smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1[nH+]cccc1NC(C)(C)C)C1CC[NH2+]CC1 ZINC000034437341 361790561 /nfs/dbraw/zinc/79/05/61/361790561.db2.gz FRAWLXSUKAAJNX-UHFFFAOYSA-N 2 2 262.401 2.480 10 0 CEAELP COc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1F ZINC000226467879 539172203 /nfs/dbraw/zinc/17/22/03/539172203.db2.gz ADJYCYQKVZJQQY-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1F ZINC000226467879 539172205 /nfs/dbraw/zinc/17/22/05/539172205.db2.gz ADJYCYQKVZJQQY-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP FC(F)(F)[C@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000220942705 344538979 /nfs/dbraw/zinc/53/89/79/344538979.db2.gz CAFKLPQYVVPXHJ-LBPRGKRZSA-N 2 2 258.287 2.270 10 0 CEAELP FC(F)(F)[C@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000220942705 344538980 /nfs/dbraw/zinc/53/89/80/344538980.db2.gz CAFKLPQYVVPXHJ-LBPRGKRZSA-N 2 2 258.287 2.270 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384561313 344828472 /nfs/dbraw/zinc/82/84/72/344828472.db2.gz KBFMIQZQIHRIQO-KFWWJZLASA-N 2 2 254.418 2.002 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384561313 344828473 /nfs/dbraw/zinc/82/84/73/344828473.db2.gz KBFMIQZQIHRIQO-KFWWJZLASA-N 2 2 254.418 2.002 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](CCO)C2)c(C)c1 ZINC000384426104 344828505 /nfs/dbraw/zinc/82/85/05/344828505.db2.gz ULJKWJJYNGXIAE-INIZCTEOSA-N 2 2 276.424 2.158 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)c(C)c1 ZINC000384426104 344828508 /nfs/dbraw/zinc/82/85/08/344828508.db2.gz ULJKWJJYNGXIAE-INIZCTEOSA-N 2 2 276.424 2.158 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000178288082 232369956 /nfs/dbraw/zinc/36/99/56/232369956.db2.gz DQXLVCHZBKGMJG-OAHLLOKOSA-N 2 2 263.385 2.083 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000178288082 232369959 /nfs/dbraw/zinc/36/99/59/232369959.db2.gz DQXLVCHZBKGMJG-OAHLLOKOSA-N 2 2 263.385 2.083 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@](C)(O)C[NH3+] ZINC000085304532 179011420 /nfs/dbraw/zinc/01/14/20/179011420.db2.gz KDSXEKGFWZTMEV-NHYWBVRUSA-N 2 2 261.369 2.260 10 0 CEAELP Cc1[nH+]c2ccccc2n1CCCC[C@](C)(O)C[NH3+] ZINC000085304611 179012102 /nfs/dbraw/zinc/01/21/02/179012102.db2.gz GXLMQHZRQJOHIP-HNNXBMFYSA-N 2 2 261.369 2.225 10 0 CEAELP CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085474879 179078715 /nfs/dbraw/zinc/07/87/15/179078715.db2.gz OOLUYTBXTQWRSI-UONOGXRCSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085474879 179078717 /nfs/dbraw/zinc/07/87/17/179078717.db2.gz OOLUYTBXTQWRSI-UONOGXRCSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[N@H+](C[C@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085471475 179076035 /nfs/dbraw/zinc/07/60/35/179076035.db2.gz DIKMSRWEPJKOFO-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[N@@H+](C[C@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085471475 179076037 /nfs/dbraw/zinc/07/60/37/179076037.db2.gz DIKMSRWEPJKOFO-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1CCCn1cc[nH+]c1 ZINC000085504281 179084916 /nfs/dbraw/zinc/08/49/16/179084916.db2.gz FCCLBVGNOXKQSH-NVXWUHKLSA-N 2 2 284.407 2.308 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512265 179086740 /nfs/dbraw/zinc/08/67/40/179086740.db2.gz IRLAFZJSIIZGRP-JYJNAYRXSA-N 2 2 266.429 2.264 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085512265 179086742 /nfs/dbraw/zinc/08/67/42/179086742.db2.gz IRLAFZJSIIZGRP-JYJNAYRXSA-N 2 2 266.429 2.264 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608809 179101837 /nfs/dbraw/zinc/10/18/37/179101837.db2.gz UYLXUDFCVMSJTM-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608809 179101838 /nfs/dbraw/zinc/10/18/38/179101838.db2.gz UYLXUDFCVMSJTM-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP COc1ccc(C[N@@H+]2C[C@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620711 179105241 /nfs/dbraw/zinc/10/52/41/179105241.db2.gz XKRWAIDOSAPOIQ-RYUDHWBXSA-N 2 2 266.360 2.407 10 0 CEAELP COc1ccc(C[N@H+]2C[C@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620711 179105243 /nfs/dbraw/zinc/10/52/43/179105243.db2.gz XKRWAIDOSAPOIQ-RYUDHWBXSA-N 2 2 266.360 2.407 10 0 CEAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000085622313 179106189 /nfs/dbraw/zinc/10/61/89/179106189.db2.gz RCSXZDQWTUWTIF-CYBMUJFWSA-N 2 2 255.365 2.419 10 0 CEAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccccc2n1 ZINC000085622313 179106192 /nfs/dbraw/zinc/10/61/92/179106192.db2.gz RCSXZDQWTUWTIF-CYBMUJFWSA-N 2 2 255.365 2.419 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085626269 179106503 /nfs/dbraw/zinc/10/65/03/179106503.db2.gz OVFZBXPXQRQYQS-PWSUYJOCSA-N 2 2 280.334 2.028 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085626269 179106505 /nfs/dbraw/zinc/10/65/05/179106505.db2.gz OVFZBXPXQRQYQS-PWSUYJOCSA-N 2 2 280.334 2.028 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631010 179107693 /nfs/dbraw/zinc/10/76/93/179107693.db2.gz PPAAMOXWTUWCAX-BARDWOONSA-N 2 2 268.445 2.366 10 0 CEAELP C[NH2+][C@@H](Cc1cc(Br)ccc1F)C[NH+](C)C ZINC000085798629 179173201 /nfs/dbraw/zinc/17/32/01/179173201.db2.gz DGHOICVDEICGGV-NSHDSACASA-N 2 2 289.192 2.280 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@H+](C)Cc1scnc1C ZINC000086120827 179234752 /nfs/dbraw/zinc/23/47/52/179234752.db2.gz XHZZUIXMIBKHGN-CYBMUJFWSA-N 2 2 253.415 2.401 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@@H+](C)Cc1scnc1C ZINC000086120827 179234755 /nfs/dbraw/zinc/23/47/55/179234755.db2.gz XHZZUIXMIBKHGN-CYBMUJFWSA-N 2 2 253.415 2.401 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086091900 179228821 /nfs/dbraw/zinc/22/88/21/179228821.db2.gz VEOUUEDAOYHTHJ-BZPMIXESSA-N 2 2 264.417 2.400 10 0 CEAELP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264854 179260929 /nfs/dbraw/zinc/26/09/29/179260929.db2.gz BBSYSHODQRVALB-WMLDXEAASA-N 2 2 284.407 2.129 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265252 179262059 /nfs/dbraw/zinc/26/20/59/179262059.db2.gz BBXJXJSDXZVUHB-HUUCEWRRSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1[C@@H]1CCCOC1 ZINC000086265252 179262062 /nfs/dbraw/zinc/26/20/62/179262062.db2.gz BBXJXJSDXZVUHB-HUUCEWRRSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290048 179264852 /nfs/dbraw/zinc/26/48/52/179264852.db2.gz FKWBCRGQLWZRRS-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290048 179264854 /nfs/dbraw/zinc/26/48/54/179264854.db2.gz FKWBCRGQLWZRRS-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)ccn1 ZINC000086296359 179268324 /nfs/dbraw/zinc/26/83/24/179268324.db2.gz HBGLVQAQMRHCGX-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)ccn1 ZINC000086296359 179268327 /nfs/dbraw/zinc/26/83/27/179268327.db2.gz HBGLVQAQMRHCGX-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1ccccc1Br ZINC000086486116 179301582 /nfs/dbraw/zinc/30/15/82/179301582.db2.gz JCQYQHUUUILNRY-NSHDSACASA-N 2 2 280.169 2.425 10 0 CEAELP C[C@H](C[NH3+])C[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577489 179308507 /nfs/dbraw/zinc/30/85/07/179308507.db2.gz BMXAOCFUNRREBS-OAHLLOKOSA-N 2 2 295.471 2.086 10 0 CEAELP C[C@@H]1CCC[C@]1(C[NH3+])[N@@H+]1CCOc2ccccc2C1 ZINC000086677259 179319059 /nfs/dbraw/zinc/31/90/59/179319059.db2.gz QFFQRUVLQIRTLU-CZUORRHYSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@@H]1CCC[C@]1(C[NH3+])[N@H+]1CCOc2ccccc2C1 ZINC000086677259 179319062 /nfs/dbraw/zinc/31/90/62/179319062.db2.gz QFFQRUVLQIRTLU-CZUORRHYSA-N 2 2 260.381 2.399 10 0 CEAELP C[NH+](C)C1(C[NH2+][C@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC000086817203 179344621 /nfs/dbraw/zinc/34/46/21/179344621.db2.gz QKXMHQGMQZYDCW-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP C[NH+](C)C1(C[NH2+][C@H]2CCC[N@@H+](C)CC2)CCCCC1 ZINC000086817203 179344623 /nfs/dbraw/zinc/34/46/23/179344623.db2.gz QKXMHQGMQZYDCW-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836298 179351562 /nfs/dbraw/zinc/35/15/62/179351562.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836298 179351563 /nfs/dbraw/zinc/35/15/63/179351563.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842879 179353090 /nfs/dbraw/zinc/35/30/90/179353090.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842879 179353091 /nfs/dbraw/zinc/35/30/91/179353091.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 3 2 269.477 2.425 10 0 CEAELP CC1(C)CCC[C@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913318 179367261 /nfs/dbraw/zinc/36/72/61/179367261.db2.gz USENLFISJDBJFZ-INIZCTEOSA-N 2 2 276.428 2.387 10 0 CEAELP C[C@H]1C[C@](C[NH3+])([N@H+](C)Cc2cccs2)CS1 ZINC000086936655 179368027 /nfs/dbraw/zinc/36/80/27/179368027.db2.gz VULDOCJGQNWHPW-CMPLNLGQSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@H]1C[C@](C[NH3+])([N@@H+](C)Cc2cccs2)CS1 ZINC000086936655 179368028 /nfs/dbraw/zinc/36/80/28/179368028.db2.gz VULDOCJGQNWHPW-CMPLNLGQSA-N 2 2 256.440 2.403 10 0 CEAELP CCC[C@H]1CCC[C@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952248 179368883 /nfs/dbraw/zinc/36/88/83/179368883.db2.gz ATFRPCCYEIIOFE-GJZGRUSLSA-N 2 2 256.434 2.249 10 0 CEAELP CCOc1cc([NH2+]CCCC[NH+](C)C)ccc1N ZINC000104237149 185939527 /nfs/dbraw/zinc/93/95/27/185939527.db2.gz SYYMUTSBXBKKHV-UHFFFAOYSA-N 2 2 251.374 2.421 10 0 CEAELP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1Cc2ccccc2O1 ZINC000090874004 180050125 /nfs/dbraw/zinc/05/01/25/180050125.db2.gz NLFLIVCGZLLJMM-QGZVFWFLSA-N 2 2 282.387 2.451 10 0 CEAELP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1Cc2ccccc2O1 ZINC000090874004 180050127 /nfs/dbraw/zinc/05/01/27/180050127.db2.gz NLFLIVCGZLLJMM-QGZVFWFLSA-N 2 2 282.387 2.451 10 0 CEAELP CC[N@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876257 180051044 /nfs/dbraw/zinc/05/10/44/180051044.db2.gz NRHPJWGEWRLXCA-HUUCEWRRSA-N 2 2 260.381 2.064 10 0 CEAELP CC[N@@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876257 180051045 /nfs/dbraw/zinc/05/10/45/180051045.db2.gz NRHPJWGEWRLXCA-HUUCEWRRSA-N 2 2 260.381 2.064 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892413 180053976 /nfs/dbraw/zinc/05/39/76/180053976.db2.gz HFDAPWSPECPTIC-HUUCEWRRSA-N 2 2 280.387 2.305 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907867 180061941 /nfs/dbraw/zinc/06/19/41/180061941.db2.gz HCBGBSKQDBUCKZ-GASCZTMLSA-N 2 2 278.396 2.388 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907867 180061942 /nfs/dbraw/zinc/06/19/42/180061942.db2.gz HCBGBSKQDBUCKZ-GASCZTMLSA-N 2 2 278.396 2.388 10 0 CEAELP CCC[C@@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908659 180062087 /nfs/dbraw/zinc/06/20/87/180062087.db2.gz BMNUOZQLTFYZMI-QLFBSQMISA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908659 180062089 /nfs/dbraw/zinc/06/20/89/180062089.db2.gz BMNUOZQLTFYZMI-QLFBSQMISA-N 2 2 252.402 2.020 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907571 180062136 /nfs/dbraw/zinc/06/21/36/180062136.db2.gz TUNMQGBWVXFWSO-OKILXGFUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907571 180062139 /nfs/dbraw/zinc/06/21/39/180062139.db2.gz TUNMQGBWVXFWSO-OKILXGFUSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907475 180062279 /nfs/dbraw/zinc/06/22/79/180062279.db2.gz QYTHJICAFRAKFX-ZNMIVQPWSA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907475 180062281 /nfs/dbraw/zinc/06/22/81/180062281.db2.gz QYTHJICAFRAKFX-ZNMIVQPWSA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+]Cc1nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)cs1 ZINC000090930386 180063822 /nfs/dbraw/zinc/06/38/22/180063822.db2.gz SVHVRAWCAPHIIW-UHFFFAOYSA-N 2 2 299.359 2.040 10 0 CEAELP CCOCC[N@H+](CC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958671 180074429 /nfs/dbraw/zinc/07/44/29/180074429.db2.gz FDPYJADCDGUZRU-SNVBAGLBSA-N 2 2 257.403 2.021 10 0 CEAELP CCOCC[N@@H+](CC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958671 180074430 /nfs/dbraw/zinc/07/44/30/180074430.db2.gz FDPYJADCDGUZRU-SNVBAGLBSA-N 2 2 257.403 2.021 10 0 CEAELP CC(=O)Nc1ccccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000090962082 180076040 /nfs/dbraw/zinc/07/60/40/180076040.db2.gz ONCLRWYARNPCJV-LBPRGKRZSA-N 2 2 272.352 2.020 10 0 CEAELP C[C@@H]([NH3+])Cc1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091005322 180084768 /nfs/dbraw/zinc/08/47/68/180084768.db2.gz LEXFCBJWXKNCKT-GFCCVEGCSA-N 2 2 254.337 2.074 10 0 CEAELP [NH3+]C[C@@H](CC(=O)NC1CC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000091319803 180133906 /nfs/dbraw/zinc/13/39/06/180133906.db2.gz ZOURPTNJSQKSAW-OAHLLOKOSA-N 2 2 293.455 2.029 10 0 CEAELP CCN(Cc1ccncc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276387 180120512 /nfs/dbraw/zinc/12/05/12/180120512.db2.gz LTOHROUFSZNIHM-HNNXBMFYSA-N 2 2 285.395 2.135 10 0 CEAELP C[NH2+]Cc1cc(Cl)c(OCc2c[nH+]cn2C)c(OC)c1 ZINC000091278247 180121282 /nfs/dbraw/zinc/12/12/82/180121282.db2.gz MUNXMUYFKBNRKO-UHFFFAOYSA-N 2 2 295.770 2.381 10 0 CEAELP C[NH2+]Cc1cc(Cl)ccc1OCc1c[nH+]cn1C ZINC000091278271 180121294 /nfs/dbraw/zinc/12/12/94/180121294.db2.gz OIFCIBVIBZCRFU-UHFFFAOYSA-N 2 2 265.744 2.372 10 0 CEAELP CCOc1cccc(C[NH2+]C)c1OCc1c[nH+]cn1C ZINC000091278293 180121392 /nfs/dbraw/zinc/12/13/92/180121392.db2.gz OPPJHEUIMGRAED-UHFFFAOYSA-N 2 2 275.352 2.117 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@@H]1C[NH2+]CCO1)n2C(C)C ZINC000091293201 180124322 /nfs/dbraw/zinc/12/43/22/180124322.db2.gz PLFHCWJNCRLGHV-CYBMUJFWSA-N 2 2 273.380 2.457 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@H+](C)CC1CC(O)C1 ZINC000091459707 180161146 /nfs/dbraw/zinc/16/11/46/180161146.db2.gz CCTTUMPSUGGASJ-WXUJTKTDSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091459707 180161148 /nfs/dbraw/zinc/16/11/48/180161148.db2.gz CCTTUMPSUGGASJ-WXUJTKTDSA-N 2 2 282.815 2.431 10 0 CEAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091462841 180162416 /nfs/dbraw/zinc/16/24/16/180162416.db2.gz ZVWZWXOXNAWALJ-IKWCTNDRSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091462841 180162419 /nfs/dbraw/zinc/16/24/19/180162419.db2.gz ZVWZWXOXNAWALJ-IKWCTNDRSA-N 2 2 268.426 2.148 10 0 CEAELP CC(C)([C@@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCCC1 ZINC000091567531 180194666 /nfs/dbraw/zinc/19/46/66/180194666.db2.gz VQHVPEZLAJRMQI-AWEZNQCLSA-N 2 2 277.412 2.222 10 0 CEAELP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@](C)(CC)[NH+](C)C ZINC000091571799 180196206 /nfs/dbraw/zinc/19/62/06/180196206.db2.gz HXEBXYUBJYJXQB-CVEARBPZSA-N 3 2 278.444 2.305 10 0 CEAELP CC[C@@](C)([C@@H](N)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609139 180205931 /nfs/dbraw/zinc/20/59/31/180205931.db2.gz MLKXPDJOYCDVSL-GJZGRUSLSA-N 2 2 262.401 2.318 10 0 CEAELP CC[C@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609682 180206015 /nfs/dbraw/zinc/20/60/15/180206015.db2.gz XSKMDPSOOPTRCT-IAGOWNOFSA-N 3 2 290.455 2.449 10 0 CEAELP Cc1nc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)cs1 ZINC000091533946 180181444 /nfs/dbraw/zinc/18/14/44/180181444.db2.gz OIHAGSVVHRRPCC-LBPRGKRZSA-N 2 2 253.415 2.196 10 0 CEAELP CCC(CC)([C@@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091634733 180211701 /nfs/dbraw/zinc/21/17/01/180211701.db2.gz RGRFZXROAGWXFN-AWEZNQCLSA-N 2 2 276.428 2.188 10 0 CEAELP C[NH+](C)C1([C@H]([NH3+])C2CCOCC2)CCCCCC1 ZINC000091654052 180216814 /nfs/dbraw/zinc/21/68/14/180216814.db2.gz JKEUELSEEKJKRQ-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1nccn1C ZINC000091716826 180232637 /nfs/dbraw/zinc/23/26/37/180232637.db2.gz MTCKQYCHWAEPBC-ZDUSSCGKSA-N 2 2 252.406 2.193 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721321 180237684 /nfs/dbraw/zinc/23/76/84/180237684.db2.gz AIRXRNNGUODDBF-UHOFOFEASA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721321 180237686 /nfs/dbraw/zinc/23/76/86/180237686.db2.gz AIRXRNNGUODDBF-UHOFOFEASA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721461 180238387 /nfs/dbraw/zinc/23/83/87/180238387.db2.gz FMZAXTBTUODTTN-XOKHGSTOSA-N 2 2 290.407 2.127 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1OC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721461 180238388 /nfs/dbraw/zinc/23/83/88/180238388.db2.gz FMZAXTBTUODTTN-XOKHGSTOSA-N 2 2 290.407 2.127 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cnn(C)c1)n1cc[nH+]c1-c1ccccc1 ZINC000105554331 186063308 /nfs/dbraw/zinc/06/33/08/186063308.db2.gz KKFFRHIVBAXZCC-SWLSCSKDSA-N 2 2 281.363 2.220 10 0 CEAELP CC[NH2+][C@H]1CCCc2nc([C@H]3C[N@H+](C)CCO3)sc21 ZINC000091722469 180241066 /nfs/dbraw/zinc/24/10/66/180241066.db2.gz SXOIIJBXNRBQRX-CMPLNLGQSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@H]1CCCc2nc([C@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722469 180241067 /nfs/dbraw/zinc/24/10/67/180241067.db2.gz SXOIIJBXNRBQRX-CMPLNLGQSA-N 2 2 281.425 2.133 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926550 180287305 /nfs/dbraw/zinc/28/73/05/180287305.db2.gz YQNLXONSJSOSCU-INIZCTEOSA-N 2 2 285.391 2.241 10 0 CEAELP CCC1CCC(C[NH3+])([C@H](O)c2c[nH+]cn2CC)CC1 ZINC000091926321 180287437 /nfs/dbraw/zinc/28/74/37/180287437.db2.gz AJEXLEFLWYLEDB-HNFVBEJKSA-N 2 2 265.401 2.482 10 0 CEAELP C[N@@H+]1CCO[C@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054522 180313932 /nfs/dbraw/zinc/31/39/32/180313932.db2.gz CHHVOCVGDUHGOK-INIZCTEOSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054522 180313934 /nfs/dbraw/zinc/31/39/34/180313934.db2.gz CHHVOCVGDUHGOK-INIZCTEOSA-N 2 2 292.423 2.284 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1COc2ccccc21 ZINC000092306329 180360238 /nfs/dbraw/zinc/36/02/38/180360238.db2.gz MOIAXUDKQUKWGG-QWHCGFSZSA-N 2 2 271.364 2.339 10 0 CEAELP Cc1cc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc[nH+]1 ZINC000092349789 180367047 /nfs/dbraw/zinc/36/70/47/180367047.db2.gz PIAMLPHMTKLUNO-HNNXBMFYSA-N 2 2 267.332 2.216 10 0 CEAELP CCNc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000092370609 180369719 /nfs/dbraw/zinc/36/97/19/180369719.db2.gz VQPWIZUQHLMMCY-HNNXBMFYSA-N 2 2 274.412 2.184 10 0 CEAELP CC[NH+](CC)[C@H]1CCN(Cc2cccc(NC)[nH+]2)C1 ZINC000092370597 180369785 /nfs/dbraw/zinc/36/97/85/180369785.db2.gz GWTORIFGOTXEKK-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515415 365964900 /nfs/dbraw/zinc/96/49/00/365964900.db2.gz JZCSGQMTGPOREW-DZGCQCFKSA-N 2 2 262.397 2.397 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515415 365964902 /nfs/dbraw/zinc/96/49/02/365964902.db2.gz JZCSGQMTGPOREW-DZGCQCFKSA-N 2 2 262.397 2.397 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000110459641 186297098 /nfs/dbraw/zinc/29/70/98/186297098.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000110459641 186297100 /nfs/dbraw/zinc/29/71/00/186297100.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000110459641 186297102 /nfs/dbraw/zinc/29/71/02/186297102.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000110459641 186297104 /nfs/dbraw/zinc/29/71/04/186297104.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110938396 186334298 /nfs/dbraw/zinc/33/42/98/186334298.db2.gz XQVJNQFAGMGNGI-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110938396 186334299 /nfs/dbraw/zinc/33/42/99/186334299.db2.gz XQVJNQFAGMGNGI-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CC[N@H+](CCOc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944925 186335515 /nfs/dbraw/zinc/33/55/15/186335515.db2.gz OYROVHQPLJGYJG-HNNXBMFYSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](CCOc1ccc(C)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944925 186335517 /nfs/dbraw/zinc/33/55/17/186335517.db2.gz OYROVHQPLJGYJG-HNNXBMFYSA-N 2 2 262.397 2.448 10 0 CEAELP CCC[N@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110945765 186335980 /nfs/dbraw/zinc/33/59/80/186335980.db2.gz VVVNDRQBSGCUEN-INIZCTEOSA-N 2 2 290.407 2.437 10 0 CEAELP CCC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110945765 186335982 /nfs/dbraw/zinc/33/59/82/186335982.db2.gz VVVNDRQBSGCUEN-INIZCTEOSA-N 2 2 290.407 2.437 10 0 CEAELP CC[C@H]1C[N@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110753590 186320735 /nfs/dbraw/zinc/32/07/35/186320735.db2.gz CFYRIYSUBRVJBQ-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110753590 186320737 /nfs/dbraw/zinc/32/07/37/186320737.db2.gz CFYRIYSUBRVJBQ-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154443 186361239 /nfs/dbraw/zinc/36/12/39/186361239.db2.gz XTZUFTNOBKTMCP-KCQAQPDRSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154443 186361240 /nfs/dbraw/zinc/36/12/40/186361240.db2.gz XTZUFTNOBKTMCP-KCQAQPDRSA-N 2 2 266.385 2.416 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116747 186353254 /nfs/dbraw/zinc/35/32/54/186353254.db2.gz DDFJFTSYPPZTNG-CZUORRHYSA-N 2 2 280.412 2.442 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116747 186353256 /nfs/dbraw/zinc/35/32/56/186353256.db2.gz DDFJFTSYPPZTNG-CZUORRHYSA-N 2 2 280.412 2.442 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000111148128 186358506 /nfs/dbraw/zinc/35/85/06/186358506.db2.gz OACIRFITWOCLAB-WBVHZDCISA-N 3 2 277.456 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000111148128 186358507 /nfs/dbraw/zinc/35/85/07/186358507.db2.gz OACIRFITWOCLAB-WBVHZDCISA-N 3 2 277.456 2.467 10 0 CEAELP CC[C@H]1CCC(=O)[C@@H](C[N@H+](C)CCC[NH+](C)C)C1 ZINC000111146572 186358649 /nfs/dbraw/zinc/35/86/49/186358649.db2.gz VUCKBUPKDDXVLT-UONOGXRCSA-N 2 2 254.418 2.265 10 0 CEAELP CC[C@H]1CCC(=O)[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000111146572 186358651 /nfs/dbraw/zinc/35/86/51/186358651.db2.gz VUCKBUPKDDXVLT-UONOGXRCSA-N 2 2 254.418 2.265 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154587 186360043 /nfs/dbraw/zinc/36/00/43/186360043.db2.gz DMTYUFRHPUSYLM-BPUTZDHNSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154587 186360045 /nfs/dbraw/zinc/36/00/45/186360045.db2.gz DMTYUFRHPUSYLM-BPUTZDHNSA-N 2 2 277.412 2.218 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154786 186360225 /nfs/dbraw/zinc/36/02/25/186360225.db2.gz PSLPJXQZLMPQHU-YDHLFZDLSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154786 186360228 /nfs/dbraw/zinc/36/02/28/186360228.db2.gz PSLPJXQZLMPQHU-YDHLFZDLSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1[nH+]c(-c2ccc(F)cc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000070455950 363085018 /nfs/dbraw/zinc/08/50/18/363085018.db2.gz NPWYHUXTLULRPY-CQSZACIVSA-N 2 2 286.354 2.437 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000252644360 539884565 /nfs/dbraw/zinc/88/45/65/539884565.db2.gz OMQMWLNEVOWRAV-QLFBSQMISA-N 2 2 254.418 2.123 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000252644360 539884569 /nfs/dbraw/zinc/88/45/69/539884569.db2.gz OMQMWLNEVOWRAV-QLFBSQMISA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1 ZINC000685947460 540639207 /nfs/dbraw/zinc/63/92/07/540639207.db2.gz VVBTZHVCSWNLNM-CABCVRRESA-N 2 2 290.407 2.096 10 0 CEAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177266667 189040199 /nfs/dbraw/zinc/04/01/99/189040199.db2.gz FMRQDHRNSVXFIW-HOTGVXAUSA-N 2 2 298.390 2.411 10 0 CEAELP c1cn(-c2ccc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177266667 189040200 /nfs/dbraw/zinc/04/02/00/189040200.db2.gz FMRQDHRNSVXFIW-HOTGVXAUSA-N 2 2 298.390 2.411 10 0 CEAELP Cc1cnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178288382 189103318 /nfs/dbraw/zinc/10/33/18/189103318.db2.gz MKKCMMDBMARJCV-CYBMUJFWSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1cnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178288382 189103319 /nfs/dbraw/zinc/10/33/19/189103319.db2.gz MKKCMMDBMARJCV-CYBMUJFWSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844386 367586033 /nfs/dbraw/zinc/58/60/33/367586033.db2.gz IHBNTUYLIDVBSQ-PWSUYJOCSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844386 367586041 /nfs/dbraw/zinc/58/60/41/367586041.db2.gz IHBNTUYLIDVBSQ-PWSUYJOCSA-N 2 2 295.814 2.114 10 0 CEAELP CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434064 367742170 /nfs/dbraw/zinc/74/21/70/367742170.db2.gz ZWSOMUCAZAZOAG-ZIAGYGMSSA-N 2 2 291.395 2.075 10 0 CEAELP CC[C@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434064 367742173 /nfs/dbraw/zinc/74/21/73/367742173.db2.gz ZWSOMUCAZAZOAG-ZIAGYGMSSA-N 2 2 291.395 2.075 10 0 CEAELP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+]1CCOC ZINC000176922276 368254749 /nfs/dbraw/zinc/25/47/49/368254749.db2.gz DWARPCYQYBHLEB-GFCCVEGCSA-N 2 2 283.803 2.282 10 0 CEAELP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1CCOC ZINC000176922276 368254753 /nfs/dbraw/zinc/25/47/53/368254753.db2.gz DWARPCYQYBHLEB-GFCCVEGCSA-N 2 2 283.803 2.282 10 0 CEAELP C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182026403 368516604 /nfs/dbraw/zinc/51/66/04/368516604.db2.gz QKQGWDPRNOVQRK-NVXWUHKLSA-N 2 2 276.424 2.128 10 0 CEAELP O[C@H](C[NH2+][C@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721954 369846117 /nfs/dbraw/zinc/84/61/17/369846117.db2.gz KECQZYCZENWYDY-HIFRSBDPSA-N 2 2 278.396 2.093 10 0 CEAELP C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231670859 370486818 /nfs/dbraw/zinc/48/68/18/370486818.db2.gz UXGOMUMTDJKNLZ-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231670859 370486828 /nfs/dbraw/zinc/48/68/28/370486828.db2.gz UXGOMUMTDJKNLZ-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246811776 371015785 /nfs/dbraw/zinc/01/57/85/371015785.db2.gz AAGSHQIDJUBZII-KBPBESRZSA-N 2 2 291.395 2.157 10 0 CEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246811776 371015789 /nfs/dbraw/zinc/01/57/89/371015789.db2.gz AAGSHQIDJUBZII-KBPBESRZSA-N 2 2 291.395 2.157 10 0 CEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000261920111 371771118 /nfs/dbraw/zinc/77/11/18/371771118.db2.gz BOKXMVHOZIDDIZ-DZGCQCFKSA-N 2 2 262.397 2.483 10 0 CEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000261920111 371771122 /nfs/dbraw/zinc/77/11/22/371771122.db2.gz BOKXMVHOZIDDIZ-DZGCQCFKSA-N 2 2 262.397 2.483 10 0 CEAELP c1c[nH]c(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000374608864 374612650 /nfs/dbraw/zinc/61/26/50/374612650.db2.gz XPLTYLIEJCVBFN-ULQDDVLXSA-N 2 2 296.418 2.410 10 0 CEAELP c1c[nH]c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000374608864 374612654 /nfs/dbraw/zinc/61/26/54/374612654.db2.gz XPLTYLIEJCVBFN-ULQDDVLXSA-N 2 2 296.418 2.410 10 0 CEAELP Cc1scc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1C ZINC000399951209 375371506 /nfs/dbraw/zinc/37/15/06/375371506.db2.gz ZTXWTRQXNRYCBH-HNNXBMFYSA-N 2 2 282.453 2.301 10 0 CEAELP Cc1nc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302046562 379319077 /nfs/dbraw/zinc/31/90/77/379319077.db2.gz LBAXXTRZUGTZJM-GXTWGEPZSA-N 2 2 286.423 2.337 10 0 CEAELP Cc1nc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302046562 379319088 /nfs/dbraw/zinc/31/90/88/379319088.db2.gz LBAXXTRZUGTZJM-GXTWGEPZSA-N 2 2 286.423 2.337 10 0 CEAELP CC[N@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000302740305 379442391 /nfs/dbraw/zinc/44/23/91/379442391.db2.gz CNDORTXSKXYAMV-OAHLLOKOSA-N 2 2 297.406 2.377 10 0 CEAELP CC[N@@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000302740305 379442398 /nfs/dbraw/zinc/44/23/98/379442398.db2.gz CNDORTXSKXYAMV-OAHLLOKOSA-N 2 2 297.406 2.377 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1C)[C@H]1C[N@H+](CC)CCO1 ZINC000093914895 184742371 /nfs/dbraw/zinc/74/23/71/184742371.db2.gz GSBGEPMRYVASDM-DLBZAZTESA-N 2 2 276.424 2.236 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1C)[C@H]1C[N@@H+](CC)CCO1 ZINC000093914895 184742372 /nfs/dbraw/zinc/74/23/72/184742372.db2.gz GSBGEPMRYVASDM-DLBZAZTESA-N 2 2 276.424 2.236 10 0 CEAELP Cc1cccc([C@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1C ZINC000093926071 184744757 /nfs/dbraw/zinc/74/47/57/184744757.db2.gz QXEABPCRWNNVBD-CVEARBPZSA-N 2 2 262.397 2.412 10 0 CEAELP Cc1cccc([C@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1C ZINC000093926071 184744758 /nfs/dbraw/zinc/74/47/58/184744758.db2.gz QXEABPCRWNNVBD-CVEARBPZSA-N 2 2 262.397 2.412 10 0 CEAELP C[C@H]1CC(=[NH2+])N[NH+]=C1c1ccc2c(c1)CCCN2C ZINC000084239807 135032927 /nfs/dbraw/zinc/03/29/27/135032927.db2.gz ZVUAGFPJCDNHAS-JTQLQIEISA-N 2 2 256.353 2.170 10 0 CEAELP CCc1cc(N2CCCC[C@H]2[C@@H](C)[NH2+]C)nc(C)[nH+]1 ZINC000088759729 135056958 /nfs/dbraw/zinc/05/69/58/135056958.db2.gz DSKXWOLCHIFXHU-RISCZKNCSA-N 2 2 262.401 2.314 10 0 CEAELP OC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089490408 135059397 /nfs/dbraw/zinc/05/93/97/135059397.db2.gz XUGIMVFFTAHACC-GJZGRUSLSA-N 2 2 289.423 2.049 10 0 CEAELP C[C@H](C[NH3+])[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000093068719 135078804 /nfs/dbraw/zinc/07/88/04/135078804.db2.gz UKHXLAYPUYQFCU-OLZOCXBDSA-N 2 2 281.831 2.445 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355626 401493579 /nfs/dbraw/zinc/49/35/79/401493579.db2.gz BNIXYRLFGUFDGH-KGLIPLIRSA-N 2 2 264.417 2.413 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355626 401493583 /nfs/dbraw/zinc/49/35/83/401493583.db2.gz BNIXYRLFGUFDGH-KGLIPLIRSA-N 2 2 264.417 2.413 10 0 CEAELP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000228089961 153359482 /nfs/dbraw/zinc/35/94/82/153359482.db2.gz XWZXKOKINBPOKS-YQQAZPJKSA-N 2 2 276.424 2.052 10 0 CEAELP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000228089961 153359490 /nfs/dbraw/zinc/35/94/90/153359490.db2.gz XWZXKOKINBPOKS-YQQAZPJKSA-N 2 2 276.424 2.052 10 0 CEAELP COCCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178288035 165231556 /nfs/dbraw/zinc/23/15/56/165231556.db2.gz JUCPNVFMAYKWLB-AWEZNQCLSA-N 2 2 251.374 2.083 10 0 CEAELP COCCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178288035 165231561 /nfs/dbraw/zinc/23/15/61/165231561.db2.gz JUCPNVFMAYKWLB-AWEZNQCLSA-N 2 2 251.374 2.083 10 0 CEAELP [NH3+][C@H](CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000020273984 171131146 /nfs/dbraw/zinc/13/11/46/171131146.db2.gz DAOCCUAIYMYOLG-CYBMUJFWSA-N 2 2 299.212 2.171 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174518 173009118 /nfs/dbraw/zinc/00/91/18/173009118.db2.gz LJKQYFLWBZGBHZ-OCCSQVGLSA-N 2 2 266.410 2.132 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174518 173009120 /nfs/dbraw/zinc/00/91/20/173009120.db2.gz LJKQYFLWBZGBHZ-OCCSQVGLSA-N 2 2 266.410 2.132 10 0 CEAELP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000038046862 174055832 /nfs/dbraw/zinc/05/58/32/174055832.db2.gz FLKOHKXSNRDBRV-CQSZACIVSA-N 2 2 286.423 2.488 10 0 CEAELP CCCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000038046862 174055835 /nfs/dbraw/zinc/05/58/35/174055835.db2.gz FLKOHKXSNRDBRV-CQSZACIVSA-N 2 2 286.423 2.488 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502707 174299263 /nfs/dbraw/zinc/29/92/63/174299263.db2.gz ICTBPLOEAAUAMT-SWLSCSKDSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502707 174299265 /nfs/dbraw/zinc/29/92/65/174299265.db2.gz ICTBPLOEAAUAMT-SWLSCSKDSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510114 174304348 /nfs/dbraw/zinc/30/43/48/174304348.db2.gz KZUVUVWFILDUHC-LBPRGKRZSA-N 2 2 292.452 2.229 10 0 CEAELP CC[N@H+]1CCC[C@H]1CNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510114 174304349 /nfs/dbraw/zinc/30/43/49/174304349.db2.gz KZUVUVWFILDUHC-LBPRGKRZSA-N 2 2 292.452 2.229 10 0 CEAELP COc1cccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040638720 174363384 /nfs/dbraw/zinc/36/33/84/174363384.db2.gz YBRNRWNUOHXMAK-GFCCVEGCSA-N 2 2 259.353 2.322 10 0 CEAELP Cc1ncsc1[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639360 174363580 /nfs/dbraw/zinc/36/35/80/174363580.db2.gz BLTPCDQEPMUDED-VIFPVBQESA-N 2 2 250.371 2.078 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673181 174371328 /nfs/dbraw/zinc/37/13/28/174371328.db2.gz QBOCHLCIAIXFFL-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673181 174371329 /nfs/dbraw/zinc/37/13/29/174371329.db2.gz QBOCHLCIAIXFFL-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000040689112 174375977 /nfs/dbraw/zinc/37/59/77/174375977.db2.gz DDPRDDYWEMGCLZ-MRXNPFEDSA-N 2 2 278.396 2.196 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750003 174394838 /nfs/dbraw/zinc/39/48/38/174394838.db2.gz OMWGDSBKUCGMLI-QXMXGUDHSA-N 2 2 291.370 2.027 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1F ZINC000040750003 174394840 /nfs/dbraw/zinc/39/48/40/174394840.db2.gz OMWGDSBKUCGMLI-QXMXGUDHSA-N 2 2 291.370 2.027 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1C ZINC000043314696 175004522 /nfs/dbraw/zinc/00/45/22/175004522.db2.gz OYMVZDVWTYJSQV-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)c1C ZINC000043314696 175004524 /nfs/dbraw/zinc/00/45/24/175004524.db2.gz OYMVZDVWTYJSQV-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336134 175011881 /nfs/dbraw/zinc/01/18/81/175011881.db2.gz YLZOUAJOWMRTMO-DOMZBBRYSA-N 2 2 266.385 2.295 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336134 175011882 /nfs/dbraw/zinc/01/18/82/175011882.db2.gz YLZOUAJOWMRTMO-DOMZBBRYSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC)[C@@H](C)COC ZINC000043348593 175018570 /nfs/dbraw/zinc/01/85/70/175018570.db2.gz WMYHMTWHBOQFKV-AEGPPILISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC)[C@@H](C)COC ZINC000043348593 175018571 /nfs/dbraw/zinc/01/85/71/175018571.db2.gz WMYHMTWHBOQFKV-AEGPPILISA-N 2 2 265.401 2.217 10 0 CEAELP CCC[NH+](CCC)[C@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000043814808 175111718 /nfs/dbraw/zinc/11/17/18/175111718.db2.gz BKFNAWOKNINSOG-CABCVRRESA-N 2 2 284.444 2.382 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818863 175113873 /nfs/dbraw/zinc/11/38/73/175113873.db2.gz PAMPGNXYHBQCES-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818863 175113874 /nfs/dbraw/zinc/11/38/74/175113874.db2.gz PAMPGNXYHBQCES-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895593 175119561 /nfs/dbraw/zinc/11/95/61/175119561.db2.gz GZEKPLFGVMRXFH-KKUMJFAQSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895593 175119562 /nfs/dbraw/zinc/11/95/62/175119562.db2.gz GZEKPLFGVMRXFH-KKUMJFAQSA-N 2 2 284.444 2.236 10 0 CEAELP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)[N@H+](C)CCOC ZINC000043915579 175124940 /nfs/dbraw/zinc/12/49/40/175124940.db2.gz NAJQJODMXCLSKK-CABCVRRESA-N 2 2 250.386 2.304 10 0 CEAELP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)[N@@H+](C)CCOC ZINC000043915579 175124941 /nfs/dbraw/zinc/12/49/41/175124941.db2.gz NAJQJODMXCLSKK-CABCVRRESA-N 2 2 250.386 2.304 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043965808 175127134 /nfs/dbraw/zinc/12/71/34/175127134.db2.gz ZSFMCUNNJPGJIQ-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965808 175127135 /nfs/dbraw/zinc/12/71/35/175127135.db2.gz ZSFMCUNNJPGJIQ-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969027 175130852 /nfs/dbraw/zinc/13/08/52/175130852.db2.gz GSTJNXHUJPACAJ-YDHLFZDLSA-N 2 2 250.386 2.302 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969027 175130853 /nfs/dbraw/zinc/13/08/53/175130853.db2.gz GSTJNXHUJPACAJ-YDHLFZDLSA-N 2 2 250.386 2.302 10 0 CEAELP CCC[NH2+][C@H](C[N@H+](CCCOC)CCOC)C(C)(C)C ZINC000043971062 175131767 /nfs/dbraw/zinc/13/17/67/175131767.db2.gz IHADGKAACRFQDM-OAHLLOKOSA-N 2 2 288.476 2.386 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+](CCCOC)CCOC)C(C)(C)C ZINC000043971062 175131768 /nfs/dbraw/zinc/13/17/68/175131768.db2.gz IHADGKAACRFQDM-OAHLLOKOSA-N 2 2 288.476 2.386 10 0 CEAELP Cc1ccc([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121047 175142549 /nfs/dbraw/zinc/14/25/49/175142549.db2.gz ONNAZDDPAWKPNT-INIZCTEOSA-N 2 2 262.397 2.054 10 0 CEAELP Cc1ccc([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121047 175142551 /nfs/dbraw/zinc/14/25/51/175142551.db2.gz ONNAZDDPAWKPNT-INIZCTEOSA-N 2 2 262.397 2.054 10 0 CEAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000044746858 175242729 /nfs/dbraw/zinc/24/27/29/175242729.db2.gz YJBWPCPHWZELER-INIZCTEOSA-N 2 2 260.381 2.455 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@@](C)(C[NH3+])CCOC ZINC000045043497 175295522 /nfs/dbraw/zinc/29/55/22/175295522.db2.gz QEHLPFUVWXOXEY-CYBMUJFWSA-N 2 2 256.415 2.324 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@@](C)(C[NH3+])CCOC ZINC000045043497 175295524 /nfs/dbraw/zinc/29/55/24/175295524.db2.gz QEHLPFUVWXOXEY-CYBMUJFWSA-N 2 2 256.415 2.324 10 0 CEAELP Cc1nn(C)c(C)c1-c1c[nH]c(C2CCC([NH3+])CC2)[nH+]1 ZINC000045169541 175320010 /nfs/dbraw/zinc/32/00/10/175320010.db2.gz QWYGWVHPECGTNX-UHFFFAOYSA-N 2 2 273.384 2.412 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C ZINC000045367776 175362882 /nfs/dbraw/zinc/36/28/82/175362882.db2.gz SXZAIVBUJVPABL-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C ZINC000045367776 175362883 /nfs/dbraw/zinc/36/28/83/175362883.db2.gz SXZAIVBUJVPABL-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045368419 175363588 /nfs/dbraw/zinc/36/35/88/175363588.db2.gz LZJMCGNAUPOXRB-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCCC[N@@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045368419 175363589 /nfs/dbraw/zinc/36/35/89/175363589.db2.gz LZJMCGNAUPOXRB-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379945 175369366 /nfs/dbraw/zinc/36/93/66/175369366.db2.gz ZLVDTKALRGKIFY-MRXNPFEDSA-N 2 2 277.412 2.147 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379945 175369367 /nfs/dbraw/zinc/36/93/67/175369367.db2.gz ZLVDTKALRGKIFY-MRXNPFEDSA-N 2 2 277.412 2.147 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@H+](C)CC)[NH2+]C1CC1 ZINC000045382773 175370652 /nfs/dbraw/zinc/37/06/52/175370652.db2.gz GVMXLDRVMNOVGF-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)CC)[NH2+]C1CC1 ZINC000045382773 175370655 /nfs/dbraw/zinc/37/06/55/175370655.db2.gz GVMXLDRVMNOVGF-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393078 175375530 /nfs/dbraw/zinc/37/55/30/175375530.db2.gz PGVYKJSGNIRRRA-LRDDRELGSA-N 2 2 282.428 2.181 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C1CC1)[NH2+]C1CC1 ZINC000045393078 175375532 /nfs/dbraw/zinc/37/55/32/175375532.db2.gz PGVYKJSGNIRRRA-LRDDRELGSA-N 2 2 282.428 2.181 10 0 CEAELP CCOc1c(C[NH2+]CCc2c[nH]c[nH+]2)cccc1OC ZINC000045946265 175387871 /nfs/dbraw/zinc/38/78/71/175387871.db2.gz LKXOCWUFVCUQDQ-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP CCOc1c(C[NH2+]CCc2c[nH+]c[nH]2)cccc1OC ZINC000045946265 175387873 /nfs/dbraw/zinc/38/78/73/175387873.db2.gz LKXOCWUFVCUQDQ-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000045946998 175388079 /nfs/dbraw/zinc/38/80/79/175388079.db2.gz YEJVXBXYSRTNTK-UHFFFAOYSA-N 2 2 268.364 2.252 10 0 CEAELP CC(C)C[N@H+](CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091578 176032310 /nfs/dbraw/zinc/03/23/10/176032310.db2.gz SXNWJQAYPZQBOR-INIZCTEOSA-N 2 2 262.397 2.217 10 0 CEAELP CC(C)C[N@@H+](CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091578 176032311 /nfs/dbraw/zinc/03/23/11/176032311.db2.gz SXNWJQAYPZQBOR-INIZCTEOSA-N 2 2 262.397 2.217 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122585 176034763 /nfs/dbraw/zinc/03/47/63/176034763.db2.gz ZEAMSEUYUQTBOH-XGUBFFRZSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122585 176034764 /nfs/dbraw/zinc/03/47/64/176034764.db2.gz ZEAMSEUYUQTBOH-XGUBFFRZSA-N 2 2 254.418 2.393 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191381 176070615 /nfs/dbraw/zinc/07/06/15/176070615.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191381 176070618 /nfs/dbraw/zinc/07/06/18/176070618.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191381 176070620 /nfs/dbraw/zinc/07/06/20/176070620.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191381 176070622 /nfs/dbraw/zinc/07/06/22/176070622.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072648 /nfs/dbraw/zinc/07/26/48/176072648.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072649 /nfs/dbraw/zinc/07/26/49/176072649.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072650 /nfs/dbraw/zinc/07/26/50/176072650.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072651 /nfs/dbraw/zinc/07/26/51/176072651.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192072 176073010 /nfs/dbraw/zinc/07/30/10/176073010.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192072 176073011 /nfs/dbraw/zinc/07/30/11/176073011.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192072 176073013 /nfs/dbraw/zinc/07/30/13/176073013.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192072 176073015 /nfs/dbraw/zinc/07/30/15/176073015.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc2ccccc2n1 ZINC000071229185 176091160 /nfs/dbraw/zinc/09/11/60/176091160.db2.gz LTLSPMDFLXWKTN-UHFFFAOYSA-N 2 2 286.379 2.009 10 0 CEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc2ccccc2n1 ZINC000071229185 176091161 /nfs/dbraw/zinc/09/11/61/176091161.db2.gz LTLSPMDFLXWKTN-UHFFFAOYSA-N 2 2 286.379 2.009 10 0 CEAELP CC1(C)CN(Cc2cn3ccccc3[nH+]2)[C@H](C2CC2)C[NH2+]1 ZINC000071342824 176130444 /nfs/dbraw/zinc/13/04/44/176130444.db2.gz XPDSURXSRHKQIM-HNNXBMFYSA-N 2 2 284.407 2.297 10 0 CEAELP COCCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000071359203 176137491 /nfs/dbraw/zinc/13/74/91/176137491.db2.gz FGCZFYKNLBFFGY-MRXNPFEDSA-N 2 2 296.455 2.036 10 0 CEAELP COCCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000071359203 176137493 /nfs/dbraw/zinc/13/74/93/176137493.db2.gz FGCZFYKNLBFFGY-MRXNPFEDSA-N 2 2 296.455 2.036 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)CN1CCCn1cc[nH+]c1 ZINC000071359254 176138070 /nfs/dbraw/zinc/13/80/70/176138070.db2.gz IECJOTMUKKATPJ-HNNXBMFYSA-N 2 2 276.428 2.270 10 0 CEAELP CCOC(=O)[C@@](C)(C1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000071399834 176152147 /nfs/dbraw/zinc/15/21/47/176152147.db2.gz HCQJTQAWKACYGA-MRXNPFEDSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@](C)(C1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000071399834 176152148 /nfs/dbraw/zinc/15/21/48/176152148.db2.gz HCQJTQAWKACYGA-MRXNPFEDSA-N 2 2 282.428 2.184 10 0 CEAELP [NH3+]CCc1cn(Cc2ccc(Br)cc2)c[nH+]1 ZINC000071630713 176236525 /nfs/dbraw/zinc/23/65/25/176236525.db2.gz XIBFZTNUYWQRQT-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000309776466 270333041 /nfs/dbraw/zinc/33/30/41/270333041.db2.gz CJZVOXFXAWPLFP-DJIMGWMZSA-N 2 2 276.424 2.400 10 0 CEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000309776466 270333042 /nfs/dbraw/zinc/33/30/42/270333042.db2.gz CJZVOXFXAWPLFP-DJIMGWMZSA-N 2 2 276.424 2.400 10 0 CEAELP Fc1ccc(Br)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398385197 270358095 /nfs/dbraw/zinc/35/80/95/270358095.db2.gz XDJIIGOZAPCYCQ-VIFPVBQESA-N 2 2 287.176 2.287 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCOc3ccccc32)n1C ZINC000070143347 276900073 /nfs/dbraw/zinc/90/00/73/276900073.db2.gz WOZSRPZMJDMFJQ-AWEZNQCLSA-N 2 2 286.379 2.100 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246510332 280297973 /nfs/dbraw/zinc/29/79/73/280297973.db2.gz ZXMZZJJPKGDULD-RYUDHWBXSA-N 2 2 283.803 2.016 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246510332 280297977 /nfs/dbraw/zinc/29/79/77/280297977.db2.gz ZXMZZJJPKGDULD-RYUDHWBXSA-N 2 2 283.803 2.016 10 0 CEAELP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419882 519913600 /nfs/dbraw/zinc/91/36/00/519913600.db2.gz TYCHBLIJYGALGJ-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[NH2+]CCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419882 519913605 /nfs/dbraw/zinc/91/36/05/519913605.db2.gz TYCHBLIJYGALGJ-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000054602741 521952345 /nfs/dbraw/zinc/95/23/45/521952345.db2.gz BGXLCDMTOFUSEC-DKUMPPAJSA-N 2 2 252.402 2.160 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H]1CCCO1 ZINC000054602741 521952356 /nfs/dbraw/zinc/95/23/56/521952356.db2.gz BGXLCDMTOFUSEC-DKUMPPAJSA-N 2 2 252.402 2.160 10 0 CEAELP CC(C)(C)[NH2+]Cc1nc(Cn2cc[nH+]c2)cs1 ZINC000052575364 518768749 /nfs/dbraw/zinc/76/87/49/518768749.db2.gz AIKJLTRPYQTAOZ-UHFFFAOYSA-N 2 2 250.371 2.276 10 0 CEAELP CC(C)C[C@H]1C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000068697225 519414833 /nfs/dbraw/zinc/41/48/33/519414833.db2.gz BPWJYXYFNNNWEN-HNNXBMFYSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@H+]2CCO[C@H](C)C2)CC1 ZINC000054556950 519560468 /nfs/dbraw/zinc/56/04/68/519560468.db2.gz IXSNYYZWDVPTRY-WLYUNCDWSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000054556950 519560458 /nfs/dbraw/zinc/56/04/58/519560458.db2.gz IXSNYYZWDVPTRY-WLYUNCDWSA-N 2 2 254.418 2.251 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000054601907 519909968 /nfs/dbraw/zinc/90/99/68/519909968.db2.gz AEFNFUMQBVPCAF-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000054601907 519909972 /nfs/dbraw/zinc/90/99/72/519909972.db2.gz AEFNFUMQBVPCAF-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](CCCOC)CCOC ZINC000052543322 519976201 /nfs/dbraw/zinc/97/62/01/519976201.db2.gz MYRLYDOZTQFFNW-QGZVFWFLSA-N 2 2 294.439 2.322 10 0 CEAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](CCCOC)CCOC ZINC000052543322 519976208 /nfs/dbraw/zinc/97/62/08/519976208.db2.gz MYRLYDOZTQFFNW-QGZVFWFLSA-N 2 2 294.439 2.322 10 0 CEAELP CCC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1C)C(=O)OCC ZINC000068648827 520111260 /nfs/dbraw/zinc/11/12/60/520111260.db2.gz JTHXQPOYCJFWSE-IUODEOHRSA-N 2 2 281.400 2.464 10 0 CEAELP CCCNc1nc(N2CC[NH+](C)CC2)[nH+]c(C)c1C(C)C ZINC000061687498 520187891 /nfs/dbraw/zinc/18/78/91/520187891.db2.gz OOYKMMFLDMXVDQ-UHFFFAOYSA-N 2 2 291.443 2.482 10 0 CEAELP CCC[C@H]1CN(CCCn2cc[nH+]c2)[C@H](C(C)C)C[NH2+]1 ZINC000068700646 521222077 /nfs/dbraw/zinc/22/20/77/521222077.db2.gz KDYYIBQTPORXOK-HOTGVXAUSA-N 2 2 278.444 2.372 10 0 CEAELP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052511136 521228622 /nfs/dbraw/zinc/22/86/22/521228622.db2.gz NZAQYUUFUCNKTL-HOTGVXAUSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052511136 521228627 /nfs/dbraw/zinc/22/86/27/521228627.db2.gz NZAQYUUFUCNKTL-HOTGVXAUSA-N 2 2 262.397 2.448 10 0 CEAELP CCOC(=O)[C@](C)(C[C@@H](C)n1cc[nH+]c1CC)[NH2+]C1CC1 ZINC000068649446 521325537 /nfs/dbraw/zinc/32/55/37/521325537.db2.gz ZYKFLTBITDYKFR-WBMJQRKESA-N 2 2 293.411 2.470 10 0 CEAELP CCn1cc(C[N@@H+](CC)C(CC)(CC)C[NH3+])cn1 ZINC000050539293 521438521 /nfs/dbraw/zinc/43/85/21/521438521.db2.gz UWGDIFPUJLSUNQ-UHFFFAOYSA-N 2 2 252.406 2.242 10 0 CEAELP CCn1cc(C[N@H+](CC)C(CC)(CC)C[NH3+])cn1 ZINC000050539293 521438514 /nfs/dbraw/zinc/43/85/14/521438514.db2.gz UWGDIFPUJLSUNQ-UHFFFAOYSA-N 2 2 252.406 2.242 10 0 CEAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)COC ZINC000050558541 521473427 /nfs/dbraw/zinc/47/34/27/521473427.db2.gz XFBAUZGPKMMBSZ-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(F)c(C)c1)[C@@H](C)COC ZINC000050558541 521473433 /nfs/dbraw/zinc/47/34/33/521473433.db2.gz XFBAUZGPKMMBSZ-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]CC)C(=O)OC ZINC000068650262 521555115 /nfs/dbraw/zinc/55/51/15/521555115.db2.gz JLLXPPHINRZJNL-SWLSCSKDSA-N 2 2 281.400 2.328 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]CC)C(=O)OC ZINC000068650264 521555897 /nfs/dbraw/zinc/55/58/97/521555897.db2.gz JLLXPPHINRZJNL-IUODEOHRSA-N 2 2 281.400 2.328 10 0 CEAELP COc1c(C)c[nH+]c(COC[C@@H]2CCC[NH2+]C2)c1C ZINC000051815208 521814845 /nfs/dbraw/zinc/81/48/45/521814845.db2.gz HNAZKVGDLXLPGU-CYBMUJFWSA-N 2 2 264.369 2.223 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](CC(C)C)C(=O)OC ZINC000054602685 521954512 /nfs/dbraw/zinc/95/45/12/521954512.db2.gz ODKUDGVZNFXVCJ-DKUMPPAJSA-N 2 2 282.428 2.179 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](CC(C)C)C(=O)OC ZINC000054602685 521954517 /nfs/dbraw/zinc/95/45/17/521954517.db2.gz ODKUDGVZNFXVCJ-DKUMPPAJSA-N 2 2 282.428 2.179 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)s1 ZINC000054629142 521957331 /nfs/dbraw/zinc/95/73/31/521957331.db2.gz FICLMJFMJAJFJM-YOGCLGLASA-N 2 2 251.399 2.166 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)s1 ZINC000054629142 521957338 /nfs/dbraw/zinc/95/73/38/521957338.db2.gz FICLMJFMJAJFJM-YOGCLGLASA-N 2 2 251.399 2.166 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578495 522706705 /nfs/dbraw/zinc/70/67/05/522706705.db2.gz WQCWJHSVUFUUPH-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)Cc1ccc[nH+]c1NN ZINC000052724680 523310277 /nfs/dbraw/zinc/31/02/77/523310277.db2.gz SCOMBPJUPKZSSI-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)Cc1ccc[nH+]c1NN ZINC000052724680 523310288 /nfs/dbraw/zinc/31/02/88/523310288.db2.gz SCOMBPJUPKZSSI-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@H+](Cc1cccnc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624641 523418976 /nfs/dbraw/zinc/41/89/76/523418976.db2.gz CPHZGCVRIWLCHW-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1cccnc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624641 523418981 /nfs/dbraw/zinc/41/89/81/523418981.db2.gz CPHZGCVRIWLCHW-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP CC[C@@H]1C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022831 523467743 /nfs/dbraw/zinc/46/77/43/523467743.db2.gz IQEKNGHJAZEBKJ-KGLIPLIRSA-N 2 2 261.369 2.165 10 0 CEAELP CC[C@@H]1C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022831 523467756 /nfs/dbraw/zinc/46/77/56/523467756.db2.gz IQEKNGHJAZEBKJ-KGLIPLIRSA-N 2 2 261.369 2.165 10 0 CEAELP C[C@@H](CC[NH+](C)C)N[C@@H](c1ccco1)c1[nH+]ccn1C ZINC000049554132 524478719 /nfs/dbraw/zinc/47/87/19/524478719.db2.gz BZHSQFQADJEEBM-JSGCOSHPSA-N 2 2 276.384 2.032 10 0 CEAELP C[C@H]1CN(c2ccc([NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000062996494 524669403 /nfs/dbraw/zinc/66/94/03/524669403.db2.gz LBMKBPZBKWTQFF-BBRMVZONSA-N 2 2 259.397 2.460 10 0 CEAELP Cc1cc(N)c[nH+]c1N[C@@H](CC(C)C)C[NH+](C)C ZINC000052813190 525040482 /nfs/dbraw/zinc/04/04/82/525040482.db2.gz HFEMYMYRBDPGLR-ZDUSSCGKSA-N 2 2 250.390 2.360 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068628369 525647287 /nfs/dbraw/zinc/64/72/87/525647287.db2.gz WCYWLBQWWHPOJA-UXLLHSPISA-N 3 2 281.488 2.414 10 0 CEAELP Cc1c(C)n(CC[NH+]2CCCCC2)c2nc[nH+]c(N)c12 ZINC000049575425 525683479 /nfs/dbraw/zinc/68/34/79/525683479.db2.gz SHDJDNCLGKFRDR-UHFFFAOYSA-N 2 2 273.384 2.116 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1ccnc(C(N)=[NH2+])c1 ZINC000068762098 527172081 /nfs/dbraw/zinc/17/20/81/527172081.db2.gz AKFMQAJMGRJBMO-UHFFFAOYSA-N 2 2 265.320 2.072 10 0 CEAELP [NH3+][C@H]1CCCC[C@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000053858562 527398254 /nfs/dbraw/zinc/39/82/54/527398254.db2.gz SXNPOMZPDYDLMV-RDJZCZTQSA-N 3 2 279.472 2.454 10 0 CEAELP CC[C@H](C)[C@H]([NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000039141148 535955248 /nfs/dbraw/zinc/95/52/48/535955248.db2.gz PQVVRBLHNFXIJA-DOTOQJQBSA-N 2 2 275.440 2.490 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000133571224 652666213 /nfs/dbraw/zinc/66/62/13/652666213.db2.gz IVABATPKWNXZGI-NTZNESFSSA-N 2 2 284.350 2.382 10 0 CEAELP C[NH+](C)CC1CCN(c2cc(N)cc(Cl)[nH+]2)CC1 ZINC000229530466 721944358 /nfs/dbraw/zinc/94/43/58/721944358.db2.gz KTHNPFWWVZIPFD-UHFFFAOYSA-N 2 2 268.792 2.095 10 0 CEAELP C[N@H+](Cc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121190271 365533206 /nfs/dbraw/zinc/53/32/06/365533206.db2.gz DUODSYYBLHRFIK-UHFFFAOYSA-N 2 2 288.395 2.073 10 0 CEAELP C[N@@H+](Cc1ccco1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121190271 365533213 /nfs/dbraw/zinc/53/32/13/365533213.db2.gz DUODSYYBLHRFIK-UHFFFAOYSA-N 2 2 288.395 2.073 10 0 CEAELP c1cn([C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000096072838 185088276 /nfs/dbraw/zinc/08/82/76/185088276.db2.gz PXNWSKSJPBZLHN-IRXDYDNUSA-N 2 2 283.375 2.489 10 0 CEAELP c1cn([C@@H]2CO[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000096072838 185088277 /nfs/dbraw/zinc/08/82/77/185088277.db2.gz PXNWSKSJPBZLHN-IRXDYDNUSA-N 2 2 283.375 2.489 10 0 CEAELP Cc1[nH+]c(N2CC[NH+](Cc3ccccc3)CC2)ccc1N ZINC000036250986 361837103 /nfs/dbraw/zinc/83/71/03/361837103.db2.gz FKSNIWLLCVJNOY-UHFFFAOYSA-N 2 2 282.391 2.294 10 0 CEAELP COc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1F ZINC000226467876 539172228 /nfs/dbraw/zinc/17/22/28/539172228.db2.gz ADJYCYQKVZJQQY-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1F ZINC000226467876 539172230 /nfs/dbraw/zinc/17/22/30/539172230.db2.gz ADJYCYQKVZJQQY-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP CCn1cc[nH+]c1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000051921103 362448937 /nfs/dbraw/zinc/44/89/37/362448937.db2.gz UZSVYAFGRSLGEG-OAHLLOKOSA-N 2 2 272.396 2.296 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000399030017 344856849 /nfs/dbraw/zinc/85/68/49/344856849.db2.gz IYINWQKWIHEUNP-LBPRGKRZSA-N 2 2 282.815 2.447 10 0 CEAELP CC[NH+](CC)CC[NH2+]C[C@@H]1CCc2ccccc2N1 ZINC000584614488 344965228 /nfs/dbraw/zinc/96/52/28/344965228.db2.gz RUNHQOWNZOBOHB-HNNXBMFYSA-N 2 2 261.413 2.345 10 0 CEAELP COCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085504173 179084875 /nfs/dbraw/zinc/08/48/75/179084875.db2.gz OLAAOAHHYZPTHF-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085504173 179084876 /nfs/dbraw/zinc/08/48/76/179084876.db2.gz OLAAOAHHYZPTHF-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+][C@](C)(C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085514364 179086952 /nfs/dbraw/zinc/08/69/52/179086952.db2.gz MBKZBYOJFKJXCT-INIZCTEOSA-N 2 2 276.428 2.126 10 0 CEAELP CCC1(CC)C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085628141 179106639 /nfs/dbraw/zinc/10/66/39/179106639.db2.gz RPQOSLNEWIDHKF-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[N@@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085628141 179106640 /nfs/dbraw/zinc/10/66/40/179106640.db2.gz RPQOSLNEWIDHKF-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CCCc1nc2c(n1CCCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573042 179098525 /nfs/dbraw/zinc/09/85/25/179098525.db2.gz VNFKUHQWMBZICP-UHFFFAOYSA-N 2 2 287.411 2.158 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609773 179101246 /nfs/dbraw/zinc/10/12/46/179101246.db2.gz JWNTWWGZJOZOIE-DZGCQCFKSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609773 179101248 /nfs/dbraw/zinc/10/12/48/179101248.db2.gz JWNTWWGZJOZOIE-DZGCQCFKSA-N 2 2 254.418 2.123 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000085610870 179102620 /nfs/dbraw/zinc/10/26/20/179102620.db2.gz WCOAPQJXRWLBAE-KRWDZBQOSA-N 2 2 284.407 2.440 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000085610870 179102622 /nfs/dbraw/zinc/10/26/22/179102622.db2.gz WCOAPQJXRWLBAE-KRWDZBQOSA-N 2 2 284.407 2.440 10 0 CEAELP COc1cccc(C[N@@H+]2CC(C)(C)[NH2+]CC[C@@H]2C)n1 ZINC000085622562 179105708 /nfs/dbraw/zinc/10/57/08/179105708.db2.gz RPXCSIWLFCNJKA-LBPRGKRZSA-N 2 2 263.385 2.053 10 0 CEAELP COc1cccc(C[N@H+]2CC(C)(C)[NH2+]CC[C@@H]2C)n1 ZINC000085622562 179105711 /nfs/dbraw/zinc/10/57/11/179105711.db2.gz RPXCSIWLFCNJKA-LBPRGKRZSA-N 2 2 263.385 2.053 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085622631 179105777 /nfs/dbraw/zinc/10/57/77/179105777.db2.gz IACSZORFRWNNKF-LLVKDONJSA-N 2 2 282.350 2.418 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1CCCOCC(F)(F)F ZINC000085622631 179105780 /nfs/dbraw/zinc/10/57/80/179105780.db2.gz IACSZORFRWNNKF-LLVKDONJSA-N 2 2 282.350 2.418 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674127 179112041 /nfs/dbraw/zinc/11/20/41/179112041.db2.gz MCZASCKCECBAPO-FQUUOJAGSA-N 2 2 263.385 2.065 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675457 179112649 /nfs/dbraw/zinc/11/26/49/179112649.db2.gz IIEXYNIQSKVNPJ-QPSCCSFWSA-N 2 2 266.429 2.264 10 0 CEAELP CCOC[C@@H](C)[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086173885 179244347 /nfs/dbraw/zinc/24/43/47/179244347.db2.gz SLCCKLDHKDNUOP-RBSFLKMASA-N 2 2 256.434 2.366 10 0 CEAELP CCOC[C@@H](C)[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086173885 179244348 /nfs/dbraw/zinc/24/43/48/179244348.db2.gz SLCCKLDHKDNUOP-RBSFLKMASA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264843 179261427 /nfs/dbraw/zinc/26/14/27/179261427.db2.gz DKCDAJMDKZQBFE-HZPDHXFCSA-N 2 2 284.407 2.345 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296312 179268305 /nfs/dbraw/zinc/26/83/05/179268305.db2.gz RMUHWJHQBQYMHM-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296312 179268308 /nfs/dbraw/zinc/26/83/08/179268308.db2.gz RMUHWJHQBQYMHM-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817399 179344719 /nfs/dbraw/zinc/34/47/19/179344719.db2.gz HYKFVYNOZDQZPA-OAHLLOKOSA-N 3 2 286.423 2.419 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817399 179344720 /nfs/dbraw/zinc/34/47/20/179344720.db2.gz HYKFVYNOZDQZPA-OAHLLOKOSA-N 3 2 286.423 2.419 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817432 179344893 /nfs/dbraw/zinc/34/48/93/179344893.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817432 179344895 /nfs/dbraw/zinc/34/48/95/179344895.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2csc(C)n2)CC1 ZINC000086842578 179353599 /nfs/dbraw/zinc/35/35/99/179353599.db2.gz MTYUEPDPCMQZLO-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2csc(C)n2)CC1 ZINC000086842578 179353600 /nfs/dbraw/zinc/35/36/00/179353600.db2.gz MTYUEPDPCMQZLO-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000086845117 179355554 /nfs/dbraw/zinc/35/55/54/179355554.db2.gz GCGWRVOSGSEYGF-LBPRGKRZSA-N 2 2 253.415 2.497 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000086845117 179355555 /nfs/dbraw/zinc/35/55/55/179355555.db2.gz GCGWRVOSGSEYGF-LBPRGKRZSA-N 2 2 253.415 2.497 10 0 CEAELP C[N@H+](Cc1ccccc1F)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875085 179364867 /nfs/dbraw/zinc/36/48/67/179364867.db2.gz OFLRRWIKNGWCCE-HNNXBMFYSA-N 2 2 266.360 2.156 10 0 CEAELP C[N@@H+](Cc1ccccc1F)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875085 179364870 /nfs/dbraw/zinc/36/48/70/179364870.db2.gz OFLRRWIKNGWCCE-HNNXBMFYSA-N 2 2 266.360 2.156 10 0 CEAELP CCC[N@@H+]1CCC[C@@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851713 179359136 /nfs/dbraw/zinc/35/91/36/179359136.db2.gz IDCLFRAUGJZHOG-HNNXBMFYSA-N 2 2 297.468 2.470 10 0 CEAELP CCC[N@H+]1CCC[C@@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851713 179359138 /nfs/dbraw/zinc/35/91/38/179359138.db2.gz IDCLFRAUGJZHOG-HNNXBMFYSA-N 2 2 297.468 2.470 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH2+]CC2CC2)c(Cl)c1OC ZINC000087912306 179520698 /nfs/dbraw/zinc/52/06/98/179520698.db2.gz LNZPAFRGAGGZDH-NSHDSACASA-N 2 2 284.787 2.357 10 0 CEAELP CCn1nc(C)c(-c2c[nH]c(C[C@@H]3CC[NH2+]C3)[nH+]2)c1C ZINC000089749687 179858815 /nfs/dbraw/zinc/85/88/15/179858815.db2.gz FWIJFDVZEREOQP-LBPRGKRZSA-N 2 2 273.384 2.062 10 0 CEAELP CCC1(CC)CCN([C@H](C[NH3+])c2c[nH+]cn2C)CC1 ZINC000090167931 179924024 /nfs/dbraw/zinc/92/40/24/179924024.db2.gz IGEVBIILQRUUBI-CYBMUJFWSA-N 2 2 264.417 2.322 10 0 CEAELP COC(C[C@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1)OC ZINC000090625155 180015720 /nfs/dbraw/zinc/01/57/20/180015720.db2.gz CZHGVURSWITUCK-CYBMUJFWSA-N 2 2 284.425 2.049 10 0 CEAELP COC(C[C@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1)OC ZINC000090625155 180015722 /nfs/dbraw/zinc/01/57/22/180015722.db2.gz CZHGVURSWITUCK-CYBMUJFWSA-N 2 2 284.425 2.049 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874404 180049627 /nfs/dbraw/zinc/04/96/27/180049627.db2.gz IJCWUEZQFGTYTE-HUUCEWRRSA-N 2 2 262.397 2.166 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892387 180053950 /nfs/dbraw/zinc/05/39/50/180053950.db2.gz SCLHPBYAPPIUIR-SWLSCSKDSA-N 2 2 278.371 2.203 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090904445 180059609 /nfs/dbraw/zinc/05/96/09/180059609.db2.gz SMUVMKYKYJHDGK-ZDUSSCGKSA-N 2 2 291.782 2.209 10 0 CEAELP CC[N@H+](Cc1csc([C@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958358 180074472 /nfs/dbraw/zinc/07/44/72/180074472.db2.gz OZILYAALCVXTTM-UWVGGRQHSA-N 2 2 257.403 2.020 10 0 CEAELP CC[N@@H+](Cc1csc([C@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958358 180074474 /nfs/dbraw/zinc/07/44/74/180074474.db2.gz OZILYAALCVXTTM-UWVGGRQHSA-N 2 2 257.403 2.020 10 0 CEAELP CCn1cc[nH+]c1Cn1cccc1C[NH2+]CC(C)C ZINC000091001870 180083287 /nfs/dbraw/zinc/08/32/87/180083287.db2.gz VVQKKGMZFYNWSU-UHFFFAOYSA-N 2 2 260.385 2.498 10 0 CEAELP [NH3+]Cc1cn(Cc2cn3ccccc3[nH+]2)c2ncccc12 ZINC000091018960 180086898 /nfs/dbraw/zinc/08/68/98/180086898.db2.gz YFFMUZDWKORZFX-UHFFFAOYSA-N 2 2 277.331 2.191 10 0 CEAELP COC1CC[NH+](C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362240 180141580 /nfs/dbraw/zinc/14/15/80/180141580.db2.gz XZQHXTRXFPFMFH-DZKIICNBSA-N 2 2 266.429 2.408 10 0 CEAELP CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276317 180119566 /nfs/dbraw/zinc/11/95/66/180119566.db2.gz CUKTUKDMABHJGH-HNNXBMFYSA-N 2 2 288.370 2.489 10 0 CEAELP CCN(CC(C)C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276234 180119589 /nfs/dbraw/zinc/11/95/89/180119589.db2.gz RMLALMFFWBFPIC-CYBMUJFWSA-N 2 2 250.390 2.196 10 0 CEAELP CN(c1ccccc1F)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276492 180119749 /nfs/dbraw/zinc/11/97/49/180119749.db2.gz SEKFGBDCTNWKAA-CQSZACIVSA-N 2 2 274.343 2.493 10 0 CEAELP CCN([C@@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CCCC1 ZINC000091276253 180120254 /nfs/dbraw/zinc/12/02/54/180120254.db2.gz HAIVJXBLRSOCQC-AWEZNQCLSA-N 2 2 262.401 2.482 10 0 CEAELP CCCn1c(C[C@H]2C[NH2+]CCO2)[nH+]c2cc(C)ccc21 ZINC000091293198 180124287 /nfs/dbraw/zinc/12/42/87/180124287.db2.gz FIXZHIAWWMHZMR-ZDUSSCGKSA-N 2 2 273.380 2.286 10 0 CEAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091451474 180159159 /nfs/dbraw/zinc/15/91/59/180159159.db2.gz UBMNEJBWVUTZQB-USPMSXPRSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091451474 180159161 /nfs/dbraw/zinc/15/91/61/180159161.db2.gz UBMNEJBWVUTZQB-USPMSXPRSA-N 2 2 262.397 2.086 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)[N@H+](C)CC1CC(O)C1 ZINC000091464577 180163163 /nfs/dbraw/zinc/16/31/63/180163163.db2.gz KFZWZIUNRVGFSR-TVRADYJESA-N 2 2 282.815 2.431 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)[N@@H+](C)CC1CC(O)C1 ZINC000091464577 180163164 /nfs/dbraw/zinc/16/31/64/180163164.db2.gz KFZWZIUNRVGFSR-TVRADYJESA-N 2 2 282.815 2.431 10 0 CEAELP CC[C@@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606168 180204680 /nfs/dbraw/zinc/20/46/80/180204680.db2.gz QTJUORBCXIPAEL-HOTGVXAUSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCC1 ZINC000091606168 180204682 /nfs/dbraw/zinc/20/46/82/180204682.db2.gz QTJUORBCXIPAEL-HOTGVXAUSA-N 2 2 276.428 2.059 10 0 CEAELP CCn1ncnc1C[C@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCCC1 ZINC000091610059 180205844 /nfs/dbraw/zinc/20/58/44/180205844.db2.gz RWYVQABUXGQXIV-HOCLYGCPSA-N 2 2 293.459 2.083 10 0 CEAELP CC(C)n1c2cc(F)ccc2[nH+]c1C[C@](C)(O)C[NH3+] ZINC000091522845 180178298 /nfs/dbraw/zinc/17/82/98/180178298.db2.gz FFHAGQZNSAPYRJ-AWEZNQCLSA-N 2 2 265.332 2.009 10 0 CEAELP Nc1cc[nH+]cc1[C@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640596 180213131 /nfs/dbraw/zinc/21/31/31/180213131.db2.gz FMMXSTHNOABYFF-AWEZNQCLSA-N 2 2 260.385 2.072 10 0 CEAELP C[NH+](C)C1(C(=O)Cc2cc[nH+]c(N)c2)CCCCC1 ZINC000091646428 180215283 /nfs/dbraw/zinc/21/52/83/180215283.db2.gz HPSPUHUNHLYBAO-UHFFFAOYSA-N 2 2 261.369 2.040 10 0 CEAELP CC[NH2+][C@H](c1cccs1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722021 180239570 /nfs/dbraw/zinc/23/95/70/180239570.db2.gz CZQRTVOZXVZPNH-DYEKYZERSA-N 2 2 266.410 2.262 10 0 CEAELP CC[NH2+][C@H](c1cccs1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722021 180239573 /nfs/dbraw/zinc/23/95/73/180239573.db2.gz CZQRTVOZXVZPNH-DYEKYZERSA-N 2 2 266.410 2.262 10 0 CEAELP CC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1CC)C[NH+](C)C ZINC000091719844 180234363 /nfs/dbraw/zinc/23/43/63/180234363.db2.gz LHWCSPQJLPAYIV-NSHDSACASA-N 2 2 286.851 2.201 10 0 CEAELP CCC[NH2+][C@@H](Cc1nn(C)c2ccccc12)C[NH+](C)C ZINC000091719942 180234388 /nfs/dbraw/zinc/23/43/88/180234388.db2.gz DGCNRIZMADISRQ-ZDUSSCGKSA-N 2 2 274.412 2.046 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)n1cc[nH+]c1-c1ccccc1 ZINC000105554328 186063184 /nfs/dbraw/zinc/06/31/84/186063184.db2.gz KKFFRHIVBAXZCC-DOMZBBRYSA-N 2 2 281.363 2.220 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000091723775 180242444 /nfs/dbraw/zinc/24/24/44/180242444.db2.gz OYCKQRUJFOAEGQ-JTQLQIEISA-N 2 2 262.401 2.011 10 0 CEAELP COCc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000092082971 180319375 /nfs/dbraw/zinc/31/93/75/180319375.db2.gz SDFQMSHNGJBVSP-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP COCc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000092082971 180319376 /nfs/dbraw/zinc/31/93/76/180319376.db2.gz SDFQMSHNGJBVSP-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2ccccc2S1 ZINC000092271375 180356651 /nfs/dbraw/zinc/35/66/51/180356651.db2.gz WPERWTDVMGLRLE-AAEUAGOBSA-N 2 2 273.405 2.490 10 0 CEAELP CCCN(CC[NH+](C)C)Cc1cccc(NCC)[nH+]1 ZINC000092369359 180369756 /nfs/dbraw/zinc/36/97/56/180369756.db2.gz GAXBDBVRNFTGKL-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000092419173 180382466 /nfs/dbraw/zinc/38/24/66/180382466.db2.gz DRIJPBWZSNEDRA-UHFFFAOYSA-N 3 2 276.428 2.287 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000092419173 180382468 /nfs/dbraw/zinc/38/24/68/180382468.db2.gz DRIJPBWZSNEDRA-UHFFFAOYSA-N 3 2 276.428 2.287 10 0 CEAELP CC[NH2+][C@H]1C(=O)Nc2cc(-n3c[nH+]c(C)c3C)ccc21 ZINC000109573171 186263456 /nfs/dbraw/zinc/26/34/56/186263456.db2.gz HPOQEHXOVKVRAN-CQSZACIVSA-N 2 2 270.336 2.092 10 0 CEAELP COc1cc2c(cc1F)[nH+]c(N)n2CCCn1cc[nH+]c1 ZINC000110629239 186307314 /nfs/dbraw/zinc/30/73/14/186307314.db2.gz ANAODHBMXWPQFR-UHFFFAOYSA-N 2 2 289.314 2.053 10 0 CEAELP CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110942595 186334503 /nfs/dbraw/zinc/33/45/03/186334503.db2.gz OSFUNRZWHSILBQ-KRWDZBQOSA-N 2 2 284.407 2.446 10 0 CEAELP CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110942595 186334505 /nfs/dbraw/zinc/33/45/05/186334505.db2.gz OSFUNRZWHSILBQ-KRWDZBQOSA-N 2 2 284.407 2.446 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000110939087 186334741 /nfs/dbraw/zinc/33/47/41/186334741.db2.gz LRWZZXJTZGCEPU-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000110939087 186334743 /nfs/dbraw/zinc/33/47/43/186334743.db2.gz LRWZZXJTZGCEPU-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP CC[N@H+](CCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944922 186335737 /nfs/dbraw/zinc/33/57/37/186335737.db2.gz OYROVHQPLJGYJG-OAHLLOKOSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](CCOc1ccc(C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944922 186335739 /nfs/dbraw/zinc/33/57/39/186335739.db2.gz OYROVHQPLJGYJG-OAHLLOKOSA-N 2 2 262.397 2.448 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157892 186362447 /nfs/dbraw/zinc/36/24/47/186362447.db2.gz CXGYTSBKEBOUDV-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157892 186362449 /nfs/dbraw/zinc/36/24/49/186362449.db2.gz CXGYTSBKEBOUDV-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148236 186358595 /nfs/dbraw/zinc/35/85/95/186358595.db2.gz LBGXHPFTVWCDQM-CVEARBPZSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148236 186358597 /nfs/dbraw/zinc/35/85/97/186358597.db2.gz LBGXHPFTVWCDQM-CVEARBPZSA-N 3 2 269.477 2.428 10 0 CEAELP [NH3+]C[C@H]([C@@H]1CCCOC1)[N@H+](Cc1cccs1)C1CC1 ZINC000111320933 186397613 /nfs/dbraw/zinc/39/76/13/186397613.db2.gz QJDRKHPHOJGFPL-IUODEOHRSA-N 2 2 280.437 2.466 10 0 CEAELP [NH3+]C[C@H]([C@@H]1CCCOC1)[N@@H+](Cc1cccs1)C1CC1 ZINC000111320933 186397616 /nfs/dbraw/zinc/39/76/16/186397616.db2.gz QJDRKHPHOJGFPL-IUODEOHRSA-N 2 2 280.437 2.466 10 0 CEAELP CC[NH2+]C[C@@]1(C[NH+]2Cc3ccccc3C2)CCCOC1 ZINC000111325992 186398173 /nfs/dbraw/zinc/39/81/73/186398173.db2.gz XGNLHSIBTJPFIK-QGZVFWFLSA-N 2 2 274.408 2.409 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000151338531 366640208 /nfs/dbraw/zinc/64/02/08/366640208.db2.gz ASMPRWBLUXYQQQ-UONOGXRCSA-N 2 2 266.385 2.085 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[N@@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000176990170 189019191 /nfs/dbraw/zinc/01/91/91/189019191.db2.gz MFJHCWJDBYSNLA-MRXNPFEDSA-N 2 2 284.407 2.313 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[N@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000176990170 189019192 /nfs/dbraw/zinc/01/91/92/189019192.db2.gz MFJHCWJDBYSNLA-MRXNPFEDSA-N 2 2 284.407 2.313 10 0 CEAELP c1cn(CCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c[nH+]1 ZINC000182910230 189339257 /nfs/dbraw/zinc/33/92/57/189339257.db2.gz RNQWOJHUCBKDPW-CQSZACIVSA-N 2 2 259.357 2.224 10 0 CEAELP c1cn(CCC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c[nH+]1 ZINC000182910230 189339258 /nfs/dbraw/zinc/33/92/58/189339258.db2.gz RNQWOJHUCBKDPW-CQSZACIVSA-N 2 2 259.357 2.224 10 0 CEAELP C[N@H+](Cc1ccnc(Br)c1)C1CC[NH2+]CC1 ZINC000095070717 364330849 /nfs/dbraw/zinc/33/08/49/364330849.db2.gz SLJNMQSTYWPFJW-UHFFFAOYSA-N 2 2 284.201 2.028 10 0 CEAELP C[N@@H+](Cc1ccnc(Br)c1)C1CC[NH2+]CC1 ZINC000095070717 364330852 /nfs/dbraw/zinc/33/08/52/364330852.db2.gz SLJNMQSTYWPFJW-UHFFFAOYSA-N 2 2 284.201 2.028 10 0 CEAELP C[C@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000631841127 367584333 /nfs/dbraw/zinc/58/43/33/367584333.db2.gz YHZWXOFHEHYARU-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000631841127 367584337 /nfs/dbraw/zinc/58/43/37/367584337.db2.gz YHZWXOFHEHYARU-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP CCOC(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)OCC ZINC000184973156 368732850 /nfs/dbraw/zinc/73/28/50/368732850.db2.gz RSVRGGCHAJNJTA-AWEZNQCLSA-N 2 2 293.411 2.215 10 0 CEAELP CCOC(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)OCC ZINC000184973156 368732855 /nfs/dbraw/zinc/73/28/55/368732855.db2.gz RSVRGGCHAJNJTA-AWEZNQCLSA-N 2 2 293.411 2.215 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999404 369033487 /nfs/dbraw/zinc/03/34/87/369033487.db2.gz UFJWEWOFZJKMDG-WPRPVWTQSA-N 2 2 258.287 2.131 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999404 369033491 /nfs/dbraw/zinc/03/34/91/369033491.db2.gz UFJWEWOFZJKMDG-WPRPVWTQSA-N 2 2 258.287 2.131 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC000190472024 369627775 /nfs/dbraw/zinc/62/77/75/369627775.db2.gz SCNZCEHWJONZRH-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC000190472024 369627777 /nfs/dbraw/zinc/62/77/77/369627777.db2.gz SCNZCEHWJONZRH-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000190472024 369627779 /nfs/dbraw/zinc/62/77/79/369627779.db2.gz SCNZCEHWJONZRH-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000190472024 369627781 /nfs/dbraw/zinc/62/77/81/369627781.db2.gz SCNZCEHWJONZRH-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC000190472002 369627904 /nfs/dbraw/zinc/62/79/04/369627904.db2.gz SCNZCEHWJONZRH-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC000190472002 369627910 /nfs/dbraw/zinc/62/79/10/369627910.db2.gz SCNZCEHWJONZRH-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000190472002 369627915 /nfs/dbraw/zinc/62/79/15/369627915.db2.gz SCNZCEHWJONZRH-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000190472002 369627919 /nfs/dbraw/zinc/62/79/19/369627919.db2.gz SCNZCEHWJONZRH-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP CC(C)c1nnc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1C ZINC000195432294 370131283 /nfs/dbraw/zinc/13/12/83/370131283.db2.gz QXUUHGRSQZQVKH-UHFFFAOYSA-N 2 2 293.459 2.102 10 0 CEAELP Cc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669741 370485154 /nfs/dbraw/zinc/48/51/54/370485154.db2.gz KWOZMGFNKKJLFW-CQSZACIVSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669741 370485160 /nfs/dbraw/zinc/48/51/60/370485160.db2.gz KWOZMGFNKKJLFW-CQSZACIVSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000231669382 370485344 /nfs/dbraw/zinc/48/53/44/370485344.db2.gz ANHZJINFDPFLGX-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(C)c1 ZINC000231669382 370485349 /nfs/dbraw/zinc/48/53/49/370485349.db2.gz ANHZJINFDPFLGX-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000235391931 370564993 /nfs/dbraw/zinc/56/49/93/370564993.db2.gz DJTOWZQEFMHJOM-ABAIWWIYSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000235391931 370564995 /nfs/dbraw/zinc/56/49/95/370564995.db2.gz DJTOWZQEFMHJOM-ABAIWWIYSA-N 2 2 255.365 2.322 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1[NH3+] ZINC000235715946 370576338 /nfs/dbraw/zinc/57/63/38/370576338.db2.gz CBCOJUJDJIYSMS-FZMZJTMJSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1[NH3+] ZINC000235715946 370576344 /nfs/dbraw/zinc/57/63/44/370576344.db2.gz CBCOJUJDJIYSMS-FZMZJTMJSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000247730354 371137916 /nfs/dbraw/zinc/13/79/16/371137916.db2.gz VDJRZHAWDWNGIQ-KGLIPLIRSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000247730354 371137920 /nfs/dbraw/zinc/13/79/20/371137920.db2.gz VDJRZHAWDWNGIQ-KGLIPLIRSA-N 2 2 270.380 2.003 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)C1 ZINC000639266389 371166066 /nfs/dbraw/zinc/16/60/66/371166066.db2.gz JOYTVGGTAUUSMS-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)C1 ZINC000639266389 371166067 /nfs/dbraw/zinc/16/60/67/371166067.db2.gz JOYTVGGTAUUSMS-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000261552008 371644021 /nfs/dbraw/zinc/64/40/21/371644021.db2.gz QXOUHAPFUINIMZ-ODIFPOPNSA-N 3 2 275.440 2.366 10 0 CEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000261552008 371644026 /nfs/dbraw/zinc/64/40/26/371644026.db2.gz QXOUHAPFUINIMZ-ODIFPOPNSA-N 3 2 275.440 2.366 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662487 371695975 /nfs/dbraw/zinc/69/59/75/371695975.db2.gz FFOBKGVELHJXLS-RAIGVLPGSA-N 2 2 273.336 2.104 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662487 371695981 /nfs/dbraw/zinc/69/59/81/371695981.db2.gz FFOBKGVELHJXLS-RAIGVLPGSA-N 2 2 273.336 2.104 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]12 ZINC000311992061 376698006 /nfs/dbraw/zinc/69/80/06/376698006.db2.gz SJFBYECETZLAKX-BPLDGKMQSA-N 2 2 253.349 2.408 10 0 CEAELP Cc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc[nH+]1 ZINC000328630595 376868035 /nfs/dbraw/zinc/86/80/35/376868035.db2.gz JOYYUHZIVNTZPS-INIZCTEOSA-N 2 2 297.406 2.138 10 0 CEAELP Cc1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc[nH+]1 ZINC000328630595 376868043 /nfs/dbraw/zinc/86/80/43/376868043.db2.gz JOYYUHZIVNTZPS-INIZCTEOSA-N 2 2 297.406 2.138 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300082341 379152336 /nfs/dbraw/zinc/15/23/36/379152336.db2.gz DGVNKIUPQWPMFZ-LSDHHAIUSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300082341 379152341 /nfs/dbraw/zinc/15/23/41/379152341.db2.gz DGVNKIUPQWPMFZ-LSDHHAIUSA-N 2 2 262.397 2.351 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH3+])CO)c1cccc(C)c1 ZINC000085241300 184609091 /nfs/dbraw/zinc/60/90/91/184609091.db2.gz ABJHUXOXLAMXLO-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH3+])CO)c1cccc(C)c1 ZINC000085241300 184609092 /nfs/dbraw/zinc/60/90/92/184609092.db2.gz ABJHUXOXLAMXLO-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000400456558 533172836 /nfs/dbraw/zinc/17/28/36/533172836.db2.gz SQMWCILNMTYXKD-SGMGOOAPSA-N 2 2 278.396 2.495 10 0 CEAELP CCCC[NH+](CCCC)[C@@H]1CCC[C@]([NH3+])(C(N)=O)C1 ZINC000093749363 184713237 /nfs/dbraw/zinc/71/32/37/184713237.db2.gz SWLBKNULNDBQMQ-UKRRQHHQSA-N 2 2 269.433 2.014 10 0 CEAELP Cc1ccc(C)c([C@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000093926058 184744664 /nfs/dbraw/zinc/74/46/64/184744664.db2.gz JAMXNKQEHNJYMZ-CVEARBPZSA-N 2 2 262.397 2.412 10 0 CEAELP Cc1ccc(C)c([C@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000093926058 184744665 /nfs/dbraw/zinc/74/46/65/184744665.db2.gz JAMXNKQEHNJYMZ-CVEARBPZSA-N 2 2 262.397 2.412 10 0 CEAELP C[NH2+][C@H](CSC1CCCC1)Cc1[nH+]ccn1C ZINC000094161063 184757935 /nfs/dbraw/zinc/75/79/35/184757935.db2.gz PZOCYAMASCNZCY-NSHDSACASA-N 2 2 253.415 2.226 10 0 CEAELP C[NH+](C)[C@H]1CCCN(c2c(C[NH3+])c[nH+]c3ccccc32)C1 ZINC000091393288 135068447 /nfs/dbraw/zinc/06/84/47/135068447.db2.gz VAVWOOAANCOEDW-AWEZNQCLSA-N 3 2 284.407 2.224 10 0 CEAELP [NH3+]CC1([NH+]2CCN(c3ccc(Cl)cc3)CC2)CCC1 ZINC000093394485 135080482 /nfs/dbraw/zinc/08/04/82/135080482.db2.gz QGEJVXPOQWUGEO-UHFFFAOYSA-N 2 2 279.815 2.343 10 0 CEAELP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000251743457 394569212 /nfs/dbraw/zinc/56/92/12/394569212.db2.gz QRSGFNURBZLDDG-JYJNAYRXSA-N 2 2 266.429 2.241 10 0 CEAELP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000251743457 394569213 /nfs/dbraw/zinc/56/92/13/394569213.db2.gz QRSGFNURBZLDDG-JYJNAYRXSA-N 2 2 266.429 2.241 10 0 CEAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000341471983 395002551 /nfs/dbraw/zinc/00/25/51/395002551.db2.gz USDHVFJKAZEVEW-SBJFKYEJSA-N 2 2 266.429 2.405 10 0 CEAELP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000341471983 395002554 /nfs/dbraw/zinc/00/25/54/395002554.db2.gz USDHVFJKAZEVEW-SBJFKYEJSA-N 2 2 266.429 2.405 10 0 CEAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000400334689 395251663 /nfs/dbraw/zinc/25/16/63/395251663.db2.gz DXVLZHFQQCDVDS-MELADBBJSA-N 2 2 299.459 2.172 10 0 CEAELP CC[NH+](CC)CCC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000191469289 153175516 /nfs/dbraw/zinc/17/55/16/153175516.db2.gz LGDRLBLZBGUUKG-UHFFFAOYSA-N 2 2 264.417 2.321 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000191555077 153182111 /nfs/dbraw/zinc/18/21/11/153182111.db2.gz LHKLAJQHIOWMFG-MRXNPFEDSA-N 2 2 277.412 2.267 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000191555077 153182116 /nfs/dbraw/zinc/18/21/16/153182116.db2.gz LHKLAJQHIOWMFG-MRXNPFEDSA-N 2 2 277.412 2.267 10 0 CEAELP COc1ncccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000193371581 153232269 /nfs/dbraw/zinc/23/22/69/153232269.db2.gz BTJYTAFHTKYNIP-OAHLLOKOSA-N 2 2 286.379 2.260 10 0 CEAELP COc1ncccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000193371581 153232272 /nfs/dbraw/zinc/23/22/72/153232272.db2.gz BTJYTAFHTKYNIP-OAHLLOKOSA-N 2 2 286.379 2.260 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000171614870 165052054 /nfs/dbraw/zinc/05/20/54/165052054.db2.gz VSQXRITVCNIMMG-AWEZNQCLSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000171614870 165052057 /nfs/dbraw/zinc/05/20/57/165052057.db2.gz VSQXRITVCNIMMG-AWEZNQCLSA-N 2 2 287.411 2.499 10 0 CEAELP COCCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178288046 165231002 /nfs/dbraw/zinc/23/10/02/165231002.db2.gz JUCPNVFMAYKWLB-CQSZACIVSA-N 2 2 251.374 2.083 10 0 CEAELP COCCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178288046 165231005 /nfs/dbraw/zinc/23/10/05/165231005.db2.gz JUCPNVFMAYKWLB-CQSZACIVSA-N 2 2 251.374 2.083 10 0 CEAELP Cc1cccc(C)c1OCC[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000019664579 170833761 /nfs/dbraw/zinc/83/37/61/170833761.db2.gz ZUHLZNGDRQOSSD-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP CC[C@@H](C)[C@@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000020072479 170983180 /nfs/dbraw/zinc/98/31/80/170983180.db2.gz WBSAGYQYPSJUKC-ZBFHGGJFSA-N 2 2 261.413 2.182 10 0 CEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226352 171091183 /nfs/dbraw/zinc/09/11/83/171091183.db2.gz IXZMZHILVTUUMV-LBPRGKRZSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226352 171091186 /nfs/dbraw/zinc/09/11/86/171091186.db2.gz IXZMZHILVTUUMV-LBPRGKRZSA-N 2 2 252.358 2.045 10 0 CEAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226391 171091731 /nfs/dbraw/zinc/09/17/31/171091731.db2.gz YQBCTMZCTPPOEW-CYBMUJFWSA-N 2 2 278.396 2.436 10 0 CEAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226391 171091734 /nfs/dbraw/zinc/09/17/34/171091734.db2.gz YQBCTMZCTPPOEW-CYBMUJFWSA-N 2 2 278.396 2.436 10 0 CEAELP Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042962 174047018 /nfs/dbraw/zinc/04/70/18/174047018.db2.gz XBYDWZITZBBDSJ-MRXNPFEDSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042962 174047021 /nfs/dbraw/zinc/04/70/21/174047021.db2.gz XBYDWZITZBBDSJ-MRXNPFEDSA-N 2 2 287.407 2.150 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502944 174299283 /nfs/dbraw/zinc/29/92/83/174299283.db2.gz JWFMGZXZZKVLKZ-CYBMUJFWSA-N 2 2 293.377 2.087 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502944 174299284 /nfs/dbraw/zinc/29/92/84/174299284.db2.gz JWFMGZXZZKVLKZ-CYBMUJFWSA-N 2 2 293.377 2.087 10 0 CEAELP Cc1cc(C)c(C(N)=S)c(NCCCn2cc[nH+]c2)[nH+]1 ZINC000040510194 174304105 /nfs/dbraw/zinc/30/41/05/174304105.db2.gz NTVNWZYPZPJKKH-UHFFFAOYSA-N 2 2 289.408 2.031 10 0 CEAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000040518534 174307784 /nfs/dbraw/zinc/30/77/84/174307784.db2.gz FGEKGJVSCHSOHD-GXFFZTMASA-N 2 2 285.457 2.113 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000040689106 174375660 /nfs/dbraw/zinc/37/56/60/174375660.db2.gz YVUMJJJJYHWPMZ-MRXNPFEDSA-N 2 2 262.397 2.496 10 0 CEAELP CCOC1CC[NH+](C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000040690194 174376981 /nfs/dbraw/zinc/37/69/81/174376981.db2.gz ANNTYFBDXFLJMU-HNNXBMFYSA-N 2 2 262.397 2.057 10 0 CEAELP CCC[NH+]1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746567 174391680 /nfs/dbraw/zinc/39/16/80/174391680.db2.gz NUPYSXVITNPGRB-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP CCC[NH+]1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746567 174391681 /nfs/dbraw/zinc/39/16/81/174391681.db2.gz NUPYSXVITNPGRB-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP CC[N@H+](CC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748314 174393140 /nfs/dbraw/zinc/39/31/40/174393140.db2.gz CKDYAHLYGFPMAH-XYPWUTKMSA-N 2 2 287.407 2.230 10 0 CEAELP CC[N@@H+](CC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748314 174393142 /nfs/dbraw/zinc/39/31/42/174393142.db2.gz CKDYAHLYGFPMAH-XYPWUTKMSA-N 2 2 287.407 2.230 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1 ZINC000040749269 174394154 /nfs/dbraw/zinc/39/41/54/174394154.db2.gz HCCPPISGGGVZCL-YOGCLGLASA-N 2 2 252.308 2.419 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1 ZINC000040749269 174394156 /nfs/dbraw/zinc/39/41/56/174394156.db2.gz HCCPPISGGGVZCL-YOGCLGLASA-N 2 2 252.308 2.419 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000040750309 174394869 /nfs/dbraw/zinc/39/48/69/174394869.db2.gz WBKXMNYIYXDUPE-ZXFUBFMLSA-N 3 2 282.391 2.326 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000040750309 174394870 /nfs/dbraw/zinc/39/48/70/174394870.db2.gz WBKXMNYIYXDUPE-ZXFUBFMLSA-N 3 2 282.391 2.326 10 0 CEAELP COCC[N@H+](C)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000042458636 174750359 /nfs/dbraw/zinc/75/03/59/174750359.db2.gz DUYBARNORMVCAH-CQSZACIVSA-N 2 2 250.386 2.190 10 0 CEAELP COCC[N@@H+](C)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000042458636 174750360 /nfs/dbraw/zinc/75/03/60/174750360.db2.gz DUYBARNORMVCAH-CQSZACIVSA-N 2 2 250.386 2.190 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347086 175017729 /nfs/dbraw/zinc/01/77/29/175017729.db2.gz DQAZNCNYSCJMSX-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347086 175017730 /nfs/dbraw/zinc/01/77/30/175017730.db2.gz DQAZNCNYSCJMSX-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353854 175020786 /nfs/dbraw/zinc/02/07/86/175020786.db2.gz KICKBWAONRRCPW-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353854 175020788 /nfs/dbraw/zinc/02/07/88/175020788.db2.gz KICKBWAONRRCPW-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C(C)C ZINC000043365149 175026327 /nfs/dbraw/zinc/02/63/27/175026327.db2.gz BYPBSFOAMSFIET-OCCSQVGLSA-N 2 2 254.374 2.069 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C(C)C ZINC000043365149 175026329 /nfs/dbraw/zinc/02/63/29/175026329.db2.gz BYPBSFOAMSFIET-OCCSQVGLSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](CCCO)C(C)C)o1 ZINC000043365166 175026476 /nfs/dbraw/zinc/02/64/76/175026476.db2.gz UXVOMDBAECHDIZ-GXTWGEPZSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](CCCO)C(C)C)o1 ZINC000043365166 175026477 /nfs/dbraw/zinc/02/64/77/175026477.db2.gz UXVOMDBAECHDIZ-GXTWGEPZSA-N 2 2 254.374 2.069 10 0 CEAELP CCC[NH2+][C@H]1CCCCC[C@H]1[NH+](CCOC)CCOC ZINC000043912904 175124336 /nfs/dbraw/zinc/12/43/36/175124336.db2.gz HMEYUYYFRXHLSC-JKSUJKDBSA-N 2 2 286.460 2.282 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965889 175127007 /nfs/dbraw/zinc/12/70/07/175127007.db2.gz LZKGFCTUWIQTGC-JQFCIGGWSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965889 175127008 /nfs/dbraw/zinc/12/70/08/175127008.db2.gz LZKGFCTUWIQTGC-JQFCIGGWSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCC(C)CC1)OCCO2 ZINC000043966979 175128065 /nfs/dbraw/zinc/12/80/65/175128065.db2.gz YSEBKTJMSGMWAY-SSHXOBKSSA-N 2 2 296.455 2.381 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCC(C)CC1)OCCO2 ZINC000043966979 175128066 /nfs/dbraw/zinc/12/80/66/175128066.db2.gz YSEBKTJMSGMWAY-SSHXOBKSSA-N 2 2 296.455 2.381 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969615 175130338 /nfs/dbraw/zinc/13/03/38/175130338.db2.gz SKGFLPCKFQMCRY-CZUORRHYSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969615 175130339 /nfs/dbraw/zinc/13/03/39/175130339.db2.gz SKGFLPCKFQMCRY-CZUORRHYSA-N 2 2 262.397 2.446 10 0 CEAELP CCC[NH2+][C@@H](C)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970827 175131877 /nfs/dbraw/zinc/13/18/77/175131877.db2.gz LKKMXHZRHDQXET-KBPBESRZSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@](C)(C[NH3+])CCOC ZINC000045043495 175295405 /nfs/dbraw/zinc/29/54/05/175295405.db2.gz QEHLPFUVWXOXEY-ZDUSSCGKSA-N 2 2 256.415 2.324 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@](C)(C[NH3+])CCOC ZINC000045043495 175295406 /nfs/dbraw/zinc/29/54/06/175295406.db2.gz QEHLPFUVWXOXEY-ZDUSSCGKSA-N 2 2 256.415 2.324 10 0 CEAELP Cn1cc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067048 175300093 /nfs/dbraw/zinc/30/00/93/175300093.db2.gz XKHWBPBAMPTGQK-HUUCEWRRSA-N 2 2 262.401 2.075 10 0 CEAELP Cn1cc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067048 175300094 /nfs/dbraw/zinc/30/00/94/175300094.db2.gz XKHWBPBAMPTGQK-HUUCEWRRSA-N 2 2 262.401 2.075 10 0 CEAELP CC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374960 175365762 /nfs/dbraw/zinc/36/57/62/175365762.db2.gz NHDMAAAIRVJUQI-HNNXBMFYSA-N 2 2 270.417 2.040 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+](CC)CC)[NH2+]C1CC1 ZINC000045375955 175366599 /nfs/dbraw/zinc/36/65/99/175366599.db2.gz DZTOQNLOROKLDK-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(Nc2ccccc2)[nH+]1 ZINC000045947938 175388461 /nfs/dbraw/zinc/38/84/61/175388461.db2.gz TZEBRRAMEOUUPW-GFCCVEGCSA-N 2 2 283.379 2.320 10 0 CEAELP Cc1cc(N2CCC[NH2+]CC2)nc(Nc2ccccc2)[nH+]1 ZINC000045947766 175388477 /nfs/dbraw/zinc/38/84/77/175388477.db2.gz GYBWHJSECZEOID-UHFFFAOYSA-N 2 2 283.379 2.328 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)cc1 ZINC000071139266 176037623 /nfs/dbraw/zinc/03/76/23/176037623.db2.gz WNALJGWYAPFBBH-ZDUSSCGKSA-N 2 2 259.353 2.220 10 0 CEAELP C[N@H+](CCC(=O)c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189853 176065947 /nfs/dbraw/zinc/06/59/47/176065947.db2.gz PCGKUXKFTDNTSQ-ZDUSSCGKSA-N 2 2 278.371 2.282 10 0 CEAELP C[N@@H+](CCC(=O)c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189853 176065948 /nfs/dbraw/zinc/06/59/48/176065948.db2.gz PCGKUXKFTDNTSQ-ZDUSSCGKSA-N 2 2 278.371 2.282 10 0 CEAELP C[NH+](CCC(=O)c1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189853 176065949 /nfs/dbraw/zinc/06/59/49/176065949.db2.gz PCGKUXKFTDNTSQ-ZDUSSCGKSA-N 2 2 278.371 2.282 10 0 CEAELP C[NH+](CCC(=O)c1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189853 176065950 /nfs/dbraw/zinc/06/59/50/176065950.db2.gz PCGKUXKFTDNTSQ-ZDUSSCGKSA-N 2 2 278.371 2.282 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191482 176069646 /nfs/dbraw/zinc/06/96/46/176069646.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191482 176069647 /nfs/dbraw/zinc/06/96/47/176069647.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191482 176069649 /nfs/dbraw/zinc/06/96/49/176069649.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191482 176069652 /nfs/dbraw/zinc/06/96/52/176069652.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191399 176070407 /nfs/dbraw/zinc/07/04/07/176070407.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191399 176070408 /nfs/dbraw/zinc/07/04/08/176070408.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191399 176070411 /nfs/dbraw/zinc/07/04/11/176070411.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191399 176070412 /nfs/dbraw/zinc/07/04/12/176070412.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213756 176085261 /nfs/dbraw/zinc/08/52/61/176085261.db2.gz BBBWZHDYTRNZHS-AGIUHOORSA-N 2 2 265.426 2.462 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213754 176085293 /nfs/dbraw/zinc/08/52/93/176085293.db2.gz BBBWZHDYTRNZHS-AVGNSLFASA-N 2 2 265.426 2.462 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@@H](CC)CN1CCn1cc[nH+]c1C ZINC000071343808 176130731 /nfs/dbraw/zinc/13/07/31/176130731.db2.gz GMEFQUDVHFDIDS-BPUTZDHNSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CCN1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071358694 176137624 /nfs/dbraw/zinc/13/76/24/176137624.db2.gz BPCRPKMEJMBOBG-MRXNPFEDSA-N 2 2 288.439 2.188 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000078513947 177348391 /nfs/dbraw/zinc/34/83/91/177348391.db2.gz DJQJRHHLILKSRU-HRCADAONSA-N 2 2 295.471 2.240 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000078513947 177348393 /nfs/dbraw/zinc/34/83/93/177348393.db2.gz DJQJRHHLILKSRU-HRCADAONSA-N 2 2 295.471 2.240 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])cc2[nH+]1 ZINC000079527457 177516172 /nfs/dbraw/zinc/51/61/72/177516172.db2.gz AZWPDUOJIZHDBC-MMDVMMEASA-N 2 2 284.363 2.183 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc2[nH+]1 ZINC000136355693 419445595 /nfs/dbraw/zinc/44/55/95/419445595.db2.gz QULVMHOAHIJAKH-LLVKDONJSA-N 2 2 260.341 2.183 10 0 CEAELP C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000094342536 274361705 /nfs/dbraw/zinc/36/17/05/274361705.db2.gz FXWVOSCQHHKCID-SCZZXKLOSA-N 2 2 259.275 2.274 10 0 CEAELP C[C@@H]1CCN(c2[nH+]c3ccccc3n2C)[C@H](C[NH3+])C1 ZINC000261569802 278559130 /nfs/dbraw/zinc/55/91/30/278559130.db2.gz NLFWFLNZJJFGDM-NEPJUHHUSA-N 2 2 258.369 2.137 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000245956486 280268401 /nfs/dbraw/zinc/26/84/01/280268401.db2.gz CQXZCCDIHOITSN-CABCVRRESA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000245956486 280268403 /nfs/dbraw/zinc/26/84/03/280268403.db2.gz CQXZCCDIHOITSN-CABCVRRESA-N 2 2 284.407 2.393 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+](CCOC)[C@@H](C)CC)cs1 ZINC000052547168 520020722 /nfs/dbraw/zinc/02/07/22/520020722.db2.gz XXWBBTXZTFGQCO-LBPRGKRZSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+](CCOC)[C@@H](C)CC)cs1 ZINC000052547168 520020730 /nfs/dbraw/zinc/02/07/30/520020730.db2.gz XXWBBTXZTFGQCO-LBPRGKRZSA-N 2 2 285.457 2.500 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+]1CCc2sccc2[C@@H]1C ZINC000052810966 521831668 /nfs/dbraw/zinc/83/16/68/521831668.db2.gz SNFDCAAZROHYFF-WDEREUQCSA-N 2 2 254.399 2.031 10 0 CEAELP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000400359864 534025727 /nfs/dbraw/zinc/02/57/27/534025727.db2.gz CRHPZHKVFDCHFK-KBPBESRZSA-N 2 2 274.412 2.482 10 0 CEAELP CC(C)(O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370310245 519355180 /nfs/dbraw/zinc/35/51/80/519355180.db2.gz XYLMOKWPJBHYEQ-ZDUSSCGKSA-N 2 2 277.412 2.170 10 0 CEAELP CC(C)(O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370310245 519355183 /nfs/dbraw/zinc/35/51/83/519355183.db2.gz XYLMOKWPJBHYEQ-ZDUSSCGKSA-N 2 2 277.412 2.170 10 0 CEAELP CC[NH2+]CCC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061292169 519917902 /nfs/dbraw/zinc/91/79/02/519917902.db2.gz KLLNXOZPYSDKEC-UHFFFAOYSA-N 2 2 258.325 2.015 10 0 CEAELP CCC[NH2+]C[C@H](C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052543972 519930138 /nfs/dbraw/zinc/93/01/38/519930138.db2.gz YJAYIFSVJJZNLO-AWEZNQCLSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+]C[C@H](C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052543972 519930144 /nfs/dbraw/zinc/93/01/44/519930144.db2.gz YJAYIFSVJJZNLO-AWEZNQCLSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422922 519943477 /nfs/dbraw/zinc/94/34/77/519943477.db2.gz CRTITOSQEWTAQS-OAHLLOKOSA-N 2 2 291.439 2.063 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@H+](CC)[C@@H](C)COC)cs1 ZINC000052504651 519965051 /nfs/dbraw/zinc/96/50/51/519965051.db2.gz BGMTYMMIOFMKTO-LBPRGKRZSA-N 2 2 285.457 2.500 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@@H+](CC)[C@@H](C)COC)cs1 ZINC000052504651 519965058 /nfs/dbraw/zinc/96/50/58/519965058.db2.gz BGMTYMMIOFMKTO-LBPRGKRZSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000052419117 519990066 /nfs/dbraw/zinc/99/00/66/519990066.db2.gz ASBXMEILYULCLL-UHFFFAOYSA-N 2 2 271.364 2.342 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000052419117 519990072 /nfs/dbraw/zinc/99/00/72/519990072.db2.gz ASBXMEILYULCLL-UHFFFAOYSA-N 2 2 271.364 2.342 10 0 CEAELP CC[NH2+][C@@H](C)Cc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000061181983 520071995 /nfs/dbraw/zinc/07/19/95/520071995.db2.gz KFHHOARNTHLGTK-VIFPVBQESA-N 2 2 263.341 2.121 10 0 CEAELP CC[NH2+][C@H](C)Cc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000061181984 520175799 /nfs/dbraw/zinc/17/57/99/520175799.db2.gz KFHHOARNTHLGTK-SECBINFHSA-N 2 2 263.341 2.121 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+]1Cc2ccccc2C1)[NH2+]C ZINC000050912266 521319083 /nfs/dbraw/zinc/31/90/83/521319083.db2.gz CWUKWXKEFOXLRR-KRWDZBQOSA-N 2 2 290.407 2.324 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000052810966 521831659 /nfs/dbraw/zinc/83/16/59/521831659.db2.gz SNFDCAAZROHYFF-WDEREUQCSA-N 2 2 254.399 2.031 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)c(F)c1 ZINC000062802990 522647197 /nfs/dbraw/zinc/64/71/97/522647197.db2.gz JWQICCIOFXFIIV-GFCCVEGCSA-N 2 2 277.343 2.359 10 0 CEAELP C[N@H+]([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710104 523626094 /nfs/dbraw/zinc/62/60/94/523626094.db2.gz PAKRJQHDOLRIBY-CYBMUJFWSA-N 2 2 288.313 2.215 10 0 CEAELP C[N@@H+]([C@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710104 523626100 /nfs/dbraw/zinc/62/61/00/523626100.db2.gz PAKRJQHDOLRIBY-CYBMUJFWSA-N 2 2 288.313 2.215 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069266371 523682091 /nfs/dbraw/zinc/68/20/91/523682091.db2.gz XKPHBVNXLUZLDD-INIZCTEOSA-N 2 2 262.397 2.435 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069266371 523682098 /nfs/dbraw/zinc/68/20/98/523682098.db2.gz XKPHBVNXLUZLDD-INIZCTEOSA-N 2 2 262.397 2.435 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000053658277 523943715 /nfs/dbraw/zinc/94/37/15/523943715.db2.gz TUDYGWRDCJEQSS-CQSZACIVSA-N 2 2 280.387 2.274 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000053658277 523943718 /nfs/dbraw/zinc/94/37/18/523943718.db2.gz TUDYGWRDCJEQSS-CQSZACIVSA-N 2 2 280.387 2.274 10 0 CEAELP COCC[NH2+][C@@H](C[NH3+])c1csc2ccccc21 ZINC000054464643 523960644 /nfs/dbraw/zinc/96/06/44/523960644.db2.gz IZYJAOVYLBZHOT-LBPRGKRZSA-N 2 2 250.367 2.137 10 0 CEAELP C[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000049596116 523968397 /nfs/dbraw/zinc/96/83/97/523968397.db2.gz XTXRKJMLZAVZFP-GFCCVEGCSA-N 2 2 299.212 2.122 10 0 CEAELP C[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000049596116 523968400 /nfs/dbraw/zinc/96/84/00/523968400.db2.gz XTXRKJMLZAVZFP-GFCCVEGCSA-N 2 2 299.212 2.122 10 0 CEAELP C[C@H](C[C@](C)([NH3+])C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643026 524654558 /nfs/dbraw/zinc/65/45/58/524654558.db2.gz VPGVCPQRJUHDLN-HIFRSBDPSA-N 2 2 281.444 2.014 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1CCCOc1ccccc1 ZINC000062802927 524836602 /nfs/dbraw/zinc/83/66/02/524836602.db2.gz CNZMPPVWBBOIPJ-ZDUSSCGKSA-N 2 2 259.353 2.242 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757561 525006395 /nfs/dbraw/zinc/00/63/95/525006395.db2.gz KKEKCGQFNWENQI-WQVCFCJDSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757561 525006405 /nfs/dbraw/zinc/00/64/05/525006405.db2.gz KKEKCGQFNWENQI-WQVCFCJDSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1[nH+]c[nH]c1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000054794136 525462559 /nfs/dbraw/zinc/46/25/59/525462559.db2.gz LRVZJZGOQUETIJ-OAHLLOKOSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1nn(Cc2cn3ccccc3[nH+]2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803237 526299235 /nfs/dbraw/zinc/29/92/35/526299235.db2.gz TXNCYUNWXKORAB-LLVKDONJSA-N 2 2 283.379 2.086 10 0 CEAELP c1c2[nH]c(CC[C@H]3CCCC[NH2+]3)[nH+]c2cc2c1OCCO2 ZINC000050926745 526403657 /nfs/dbraw/zinc/40/36/57/526403657.db2.gz YPMOZAUNSCKTET-LLVKDONJSA-N 2 2 287.363 2.409 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382712 526774909 /nfs/dbraw/zinc/77/49/09/526774909.db2.gz WLWLBDMUXBYENU-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382712 526774910 /nfs/dbraw/zinc/77/49/10/526774910.db2.gz WLWLBDMUXBYENU-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1[nH]c(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000054822434 526888855 /nfs/dbraw/zinc/88/88/55/526888855.db2.gz AAMVFKHRCWEBCH-WFASDCNBSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH]cc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)[nH+]1 ZINC000054822434 526888859 /nfs/dbraw/zinc/88/88/59/526888859.db2.gz AAMVFKHRCWEBCH-WFASDCNBSA-N 2 2 264.417 2.318 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(F)cc1Cl ZINC000052304164 527199402 /nfs/dbraw/zinc/19/94/02/527199402.db2.gz BAUQVBDMUKACJZ-UHFFFAOYSA-N 2 2 253.708 2.225 10 0 CEAELP [NH3+]Cc1ccoc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374710 527261379 /nfs/dbraw/zinc/26/13/79/527261379.db2.gz ZGGZAHZIZFRKJV-UHFFFAOYSA-N 2 2 289.354 2.200 10 0 CEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708015 652706951 /nfs/dbraw/zinc/70/69/51/652706951.db2.gz HBBHGNZVWXIGLU-YWPUVAFDSA-N 2 2 294.361 2.464 10 0 CEAELP COc1ccc(Cl)cc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097008104 185150908 /nfs/dbraw/zinc/15/09/08/185150908.db2.gz SDOYOUYXBXLUPP-UHFFFAOYSA-N 2 2 263.728 2.221 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502606 361995879 /nfs/dbraw/zinc/99/58/79/361995879.db2.gz IMXXKKMAMHGHFX-MRXNPFEDSA-N 3 2 288.439 2.124 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502606 361995884 /nfs/dbraw/zinc/99/58/84/361995884.db2.gz IMXXKKMAMHGHFX-MRXNPFEDSA-N 3 2 288.439 2.124 10 0 CEAELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)c(Br)c1 ZINC000044472701 362153590 /nfs/dbraw/zinc/15/35/90/362153590.db2.gz FYRPTKQOISEHBW-MRVPVSSYSA-N 2 2 293.990 2.170 10 0 CEAELP C[NH2+][C@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137161664 344386860 /nfs/dbraw/zinc/38/68/60/344386860.db2.gz IMXNGKKYMRCQGU-SECBINFHSA-N 2 2 263.566 2.322 10 0 CEAELP COc1ccc(C([NH2+]CC[NH3+])c2ccc(OC)cc2)cc1 ZINC000141887637 344402004 /nfs/dbraw/zinc/40/20/04/344402004.db2.gz WQZGAAKHDZXBHS-UHFFFAOYSA-N 2 2 286.375 2.342 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)CC1CCSCC1 ZINC000097310163 185583827 /nfs/dbraw/zinc/58/38/27/185583827.db2.gz QUYQIVFXITYKBN-CYBMUJFWSA-N 2 2 267.442 2.474 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@](C)([NH3+])CO ZINC000085263022 178993478 /nfs/dbraw/zinc/99/34/78/178993478.db2.gz HIGNKQXTGBDZRM-ABAIWWIYSA-N 2 2 261.369 2.260 10 0 CEAELP CCc1[nH+]c2ccccc2n1CCC[C@](C)(O)C[NH3+] ZINC000085304561 179011845 /nfs/dbraw/zinc/01/18/45/179011845.db2.gz JPKFTZDXHNJTOT-HNNXBMFYSA-N 2 2 261.369 2.089 10 0 CEAELP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000085363095 179034709 /nfs/dbraw/zinc/03/47/09/179034709.db2.gz XTFDDPIOXFFDBQ-CHWSQXEVSA-N 2 2 270.336 2.143 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2[nH+]1 ZINC000085363953 179035299 /nfs/dbraw/zinc/03/52/99/179035299.db2.gz QINMMGMGRFVWFI-VXGBXAGGSA-N 2 2 272.352 2.327 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085397837 179050160 /nfs/dbraw/zinc/05/01/60/179050160.db2.gz OWKCHZROBPVBSW-BFHYXJOUSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CN(CCCn2cc[nH+]c2)[C@@](C)(CC)C[NH2+]1 ZINC000085474412 179077950 /nfs/dbraw/zinc/07/79/50/179077950.db2.gz QKIQUPVDXAMWPW-CABCVRRESA-N 2 2 264.417 2.126 10 0 CEAELP CC1(C)C[N@H+](C[C@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085471446 179075965 /nfs/dbraw/zinc/07/59/65/179075965.db2.gz IZWZJPDEDHFWEA-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP CC1(C)C[N@@H+](C[C@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085471446 179075967 /nfs/dbraw/zinc/07/59/67/179075967.db2.gz IZWZJPDEDHFWEA-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085509633 179085594 /nfs/dbraw/zinc/08/55/94/179085594.db2.gz VWBQNEJCRONINN-CXAGYDPISA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085512941 179086563 /nfs/dbraw/zinc/08/65/63/179086563.db2.gz LYYYWQIWUDRRSJ-AEGPPILISA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCOC ZINC000085512941 179086564 /nfs/dbraw/zinc/08/65/64/179086564.db2.gz LYYYWQIWUDRRSJ-AEGPPILISA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@]1(C)C[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515106 179086749 /nfs/dbraw/zinc/08/67/49/179086749.db2.gz CCQLONQMAIILKG-XHSDSOJGSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@]1(C)C[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085515106 179086751 /nfs/dbraw/zinc/08/67/51/179086751.db2.gz CCQLONQMAIILKG-XHSDSOJGSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085611426 179102124 /nfs/dbraw/zinc/10/21/24/179102124.db2.gz RRHCPSDGPORDKO-OAHLLOKOSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085611426 179102125 /nfs/dbraw/zinc/10/21/25/179102125.db2.gz RRHCPSDGPORDKO-OAHLLOKOSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@]1(C)C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616826 179103863 /nfs/dbraw/zinc/10/38/63/179103863.db2.gz KURLSTJBGHMQCU-LLVKDONJSA-N 2 2 268.323 2.029 10 0 CEAELP CC[C@]1(C)C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616826 179103866 /nfs/dbraw/zinc/10/38/66/179103866.db2.gz KURLSTJBGHMQCU-LLVKDONJSA-N 2 2 268.323 2.029 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1F ZINC000336829510 365892063 /nfs/dbraw/zinc/89/20/63/365892063.db2.gz ASYOMNODPGXBOK-WFASDCNBSA-N 2 2 280.387 2.240 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000336829510 365892067 /nfs/dbraw/zinc/89/20/67/365892067.db2.gz ASYOMNODPGXBOK-WFASDCNBSA-N 2 2 280.387 2.240 10 0 CEAELP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1CC1CC[NH+](C)CC1 ZINC000086258973 179256750 /nfs/dbraw/zinc/25/67/50/179256750.db2.gz JQOWBEIKTRDVAT-QAPCUYQASA-N 2 2 287.451 2.363 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](C[C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086292438 179267007 /nfs/dbraw/zinc/26/70/07/179267007.db2.gz ILNFCFAOQDCHGT-ROUUACIJSA-N 2 2 288.435 2.320 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](C[C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086292438 179267009 /nfs/dbraw/zinc/26/70/09/179267009.db2.gz ILNFCFAOQDCHGT-ROUUACIJSA-N 2 2 288.435 2.320 10 0 CEAELP [NH3+]CCCc1[nH]c2cc(Br)c(F)cc2[nH+]1 ZINC000086598575 179310835 /nfs/dbraw/zinc/31/08/35/179310835.db2.gz MJSMMBISBJFLJV-UHFFFAOYSA-N 2 2 272.121 2.356 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842884 179352625 /nfs/dbraw/zinc/35/26/25/179352625.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842884 179352627 /nfs/dbraw/zinc/35/26/27/179352627.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 3 2 269.477 2.425 10 0 CEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)no1 ZINC000086843469 179353788 /nfs/dbraw/zinc/35/37/88/179353788.db2.gz YLATYBMMUQSEOU-CYBMUJFWSA-N 2 2 251.374 2.336 10 0 CEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)no1 ZINC000086843469 179353790 /nfs/dbraw/zinc/35/37/90/179353790.db2.gz YLATYBMMUQSEOU-CYBMUJFWSA-N 2 2 251.374 2.336 10 0 CEAELP CC[C@H]1CCC[C@](C(=O)OC)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915576 179367333 /nfs/dbraw/zinc/36/73/33/179367333.db2.gz LEZZCOSONMPSRY-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@H]1CCC[C@](C(=O)OC)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086915576 179367334 /nfs/dbraw/zinc/36/73/34/179367334.db2.gz LEZZCOSONMPSRY-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994830 179376398 /nfs/dbraw/zinc/37/63/98/179376398.db2.gz KIHWAACTKLXCQR-SWLSCSKDSA-N 2 2 266.360 2.437 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994830 179376399 /nfs/dbraw/zinc/37/63/99/179376399.db2.gz KIHWAACTKLXCQR-SWLSCSKDSA-N 2 2 266.360 2.437 10 0 CEAELP C[C@@H]1CCC[C@@](O)(C[NH2+]C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087051485 179388567 /nfs/dbraw/zinc/38/85/67/179388567.db2.gz GWNDJVHDYYZJQR-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@@](O)(C[NH2+]C[C@@H]2CCCC[N@H+]2C)C1 ZINC000087051485 179388569 /nfs/dbraw/zinc/38/85/69/179388569.db2.gz GWNDJVHDYYZJQR-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1CCCOCC(F)(F)F ZINC000087320822 179412803 /nfs/dbraw/zinc/41/28/03/179412803.db2.gz NLEDZBZTTBKUAS-UHFFFAOYSA-N 2 2 279.306 2.270 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616619731 348536507 /nfs/dbraw/zinc/53/65/07/348536507.db2.gz AINJLXBCLBWKLD-HNNXBMFYSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616619731 348536509 /nfs/dbraw/zinc/53/65/09/348536509.db2.gz AINJLXBCLBWKLD-HNNXBMFYSA-N 2 2 276.380 2.001 10 0 CEAELP Nc1cccc([C@H]2c3ccccc3CC[N@H+]2CC[NH3+])c1 ZINC000616678208 348558171 /nfs/dbraw/zinc/55/81/71/348558171.db2.gz BSSLYRHONUQYNH-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1cccc([C@H]2c3ccccc3CC[N@@H+]2CC[NH3+])c1 ZINC000616678208 348558174 /nfs/dbraw/zinc/55/81/74/348558174.db2.gz BSSLYRHONUQYNH-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP Cc1c[nH+]c(N[C@H](CC(C)C)C[NH+](C)C)c(N)c1 ZINC000090691015 180024548 /nfs/dbraw/zinc/02/45/48/180024548.db2.gz CMARKWLLWMWEEI-GFCCVEGCSA-N 2 2 250.390 2.360 10 0 CEAELP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693371 180025291 /nfs/dbraw/zinc/02/52/91/180025291.db2.gz GSVCACQFMMGFRD-GJZGRUSLSA-N 2 2 295.471 2.288 10 0 CEAELP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693371 180025292 /nfs/dbraw/zinc/02/52/92/180025292.db2.gz GSVCACQFMMGFRD-GJZGRUSLSA-N 2 2 295.471 2.288 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090695697 180026470 /nfs/dbraw/zinc/02/64/70/180026470.db2.gz NQJGXWBVCWXGMI-VWYCJHECSA-N 2 2 250.308 2.259 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090695697 180026471 /nfs/dbraw/zinc/02/64/71/180026471.db2.gz NQJGXWBVCWXGMI-VWYCJHECSA-N 2 2 250.308 2.259 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000104449636 186005891 /nfs/dbraw/zinc/00/58/91/186005891.db2.gz FTAQHEPNGOJVBU-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000104449636 186005893 /nfs/dbraw/zinc/00/58/93/186005893.db2.gz FTAQHEPNGOJVBU-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP CCC[N@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876259 180050644 /nfs/dbraw/zinc/05/06/44/180050644.db2.gz OKVYRQGZUKYGQE-HZPDHXFCSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[N@@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876259 180050647 /nfs/dbraw/zinc/05/06/47/180050647.db2.gz OKVYRQGZUKYGQE-HZPDHXFCSA-N 2 2 274.408 2.454 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892419 180054050 /nfs/dbraw/zinc/05/40/50/180054050.db2.gz UOUJEXLGVZGXBW-SMDDNHRTSA-N 2 2 275.327 2.004 10 0 CEAELP Fc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893522 180054769 /nfs/dbraw/zinc/05/47/69/180054769.db2.gz HAASZLNSXYEGTB-CVEARBPZSA-N 2 2 290.382 2.346 10 0 CEAELP Fc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893522 180054771 /nfs/dbraw/zinc/05/47/71/180054771.db2.gz HAASZLNSXYEGTB-CVEARBPZSA-N 2 2 290.382 2.346 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])O2 ZINC000090898911 180058030 /nfs/dbraw/zinc/05/80/30/180058030.db2.gz QVWJLFPACGGOOR-HUUCEWRRSA-N 2 2 260.381 2.112 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[N@H+]1CCCC[C@@H]1C[NH3+])O2 ZINC000090898911 180058032 /nfs/dbraw/zinc/05/80/32/180058032.db2.gz QVWJLFPACGGOOR-HUUCEWRRSA-N 2 2 260.381 2.112 10 0 CEAELP Clc1ccc2c(c1)C[C@@H](C[NH2+]CC[NH+]1CCCC1)O2 ZINC000090904644 180059715 /nfs/dbraw/zinc/05/97/15/180059715.db2.gz CUYBTRUMBDUKRB-AWEZNQCLSA-N 2 2 280.799 2.329 10 0 CEAELP C([NH2+]C1CC1)C1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907603 180062048 /nfs/dbraw/zinc/06/20/48/180062048.db2.gz SRMIWSKRQBQIKC-GASCZTMLSA-N 2 2 264.413 2.162 10 0 CEAELP C([NH2+]C1CC1)C1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907603 180062050 /nfs/dbraw/zinc/06/20/50/180062050.db2.gz SRMIWSKRQBQIKC-GASCZTMLSA-N 2 2 264.413 2.162 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907900 180062304 /nfs/dbraw/zinc/06/23/04/180062304.db2.gz GIJWLYSDELFCBW-GASCZTMLSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907900 180062306 /nfs/dbraw/zinc/06/23/06/180062306.db2.gz GIJWLYSDELFCBW-GASCZTMLSA-N 2 2 278.396 2.449 10 0 CEAELP Nc1ccsc1C[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000090959941 180075622 /nfs/dbraw/zinc/07/56/22/180075622.db2.gz CCPXZYYZRGBFKY-RYUDHWBXSA-N 2 2 262.382 2.410 10 0 CEAELP CC(=O)Nc1ccccc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000090962083 180076465 /nfs/dbraw/zinc/07/64/65/180076465.db2.gz ONCLRWYARNPCJV-GFCCVEGCSA-N 2 2 272.352 2.020 10 0 CEAELP CC(C)n1c[nH+]cc1CN1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000091273038 180118017 /nfs/dbraw/zinc/11/80/17/180118017.db2.gz VYANSWJWVVPNRK-CHWSQXEVSA-N 2 2 250.390 2.166 10 0 CEAELP CCCN(Cc1c[nH+]cn1C1CC1)[C@H]1CCC[NH2+]C1 ZINC000091277059 180119786 /nfs/dbraw/zinc/11/97/86/180119786.db2.gz MIFMGDGZWQSNEJ-AWEZNQCLSA-N 2 2 262.401 2.182 10 0 CEAELP CCC(CC)N(CCOC)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276436 180120530 /nfs/dbraw/zinc/12/05/30/180120530.db2.gz MLAZXQZHSLJGQA-OAHLLOKOSA-N 2 2 294.443 2.355 10 0 CEAELP C[N@H+](CCC[NH2+]Cc1cnco1)C1CCCCC1 ZINC000091410721 180149130 /nfs/dbraw/zinc/14/91/30/180149130.db2.gz ROJWQXJPGMTPFG-UHFFFAOYSA-N 2 2 251.374 2.419 10 0 CEAELP C[N@@H+](CCC[NH2+]Cc1cnco1)C1CCCCC1 ZINC000091410721 180149131 /nfs/dbraw/zinc/14/91/31/180149131.db2.gz ROJWQXJPGMTPFG-UHFFFAOYSA-N 2 2 251.374 2.419 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncnn1CC)C(C)(C)[NH+]1CCCC1 ZINC000091563698 180192913 /nfs/dbraw/zinc/19/29/13/180192913.db2.gz DKVXWNHJEDDFJF-AWEZNQCLSA-N 2 2 293.459 2.083 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599264 180202365 /nfs/dbraw/zinc/20/23/65/180202365.db2.gz XOXSBMUTCIEJAM-CABCVRRESA-N 2 2 266.433 2.061 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607208 180204331 /nfs/dbraw/zinc/20/43/31/180204331.db2.gz WUVKKVNXISOLNP-DLBZAZTESA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607208 180204333 /nfs/dbraw/zinc/20/43/33/180204333.db2.gz WUVKKVNXISOLNP-DLBZAZTESA-N 2 2 290.455 2.449 10 0 CEAELP CC[C@@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)[NH+](C)C)n1 ZINC000091528611 180180408 /nfs/dbraw/zinc/18/04/08/180180408.db2.gz CIKQGZPYNGAORK-OCCSQVGLSA-N 2 2 266.433 2.325 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(F)cc1F)C(C)(C)[NH+](C)C ZINC000091528799 180180668 /nfs/dbraw/zinc/18/06/68/180180668.db2.gz LQGAVNXZUIYHTQ-ZDUSSCGKSA-N 2 2 256.340 2.436 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H](O)C2([NH+](C)C)CCCC2)c1C ZINC000091636397 180211238 /nfs/dbraw/zinc/21/12/38/180211238.db2.gz UZZUQFRJVCXQGU-OAHLLOKOSA-N 2 2 292.423 2.485 10 0 CEAELP CCC(CC)([C@@H]([NH3+])Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634759 180211683 /nfs/dbraw/zinc/21/16/83/180211683.db2.gz JGPRPMJRPNZZFH-HNNXBMFYSA-N 3 2 276.428 2.188 10 0 CEAELP [NH3+][C@H](CC1CCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643095 180214208 /nfs/dbraw/zinc/21/42/08/180214208.db2.gz PWVZDQNTLYVCFN-CQSZACIVSA-N 2 2 252.402 2.149 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@H+](C)CCC[NH+](C)C)o1 ZINC000091782613 180254874 /nfs/dbraw/zinc/25/48/74/180254874.db2.gz YCDPABPTNXCQHM-NSHDSACASA-N 2 2 268.357 2.011 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCC[NH+](C)C)o1 ZINC000091782613 180254876 /nfs/dbraw/zinc/25/48/76/180254876.db2.gz YCDPABPTNXCQHM-NSHDSACASA-N 2 2 268.357 2.011 10 0 CEAELP CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054163 180313356 /nfs/dbraw/zinc/31/33/56/180313356.db2.gz TXJOJXAACYMABS-BBRMVZONSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@@H](C)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054163 180313358 /nfs/dbraw/zinc/31/33/58/180313358.db2.gz TXJOJXAACYMABS-BBRMVZONSA-N 2 2 278.396 2.067 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092082922 180319721 /nfs/dbraw/zinc/31/97/21/180319721.db2.gz YCKBAHNLPWHJEL-GUTXKFCHSA-N 2 2 290.407 2.436 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092082922 180319722 /nfs/dbraw/zinc/31/97/22/180319722.db2.gz YCKBAHNLPWHJEL-GUTXKFCHSA-N 2 2 290.407 2.436 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](C[NH3+])N1C[C@H](C)[C@H](C)C1 ZINC000092082331 180319726 /nfs/dbraw/zinc/31/97/26/180319726.db2.gz NWOPEUWRZPAYEJ-XQQFMLRXSA-N 2 2 250.390 2.052 10 0 CEAELP C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3S2)C[C@@H]1[NH3+] ZINC000092267829 180355817 /nfs/dbraw/zinc/35/58/17/180355817.db2.gz OVFLKCRLYNXFBP-XBFCOCLRSA-N 2 2 262.422 2.373 10 0 CEAELP C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3S2)C[C@@H]1[NH3+] ZINC000092267829 180355819 /nfs/dbraw/zinc/35/58/19/180355819.db2.gz OVFLKCRLYNXFBP-XBFCOCLRSA-N 2 2 262.422 2.373 10 0 CEAELP COCC[N@H+](C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275476 180356418 /nfs/dbraw/zinc/35/64/18/180356418.db2.gz HTVLUJLRPMHWOJ-CYBMUJFWSA-N 2 2 280.437 2.044 10 0 CEAELP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275476 180356420 /nfs/dbraw/zinc/35/64/20/180356420.db2.gz HTVLUJLRPMHWOJ-CYBMUJFWSA-N 2 2 280.437 2.044 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300443 180358692 /nfs/dbraw/zinc/35/86/92/180358692.db2.gz DULIPHATGGMBAE-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300443 180358693 /nfs/dbraw/zinc/35/86/93/180358693.db2.gz DULIPHATGGMBAE-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CCC(CC)[N@H+](CCOC)Cc1cccc(NN)[nH+]1 ZINC000092369691 180370475 /nfs/dbraw/zinc/37/04/75/180370475.db2.gz XAIYOSLPFKTOKY-UHFFFAOYSA-N 2 2 266.389 2.004 10 0 CEAELP CCC(CC)[N@@H+](CCOC)Cc1cccc(NN)[nH+]1 ZINC000092369691 180370478 /nfs/dbraw/zinc/37/04/78/180370478.db2.gz XAIYOSLPFKTOKY-UHFFFAOYSA-N 2 2 266.389 2.004 10 0 CEAELP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417259 180381138 /nfs/dbraw/zinc/38/11/38/180381138.db2.gz ZAWDPYYPCKWSHD-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417259 180381139 /nfs/dbraw/zinc/38/11/39/180381139.db2.gz ZAWDPYYPCKWSHD-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP CCOc1cc(C)c(C[N@H+](C)CC[NH3+])cc1Cl ZINC000107296398 186167631 /nfs/dbraw/zinc/16/76/31/186167631.db2.gz GTHRBSQEUNFRGF-UHFFFAOYSA-N 2 2 256.777 2.438 10 0 CEAELP CCOc1cc(C)c(C[N@@H+](C)CC[NH3+])cc1Cl ZINC000107296398 186167633 /nfs/dbraw/zinc/16/76/33/186167633.db2.gz GTHRBSQEUNFRGF-UHFFFAOYSA-N 2 2 256.777 2.438 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@@H]([NH3+])C3)c(OC)c1 ZINC000107827918 186194388 /nfs/dbraw/zinc/19/43/88/186194388.db2.gz AOIHRCYHBNWWSN-WDEREUQCSA-N 2 2 287.363 2.402 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+](CCC(C)C)C1CC1 ZINC000109623876 186268678 /nfs/dbraw/zinc/26/86/78/186268678.db2.gz SFCBWSFGRSGXNE-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](CCC(C)C)C1CC1 ZINC000109623876 186268679 /nfs/dbraw/zinc/26/86/79/186268679.db2.gz SFCBWSFGRSGXNE-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP CCOC(=O)C[N@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109684842 186269054 /nfs/dbraw/zinc/26/90/54/186269054.db2.gz QWGIEUKGWCOALL-BFHYXJOUSA-N 2 2 270.417 2.025 10 0 CEAELP CCOC(=O)C[N@@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109684842 186269055 /nfs/dbraw/zinc/26/90/55/186269055.db2.gz QWGIEUKGWCOALL-BFHYXJOUSA-N 2 2 270.417 2.025 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000110751141 186321016 /nfs/dbraw/zinc/32/10/16/186321016.db2.gz CFSXHFKCUOJBME-AWEZNQCLSA-N 2 2 279.428 2.161 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000110751141 186321018 /nfs/dbraw/zinc/32/10/18/186321018.db2.gz CFSXHFKCUOJBME-AWEZNQCLSA-N 2 2 279.428 2.161 10 0 CEAELP CCOCC[N@H+](CC)C[C@](C)([NH3+])c1ccccc1 ZINC000111125493 186354620 /nfs/dbraw/zinc/35/46/20/186354620.db2.gz RENCKRPHKVQXOV-HNNXBMFYSA-N 2 2 250.386 2.219 10 0 CEAELP CCOCC[N@@H+](CC)C[C@](C)([NH3+])c1ccccc1 ZINC000111125493 186354622 /nfs/dbraw/zinc/35/46/22/186354622.db2.gz RENCKRPHKVQXOV-HNNXBMFYSA-N 2 2 250.386 2.219 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@H+](C)CCC[NH+](C)C ZINC000111148070 186358234 /nfs/dbraw/zinc/35/82/34/186358234.db2.gz WFNDLEDTTNEPIR-OAHLLOKOSA-N 3 2 255.450 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@@H+](C)CCC[NH+](C)C ZINC000111148070 186358236 /nfs/dbraw/zinc/35/82/36/186358236.db2.gz WFNDLEDTTNEPIR-OAHLLOKOSA-N 3 2 255.450 2.038 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155100 186359719 /nfs/dbraw/zinc/35/97/19/186359719.db2.gz UQXQKMODCOTKSE-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155100 186359721 /nfs/dbraw/zinc/35/97/21/186359721.db2.gz UQXQKMODCOTKSE-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154799 186360311 /nfs/dbraw/zinc/36/03/11/186360311.db2.gz QZGAGPLUSZUKAG-RYUDHWBXSA-N 2 2 254.399 2.106 10 0 CEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154799 186360312 /nfs/dbraw/zinc/36/03/12/186360312.db2.gz QZGAGPLUSZUKAG-RYUDHWBXSA-N 2 2 254.399 2.106 10 0 CEAELP C[N@H+](Cc1ccncc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325727 186398786 /nfs/dbraw/zinc/39/87/86/186398786.db2.gz MHXPEGITUPBHQP-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1ccncc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325727 186398788 /nfs/dbraw/zinc/39/87/88/186398788.db2.gz MHXPEGITUPBHQP-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP CC(C)c1nc(C2([NH2+]CCn3cc[nH+]c3)CCCC2)no1 ZINC000131519763 366061574 /nfs/dbraw/zinc/06/15/74/366061574.db2.gz QXDIBCQVEOAJKO-UHFFFAOYSA-N 2 2 289.383 2.449 10 0 CEAELP C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000630572674 351788771 /nfs/dbraw/zinc/78/87/71/351788771.db2.gz RCABBCVHJZGTSB-IUCAKERBSA-N 2 2 259.275 2.131 10 0 CEAELP CC1(C)[C@H]([NH2+]CC[NH+]2CCCCCC2)[C@@H]2CCO[C@@H]21 ZINC000085636547 363835925 /nfs/dbraw/zinc/83/59/25/363835925.db2.gz HTKUPWJXVWUNFH-ZNMIVQPWSA-N 2 2 266.429 2.266 10 0 CEAELP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000120371448 365416004 /nfs/dbraw/zinc/41/60/04/365416004.db2.gz PZIHKDOHTVXXBT-CHWSQXEVSA-N 2 2 277.416 2.123 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000246311484 370945360 /nfs/dbraw/zinc/94/53/60/370945360.db2.gz BVPZUJRGNDWSCA-KBPBESRZSA-N 2 2 291.395 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000246311484 370945365 /nfs/dbraw/zinc/94/53/65/370945365.db2.gz BVPZUJRGNDWSCA-KBPBESRZSA-N 2 2 291.395 2.036 10 0 CEAELP O[C@@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721907 369845481 /nfs/dbraw/zinc/84/54/81/369845481.db2.gz KECQZYCZENWYDY-DZGCQCFKSA-N 2 2 278.396 2.093 10 0 CEAELP Cc1cc[nH+]c(N[C@H](C)CC[NH3+])c1Br ZINC000235443586 370566263 /nfs/dbraw/zinc/56/62/63/370566263.db2.gz HUBDMDJCWGNXDQ-MRVPVSSYSA-N 2 2 258.163 2.302 10 0 CEAELP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247455912 371110652 /nfs/dbraw/zinc/11/06/52/371110652.db2.gz ZWSOMUCAZAZOAG-UONOGXRCSA-N 2 2 291.395 2.075 10 0 CEAELP CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247455912 371110657 /nfs/dbraw/zinc/11/06/57/371110657.db2.gz ZWSOMUCAZAZOAG-UONOGXRCSA-N 2 2 291.395 2.075 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252716371 371472996 /nfs/dbraw/zinc/47/29/96/371472996.db2.gz YHAVQLFBQVKALF-ZNMIVQPWSA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252716371 371473003 /nfs/dbraw/zinc/47/30/03/371473003.db2.gz YHAVQLFBQVKALF-ZNMIVQPWSA-N 2 2 267.461 2.178 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)[C@@H]1C ZINC000261599928 371670797 /nfs/dbraw/zinc/67/07/97/371670797.db2.gz WGOANOQNRZGZJM-WCVJEAGWSA-N 2 2 295.471 2.001 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)[C@@H]1C ZINC000261599928 371670821 /nfs/dbraw/zinc/67/08/21/371670821.db2.gz WGOANOQNRZGZJM-WCVJEAGWSA-N 2 2 295.471 2.001 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1[NH3+] ZINC000261990467 371792813 /nfs/dbraw/zinc/79/28/13/371792813.db2.gz KEQQBIBUTBJTIU-GXFFZTMASA-N 2 2 270.323 2.110 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@H]1[NH3+] ZINC000261990467 371792820 /nfs/dbraw/zinc/79/28/20/371792820.db2.gz KEQQBIBUTBJTIU-GXFFZTMASA-N 2 2 270.323 2.110 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000261986669 371790749 /nfs/dbraw/zinc/79/07/49/371790749.db2.gz JVLSQUXIJYIETJ-GUYCJALGSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000261986669 371790753 /nfs/dbraw/zinc/79/07/53/371790753.db2.gz JVLSQUXIJYIETJ-GUYCJALGSA-N 2 2 284.407 2.175 10 0 CEAELP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000262644740 371891928 /nfs/dbraw/zinc/89/19/28/371891928.db2.gz MXCGVKGNHJKMTD-RYUDHWBXSA-N 2 2 270.336 2.143 10 0 CEAELP c1ccc(Nc2cc(N[C@H]3CCC[NH2+]C3)nc[nH+]2)cc1 ZINC000057330522 542180923 /nfs/dbraw/zinc/18/09/23/542180923.db2.gz IQNGJYWQGWTTEA-ZDUSSCGKSA-N 2 2 269.352 2.384 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000130188166 249315120 /nfs/dbraw/zinc/31/51/20/249315120.db2.gz HQVZCFWJDYVXKX-AWEZNQCLSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000130188166 249315125 /nfs/dbraw/zinc/31/51/25/249315125.db2.gz HQVZCFWJDYVXKX-AWEZNQCLSA-N 2 2 273.384 2.016 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579870 380631542 /nfs/dbraw/zinc/63/15/42/380631542.db2.gz QADFZTBHPPAZQC-BBRMVZONSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579870 380631546 /nfs/dbraw/zinc/63/15/46/380631546.db2.gz QADFZTBHPPAZQC-BBRMVZONSA-N 2 2 260.381 2.453 10 0 CEAELP CC[NH2+][C@H](C1CCCC1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927904 184744661 /nfs/dbraw/zinc/74/46/61/184744661.db2.gz CMWITNGWSSIRRC-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H](C1CCCC1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927904 184744662 /nfs/dbraw/zinc/74/46/62/184744662.db2.gz CMWITNGWSSIRRC-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@@H]1CC(c2ccc3c(c2)CCCN3C)=[NH+]NC1=[NH2+] ZINC000084240057 135033057 /nfs/dbraw/zinc/03/30/57/135033057.db2.gz HWCCVVOLSZFGOR-SNVBAGLBSA-N 2 2 256.353 2.170 10 0 CEAELP CC[C@@H]1C[NH2+]CCN1c1ccc([NH+]2CCCC2)cc1 ZINC000086177811 135039748 /nfs/dbraw/zinc/03/97/48/135039748.db2.gz ZXBZYWDCOHSCRE-CQSZACIVSA-N 2 2 259.397 2.475 10 0 CEAELP Cc1cccc(N2CC[NH+]([C@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000090695436 135064182 /nfs/dbraw/zinc/06/41/82/135064182.db2.gz FATJMEXDKRIEKW-RDJZCZTQSA-N 2 2 273.424 2.115 10 0 CEAELP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182923465 395249437 /nfs/dbraw/zinc/24/94/37/395249437.db2.gz XVIUBGVOCPUGIO-WMLDXEAASA-N 2 2 294.414 2.409 10 0 CEAELP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000186417088 395290463 /nfs/dbraw/zinc/29/04/63/395290463.db2.gz QRSGFNURBZLDDG-XHSDSOJGSA-N 2 2 266.429 2.241 10 0 CEAELP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000186417088 395290466 /nfs/dbraw/zinc/29/04/66/395290466.db2.gz QRSGFNURBZLDDG-XHSDSOJGSA-N 2 2 266.429 2.241 10 0 CEAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000195422343 395466483 /nfs/dbraw/zinc/46/64/83/395466483.db2.gz JHSKMEOJHSOGBN-IJEWVQPXSA-N 2 2 292.423 2.339 10 0 CEAELP C[C@H]([NH2+]Cc1nccc(N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189919140 153112687 /nfs/dbraw/zinc/11/26/87/153112687.db2.gz PGYSVPMKTKZFOA-LBPRGKRZSA-N 2 2 294.362 2.095 10 0 CEAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)c1OC ZINC000020226680 171091601 /nfs/dbraw/zinc/09/16/01/171091601.db2.gz DQCZCVDHZJKPRD-CYBMUJFWSA-N 2 2 264.369 2.045 10 0 CEAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c1OC ZINC000020226680 171091603 /nfs/dbraw/zinc/09/16/03/171091603.db2.gz DQCZCVDHZJKPRD-CYBMUJFWSA-N 2 2 264.369 2.045 10 0 CEAELP [NH3+]C[C@@]1([NH+]2CCSCC2)CCCc2ccccc21 ZINC000020257100 171111697 /nfs/dbraw/zinc/11/16/97/171111697.db2.gz WZZBMODWKBWGPS-HNNXBMFYSA-N 2 2 262.422 2.226 10 0 CEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)s1 ZINC000035382280 172164656 /nfs/dbraw/zinc/16/46/56/172164656.db2.gz ZZSWEVDBCBXFRX-LURJTMIESA-N 2 2 272.171 2.476 10 0 CEAELP COC1CC[NH+](C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037266490 173076618 /nfs/dbraw/zinc/07/66/18/173076618.db2.gz RWDBMAWOASZXLZ-IPYPFGDCSA-N 2 2 252.402 2.018 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502908 174298985 /nfs/dbraw/zinc/29/89/85/174298985.db2.gz YMFZAUIGHBUCSW-SWLSCSKDSA-N 2 2 290.411 2.312 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502908 174298987 /nfs/dbraw/zinc/29/89/87/174298987.db2.gz YMFZAUIGHBUCSW-SWLSCSKDSA-N 2 2 290.411 2.312 10 0 CEAELP CCOc1cccc(C[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040639406 174363775 /nfs/dbraw/zinc/36/37/75/174363775.db2.gz XAZIGCMQNYFGPS-UHFFFAOYSA-N 2 2 259.353 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)C1CCOCC1 ZINC000043335323 175011271 /nfs/dbraw/zinc/01/12/71/175011271.db2.gz IONNMBRBOIJUHZ-GXTWGEPZSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)C1CCOCC1 ZINC000043335323 175011272 /nfs/dbraw/zinc/01/12/72/175011272.db2.gz IONNMBRBOIJUHZ-GXTWGEPZSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340941 175015092 /nfs/dbraw/zinc/01/50/92/175015092.db2.gz RHGCWXAKJKANCF-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340941 175015093 /nfs/dbraw/zinc/01/50/93/175015093.db2.gz RHGCWXAKJKANCF-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354386 175021437 /nfs/dbraw/zinc/02/14/37/175021437.db2.gz LBPQKPWKEWNRSJ-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354386 175021438 /nfs/dbraw/zinc/02/14/38/175021438.db2.gz LBPQKPWKEWNRSJ-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C2CCOCC2)o1 ZINC000043364460 175025911 /nfs/dbraw/zinc/02/59/11/175025911.db2.gz SLINXOBSBBQRAV-SMDDNHRTSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C2CCOCC2)o1 ZINC000043364460 175025913 /nfs/dbraw/zinc/02/59/13/175025913.db2.gz SLINXOBSBBQRAV-SMDDNHRTSA-N 2 2 252.358 2.087 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCCO)C(C)C ZINC000043365169 175026915 /nfs/dbraw/zinc/02/69/15/175026915.db2.gz XDYCRFPROJNTQA-HIFRSBDPSA-N 2 2 268.401 2.459 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCCO)C(C)C ZINC000043365169 175026917 /nfs/dbraw/zinc/02/69/17/175026917.db2.gz XDYCRFPROJNTQA-HIFRSBDPSA-N 2 2 268.401 2.459 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898363 175121355 /nfs/dbraw/zinc/12/13/55/175121355.db2.gz UUXPHPIWQUKBNT-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898363 175121357 /nfs/dbraw/zinc/12/13/57/175121357.db2.gz UUXPHPIWQUKBNT-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCC(CC)CC1 ZINC000043913614 175124360 /nfs/dbraw/zinc/12/43/60/175124360.db2.gz SLFIPWPWKMDSGX-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965895 175126954 /nfs/dbraw/zinc/12/69/54/175126954.db2.gz LZKGFCTUWIQTGC-XOKHGSTOSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965895 175126956 /nfs/dbraw/zinc/12/69/56/175126956.db2.gz LZKGFCTUWIQTGC-XOKHGSTOSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)CC1CCCCC1)OCCO2 ZINC000043968231 175129851 /nfs/dbraw/zinc/12/98/51/175129851.db2.gz UPQXOEHFRHKSDH-CVEARBPZSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)CC1CCCCC1)OCCO2 ZINC000043968231 175129853 /nfs/dbraw/zinc/12/98/53/175129853.db2.gz UPQXOEHFRHKSDH-CVEARBPZSA-N 2 2 296.455 2.382 10 0 CEAELP CCC[NH2+][C@H](CC)[C@H](C)[N@H+](CCCOC)CCOC ZINC000043971086 175131820 /nfs/dbraw/zinc/13/18/20/175131820.db2.gz MMQQYFFBRJIJRD-LSDHHAIUSA-N 2 2 274.449 2.138 10 0 CEAELP CCC[NH2+][C@H](CC)[C@H](C)[N@@H+](CCCOC)CCOC ZINC000043971086 175131821 /nfs/dbraw/zinc/13/18/21/175131821.db2.gz MMQQYFFBRJIJRD-LSDHHAIUSA-N 2 2 274.449 2.138 10 0 CEAELP CCC[NH2+][C@@H](C[N@H+](CCCOC)CCOC)C(C)(C)C ZINC000043971060 175132101 /nfs/dbraw/zinc/13/21/01/175132101.db2.gz IHADGKAACRFQDM-HNNXBMFYSA-N 2 2 288.476 2.386 10 0 CEAELP CCC[NH2+][C@@H](C[N@@H+](CCCOC)CCOC)C(C)(C)C ZINC000043971060 175132102 /nfs/dbraw/zinc/13/21/02/175132102.db2.gz IHADGKAACRFQDM-HNNXBMFYSA-N 2 2 288.476 2.386 10 0 CEAELP [NH3+][C@@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044732430 175241080 /nfs/dbraw/zinc/24/10/80/175241080.db2.gz YGGVZHDNHJWQGB-OAHLLOKOSA-N 2 2 257.337 2.298 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000045043679 175295436 /nfs/dbraw/zinc/29/54/36/175295436.db2.gz DQRHFFLVJQNFTP-FZMZJTMJSA-N 2 2 268.426 2.421 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000045043679 175295437 /nfs/dbraw/zinc/29/54/37/175295437.db2.gz DQRHFFLVJQNFTP-FZMZJTMJSA-N 2 2 268.426 2.421 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000045043549 175295728 /nfs/dbraw/zinc/29/57/28/175295728.db2.gz ZLKAPMPASBDGFT-AWEZNQCLSA-N 2 2 268.426 2.466 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000045043549 175295730 /nfs/dbraw/zinc/29/57/30/175295730.db2.gz ZLKAPMPASBDGFT-AWEZNQCLSA-N 2 2 268.426 2.466 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH+]2Cc3ccc(N)cc3C2)C1 ZINC000045136408 175313929 /nfs/dbraw/zinc/31/39/29/175313929.db2.gz NKDHVROCDCQOGL-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH+]2Cc3ccc(N)cc3C2)C1 ZINC000045136408 175313930 /nfs/dbraw/zinc/31/39/30/175313930.db2.gz NKDHVROCDCQOGL-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@@H+]2Cc3ccc(N)cc3C2)C1 ZINC000045136408 175313931 /nfs/dbraw/zinc/31/39/31/175313931.db2.gz NKDHVROCDCQOGL-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@H+]2Cc3ccc(N)cc3C2)C1 ZINC000045136408 175313933 /nfs/dbraw/zinc/31/39/33/175313933.db2.gz NKDHVROCDCQOGL-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377531 175367217 /nfs/dbraw/zinc/36/72/17/175367217.db2.gz MSINOKGKMSONMG-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420041 175378777 /nfs/dbraw/zinc/37/87/77/175378777.db2.gz WHJGGHKLFRZGDZ-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420041 175378778 /nfs/dbraw/zinc/37/87/78/175378778.db2.gz WHJGGHKLFRZGDZ-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090852 176031010 /nfs/dbraw/zinc/03/10/10/176031010.db2.gz CCONAKFKXOXOET-WMLDXEAASA-N 2 2 274.408 2.374 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000071162182 176046776 /nfs/dbraw/zinc/04/67/76/176046776.db2.gz DOCFDOHSQXWMTL-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191483 176070111 /nfs/dbraw/zinc/07/01/11/176070111.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191483 176070112 /nfs/dbraw/zinc/07/01/12/176070112.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191483 176070113 /nfs/dbraw/zinc/07/01/13/176070113.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 3 2 269.477 2.284 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191483 176070114 /nfs/dbraw/zinc/07/01/14/176070114.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200752 176077622 /nfs/dbraw/zinc/07/76/22/176077622.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200752 176077623 /nfs/dbraw/zinc/07/76/23/176077623.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@H]1CCC[NH+](CCCC[N@H+](C)C(C)C)C1 ZINC000071200752 176077625 /nfs/dbraw/zinc/07/76/25/176077625.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@H]1CCC[NH+](CCCC[N@@H+](C)C(C)C)C1 ZINC000071200752 176077626 /nfs/dbraw/zinc/07/76/26/176077626.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 3 2 255.450 2.181 10 0 CEAELP C[NH2+][C@@H](C)c1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000071274498 176106160 /nfs/dbraw/zinc/10/61/60/176106160.db2.gz PUZACHWYPDWLHJ-NSHDSACASA-N 2 2 287.367 2.022 10 0 CEAELP COCC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348954 176132870 /nfs/dbraw/zinc/13/28/70/176132870.db2.gz VVJMSSLTAXRJLF-ZDUSSCGKSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348954 176132871 /nfs/dbraw/zinc/13/28/71/176132871.db2.gz VVJMSSLTAXRJLF-ZDUSSCGKSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](C3CCCCC3)C2)no1 ZINC000662320786 415779409 /nfs/dbraw/zinc/77/94/09/415779409.db2.gz DRCMVOZARZQSFM-CYBMUJFWSA-N 2 2 278.400 2.321 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](C3CCCCC3)C2)no1 ZINC000662320786 415779415 /nfs/dbraw/zinc/77/94/15/415779415.db2.gz DRCMVOZARZQSFM-CYBMUJFWSA-N 2 2 278.400 2.321 10 0 CEAELP COc1c(C)cc(CC[N@H+](C)CC[NH3+])c(C)c1C ZINC000077432374 177268076 /nfs/dbraw/zinc/26/80/76/177268076.db2.gz NWPKTRBJLMFILY-UHFFFAOYSA-N 2 2 250.386 2.053 10 0 CEAELP COc1c(C)cc(CC[N@@H+](C)CC[NH3+])c(C)c1C ZINC000077432374 177268078 /nfs/dbraw/zinc/26/80/78/177268078.db2.gz NWPKTRBJLMFILY-UHFFFAOYSA-N 2 2 250.386 2.053 10 0 CEAELP C[NH2+][C@@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000398011307 270355567 /nfs/dbraw/zinc/35/55/67/270355567.db2.gz SSZDIPDXWFCDIU-ZETCQYMHSA-N 2 2 263.204 2.208 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2ccccc21 ZINC000252961339 279370033 /nfs/dbraw/zinc/37/00/33/279370033.db2.gz OALVGAWHANEDKQ-XPKDYRNWSA-N 2 2 260.381 2.031 10 0 CEAELP Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000070178441 301337154 /nfs/dbraw/zinc/33/71/54/301337154.db2.gz GCBQHURFXAKZRD-AAEUAGOBSA-N 2 2 262.401 2.472 10 0 CEAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000516173840 313083209 /nfs/dbraw/zinc/08/32/09/313083209.db2.gz DJIALPWICLANIG-QZWWFDLISA-N 3 2 281.488 2.475 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCOC[C@H]1C ZINC000052476112 519749341 /nfs/dbraw/zinc/74/93/41/519749341.db2.gz QJSXBYXEHNEXDE-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCOC[C@H]1C ZINC000052476112 519749342 /nfs/dbraw/zinc/74/93/42/519749342.db2.gz QJSXBYXEHNEXDE-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC[NH2+]C[C@H]1CCCCN1Cc1cn2ccccc2[nH+]1 ZINC000053650689 519976164 /nfs/dbraw/zinc/97/61/64/519976164.db2.gz GYXFVOUEPNMIPJ-OAHLLOKOSA-N 2 2 272.396 2.298 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H](CC)C2)c(C)o1 ZINC000052477368 519990827 /nfs/dbraw/zinc/99/08/27/519990827.db2.gz NECSHBUSUFYGPF-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@@H](CC)C2)c(C)o1 ZINC000052477368 519990835 /nfs/dbraw/zinc/99/08/35/519990835.db2.gz NECSHBUSUFYGPF-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CCC[NH2+][C@H](CCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000062534690 520081383 /nfs/dbraw/zinc/08/13/83/520081383.db2.gz QJOCRRGAWHDNQT-CQSZACIVSA-N 2 2 289.379 2.276 10 0 CEAELP CCC[NH2+][C@H](C[N@H+](C)CCc1ccccn1)C1CC1 ZINC000069073781 520081453 /nfs/dbraw/zinc/08/14/53/520081453.db2.gz WRUVTMAQYXQFKB-MRXNPFEDSA-N 2 2 261.413 2.334 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+](C)CCc1ccccn1)C1CC1 ZINC000069073781 520081457 /nfs/dbraw/zinc/08/14/57/520081457.db2.gz WRUVTMAQYXQFKB-MRXNPFEDSA-N 2 2 261.413 2.334 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674897 520119368 /nfs/dbraw/zinc/11/93/68/520119368.db2.gz ZERIFQGRZLFWJT-GXTWGEPZSA-N 2 2 276.380 2.235 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674897 520119378 /nfs/dbraw/zinc/11/93/78/520119378.db2.gz ZERIFQGRZLFWJT-GXTWGEPZSA-N 2 2 276.380 2.235 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccccc1Cl ZINC000062739652 520309846 /nfs/dbraw/zinc/30/98/46/520309846.db2.gz JTPSFKYBLFADMV-LBPRGKRZSA-N 2 2 256.777 2.136 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccccc1Cl ZINC000062739652 520309848 /nfs/dbraw/zinc/30/98/48/520309848.db2.gz JTPSFKYBLFADMV-LBPRGKRZSA-N 2 2 256.777 2.136 10 0 CEAELP CCC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCCn1cc[nH+]c1 ZINC000068695480 521224160 /nfs/dbraw/zinc/22/41/60/521224160.db2.gz NFKOSABASSMIGE-JKSUJKDBSA-N 2 2 278.444 2.372 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197567 521582567 /nfs/dbraw/zinc/58/25/67/521582567.db2.gz OKAUTXVAPSOQSL-ZBFHGGJFSA-N 3 2 269.477 2.283 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197576 521584357 /nfs/dbraw/zinc/58/43/57/521584357.db2.gz OKAUTXVAPSOQSL-GOEBONIOSA-N 3 2 269.477 2.283 10 0 CEAELP COc1c(C)c[nH+]c(CC2(C[NH3+])CCOCC2)c1C ZINC000061673948 521808316 /nfs/dbraw/zinc/80/83/16/521808316.db2.gz PATNMPTXMCDLIU-UHFFFAOYSA-N 2 2 264.369 2.005 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H](C)COC ZINC000052203771 521952033 /nfs/dbraw/zinc/95/20/33/521952033.db2.gz ATLHVVDFNYTLLC-WFASDCNBSA-N 2 2 250.386 2.216 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H](C)COC ZINC000052203771 521952042 /nfs/dbraw/zinc/95/20/42/521952042.db2.gz ATLHVVDFNYTLLC-WFASDCNBSA-N 2 2 250.386 2.216 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372846 522024617 /nfs/dbraw/zinc/02/46/17/522024617.db2.gz GZVISUWTXOLDQN-HNNXBMFYSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372846 522024624 /nfs/dbraw/zinc/02/46/24/522024624.db2.gz GZVISUWTXOLDQN-HNNXBMFYSA-N 2 2 250.386 2.371 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCOCCC(C)C ZINC000062803175 522337065 /nfs/dbraw/zinc/33/70/65/522337065.db2.gz AWHXYJQEGCEROK-ZDUSSCGKSA-N 2 2 253.390 2.226 10 0 CEAELP CN(C)c1nc(N(CCC[NH3+])c2ccccc2F)cc[nH+]1 ZINC000068689995 522360915 /nfs/dbraw/zinc/36/09/15/522360915.db2.gz IDPRTIUCCJANKW-UHFFFAOYSA-N 2 2 289.358 2.169 10 0 CEAELP C[NH2+][C@H](CN(C)Cc1[nH+]ccn1C)c1ccccc1C ZINC000062251282 522466015 /nfs/dbraw/zinc/46/60/15/522466015.db2.gz NSIAIEZIFDYQLN-OAHLLOKOSA-N 2 2 272.396 2.121 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068650216 522506446 /nfs/dbraw/zinc/50/64/46/522506446.db2.gz RRFKXJGTTPNYAL-BZNIZROVSA-N 2 2 288.395 2.013 10 0 CEAELP C[N@H+](Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590118 523253365 /nfs/dbraw/zinc/25/33/65/523253365.db2.gz BZMUOXSKVNZWKX-CQSZACIVSA-N 2 2 268.401 2.482 10 0 CEAELP C[N@@H+](Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590118 523253378 /nfs/dbraw/zinc/25/33/78/523253378.db2.gz BZMUOXSKVNZWKX-CQSZACIVSA-N 2 2 268.401 2.482 10 0 CEAELP CCn1cc(C[N@H+](C)C2(C[NH3+])CCC(C)CC2)cn1 ZINC000050539247 523366388 /nfs/dbraw/zinc/36/63/88/523366388.db2.gz SGZJKTAPNTUVFC-UHFFFAOYSA-N 2 2 264.417 2.242 10 0 CEAELP CCn1cc(C[N@@H+](C)C2(C[NH3+])CCC(C)CC2)cn1 ZINC000050539247 523366396 /nfs/dbraw/zinc/36/63/96/523366396.db2.gz SGZJKTAPNTUVFC-UHFFFAOYSA-N 2 2 264.417 2.242 10 0 CEAELP CCn1cc[nH+]c1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069474305 523511412 /nfs/dbraw/zinc/51/14/12/523511412.db2.gz IDGXHWQUWNECBT-UHFFFAOYSA-N 2 2 261.325 2.046 10 0 CEAELP CCn1cc[nH+]c1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000054743867 523547774 /nfs/dbraw/zinc/54/77/74/523547774.db2.gz XYCXQQGHSGWZSA-UHFFFAOYSA-N 2 2 261.373 2.036 10 0 CEAELP C[N@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055022488 523623338 /nfs/dbraw/zinc/62/33/38/523623338.db2.gz QLCHRXKXHKXBAF-HNNXBMFYSA-N 3 2 274.412 2.080 10 0 CEAELP C[N@@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055022488 523623347 /nfs/dbraw/zinc/62/33/47/523623347.db2.gz QLCHRXKXHKXBAF-HNNXBMFYSA-N 3 2 274.412 2.080 10 0 CEAELP CN1CCC[N@H+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052424207 523807997 /nfs/dbraw/zinc/80/79/97/523807997.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 2 2 273.380 2.029 10 0 CEAELP CN1CCC[N@@H+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052424207 523808005 /nfs/dbraw/zinc/80/80/05/523808005.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 2 2 273.380 2.029 10 0 CEAELP COc1ccc(C)cc1Cn1cc[nH+]c1C[C@@H](C)[NH3+] ZINC000062802907 523817873 /nfs/dbraw/zinc/81/78/73/523817873.db2.gz BMLHTBAJKVUHBB-GFCCVEGCSA-N 2 2 259.353 2.138 10 0 CEAELP COc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCSC2)cc1 ZINC000061590131 524010751 /nfs/dbraw/zinc/01/07/51/524010751.db2.gz VQBVWRJWXOWKMC-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP COc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCSC2)cc1 ZINC000061590131 524010754 /nfs/dbraw/zinc/01/07/54/524010754.db2.gz VQBVWRJWXOWKMC-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053010817 524045461 /nfs/dbraw/zinc/04/54/61/524045461.db2.gz MDGVSBJEYVEYBS-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053010817 524045465 /nfs/dbraw/zinc/04/54/65/524045465.db2.gz MDGVSBJEYVEYBS-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP COc1ccccc1C[N@H+](C)Cc1cc[nH+]c(NN)c1 ZINC000052720404 524436992 /nfs/dbraw/zinc/43/69/92/524436992.db2.gz DLSLYUXHDFXKBC-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP COc1ccccc1C[N@@H+](C)Cc1cc[nH+]c(NN)c1 ZINC000052720404 524437000 /nfs/dbraw/zinc/43/70/00/524437000.db2.gz DLSLYUXHDFXKBC-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP C[C@@H](CC[NH+](C)C)N[C@H](c1ccco1)c1[nH+]ccn1C ZINC000049554134 524479067 /nfs/dbraw/zinc/47/90/67/524479067.db2.gz BZHSQFQADJEEBM-GXTWGEPZSA-N 2 2 276.384 2.032 10 0 CEAELP Cc1cc(C[N@@H+]2CCOC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476171 524699200 /nfs/dbraw/zinc/69/92/00/524699200.db2.gz CYCJEXGPHLNWSU-ZDUSSCGKSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1cc(C[N@H+]2CCOC[C@@H]2C)oc1C[NH2+]C(C)C ZINC000052476171 524699207 /nfs/dbraw/zinc/69/92/07/524699207.db2.gz CYCJEXGPHLNWSU-ZDUSSCGKSA-N 2 2 266.385 2.307 10 0 CEAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCOCC3)C2)cc1 ZINC000052177391 526470759 /nfs/dbraw/zinc/47/07/59/526470759.db2.gz KKDWXVMMXGFKCY-QGZVFWFLSA-N 2 2 274.408 2.277 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCOCC3)C2)cc1 ZINC000052177391 526470762 /nfs/dbraw/zinc/47/07/62/526470762.db2.gz KKDWXVMMXGFKCY-QGZVFWFLSA-N 2 2 274.408 2.277 10 0 CEAELP Cc1[nH]c(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c[nH+]1 ZINC000054822223 526892827 /nfs/dbraw/zinc/89/28/27/526892827.db2.gz LMWXXOSJMVOOBC-SECBINFHSA-N 2 2 273.340 2.060 10 0 CEAELP [NH3+]C[C@@]1([N@H+](Cc2ccco2)C2CC2)CCCSC1 ZINC000061590249 527222759 /nfs/dbraw/zinc/22/27/59/527222759.db2.gz PPIBAXHLZWQNOA-AWEZNQCLSA-N 2 2 266.410 2.469 10 0 CEAELP [NH3+]C[C@@]1([N@@H+](Cc2ccco2)C2CC2)CCCSC1 ZINC000061590249 527222762 /nfs/dbraw/zinc/22/27/62/527222762.db2.gz PPIBAXHLZWQNOA-AWEZNQCLSA-N 2 2 266.410 2.469 10 0 CEAELP [NH3+]Cc1c[nH+]c2ccccc2c1N1CCC[C@@H]1CCCO ZINC000052756746 527263588 /nfs/dbraw/zinc/26/35/88/527263588.db2.gz IGMFSAJBUZBTTI-CQSZACIVSA-N 2 2 285.391 2.435 10 0 CEAELP Cc1nccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000054790644 527339262 /nfs/dbraw/zinc/33/92/62/527339262.db2.gz BGSAUHOZWJVFQS-AWEZNQCLSA-N 2 2 273.384 2.186 10 0 CEAELP Cc1nc(N2CCC[C@@H](C[NH2+]C(C)(C)C)C2)cc[nH+]1 ZINC000054937665 527344775 /nfs/dbraw/zinc/34/47/75/527344775.db2.gz KJNVHHLXMWMLOJ-ZDUSSCGKSA-N 2 2 262.401 2.390 10 0 CEAELP FC(F)(F)COCCC[NH2+]CC[NH+]1CCCCC1 ZINC000049575116 527668659 /nfs/dbraw/zinc/66/86/59/527668659.db2.gz XMGDLVJFBIYQHE-UHFFFAOYSA-N 2 2 268.323 2.031 10 0 CEAELP CCC([NH3+])(CC)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000094245907 535182731 /nfs/dbraw/zinc/18/27/31/535182731.db2.gz TVACELPFTYKCEL-UHFFFAOYSA-N 2 2 291.439 2.335 10 0 CEAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1Cl ZINC000384697587 574842170 /nfs/dbraw/zinc/84/21/70/574842170.db2.gz JPOGHMRRDNFDGB-CQSZACIVSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1Cl ZINC000384697587 574842172 /nfs/dbraw/zinc/84/21/72/574842172.db2.gz JPOGHMRRDNFDGB-CQSZACIVSA-N 2 2 282.815 2.195 10 0 CEAELP c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096949585 185138533 /nfs/dbraw/zinc/13/85/33/185138533.db2.gz OTCREKNSLPVLFE-HOTGVXAUSA-N 2 2 260.381 2.030 10 0 CEAELP c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096949585 185138534 /nfs/dbraw/zinc/13/85/34/185138534.db2.gz OTCREKNSLPVLFE-HOTGVXAUSA-N 2 2 260.381 2.030 10 0 CEAELP c1cc(N2CCCCC2)[nH+]cc1NC1CC[NH2+]CC1 ZINC000038041047 361985488 /nfs/dbraw/zinc/98/54/88/361985488.db2.gz VVODKTNMFJOCIE-UHFFFAOYSA-N 2 2 260.385 2.236 10 0 CEAELP COc1ccc([C@H]([NH3+])C[NH3+])cc1OCc1ccccc1 ZINC000044469123 362153421 /nfs/dbraw/zinc/15/34/21/362153421.db2.gz ZMTMTUNRTBGCSZ-CQSZACIVSA-N 2 2 272.348 2.233 10 0 CEAELP Clc1cccc2c1C[C@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000034476847 343420024 /nfs/dbraw/zinc/42/00/24/343420024.db2.gz YUDFNYCWJSTXBV-CYBMUJFWSA-N 2 2 264.800 2.493 10 0 CEAELP Clc1cccc2c1C[C@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000034476847 343420026 /nfs/dbraw/zinc/42/00/26/343420026.db2.gz YUDFNYCWJSTXBV-CYBMUJFWSA-N 2 2 264.800 2.493 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000228376530 539339178 /nfs/dbraw/zinc/33/91/78/539339178.db2.gz VUGQEUQLWHUNLI-WFASDCNBSA-N 2 2 271.364 2.096 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H]([NH3+])[C@H]2CCSC2)c1C ZINC000097053199 185516963 /nfs/dbraw/zinc/51/69/63/185516963.db2.gz FMQVEGNRYLMFSO-NWDGAFQWSA-N 2 2 266.410 2.330 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085467889 179073516 /nfs/dbraw/zinc/07/35/16/179073516.db2.gz NHMPYYLJXSXNRW-RRFJBIMHSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085467889 179073517 /nfs/dbraw/zinc/07/35/17/179073517.db2.gz NHMPYYLJXSXNRW-RRFJBIMHSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000085515786 179087362 /nfs/dbraw/zinc/08/73/62/179087362.db2.gz YSOBKANGJRUXTD-INIZCTEOSA-N 2 2 288.439 2.270 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000085515786 179087364 /nfs/dbraw/zinc/08/73/64/179087364.db2.gz YSOBKANGJRUXTD-INIZCTEOSA-N 2 2 288.439 2.270 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516237 179087945 /nfs/dbraw/zinc/08/79/45/179087945.db2.gz XGKMIHKAKFVPKU-DLBZAZTESA-N 2 2 288.439 2.126 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516237 179087948 /nfs/dbraw/zinc/08/79/48/179087948.db2.gz XGKMIHKAKFVPKU-DLBZAZTESA-N 2 2 288.439 2.126 10 0 CEAELP CCOCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515688 179088070 /nfs/dbraw/zinc/08/80/70/179088070.db2.gz OCCDMLSNFLCQLO-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515688 179088071 /nfs/dbraw/zinc/08/80/71/179088071.db2.gz OCCDMLSNFLCQLO-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCOC ZINC000085498219 179083478 /nfs/dbraw/zinc/08/34/78/179083478.db2.gz SMPHGPFWPVZIGK-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCOC ZINC000085498219 179083480 /nfs/dbraw/zinc/08/34/80/179083480.db2.gz SMPHGPFWPVZIGK-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608718 179101330 /nfs/dbraw/zinc/10/13/30/179101330.db2.gz IYFXLZYSFZOYEW-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608718 179101332 /nfs/dbraw/zinc/10/13/32/179101332.db2.gz IYFXLZYSFZOYEW-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608786 179101686 /nfs/dbraw/zinc/10/16/86/179101686.db2.gz UKQNCSQOMPESKX-GOSISDBHSA-N 2 2 288.435 2.320 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608786 179101687 /nfs/dbraw/zinc/10/16/87/179101687.db2.gz UKQNCSQOMPESKX-GOSISDBHSA-N 2 2 288.435 2.320 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000085613797 179103124 /nfs/dbraw/zinc/10/31/24/179103124.db2.gz DGGVRLOCUCOHBN-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)n1 ZINC000085613797 179103126 /nfs/dbraw/zinc/10/31/26/179103126.db2.gz DGGVRLOCUCOHBN-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP Cc1[nH+]ccn1CCN1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000085610813 179103528 /nfs/dbraw/zinc/10/35/28/179103528.db2.gz BANCAYLEOUCFOH-QGZVFWFLSA-N 2 2 284.407 2.228 10 0 CEAELP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1Cc1ncccn1 ZINC000085620924 179105619 /nfs/dbraw/zinc/10/56/19/179105619.db2.gz FDCNZRNNPWFPSC-AWEZNQCLSA-N 2 2 274.412 2.363 10 0 CEAELP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1Cc1ncccn1 ZINC000085620924 179105621 /nfs/dbraw/zinc/10/56/21/179105621.db2.gz FDCNZRNNPWFPSC-AWEZNQCLSA-N 2 2 274.412 2.363 10 0 CEAELP CC(C)C[C@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085622143 179106027 /nfs/dbraw/zinc/10/60/27/179106027.db2.gz TWVQVRCRHANQOV-KKUMJFAQSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085622143 179106030 /nfs/dbraw/zinc/10/60/30/179106030.db2.gz TWVQVRCRHANQOV-KKUMJFAQSA-N 2 2 254.418 2.121 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623229 179106064 /nfs/dbraw/zinc/10/60/64/179106064.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 3 2 276.428 2.188 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623229 179106067 /nfs/dbraw/zinc/10/60/67/179106067.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 3 2 276.428 2.188 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674141 179112025 /nfs/dbraw/zinc/11/20/25/179112025.db2.gz MCZASCKCECBAPO-RFGFWPKPSA-N 2 2 263.385 2.065 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C12CCCC2 ZINC000085680301 179113447 /nfs/dbraw/zinc/11/34/47/179113447.db2.gz HPMQFTIFDHVQTM-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151859 179240751 /nfs/dbraw/zinc/24/07/51/179240751.db2.gz OOEQSOLEPZJZOA-AJNGGQMLSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151859 179240754 /nfs/dbraw/zinc/24/07/54/179240754.db2.gz OOEQSOLEPZJZOA-AJNGGQMLSA-N 2 2 256.434 2.366 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260106 179259000 /nfs/dbraw/zinc/25/90/00/179259000.db2.gz GKCJUYNKQBWTBF-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260106 179259001 /nfs/dbraw/zinc/25/90/01/179259001.db2.gz GKCJUYNKQBWTBF-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260136 179259522 /nfs/dbraw/zinc/25/95/22/179259522.db2.gz YNFMMIBQVMFDFO-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260136 179259523 /nfs/dbraw/zinc/25/95/23/179259523.db2.gz YNFMMIBQVMFDFO-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CCC1(CC)C[N@H+](CC[C@H]2CCCO2)CCC[NH2+]1 ZINC000086291427 179265670 /nfs/dbraw/zinc/26/56/70/179265670.db2.gz GLOIUSDYWDABTI-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCC1(CC)C[N@@H+](CC[C@H]2CCCO2)CCC[NH2+]1 ZINC000086291427 179265672 /nfs/dbraw/zinc/26/56/72/179265672.db2.gz GLOIUSDYWDABTI-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296341 179268381 /nfs/dbraw/zinc/26/83/81/179268381.db2.gz JXEPFOMQVRFJID-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296341 179268382 /nfs/dbraw/zinc/26/83/82/179268382.db2.gz JXEPFOMQVRFJID-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086595110 179311237 /nfs/dbraw/zinc/31/12/37/179311237.db2.gz XUPJBILEQLDCRD-ZDUSSCGKSA-N 2 2 286.803 2.317 10 0 CEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086595110 179311239 /nfs/dbraw/zinc/31/12/39/179311239.db2.gz XUPJBILEQLDCRD-ZDUSSCGKSA-N 2 2 286.803 2.317 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897082 365940792 /nfs/dbraw/zinc/94/07/92/365940792.db2.gz OQTFJDOQTWJATB-STQMWFEESA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897082 365940803 /nfs/dbraw/zinc/94/08/03/365940803.db2.gz OQTFJDOQTWJATB-STQMWFEESA-N 2 2 278.396 2.449 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777920 179329630 /nfs/dbraw/zinc/32/96/30/179329630.db2.gz CZCCDQISYWUZSP-IUCAKERBSA-N 2 2 259.806 2.356 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cnc(Cl)s1 ZINC000086777920 179329632 /nfs/dbraw/zinc/32/96/32/179329632.db2.gz CZCCDQISYWUZSP-IUCAKERBSA-N 2 2 259.806 2.356 10 0 CEAELP COc1[nH+]ccc(N(C)C)c1N[C@H]1CCC[N@H+](C)CC1 ZINC000086817643 179345858 /nfs/dbraw/zinc/34/58/58/179345858.db2.gz XAKMJICOBOIYAE-LBPRGKRZSA-N 2 2 278.400 2.052 10 0 CEAELP COc1[nH+]ccc(N(C)C)c1N[C@H]1CCC[N@@H+](C)CC1 ZINC000086817643 179345859 /nfs/dbraw/zinc/34/58/59/179345859.db2.gz XAKMJICOBOIYAE-LBPRGKRZSA-N 2 2 278.400 2.052 10 0 CEAELP CC[N@@H+]1CCC[C@H](Nc2c(N(C)C)cc[nH+]c2OC)CC1 ZINC000086837884 179351168 /nfs/dbraw/zinc/35/11/68/179351168.db2.gz FHBBPBVZNJYHPF-ZDUSSCGKSA-N 2 2 292.427 2.443 10 0 CEAELP CC[N@H+]1CCC[C@H](Nc2c(N(C)C)cc[nH+]c2OC)CC1 ZINC000086837884 179351171 /nfs/dbraw/zinc/35/11/71/179351171.db2.gz FHBBPBVZNJYHPF-ZDUSSCGKSA-N 2 2 292.427 2.443 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840335 179351351 /nfs/dbraw/zinc/35/13/51/179351351.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 3 2 279.472 2.466 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840335 179351353 /nfs/dbraw/zinc/35/13/53/179351353.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 3 2 279.472 2.466 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842893 179352797 /nfs/dbraw/zinc/35/27/97/179352797.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842893 179352799 /nfs/dbraw/zinc/35/27/99/179352799.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCOCC1 ZINC000086873185 179364774 /nfs/dbraw/zinc/36/47/74/179364774.db2.gz GWKQMBSXNXORIN-UONOGXRCSA-N 2 2 265.401 2.457 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616628630 348540094 /nfs/dbraw/zinc/54/00/94/348540094.db2.gz OJIINRQVRWWKQA-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616628630 348540096 /nfs/dbraw/zinc/54/00/96/348540096.db2.gz OJIINRQVRWWKQA-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616614258 348534823 /nfs/dbraw/zinc/53/48/23/348534823.db2.gz BIMHPMYVPJQGQT-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616614258 348534825 /nfs/dbraw/zinc/53/48/25/348534825.db2.gz BIMHPMYVPJQGQT-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616621052 348537104 /nfs/dbraw/zinc/53/71/04/348537104.db2.gz OLLHGIDTDRWERQ-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616621052 348537108 /nfs/dbraw/zinc/53/71/08/348537108.db2.gz OLLHGIDTDRWERQ-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP CCOc1ccccc1OCC[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000088415647 179596429 /nfs/dbraw/zinc/59/64/29/179596429.db2.gz HIHDLHXVRPEXCY-CQSZACIVSA-N 2 2 278.396 2.148 10 0 CEAELP CCOc1ccccc1OCC[N@H+]1CC[NH2+]CC[C@H]1C ZINC000088415647 179596431 /nfs/dbraw/zinc/59/64/31/179596431.db2.gz HIHDLHXVRPEXCY-CQSZACIVSA-N 2 2 278.396 2.148 10 0 CEAELP CCn1c[nH+]cc1[C@H](C[NH3+])N(C)Cc1cccs1 ZINC000090174379 179926101 /nfs/dbraw/zinc/92/61/01/179926101.db2.gz PFCNJNRGEYJNKI-LBPRGKRZSA-N 2 2 264.398 2.096 10 0 CEAELP CCCn1c[nH+]cc1[C@@H]1[C@H]([NH3+])CCN1C(C)(C)C ZINC000090205372 179931415 /nfs/dbraw/zinc/93/14/15/179931415.db2.gz GEEGJCQLRLOAFO-YPMHNXCESA-N 2 2 250.390 2.166 10 0 CEAELP C[C@@H]1CC[NH+](CCOCC(F)(F)F)CC[C@@H](C)[NH2+]1 ZINC000104440340 186003366 /nfs/dbraw/zinc/00/33/66/186003366.db2.gz FEWAZEKPODYOMM-GHMZBOCLSA-N 2 2 268.323 2.028 10 0 CEAELP C[C@H](C[NH3+])C[NH+]1CCN(c2snc3ccccc32)CC1 ZINC000090868850 180048915 /nfs/dbraw/zinc/04/89/15/180048915.db2.gz QDPMVQAXPGYODL-GFCCVEGCSA-N 2 2 290.436 2.013 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907559 180062153 /nfs/dbraw/zinc/06/21/53/180062153.db2.gz BRNQKHQUTGYYEX-OWCLPIDISA-N 2 2 260.381 2.248 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907559 180062155 /nfs/dbraw/zinc/06/21/55/180062155.db2.gz BRNQKHQUTGYYEX-OWCLPIDISA-N 2 2 260.381 2.248 10 0 CEAELP [NH3+]Cc1nc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000090930414 180064047 /nfs/dbraw/zinc/06/40/47/180064047.db2.gz HQXHNJZARCCWRA-UHFFFAOYSA-N 2 2 299.359 2.040 10 0 CEAELP CCOCC[N@H+](CC)Cc1csc([C@H](C)[NH3+])n1 ZINC000090958672 180074601 /nfs/dbraw/zinc/07/46/01/180074601.db2.gz FDPYJADCDGUZRU-JTQLQIEISA-N 2 2 257.403 2.021 10 0 CEAELP CCOCC[N@@H+](CC)Cc1csc([C@H](C)[NH3+])n1 ZINC000090958672 180074603 /nfs/dbraw/zinc/07/46/03/180074603.db2.gz FDPYJADCDGUZRU-JTQLQIEISA-N 2 2 257.403 2.021 10 0 CEAELP Cc1nn(Cc2[nH+]ccn2C)c(C)c1C[NH2+]CC(C)C ZINC000091002237 180083789 /nfs/dbraw/zinc/08/37/89/180083789.db2.gz YIOSJQQIZXKSAC-UHFFFAOYSA-N 2 2 275.400 2.027 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000091318367 180134009 /nfs/dbraw/zinc/13/40/09/180134009.db2.gz CFZXNNNYBTZNND-AWEZNQCLSA-N 2 2 297.830 2.014 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091318367 180134011 /nfs/dbraw/zinc/13/40/11/180134011.db2.gz CFZXNNNYBTZNND-AWEZNQCLSA-N 2 2 297.830 2.014 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[NH+]1CCC(CC)(CC)CC1 ZINC000091322909 180134545 /nfs/dbraw/zinc/13/45/45/180134545.db2.gz NDNIEIMLTDMRJE-OAHLLOKOSA-N 2 2 297.487 2.474 10 0 CEAELP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000091273065 180117723 /nfs/dbraw/zinc/11/77/23/180117723.db2.gz DISRUGNXSUNJIM-AWEZNQCLSA-N 2 2 264.417 2.428 10 0 CEAELP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1cncn1C(C)C ZINC000091273065 180117726 /nfs/dbraw/zinc/11/77/26/180117726.db2.gz DISRUGNXSUNJIM-AWEZNQCLSA-N 2 2 264.417 2.428 10 0 CEAELP C[NH2+]CC[C@@H]1CCCCN1Cc1c[nH+]cn1C(C)C ZINC000091273065 180117727 /nfs/dbraw/zinc/11/77/27/180117727.db2.gz DISRUGNXSUNJIM-AWEZNQCLSA-N 2 2 264.417 2.428 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091273627 180118022 /nfs/dbraw/zinc/11/80/22/180118022.db2.gz MIWOIMMUMNCNIQ-CABCVRRESA-N 2 2 257.337 2.342 10 0 CEAELP CN(Cc1cccs1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276249 180119554 /nfs/dbraw/zinc/11/95/54/180119554.db2.gz YERRUQABEGORRE-ZDUSSCGKSA-N 2 2 276.409 2.411 10 0 CEAELP CC(C)[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276683 180119586 /nfs/dbraw/zinc/11/95/86/180119586.db2.gz NTLHPLZDAJDTHI-KGLIPLIRSA-N 2 2 262.401 2.338 10 0 CEAELP CC(C)[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276683 180119587 /nfs/dbraw/zinc/11/95/87/180119587.db2.gz NTLHPLZDAJDTHI-KGLIPLIRSA-N 2 2 262.401 2.338 10 0 CEAELP C[C@@H]1CN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C[C@@H](C)S1 ZINC000091276595 180120301 /nfs/dbraw/zinc/12/03/01/180120301.db2.gz WKNQPVNUDPCHAE-WZRBSPASSA-N 2 2 280.441 2.044 10 0 CEAELP c1cc2c(s1)CC[N@@H+](CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291954 180122550 /nfs/dbraw/zinc/12/25/50/180122550.db2.gz HOBDFIVICLSYNF-GFCCVEGCSA-N 2 2 268.451 2.201 10 0 CEAELP c1cc2c(s1)CC[N@H+](CC[C@@H]1CSCC[NH2+]1)C2 ZINC000091291954 180122551 /nfs/dbraw/zinc/12/25/51/180122551.db2.gz HOBDFIVICLSYNF-GFCCVEGCSA-N 2 2 268.451 2.201 10 0 CEAELP CC(C)(C)c1[nH]c2ccc(NC(=O)C3C[NH2+]C3)cc2[nH+]1 ZINC000091410500 180148494 /nfs/dbraw/zinc/14/84/94/180148494.db2.gz IRPFQCFZKLEOQO-UHFFFAOYSA-N 2 2 272.352 2.018 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563945 180192711 /nfs/dbraw/zinc/19/27/11/180192711.db2.gz TWJMBNJKJOZERD-ZDUSSCGKSA-N 2 2 263.385 2.270 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@](C)(CC)[NH+](C)C ZINC000091571754 180196065 /nfs/dbraw/zinc/19/60/65/180196065.db2.gz QIIRGBCTOGAUQA-HOCLYGCPSA-N 3 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1cc[nH+]c(N)c1)NC ZINC000091599124 180202715 /nfs/dbraw/zinc/20/27/15/180202715.db2.gz ATAHKMMZECLDBV-ZBFHGGJFSA-N 2 2 278.444 2.305 10 0 CEAELP CC[C@](C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCC1 ZINC000091602129 180203174 /nfs/dbraw/zinc/20/31/74/180203174.db2.gz UEGXTBPHXFNOPN-OAHLLOKOSA-N 2 2 261.369 2.040 10 0 CEAELP CC[C@](C)([C@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCC1 ZINC000091609046 180205025 /nfs/dbraw/zinc/20/50/25/180205025.db2.gz LSSQHKXFLOOOAX-HZPDHXFCSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609046 180205028 /nfs/dbraw/zinc/20/50/28/180205028.db2.gz LSSQHKXFLOOOAX-HZPDHXFCSA-N 2 2 276.428 2.188 10 0 CEAELP [NH3+][C@@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641835 180213444 /nfs/dbraw/zinc/21/34/44/180213444.db2.gz DLISJRKMHDDZHO-KBPBESRZSA-N 2 2 252.402 2.149 10 0 CEAELP C[C@H]1CCC[C@@](C(=O)c2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650577 180216097 /nfs/dbraw/zinc/21/60/97/180216097.db2.gz XIAMZCLSZUMHKK-XHDPSFHLSA-N 2 2 261.369 2.357 10 0 CEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3C[N@H+](C)CCO3)sc21 ZINC000091722479 180240915 /nfs/dbraw/zinc/24/09/15/180240915.db2.gz ODXJTMRVRMZTBP-ZYHUDNBSSA-N 2 2 295.452 2.379 10 0 CEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722479 180240918 /nfs/dbraw/zinc/24/09/18/180240918.db2.gz ODXJTMRVRMZTBP-ZYHUDNBSSA-N 2 2 295.452 2.379 10 0 CEAELP O[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302154 539781243 /nfs/dbraw/zinc/78/12/43/539781243.db2.gz VKKODQWSFMSBFS-NVXWUHKLSA-N 2 2 292.398 2.249 10 0 CEAELP CCC[NH2+][C@H](c1ccoc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722289 180241095 /nfs/dbraw/zinc/24/10/95/180241095.db2.gz PZUNBHYOFWHHGN-QLFBSQMISA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+][C@H](c1ccoc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722289 180241097 /nfs/dbraw/zinc/24/10/97/180241097.db2.gz PZUNBHYOFWHHGN-QLFBSQMISA-N 2 2 264.369 2.184 10 0 CEAELP C[NH2+][C@@H](C)c1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091804411 180259937 /nfs/dbraw/zinc/25/99/37/180259937.db2.gz IHAXYVVGVYBTRE-LBPRGKRZSA-N 2 2 254.337 2.465 10 0 CEAELP CC(C)C[NH2+]Cc1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054516 180313991 /nfs/dbraw/zinc/31/39/91/180313991.db2.gz WIAXHGKTLHIAMK-INIZCTEOSA-N 2 2 292.423 2.142 10 0 CEAELP CC(C)C[NH2+]Cc1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054516 180313993 /nfs/dbraw/zinc/31/39/93/180313993.db2.gz WIAXHGKTLHIAMK-INIZCTEOSA-N 2 2 292.423 2.142 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)cc1OC ZINC000092083102 180320399 /nfs/dbraw/zinc/32/03/99/180320399.db2.gz DECAWTONQFIYRV-OBJOEFQTSA-N 2 2 278.396 2.291 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300139 180358600 /nfs/dbraw/zinc/35/86/00/180358600.db2.gz BMWACHBOSAGTOI-ZFWWWQNUSA-N 2 2 262.397 2.338 10 0 CEAELP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(C)c2OC)CC1 ZINC000092165677 180336466 /nfs/dbraw/zinc/33/64/66/180336466.db2.gz NNBWWSLVZIZQJV-UHFFFAOYSA-N 2 2 294.443 2.043 10 0 CEAELP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(C)c2OC)CC1 ZINC000092165677 180336468 /nfs/dbraw/zinc/33/64/68/180336468.db2.gz NNBWWSLVZIZQJV-UHFFFAOYSA-N 2 2 294.443 2.043 10 0 CEAELP CCC[C@]1(C(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]C1 ZINC000092349925 180367969 /nfs/dbraw/zinc/36/79/69/180367969.db2.gz FCLYOAVMUJRFEV-HNNXBMFYSA-N 2 2 261.369 2.498 10 0 CEAELP C[N@@H+]1CCN(Cc2cccc(N)[nH+]2)[C@H](c2ccccc2)C1 ZINC000092368093 180369727 /nfs/dbraw/zinc/36/97/27/180369727.db2.gz VKEIMNDTZCFAOV-INIZCTEOSA-N 2 2 282.391 2.153 10 0 CEAELP C[N@H+]1CCN(Cc2cccc(N)[nH+]2)[C@H](c2ccccc2)C1 ZINC000092368093 180369728 /nfs/dbraw/zinc/36/97/28/180369728.db2.gz VKEIMNDTZCFAOV-INIZCTEOSA-N 2 2 282.391 2.153 10 0 CEAELP CNc1cccc(CN(CC[NH+](C)C)CC(C)C)[nH+]1 ZINC000092368724 180369988 /nfs/dbraw/zinc/36/99/88/180369988.db2.gz GXLJTCUJQXDPBT-UHFFFAOYSA-N 2 2 264.417 2.143 10 0 CEAELP COc1ccc2c(c1)[C@H]([N@H+](C)[C@@H]1CC[NH2+]C1)CCC2 ZINC000092387197 180374429 /nfs/dbraw/zinc/37/44/29/180374429.db2.gz XCBSPLUOUKGHLA-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP COc1ccc2c(c1)[C@H]([N@@H+](C)[C@@H]1CC[NH2+]C1)CCC2 ZINC000092387197 180374430 /nfs/dbraw/zinc/37/44/30/180374430.db2.gz XCBSPLUOUKGHLA-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417272 180381200 /nfs/dbraw/zinc/38/12/00/180381200.db2.gz MGZCCOJAHSSJQF-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417272 180381202 /nfs/dbraw/zinc/38/12/02/180381202.db2.gz MGZCCOJAHSSJQF-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](CC)CCOCC)c1 ZINC000092419241 180382480 /nfs/dbraw/zinc/38/24/80/180382480.db2.gz RZSZVUXPGKIHLQ-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](CC)CCOCC)c1 ZINC000092419241 180382482 /nfs/dbraw/zinc/38/24/82/180382482.db2.gz RZSZVUXPGKIHLQ-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@H]([NH3+])C3)c(OC)c1 ZINC000107827911 186194679 /nfs/dbraw/zinc/19/46/79/186194679.db2.gz AOIHRCYHBNWWSN-QWRGUYRKSA-N 2 2 287.363 2.402 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154336 186360786 /nfs/dbraw/zinc/36/07/86/186360786.db2.gz ROEVTLKJPWNLKX-IMJJTQAJSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154336 186360787 /nfs/dbraw/zinc/36/07/87/186360787.db2.gz ROEVTLKJPWNLKX-IMJJTQAJSA-N 2 2 277.412 2.218 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000111150153 186360860 /nfs/dbraw/zinc/36/08/60/186360860.db2.gz UGUGZWLQAWLANY-UHFFFAOYSA-N 3 2 267.417 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000111150153 186360861 /nfs/dbraw/zinc/36/08/61/186360861.db2.gz UGUGZWLQAWLANY-UHFFFAOYSA-N 3 2 267.417 2.081 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000111158243 186362592 /nfs/dbraw/zinc/36/25/92/186362592.db2.gz PAPBXLGFKCNNQM-HOCLYGCPSA-N 2 2 292.423 2.362 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000111158243 186362594 /nfs/dbraw/zinc/36/25/94/186362594.db2.gz PAPBXLGFKCNNQM-HOCLYGCPSA-N 2 2 292.423 2.362 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155431 186362859 /nfs/dbraw/zinc/36/28/59/186362859.db2.gz OLSBOLUZOPHLGV-ZIAGYGMSSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155431 186362861 /nfs/dbraw/zinc/36/28/61/186362861.db2.gz OLSBOLUZOPHLGV-ZIAGYGMSSA-N 2 2 256.434 2.497 10 0 CEAELP C[C@H](C[N@H+](C)CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000111146525 186358795 /nfs/dbraw/zinc/35/87/95/186358795.db2.gz ZYGMMHFOOKGSSY-CQSZACIVSA-N 2 2 262.397 2.389 10 0 CEAELP C[C@H](C[N@@H+](C)CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000111146525 186358797 /nfs/dbraw/zinc/35/87/97/186358797.db2.gz ZYGMMHFOOKGSSY-CQSZACIVSA-N 2 2 262.397 2.389 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148248 186359005 /nfs/dbraw/zinc/35/90/05/186359005.db2.gz BJXRXSSJDYVNLV-JKSUJKDBSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148248 186359006 /nfs/dbraw/zinc/35/90/06/186359006.db2.gz BJXRXSSJDYVNLV-JKSUJKDBSA-N 3 2 269.477 2.428 10 0 CEAELP CCOc1ccccc1[C@@H](O)C[N@H+](C)CCC[NH+](C)C ZINC000111143777 186359453 /nfs/dbraw/zinc/35/94/53/186359453.db2.gz JHMHPQFQSKBSSC-HNNXBMFYSA-N 2 2 280.412 2.002 10 0 CEAELP CCOc1ccccc1[C@@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC000111143777 186359454 /nfs/dbraw/zinc/35/94/54/186359454.db2.gz JHMHPQFQSKBSSC-HNNXBMFYSA-N 2 2 280.412 2.002 10 0 CEAELP C[NH+](C)CCC[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000111150140 186360248 /nfs/dbraw/zinc/36/02/48/186360248.db2.gz LUFNMCZDSIGDLZ-UHFFFAOYSA-N 3 2 275.396 2.275 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000111150140 186360250 /nfs/dbraw/zinc/36/02/50/186360250.db2.gz LUFNMCZDSIGDLZ-UHFFFAOYSA-N 3 2 275.396 2.275 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000111161616 186364546 /nfs/dbraw/zinc/36/45/46/186364546.db2.gz ADHFUVFLTPZFRI-GJZGRUSLSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000111161616 186364548 /nfs/dbraw/zinc/36/45/48/186364548.db2.gz ADHFUVFLTPZFRI-GJZGRUSLSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@H]1CCOc2ccccc21 ZINC000111185790 186366771 /nfs/dbraw/zinc/36/67/71/186366771.db2.gz ICQLURAGXNYEKM-JSGCOSHPSA-N 2 2 271.364 2.497 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)CCCOC1 ZINC000111327383 186399062 /nfs/dbraw/zinc/39/90/62/186399062.db2.gz WBIKVNPAGHQVCF-NVXWUHKLSA-N 2 2 298.471 2.281 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@H+]2C[C@@H](C)OC(C)(C)C2)CCCOC1 ZINC000111327383 186399064 /nfs/dbraw/zinc/39/90/64/186399064.db2.gz WBIKVNPAGHQVCF-NVXWUHKLSA-N 2 2 298.471 2.281 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111239091 186375018 /nfs/dbraw/zinc/37/50/18/186375018.db2.gz XHMDYNZAYXLLEM-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111239091 186375020 /nfs/dbraw/zinc/37/50/20/186375020.db2.gz XHMDYNZAYXLLEM-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070455942 363084744 /nfs/dbraw/zinc/08/47/44/363084744.db2.gz DVYUXYKGPFLMBF-CYBMUJFWSA-N 2 2 272.327 2.129 10 0 CEAELP CCCCOC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155230468 188192278 /nfs/dbraw/zinc/19/22/78/188192278.db2.gz RIONBSJFGILFBN-CQSZACIVSA-N 2 2 293.411 2.426 10 0 CEAELP CCCCOC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155230468 188192280 /nfs/dbraw/zinc/19/22/80/188192280.db2.gz RIONBSJFGILFBN-CQSZACIVSA-N 2 2 293.411 2.426 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000157998591 188351550 /nfs/dbraw/zinc/35/15/50/188351550.db2.gz GYBDYUXDSABVHX-ZDUSSCGKSA-N 2 2 260.341 2.271 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000157998591 188351551 /nfs/dbraw/zinc/35/15/51/188351551.db2.gz GYBDYUXDSABVHX-ZDUSSCGKSA-N 2 2 260.341 2.271 10 0 CEAELP CCCCOC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101754 366620706 /nfs/dbraw/zinc/62/07/06/366620706.db2.gz SYJUPKYYKILEJF-AWEZNQCLSA-N 2 2 291.395 2.159 10 0 CEAELP CCCCOC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151101754 366620710 /nfs/dbraw/zinc/62/07/10/366620710.db2.gz SYJUPKYYKILEJF-AWEZNQCLSA-N 2 2 291.395 2.159 10 0 CEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326318 366639277 /nfs/dbraw/zinc/63/92/77/366639277.db2.gz OBTRYZOVBICLJP-GOEBONIOSA-N 2 2 292.423 2.193 10 0 CEAELP COC(=O)CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670231 189269164 /nfs/dbraw/zinc/26/91/64/189269164.db2.gz WZXMOMBLICOTTK-CYBMUJFWSA-N 2 2 287.363 2.476 10 0 CEAELP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182923487 189340033 /nfs/dbraw/zinc/34/00/33/189340033.db2.gz XVIUBGVOCPUGIO-RHSMWYFYSA-N 2 2 294.414 2.409 10 0 CEAELP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182923487 189340034 /nfs/dbraw/zinc/34/00/34/189340034.db2.gz XVIUBGVOCPUGIO-RHSMWYFYSA-N 2 2 294.414 2.409 10 0 CEAELP CCn1cc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000183170293 189349152 /nfs/dbraw/zinc/34/91/52/189349152.db2.gz MCKCACCNEGLNPV-UHFFFAOYSA-N 2 2 287.411 2.369 10 0 CEAELP Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000245593868 370845755 /nfs/dbraw/zinc/84/57/55/370845755.db2.gz LEBZVWGDEZKOBP-BXUZGUMPSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000245593868 370845762 /nfs/dbraw/zinc/84/57/62/370845762.db2.gz LEBZVWGDEZKOBP-BXUZGUMPSA-N 2 2 276.384 2.240 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](CC)C(=O)OC)C1 ZINC000171634883 367582408 /nfs/dbraw/zinc/58/24/08/367582408.db2.gz LIEZLJZVTJGDOA-STQMWFEESA-N 2 2 279.384 2.034 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](CC)C(=O)OC)C1 ZINC000171634883 367582409 /nfs/dbraw/zinc/58/24/09/367582409.db2.gz LIEZLJZVTJGDOA-STQMWFEESA-N 2 2 279.384 2.034 10 0 CEAELP Cc1cnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000173779079 367943377 /nfs/dbraw/zinc/94/33/77/367943377.db2.gz DZWDSZNJTWDTFO-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)o1 ZINC000173779079 367943383 /nfs/dbraw/zinc/94/33/83/367943383.db2.gz DZWDSZNJTWDTFO-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194042995 370001737 /nfs/dbraw/zinc/00/17/37/370001737.db2.gz BFSPXHYWJCMESJ-GJZGRUSLSA-N 2 2 261.369 2.349 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000194042995 370001741 /nfs/dbraw/zinc/00/17/41/370001741.db2.gz BFSPXHYWJCMESJ-GJZGRUSLSA-N 2 2 261.369 2.349 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000249007015 371282143 /nfs/dbraw/zinc/28/21/43/371282143.db2.gz OBUATMNGUNFVML-BZUAXINKSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCOCC2 ZINC000249007015 371282149 /nfs/dbraw/zinc/28/21/49/371282149.db2.gz OBUATMNGUNFVML-BZUAXINKSA-N 2 2 296.455 2.035 10 0 CEAELP C[C@@H]1C[C@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000252218735 371434816 /nfs/dbraw/zinc/43/48/16/371434816.db2.gz ZUVPFUZIJSJHIQ-FVQBIDKESA-N 2 2 262.397 2.446 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000261601286 371672212 /nfs/dbraw/zinc/67/22/12/371672212.db2.gz BTJFFPKXIZKUDZ-BHYGNILZSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000261601286 371672214 /nfs/dbraw/zinc/67/22/14/371672214.db2.gz BTJFFPKXIZKUDZ-BHYGNILZSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]12 ZINC000261577952 371659474 /nfs/dbraw/zinc/65/94/74/371659474.db2.gz CZTKJRXKLSKJNJ-GIPNMCIBSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]12 ZINC000261577952 371659481 /nfs/dbraw/zinc/65/94/81/371659481.db2.gz CZTKJRXKLSKJNJ-GIPNMCIBSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000261995474 371795383 /nfs/dbraw/zinc/79/53/83/371795383.db2.gz STVSIKKCVFEKDG-LLVKDONJSA-N 2 2 251.399 2.334 10 0 CEAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000261995474 371795392 /nfs/dbraw/zinc/79/53/92/371795392.db2.gz STVSIKKCVFEKDG-LLVKDONJSA-N 2 2 251.399 2.334 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262012332 371799329 /nfs/dbraw/zinc/79/93/29/371799329.db2.gz MJDBBFMSEQDJHA-WFASDCNBSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000262012332 371799333 /nfs/dbraw/zinc/79/93/33/371799333.db2.gz MJDBBFMSEQDJHA-WFASDCNBSA-N 2 2 270.380 2.164 10 0 CEAELP COc1ccc2oc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2c1 ZINC000262071184 371818865 /nfs/dbraw/zinc/81/88/65/371818865.db2.gz SAXXBOKSVFQXRO-IINYFYTJSA-N 2 2 260.337 2.220 10 0 CEAELP COc1ccc2oc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2c1 ZINC000262071184 371818878 /nfs/dbraw/zinc/81/88/78/371818878.db2.gz SAXXBOKSVFQXRO-IINYFYTJSA-N 2 2 260.337 2.220 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090525 371821659 /nfs/dbraw/zinc/82/16/59/371821659.db2.gz USWLHFOVEYPWRN-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090525 371821664 /nfs/dbraw/zinc/82/16/64/371821664.db2.gz USWLHFOVEYPWRN-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP CC(C)(CCc1ccccc1)[NH2+]Cc1noc(C[NH3+])n1 ZINC000262117973 371824809 /nfs/dbraw/zinc/82/48/09/371824809.db2.gz BSTBNDQZXAOTSJ-UHFFFAOYSA-N 2 2 274.368 2.029 10 0 CEAELP c1c[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000374608866 374612765 /nfs/dbraw/zinc/61/27/65/374612765.db2.gz XPLTYLIEJCVBFN-YESZJQIVSA-N 2 2 296.418 2.410 10 0 CEAELP c1c[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000374608866 374612768 /nfs/dbraw/zinc/61/27/68/374612768.db2.gz XPLTYLIEJCVBFN-YESZJQIVSA-N 2 2 296.418 2.410 10 0 CEAELP Cc1nnsc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384242524 375209105 /nfs/dbraw/zinc/20/91/05/375209105.db2.gz JMQPDKHDKQWLTG-ZYHUDNBSSA-N 2 2 268.430 2.247 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000389438652 375303286 /nfs/dbraw/zinc/30/32/86/375303286.db2.gz NGDDXNRNYXXHDA-SOUVJXGZSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCCC2 ZINC000389438652 375303292 /nfs/dbraw/zinc/30/32/92/375303292.db2.gz NGDDXNRNYXXHDA-SOUVJXGZSA-N 2 2 266.429 2.408 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855944 375308305 /nfs/dbraw/zinc/30/83/05/375308305.db2.gz BAPWLQFCMGYRPF-SZMVWBNQSA-N 2 2 287.451 2.191 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855944 375308309 /nfs/dbraw/zinc/30/83/09/375308309.db2.gz BAPWLQFCMGYRPF-SZMVWBNQSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855944 375308316 /nfs/dbraw/zinc/30/83/16/375308316.db2.gz BAPWLQFCMGYRPF-SZMVWBNQSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855944 375308319 /nfs/dbraw/zinc/30/83/19/375308319.db2.gz BAPWLQFCMGYRPF-SZMVWBNQSA-N 2 2 287.451 2.191 10 0 CEAELP CCC[N@@H+]1CCO[C@H]([C@@H](Cc2cccc(F)c2)[NH2+]CC)C1 ZINC000093920303 184742517 /nfs/dbraw/zinc/74/25/17/184742517.db2.gz YDWFBOKBWCQZOZ-SJORKVTESA-N 2 2 294.414 2.457 10 0 CEAELP CCC[N@H+]1CCO[C@H]([C@@H](Cc2cccc(F)c2)[NH2+]CC)C1 ZINC000093920303 184742518 /nfs/dbraw/zinc/74/25/18/184742518.db2.gz YDWFBOKBWCQZOZ-SJORKVTESA-N 2 2 294.414 2.457 10 0 CEAELP CC[NH2+][C@@H]([C@H]1CCc2cccnc21)C(C)(C)[NH+](C)C ZINC000094137706 184755835 /nfs/dbraw/zinc/75/58/35/184755835.db2.gz RSFICUQDOGBVIQ-ZFWWWQNUSA-N 2 2 261.413 2.430 10 0 CEAELP [NH3+][C@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000093206389 135079571 /nfs/dbraw/zinc/07/95/71/135079571.db2.gz SMUVZUVCCBCDJC-STQMWFEESA-N 2 2 260.385 2.364 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000341471981 395002236 /nfs/dbraw/zinc/00/22/36/395002236.db2.gz USDHVFJKAZEVEW-RGCMKSIDSA-N 2 2 266.429 2.405 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000341471981 395002238 /nfs/dbraw/zinc/00/22/38/395002238.db2.gz USDHVFJKAZEVEW-RGCMKSIDSA-N 2 2 266.429 2.405 10 0 CEAELP Cc1nnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516168 153290440 /nfs/dbraw/zinc/29/04/40/153290440.db2.gz CWRVHNFMKPRTOL-CYBMUJFWSA-N 2 2 287.367 2.015 10 0 CEAELP Cc1nnc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516168 153290444 /nfs/dbraw/zinc/29/04/44/153290444.db2.gz CWRVHNFMKPRTOL-CYBMUJFWSA-N 2 2 287.367 2.015 10 0 CEAELP [NH3+]C[C@H](CCOc1cccc(F)c1)[NH+]1CCCCC1 ZINC000019664826 170834269 /nfs/dbraw/zinc/83/42/69/170834269.db2.gz CTOKFJNPXNOWQA-AWEZNQCLSA-N 2 2 266.360 2.408 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)c(OC)c1 ZINC000020226492 171091436 /nfs/dbraw/zinc/09/14/36/171091436.db2.gz NVJPZRFVVLNFAM-CQSZACIVSA-N 2 2 266.385 2.291 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c(OC)c1 ZINC000020226492 171091439 /nfs/dbraw/zinc/09/14/39/171091439.db2.gz NVJPZRFVVLNFAM-CQSZACIVSA-N 2 2 266.385 2.291 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221707 173041919 /nfs/dbraw/zinc/04/19/19/173041919.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 3 2 269.477 2.283 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221707 173041920 /nfs/dbraw/zinc/04/19/20/173041920.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 3 2 269.477 2.283 10 0 CEAELP Cc1ncsc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249482 173061690 /nfs/dbraw/zinc/06/16/90/173061690.db2.gz ATGRBOLBXPOHEJ-SNVBAGLBSA-N 2 2 250.371 2.389 10 0 CEAELP COCCn1c(CCCCC[NH3+])[nH+]c2ccccc21 ZINC000040163854 174196744 /nfs/dbraw/zinc/19/67/44/174196744.db2.gz VNIDKUBEYASZEZ-UHFFFAOYSA-N 2 2 261.369 2.354 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000040717448 174384800 /nfs/dbraw/zinc/38/48/00/174384800.db2.gz JKILIFIPQPQWIC-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000040717448 174384801 /nfs/dbraw/zinc/38/48/01/174384801.db2.gz JKILIFIPQPQWIC-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP Cc1ccc2nc(C[N@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)cn2c1 ZINC000040750272 174395030 /nfs/dbraw/zinc/39/50/30/174395030.db2.gz RZBFLHXLMQGUEV-LQDVMPOASA-N 2 2 270.380 2.097 10 0 CEAELP Cc1ccc2nc(C[N@@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)cn2c1 ZINC000040750272 174395031 /nfs/dbraw/zinc/39/50/31/174395031.db2.gz RZBFLHXLMQGUEV-LQDVMPOASA-N 2 2 270.380 2.097 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314612 175004799 /nfs/dbraw/zinc/00/47/99/175004799.db2.gz YJKOBBTZBGRQDA-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335415 175011394 /nfs/dbraw/zinc/01/13/94/175011394.db2.gz HBDIFGLPRKUKLH-SWLSCSKDSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335415 175011395 /nfs/dbraw/zinc/01/13/95/175011395.db2.gz HBDIFGLPRKUKLH-SWLSCSKDSA-N 2 2 259.353 2.237 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCC1 ZINC000043340874 175014543 /nfs/dbraw/zinc/01/45/43/175014543.db2.gz MQLJJXPKMPVGQQ-GDBMZVCRSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCC1 ZINC000043340874 175014545 /nfs/dbraw/zinc/01/45/45/175014545.db2.gz MQLJJXPKMPVGQQ-GDBMZVCRSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353154 175020071 /nfs/dbraw/zinc/02/00/71/175020071.db2.gz BTZKELTVFORBMN-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353154 175020073 /nfs/dbraw/zinc/02/00/73/175020073.db2.gz BTZKELTVFORBMN-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCCSCC1 ZINC000043354052 175021697 /nfs/dbraw/zinc/02/16/97/175021697.db2.gz LZKZKXZPHOYILT-ZIAGYGMSSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCCSCC1 ZINC000043354052 175021698 /nfs/dbraw/zinc/02/16/98/175021698.db2.gz LZKZKXZPHOYILT-ZIAGYGMSSA-N 2 2 265.426 2.299 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354612 175022750 /nfs/dbraw/zinc/02/27/50/175022750.db2.gz JKNUKXUQSPEBJU-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354612 175022752 /nfs/dbraw/zinc/02/27/52/175022752.db2.gz JKNUKXUQSPEBJU-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902163 175122835 /nfs/dbraw/zinc/12/28/35/175122835.db2.gz CXYDUAHXGWXBGF-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902163 175122837 /nfs/dbraw/zinc/12/28/37/175122837.db2.gz CXYDUAHXGWXBGF-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915362 175124089 /nfs/dbraw/zinc/12/40/89/175124089.db2.gz YILKSEIMRJYWMF-ZACQAIPSSA-N 2 2 276.424 2.489 10 0 CEAELP C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915362 175124091 /nfs/dbraw/zinc/12/40/91/175124091.db2.gz YILKSEIMRJYWMF-ZACQAIPSSA-N 2 2 276.424 2.489 10 0 CEAELP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)[N@H+](C)CCOC ZINC000043915571 175124871 /nfs/dbraw/zinc/12/48/71/175124871.db2.gz NAJQJODMXCLSKK-LSDHHAIUSA-N 2 2 250.386 2.304 10 0 CEAELP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)[N@@H+](C)CCOC ZINC000043915571 175124873 /nfs/dbraw/zinc/12/48/73/175124873.db2.gz NAJQJODMXCLSKK-LSDHHAIUSA-N 2 2 250.386 2.304 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043965806 175127095 /nfs/dbraw/zinc/12/70/95/175127095.db2.gz ZSFMCUNNJPGJIQ-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965806 175127096 /nfs/dbraw/zinc/12/70/96/175127096.db2.gz ZSFMCUNNJPGJIQ-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@H+](CC)CCOC ZINC000043968643 175129903 /nfs/dbraw/zinc/12/99/03/175129903.db2.gz SKQXPSFOHZHXED-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@@H+](CC)CCOC ZINC000043968643 175129905 /nfs/dbraw/zinc/12/99/05/175129905.db2.gz SKQXPSFOHZHXED-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@H+](CCCOC)CCOC ZINC000043971084 175132232 /nfs/dbraw/zinc/13/22/32/175132232.db2.gz MMQQYFFBRJIJRD-GJZGRUSLSA-N 2 2 274.449 2.138 10 0 CEAELP CCC[NH2+][C@@H](CC)[C@H](C)[N@@H+](CCCOC)CCOC ZINC000043971084 175132234 /nfs/dbraw/zinc/13/22/34/175132234.db2.gz MMQQYFFBRJIJRD-GJZGRUSLSA-N 2 2 274.449 2.138 10 0 CEAELP CC1(NC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCCCC1 ZINC000045046962 175296360 /nfs/dbraw/zinc/29/63/60/175296360.db2.gz NUGPPOWADBAATQ-OAHLLOKOSA-N 2 2 293.455 2.042 10 0 CEAELP CC1(NC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCCCC1 ZINC000045046962 175296361 /nfs/dbraw/zinc/29/63/61/175296361.db2.gz NUGPPOWADBAATQ-OAHLLOKOSA-N 2 2 293.455 2.042 10 0 CEAELP CC[NH+]1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071326 175301585 /nfs/dbraw/zinc/30/15/85/175301585.db2.gz UVZXGULPDGPQMN-MRXNPFEDSA-N 2 2 279.472 2.454 10 0 CEAELP CC[NH+]1CCC(CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071326 175301587 /nfs/dbraw/zinc/30/15/87/175301587.db2.gz UVZXGULPDGPQMN-MRXNPFEDSA-N 2 2 279.472 2.454 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376146 175366440 /nfs/dbraw/zinc/36/64/40/175366440.db2.gz JESDGYOXKQNMOW-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376146 175366442 /nfs/dbraw/zinc/36/64/42/175366442.db2.gz JESDGYOXKQNMOW-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP C[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377439 175366997 /nfs/dbraw/zinc/36/69/97/175366997.db2.gz AJVUBRCQFUGWOZ-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CCOc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1OC ZINC000045946280 175387811 /nfs/dbraw/zinc/38/78/11/175387811.db2.gz MVKFAIHQSRFGND-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP CCOc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1OC ZINC000045946280 175387812 /nfs/dbraw/zinc/38/78/12/175387812.db2.gz MVKFAIHQSRFGND-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169816 176050623 /nfs/dbraw/zinc/05/06/23/176050623.db2.gz XNMDHYFMHPJOHL-HIFRSBDPSA-N 2 2 262.397 2.310 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169816 176050624 /nfs/dbraw/zinc/05/06/24/176050624.db2.gz XNMDHYFMHPJOHL-HIFRSBDPSA-N 2 2 262.397 2.310 10 0 CEAELP CCC[C@@]1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067446 /nfs/dbraw/zinc/06/74/46/176067446.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@@]1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067447 /nfs/dbraw/zinc/06/74/47/176067447.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@@]1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067448 /nfs/dbraw/zinc/06/74/48/176067448.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@@]1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067449 /nfs/dbraw/zinc/06/74/49/176067449.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191378 176070598 /nfs/dbraw/zinc/07/05/98/176070598.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191378 176070599 /nfs/dbraw/zinc/07/05/99/176070599.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191378 176070601 /nfs/dbraw/zinc/07/06/01/176070601.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191378 176070602 /nfs/dbraw/zinc/07/06/02/176070602.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2scnc2C)C[C@@H]1C ZINC000071213126 176085029 /nfs/dbraw/zinc/08/50/29/176085029.db2.gz SNKHSKXVKUNDKQ-CMPLNLGQSA-N 2 2 253.415 2.271 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2scnc2C)C[C@@H]1C ZINC000071213126 176085031 /nfs/dbraw/zinc/08/50/31/176085031.db2.gz SNKHSKXVKUNDKQ-CMPLNLGQSA-N 2 2 253.415 2.271 10 0 CEAELP CC[C@@H]1CN(CCCn2cc[nH+]c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345564 176131636 /nfs/dbraw/zinc/13/16/36/176131636.db2.gz WCKWKJOQCRBBNH-HZPDHXFCSA-N 2 2 276.428 2.126 10 0 CEAELP [NH3+]CCc1cn(Cc2c(F)cccc2Cl)c[nH+]1 ZINC000071575072 176202458 /nfs/dbraw/zinc/20/24/58/176202458.db2.gz CJKDUNJPSRKRQU-UHFFFAOYSA-N 2 2 253.708 2.225 10 0 CEAELP CCn1c(C)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000078739585 177379814 /nfs/dbraw/zinc/37/98/14/177379814.db2.gz RXDOBKFEWAMXFA-LBPRGKRZSA-N 2 2 260.385 2.500 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000178333272 279173026 /nfs/dbraw/zinc/17/30/26/279173026.db2.gz IBXFNLADJSYQHK-ZDUSSCGKSA-N 2 2 262.382 2.313 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000178333272 279173028 /nfs/dbraw/zinc/17/30/28/279173028.db2.gz IBXFNLADJSYQHK-ZDUSSCGKSA-N 2 2 262.382 2.313 10 0 CEAELP CC(C)OC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000248650010 280357443 /nfs/dbraw/zinc/35/74/43/280357443.db2.gz WDNZEILQFJZZHW-VXGQWTEUSA-N 2 2 254.418 2.261 10 0 CEAELP CC(C)OC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000248650010 280357446 /nfs/dbraw/zinc/35/74/46/280357446.db2.gz WDNZEILQFJZZHW-VXGQWTEUSA-N 2 2 254.418 2.261 10 0 CEAELP Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC000272808185 282012225 /nfs/dbraw/zinc/01/22/25/282012225.db2.gz CAHFMDRHHYSJAV-XHDPSFHLSA-N 2 2 274.412 2.050 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219775 298055074 /nfs/dbraw/zinc/05/50/74/298055074.db2.gz QOPXXDVUHTVEJX-YUSALJHKSA-N 2 2 285.313 2.270 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219775 298055077 /nfs/dbraw/zinc/05/50/77/298055077.db2.gz QOPXXDVUHTVEJX-YUSALJHKSA-N 2 2 285.313 2.270 10 0 CEAELP Cc1nnsc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384242515 321851178 /nfs/dbraw/zinc/85/11/78/321851178.db2.gz JMQPDKHDKQWLTG-JQWIXIFHSA-N 2 2 268.430 2.247 10 0 CEAELP CC(C)[N@H+](C)CCCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061813245 519616748 /nfs/dbraw/zinc/61/67/48/519616748.db2.gz HBWRCHYAWGPJGQ-UHFFFAOYSA-N 2 2 280.441 2.248 10 0 CEAELP CC(C)[N@@H+](C)CCCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061813245 519616754 /nfs/dbraw/zinc/61/67/54/519616754.db2.gz HBWRCHYAWGPJGQ-UHFFFAOYSA-N 2 2 280.441 2.248 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516660 520227582 /nfs/dbraw/zinc/22/75/82/520227582.db2.gz XZXWJTXGVZLMCV-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516660 520227587 /nfs/dbraw/zinc/22/75/87/520227587.db2.gz XZXWJTXGVZLMCV-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CC[N@H+](CCOC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052542584 521136805 /nfs/dbraw/zinc/13/68/05/521136805.db2.gz NLLFRIYWIJGQHU-UHFFFAOYSA-N 2 2 271.430 2.109 10 0 CEAELP CC[N@@H+](CCOC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052542584 521136820 /nfs/dbraw/zinc/13/68/20/521136820.db2.gz NLLFRIYWIJGQHU-UHFFFAOYSA-N 2 2 271.430 2.109 10 0 CEAELP CC(C)(C[NH2+]C(C)(C)C)CN1CCn2cc[nH+]c2C1 ZINC000062322266 519266475 /nfs/dbraw/zinc/26/64/75/519266475.db2.gz AXIQNEZFKJIOIL-UHFFFAOYSA-N 2 2 264.417 2.113 10 0 CEAELP CC[NH2+]C(C)(C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061290662 519907639 /nfs/dbraw/zinc/90/76/39/519907639.db2.gz DBZCRVMEWJDJFX-UHFFFAOYSA-N 2 2 272.352 2.199 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000054555355 520121185 /nfs/dbraw/zinc/12/11/85/520121185.db2.gz WIODYYJSBSQOGI-KFWWJZLASA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000054555355 520121189 /nfs/dbraw/zinc/12/11/89/520121189.db2.gz WIODYYJSBSQOGI-KFWWJZLASA-N 2 2 256.434 2.367 10 0 CEAELP CCCO[C@@H]1CCC[N@@H+]([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371507 520273095 /nfs/dbraw/zinc/27/30/95/520273095.db2.gz WWVIXMPBBZRWAH-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCCO[C@@H]1CCC[N@H+]([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371507 520273101 /nfs/dbraw/zinc/27/31/01/520273101.db2.gz WWVIXMPBBZRWAH-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[N@H+](C[C@](C)([NH3+])c1ccccc1)[C@@H](C)COC ZINC000052883588 521273661 /nfs/dbraw/zinc/27/36/61/521273661.db2.gz BDZNGGNTBGEYSG-ZFWWWQNUSA-N 2 2 250.386 2.217 10 0 CEAELP CC[N@@H+](C[C@](C)([NH3+])c1ccccc1)[C@@H](C)COC ZINC000052883588 521273670 /nfs/dbraw/zinc/27/36/70/521273670.db2.gz BDZNGGNTBGEYSG-ZFWWWQNUSA-N 2 2 250.386 2.217 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543979 521560335 /nfs/dbraw/zinc/56/03/35/521560335.db2.gz PWMOGQVMLPXMKT-HNNXBMFYSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543979 521560345 /nfs/dbraw/zinc/56/03/45/521560345.db2.gz PWMOGQVMLPXMKT-HNNXBMFYSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000049150126 521584285 /nfs/dbraw/zinc/58/42/85/521584285.db2.gz MAIUVULSZHBMSM-GJZGRUSLSA-N 3 2 267.461 2.181 10 0 CEAELP C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443391 522018412 /nfs/dbraw/zinc/01/84/12/522018412.db2.gz HRZIXBVGALFQCX-ZDUSSCGKSA-N 2 2 281.831 2.460 10 0 CEAELP C[NH2+]C[C@@H]1CC[C@@H](Cn2c[nH+]c3cc(C)c(C)cc32)O1 ZINC000052575694 522058237 /nfs/dbraw/zinc/05/82/37/522058237.db2.gz PGSHLTXCDWIBDM-KBPBESRZSA-N 2 2 273.380 2.420 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1F ZINC000062803133 522336914 /nfs/dbraw/zinc/33/69/14/522336914.db2.gz GHCWZMROJVIEJE-LBPRGKRZSA-N 2 2 265.307 2.489 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757412 522343670 /nfs/dbraw/zinc/34/36/70/522343670.db2.gz QHKJBFGIVYYVLU-VNHYZAJKSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757412 522343676 /nfs/dbraw/zinc/34/36/76/522343676.db2.gz QHKJBFGIVYYVLU-VNHYZAJKSA-N 2 2 266.385 2.295 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266368 523682125 /nfs/dbraw/zinc/68/21/25/523682125.db2.gz XKPHBVNXLUZLDD-MRXNPFEDSA-N 2 2 262.397 2.435 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266368 523682130 /nfs/dbraw/zinc/68/21/30/523682130.db2.gz XKPHBVNXLUZLDD-MRXNPFEDSA-N 2 2 262.397 2.435 10 0 CEAELP COC(=O)[C@@](Cn1cc[nH+]c1C(C)C)([NH2+]C(C)C)C1CC1 ZINC000069191635 523826016 /nfs/dbraw/zinc/82/60/16/523826016.db2.gz MRHMMDCNJBOVDB-INIZCTEOSA-N 2 2 293.411 2.326 10 0 CEAELP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596118 523967601 /nfs/dbraw/zinc/96/76/01/523967601.db2.gz RKWCBOWUVIFMHU-GFCCVEGCSA-N 2 2 299.212 2.122 10 0 CEAELP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596118 523967604 /nfs/dbraw/zinc/96/76/04/523967604.db2.gz RKWCBOWUVIFMHU-GFCCVEGCSA-N 2 2 299.212 2.122 10 0 CEAELP COc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCSC2)cc1 ZINC000061590132 524009996 /nfs/dbraw/zinc/00/99/96/524009996.db2.gz VQBVWRJWXOWKMC-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP COc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCSC2)cc1 ZINC000061590132 524010000 /nfs/dbraw/zinc/01/00/00/524010000.db2.gz VQBVWRJWXOWKMC-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000049150597 524316001 /nfs/dbraw/zinc/31/60/01/524316001.db2.gz BJFZEHLEJZOFSP-OAHLLOKOSA-N 3 2 288.439 2.124 10 0 CEAELP COc1ccccc1C[N@H+](C)Cc1ccc[nH+]c1NN ZINC000052720396 524437484 /nfs/dbraw/zinc/43/74/84/524437484.db2.gz BPUDOERNDCLXNU-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP COc1ccccc1C[N@@H+](C)Cc1ccc[nH+]c1NN ZINC000052720396 524437494 /nfs/dbraw/zinc/43/74/94/524437494.db2.gz BPUDOERNDCLXNU-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP COc1ccccc1C[N@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761348 524438427 /nfs/dbraw/zinc/43/84/27/524438427.db2.gz FZRZNBVATSSRGT-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP COc1ccccc1C[N@@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761348 524438441 /nfs/dbraw/zinc/43/84/41/524438441.db2.gz FZRZNBVATSSRGT-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757495 524800636 /nfs/dbraw/zinc/80/06/36/524800636.db2.gz VBGQYXQEKMSPIK-VBQJREDUSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757495 524800646 /nfs/dbraw/zinc/80/06/46/524800646.db2.gz VBGQYXQEKMSPIK-VBQJREDUSA-N 2 2 292.423 2.320 10 0 CEAELP Cc1c(C)n(CC[NH+]2CCCCC2)c2nc(C)[nH+]c(N)c12 ZINC000049575426 525683690 /nfs/dbraw/zinc/68/36/90/525683690.db2.gz XTAINXFIBNPONF-UHFFFAOYSA-N 2 2 287.411 2.425 10 0 CEAELP Cc1cc2[nH+]cn(Cc3cc(C[NH3+])no3)c2cc1C ZINC000052575660 525686561 /nfs/dbraw/zinc/68/65/61/525686561.db2.gz FATHXDKSYPDKAG-UHFFFAOYSA-N 2 2 256.309 2.148 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCOCC2)s1 ZINC000061914210 525979077 /nfs/dbraw/zinc/97/90/77/525979077.db2.gz KDMBCPDVHPPXFH-YPMHNXCESA-N 2 2 254.399 2.167 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCOCC2)s1 ZINC000061914210 525979085 /nfs/dbraw/zinc/97/90/85/525979085.db2.gz KDMBCPDVHPPXFH-YPMHNXCESA-N 2 2 254.399 2.167 10 0 CEAELP Cc1[nH]c(CNc2ccc(N3CCCC3)[nH+]c2)c[nH+]1 ZINC000054821825 526897869 /nfs/dbraw/zinc/89/78/69/526897869.db2.gz ACVGJYGXTFWVDF-UHFFFAOYSA-N 2 2 257.341 2.325 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1cccc(Br)c1 ZINC000052304120 527198367 /nfs/dbraw/zinc/19/83/67/527198367.db2.gz WRNMFYGKPYUMAZ-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP Cc1nn(C)c2sc([C@@H]3[NH2+][C@H](C)CC[C@H]3[NH3+])cc12 ZINC000757215982 574513090 /nfs/dbraw/zinc/51/30/90/574513090.db2.gz ORLSVWDDLPEBGU-NYRNMGCKSA-N 2 2 264.398 2.084 10 0 CEAELP COc1cc(Cl)c(C)cc1-n1c[nH+]cc1CC[NH3+] ZINC000097009558 185151375 /nfs/dbraw/zinc/15/13/75/185151375.db2.gz HWOMAXDWQCMATP-UHFFFAOYSA-N 2 2 265.744 2.344 10 0 CEAELP Brc1ccc(Cn2c[nH+]cc2C2C[NH2+]C2)cc1 ZINC000097013316 185151634 /nfs/dbraw/zinc/15/16/34/185151634.db2.gz ZDJONZMVRRTUCH-UHFFFAOYSA-N 2 2 292.180 2.381 10 0 CEAELP COC[C@@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000131700263 539263358 /nfs/dbraw/zinc/26/33/58/539263358.db2.gz QTSHDUAPGOWDKL-ZFWWWQNUSA-N 2 2 250.386 2.161 10 0 CEAELP [NH3+]C[C@@H]([NH3+])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000044470571 362154251 /nfs/dbraw/zinc/15/42/51/362154251.db2.gz XOMPISFHVCAGSJ-SSDOTTSWSA-N 2 2 254.639 2.197 10 0 CEAELP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)c(Br)c1 ZINC000137161625 344386800 /nfs/dbraw/zinc/38/68/00/344386800.db2.gz IMXNGKKYMRCQGU-VIFPVBQESA-N 2 2 263.566 2.322 10 0 CEAELP C[N@@H+](Cc1cscn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328620831 344755624 /nfs/dbraw/zinc/75/56/24/344755624.db2.gz ADFXQTBMLOUEBS-LLVKDONJSA-N 2 2 262.382 2.034 10 0 CEAELP C[N@H+](Cc1cscn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328620831 344755626 /nfs/dbraw/zinc/75/56/26/344755626.db2.gz ADFXQTBMLOUEBS-LLVKDONJSA-N 2 2 262.382 2.034 10 0 CEAELP CC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127393382 187302136 /nfs/dbraw/zinc/30/21/36/187302136.db2.gz MTZHQEFBUMZDQH-DLBZAZTESA-N 2 2 276.424 2.054 10 0 CEAELP CC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127393382 187302138 /nfs/dbraw/zinc/30/21/38/187302138.db2.gz MTZHQEFBUMZDQH-DLBZAZTESA-N 2 2 276.424 2.054 10 0 CEAELP Cc1cc2[nH+]cn([C@@H](C)C[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304591 179011958 /nfs/dbraw/zinc/01/19/58/179011958.db2.gz VGXGVIJDZQXBQB-SWLSCSKDSA-N 2 2 261.369 2.314 10 0 CEAELP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468370 179073340 /nfs/dbraw/zinc/07/33/40/179073340.db2.gz WUVYAHZCJZKNIU-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468370 179073344 /nfs/dbraw/zinc/07/33/44/179073344.db2.gz WUVYAHZCJZKNIU-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP COCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C(C)C ZINC000085502983 179084788 /nfs/dbraw/zinc/08/47/88/179084788.db2.gz QJXLFJUOZJTTLM-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C(C)C ZINC000085502983 179084791 /nfs/dbraw/zinc/08/47/91/179084791.db2.gz QJXLFJUOZJTTLM-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085509915 179085562 /nfs/dbraw/zinc/08/55/62/179085562.db2.gz KUMNONLTOBLILQ-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP COCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCCC2 ZINC000085516051 179087514 /nfs/dbraw/zinc/08/75/14/179087514.db2.gz FRKARCSWWUOFMK-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCCC2 ZINC000085516051 179087515 /nfs/dbraw/zinc/08/75/15/179087515.db2.gz FRKARCSWWUOFMK-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498650 179083321 /nfs/dbraw/zinc/08/33/21/179083321.db2.gz CBWBOGHBXSSEEI-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498650 179083323 /nfs/dbraw/zinc/08/33/23/179083323.db2.gz CBWBOGHBXSSEEI-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609366 179101336 /nfs/dbraw/zinc/10/13/36/179101336.db2.gz WPEIKAYQYVQRDP-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609366 179101339 /nfs/dbraw/zinc/10/13/39/179101339.db2.gz WPEIKAYQYVQRDP-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP CCC[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000085612390 179102607 /nfs/dbraw/zinc/10/26/07/179102607.db2.gz SGGAEYMZDQVVGP-AWEZNQCLSA-N 2 2 272.396 2.298 10 0 CEAELP CC(C)[C@@H]1C[N@H+](CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617929 179103699 /nfs/dbraw/zinc/10/36/99/179103699.db2.gz LDVCRFKCVPHGOA-RYUDHWBXSA-N 2 2 282.350 2.274 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617929 179103702 /nfs/dbraw/zinc/10/37/02/179103702.db2.gz LDVCRFKCVPHGOA-RYUDHWBXSA-N 2 2 282.350 2.274 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1OC ZINC000085615881 179104501 /nfs/dbraw/zinc/10/45/01/179104501.db2.gz NXCVLDXCGIUMBF-OAHLLOKOSA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1OC ZINC000085615881 179104502 /nfs/dbraw/zinc/10/45/02/179104502.db2.gz NXCVLDXCGIUMBF-OAHLLOKOSA-N 2 2 290.407 2.278 10 0 CEAELP Cc1cc([C@H](C[NH3+])[NH+](C)C)ccc1Br ZINC000085707107 179121980 /nfs/dbraw/zinc/12/19/80/179121980.db2.gz DNFAXCJWASFWDV-NSHDSACASA-N 2 2 257.175 2.319 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(F)c(Br)c1)C[NH+](C)C ZINC000085798774 179172989 /nfs/dbraw/zinc/17/29/89/179172989.db2.gz QKVPESIWIUTNLL-JTQLQIEISA-N 2 2 289.192 2.280 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260146 179259221 /nfs/dbraw/zinc/25/92/21/179259221.db2.gz YOEYITRWDPRGNR-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260146 179259224 /nfs/dbraw/zinc/25/92/24/179259224.db2.gz YOEYITRWDPRGNR-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261356 179260184 /nfs/dbraw/zinc/26/01/84/179260184.db2.gz VFRCPBBGDQRZJW-YJNKXOJESA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C2CC2)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261356 179260187 /nfs/dbraw/zinc/26/01/87/179260187.db2.gz VFRCPBBGDQRZJW-YJNKXOJESA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264807 179261238 /nfs/dbraw/zinc/26/12/38/179261238.db2.gz FCGGCWFHDATGLK-OLZOCXBDSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@]1(C)C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000086265157 179262094 /nfs/dbraw/zinc/26/20/94/179262094.db2.gz XXFMPIMACHXZTE-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@]1(C)C[N@@H+]([C@@H]2CCCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000086265157 179262095 /nfs/dbraw/zinc/26/20/95/179262095.db2.gz XXFMPIMACHXZTE-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP c1cc(CC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086288763 179264524 /nfs/dbraw/zinc/26/45/24/179264524.db2.gz CDNNAOGJVNJBHN-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP c1cc(CC[N@H+]2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086288763 179264525 /nfs/dbraw/zinc/26/45/25/179264525.db2.gz CDNNAOGJVNJBHN-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266321 /nfs/dbraw/zinc/26/63/21/179266321.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP C[N@H+]1CCC[C@@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266323 /nfs/dbraw/zinc/26/63/23/179266323.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266324 /nfs/dbraw/zinc/26/63/24/179266324.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP C[NH+]1CCC[C@@H](C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266326 /nfs/dbraw/zinc/26/63/26/179266326.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP C[C@@H]1CN(c2ccc([NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000086296670 179267606 /nfs/dbraw/zinc/26/76/06/179267606.db2.gz UVTHQUCXMZBXKC-CQSZACIVSA-N 2 2 259.397 2.475 10 0 CEAELP C[C@H]1CN(c2ccc([NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000086296673 179267842 /nfs/dbraw/zinc/26/78/42/179267842.db2.gz UVTHQUCXMZBXKC-AWEZNQCLSA-N 2 2 259.397 2.475 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)c(OC)c1 ZINC000086297686 179268095 /nfs/dbraw/zinc/26/80/95/179268095.db2.gz OXVWYAICZXJTJI-INIZCTEOSA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)c(OC)c1 ZINC000086297686 179268096 /nfs/dbraw/zinc/26/80/96/179268096.db2.gz OXVWYAICZXJTJI-INIZCTEOSA-N 2 2 290.407 2.278 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ccccc1Br ZINC000086486118 179301555 /nfs/dbraw/zinc/30/15/55/179301555.db2.gz JCQYQHUUUILNRY-LLVKDONJSA-N 2 2 280.169 2.425 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000086842586 179353131 /nfs/dbraw/zinc/35/31/31/179353131.db2.gz ATXOQSHSHWBGOO-LBPRGKRZSA-N 2 2 253.415 2.496 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000086842586 179353132 /nfs/dbraw/zinc/35/31/32/179353132.db2.gz ATXOQSHSHWBGOO-LBPRGKRZSA-N 2 2 253.415 2.496 10 0 CEAELP [NH3+]C[C@@]1([NH+](CC2CC2)CC2CC2)CCCOCC1 ZINC000086875918 179365489 /nfs/dbraw/zinc/36/54/89/179365489.db2.gz RCUZGUYAVSCGIQ-OAHLLOKOSA-N 2 2 252.402 2.006 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994818 179376111 /nfs/dbraw/zinc/37/61/11/179376111.db2.gz DOVFXMWTLZVIHF-BXUZGUMPSA-N 2 2 252.333 2.047 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994818 179376112 /nfs/dbraw/zinc/37/61/12/179376112.db2.gz DOVFXMWTLZVIHF-BXUZGUMPSA-N 2 2 252.333 2.047 10 0 CEAELP CCC[C@H](C[NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000087517497 179438569 /nfs/dbraw/zinc/43/85/69/179438569.db2.gz NDJDNSWNKCNIRC-GFCCVEGCSA-N 2 2 272.352 2.186 10 0 CEAELP CCOC(=O)c1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000616620290 348537216 /nfs/dbraw/zinc/53/72/16/348537216.db2.gz UTDRKTTUBPZERO-UHFFFAOYSA-N 2 2 276.380 2.001 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616621477 348537251 /nfs/dbraw/zinc/53/72/51/348537251.db2.gz PIAXAUUYPLGMEP-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616621477 348537252 /nfs/dbraw/zinc/53/72/52/348537252.db2.gz PIAXAUUYPLGMEP-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP CC[NH+](CC)CCNCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088438318 179601526 /nfs/dbraw/zinc/60/15/26/179601526.db2.gz VQXFBNSDPPGNHR-UHFFFAOYSA-N 2 2 295.393 2.192 10 0 CEAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000089451597 539717264 /nfs/dbraw/zinc/71/72/64/539717264.db2.gz CRFUGOGCRYSXOG-OLZOCXBDSA-N 2 2 284.363 2.186 10 0 CEAELP C[NH+](C)CC[NH2+]CCn1ccc2cc(Cl)ccc21 ZINC000104408113 185990715 /nfs/dbraw/zinc/99/07/15/185990715.db2.gz NTSZOIKBINPLKW-UHFFFAOYSA-N 2 2 265.788 2.446 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000090567131 180006421 /nfs/dbraw/zinc/00/64/21/180006421.db2.gz IQICKTDUQCJPLA-RWMBFGLXSA-N 2 2 283.441 2.117 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892412 180054031 /nfs/dbraw/zinc/05/40/31/180054031.db2.gz HFDAPWSPECPTIC-GJZGRUSLSA-N 2 2 280.387 2.305 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](Cn1cc[nH+]c1C[C@@H](C)[NH3+])O2 ZINC000090901594 180058747 /nfs/dbraw/zinc/05/87/47/180058747.db2.gz PIGCAOASTNFGED-OCCSQVGLSA-N 2 2 271.364 2.085 10 0 CEAELP CC[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900163 180059116 /nfs/dbraw/zinc/05/91/16/180059116.db2.gz LDBAFBCYPBNNSO-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CC[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900163 180059117 /nfs/dbraw/zinc/05/91/17/180059117.db2.gz LDBAFBCYPBNNSO-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)o1 ZINC000090907808 180062019 /nfs/dbraw/zinc/06/20/19/180062019.db2.gz FVHHFZBYCRPTOA-OKILXGFUSA-N 2 2 264.369 2.061 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C)o1 ZINC000090907808 180062020 /nfs/dbraw/zinc/06/20/20/180062020.db2.gz FVHHFZBYCRPTOA-OKILXGFUSA-N 2 2 264.369 2.061 10 0 CEAELP CC[NH2+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907514 180062056 /nfs/dbraw/zinc/06/20/56/180062056.db2.gz XSNVLKZUEXCVRZ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907514 180062057 /nfs/dbraw/zinc/06/20/57/180062057.db2.gz XSNVLKZUEXCVRZ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+]C[C@@](C)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907502 180062338 /nfs/dbraw/zinc/06/23/38/180062338.db2.gz YXZFTQIVUNVWLS-BBWFWOEESA-N 2 2 274.408 2.027 10 0 CEAELP C[NH2+]C[C@@](C)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907502 180062339 /nfs/dbraw/zinc/06/23/39/180062339.db2.gz YXZFTQIVUNVWLS-BBWFWOEESA-N 2 2 274.408 2.027 10 0 CEAELP Nc1ccsc1C[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000090959942 180075443 /nfs/dbraw/zinc/07/54/43/180075443.db2.gz CCPXZYYZRGBFKY-VXGBXAGGSA-N 2 2 262.382 2.410 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000091318672 180133977 /nfs/dbraw/zinc/13/39/77/180133977.db2.gz RRRODFIZEINDME-OAHLLOKOSA-N 2 2 295.471 2.275 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000091322869 180134305 /nfs/dbraw/zinc/13/43/05/180134305.db2.gz FKUDYLVZTGNDEW-OAHLLOKOSA-N 2 2 297.487 2.330 10 0 CEAELP CC(C)(C)C1CC[NH+]([C@@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323503 180134760 /nfs/dbraw/zinc/13/47/60/180134760.db2.gz RMZCVJCUCJBPHV-OAHLLOKOSA-N 2 2 295.471 2.084 10 0 CEAELP CC(C)CN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275609 180119019 /nfs/dbraw/zinc/11/90/19/180119019.db2.gz XVUKBLCNQYDELI-CZUORRHYSA-N 2 2 290.411 2.255 10 0 CEAELP CC1(C)CCN([C@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276522 180119995 /nfs/dbraw/zinc/11/99/95/180119995.db2.gz DVHXWLCBHWSQOC-CYBMUJFWSA-N 2 2 262.401 2.340 10 0 CEAELP O[C@H](c1c[nH+]cn1C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091277385 180120058 /nfs/dbraw/zinc/12/00/58/180120058.db2.gz QCUBQQYUUYPSST-HZPDHXFCSA-N 2 2 269.348 2.138 10 0 CEAELP O[C@H](c1c[nH+]cn1C1CC1)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091277439 180120404 /nfs/dbraw/zinc/12/04/04/180120404.db2.gz OYVGVQQWKVKDTA-HUUCEWRRSA-N 2 2 255.321 2.096 10 0 CEAELP COC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000091437404 180154985 /nfs/dbraw/zinc/15/49/85/180154985.db2.gz PJUXWPHHPNKUFA-GFCCVEGCSA-N 2 2 259.353 2.305 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)CC1CC(O)C1 ZINC000091451822 180158576 /nfs/dbraw/zinc/15/85/76/180158576.db2.gz AEUKYDNXSOOFCG-CCAROEGRSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)CC1CC(O)C1 ZINC000091451822 180158578 /nfs/dbraw/zinc/15/85/78/180158578.db2.gz AEUKYDNXSOOFCG-CCAROEGRSA-N 2 2 268.426 2.229 10 0 CEAELP CC(C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCCCC1 ZINC000091567369 180194916 /nfs/dbraw/zinc/19/49/16/180194916.db2.gz UPVWTBOVBYMCDI-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599266 180202422 /nfs/dbraw/zinc/20/24/22/180202422.db2.gz XOXSBMUTCIEJAM-HUUCEWRRSA-N 2 2 266.433 2.061 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1cc[nH+]c(N)c1)NC ZINC000091599126 180202521 /nfs/dbraw/zinc/20/25/21/180202521.db2.gz ATAHKMMZECLDBV-GDBMZVCRSA-N 2 2 278.444 2.305 10 0 CEAELP CC[C@](C)([C@@H]([NH2+]C)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000091609636 180205736 /nfs/dbraw/zinc/20/57/36/180205736.db2.gz CEJPCAUSQFWKRI-QLFBSQMISA-N 2 2 254.418 2.266 10 0 CEAELP CCC(CC)([C@H]([NH3+])C1CCOCC1)[NH+]1CCCC1 ZINC000091634706 180211481 /nfs/dbraw/zinc/21/14/81/180211481.db2.gz TZISWCGCMSNVFY-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH+](C)C1([C@@H]([NH3+])C2CCOCC2)CCCCCC1 ZINC000091654053 180217107 /nfs/dbraw/zinc/21/71/07/180217107.db2.gz JKEUELSEEKJKRQ-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H](CCc1ccc(OC)cc1)C[NH+](C)C ZINC000091719738 180234445 /nfs/dbraw/zinc/23/44/45/180234445.db2.gz JBMVOOKUYBVHEI-AWEZNQCLSA-N 2 2 250.386 2.168 10 0 CEAELP C[NH2+][C@H](c1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721195 180238476 /nfs/dbraw/zinc/23/84/76/180238476.db2.gz SWSXVHLDMKGAAJ-RBSFLKMASA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1cccc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721195 180238478 /nfs/dbraw/zinc/23/84/78/180238478.db2.gz SWSXVHLDMKGAAJ-RBSFLKMASA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721455 180238932 /nfs/dbraw/zinc/23/89/32/180238932.db2.gz GNROODLLUNULMO-RBSFLKMASA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721455 180238935 /nfs/dbraw/zinc/23/89/35/180238935.db2.gz GNROODLLUNULMO-RBSFLKMASA-N 2 2 280.799 2.464 10 0 CEAELP O[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302089 539781198 /nfs/dbraw/zinc/78/11/98/539781198.db2.gz VKKODQWSFMSBFS-RDJZCZTQSA-N 2 2 292.398 2.249 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052187 180312691 /nfs/dbraw/zinc/31/26/91/180312691.db2.gz YYSYAQIAARZEMA-OAHLLOKOSA-N 2 2 254.418 2.267 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052187 180312692 /nfs/dbraw/zinc/31/26/92/180312692.db2.gz YYSYAQIAARZEMA-OAHLLOKOSA-N 2 2 254.418 2.267 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054503 180314542 /nfs/dbraw/zinc/31/45/42/180314542.db2.gz UXDXJTDYHHJFDA-KRWDZBQOSA-N 2 2 292.423 2.142 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054503 180314544 /nfs/dbraw/zinc/31/45/44/180314544.db2.gz UXDXJTDYHHJFDA-KRWDZBQOSA-N 2 2 292.423 2.142 10 0 CEAELP CC[C@]1(C)C[C@@](C[NH3+])([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082703 180319495 /nfs/dbraw/zinc/31/94/95/180319495.db2.gz MCHOLMAXZVCHCU-BARDWOONSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@]1(C)C[C@@](C[NH3+])([N@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082703 180319497 /nfs/dbraw/zinc/31/94/97/180319497.db2.gz MCHOLMAXZVCHCU-BARDWOONSA-N 2 2 254.418 2.251 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087518 180321370 /nfs/dbraw/zinc/32/13/70/180321370.db2.gz QLXFLXGCQBSSAH-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087518 180321371 /nfs/dbraw/zinc/32/13/71/180321371.db2.gz QLXFLXGCQBSSAH-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1C[C@H](C)[C@@H](C)C1)[NH2+]C1CC1 ZINC000092087840 180321455 /nfs/dbraw/zinc/32/14/55/180321455.db2.gz JLQAGKINCMFWIF-XEZPLFJOSA-N 2 2 282.428 2.038 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000105897772 186085617 /nfs/dbraw/zinc/08/56/17/186085617.db2.gz UTUDPFRADVGTED-CQSZACIVSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000105897772 186085618 /nfs/dbraw/zinc/08/56/18/186085618.db2.gz UTUDPFRADVGTED-CQSZACIVSA-N 2 2 273.384 2.016 10 0 CEAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417234 180380898 /nfs/dbraw/zinc/38/08/98/180380898.db2.gz LNZFWYDFECHYMV-CYBMUJFWSA-N 2 2 253.777 2.438 10 0 CEAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417234 180380900 /nfs/dbraw/zinc/38/09/00/180380900.db2.gz LNZFWYDFECHYMV-CYBMUJFWSA-N 2 2 253.777 2.438 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccn1 ZINC000092417139 180381262 /nfs/dbraw/zinc/38/12/62/180381262.db2.gz GYFXWFDREFMKMK-VGPLMAKISA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccn1 ZINC000092417139 180381263 /nfs/dbraw/zinc/38/12/63/180381263.db2.gz GYFXWFDREFMKMK-VGPLMAKISA-N 2 2 251.761 2.189 10 0 CEAELP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@H](C)CC2)cs1 ZINC000110812503 186326481 /nfs/dbraw/zinc/32/64/81/186326481.db2.gz NPYWQHBOZYNZKK-NSHDSACASA-N 2 2 253.415 2.485 10 0 CEAELP C[NH2+]Cc1nc(C[N@H+]2CCC[C@H](C)CC2)cs1 ZINC000110812503 186326483 /nfs/dbraw/zinc/32/64/83/186326483.db2.gz NPYWQHBOZYNZKK-NSHDSACASA-N 2 2 253.415 2.485 10 0 CEAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)c(Cl)c1OC ZINC000110821655 186327797 /nfs/dbraw/zinc/32/77/97/186327797.db2.gz ILLVQWOZHZEMMV-NSHDSACASA-N 2 2 298.814 2.399 10 0 CEAELP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c(Cl)c1OC ZINC000110821655 186327798 /nfs/dbraw/zinc/32/77/98/186327798.db2.gz ILLVQWOZHZEMMV-NSHDSACASA-N 2 2 298.814 2.399 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977467 186338965 /nfs/dbraw/zinc/33/89/65/186338965.db2.gz OMNPIWTYFBVJII-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977467 186338967 /nfs/dbraw/zinc/33/89/67/186338967.db2.gz OMNPIWTYFBVJII-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCN1C ZINC000110751129 186319845 /nfs/dbraw/zinc/31/98/45/186319845.db2.gz NCQJPIMUXUHREL-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCN1C ZINC000110751129 186319846 /nfs/dbraw/zinc/31/98/46/186319846.db2.gz NCQJPIMUXUHREL-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)Cc1ccc(C[NH3+])cc1 ZINC000111043078 186347453 /nfs/dbraw/zinc/34/74/53/186347453.db2.gz LMOHYESYPNRUPD-UHFFFAOYSA-N 2 2 255.321 2.030 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154053 186360983 /nfs/dbraw/zinc/36/09/83/186360983.db2.gz CWNSYMLHTVKMGI-IHRRRGAJSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154053 186360984 /nfs/dbraw/zinc/36/09/84/186360984.db2.gz CWNSYMLHTVKMGI-IHRRRGAJSA-N 2 2 256.434 2.497 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)ccc1F ZINC000111159413 186361661 /nfs/dbraw/zinc/36/16/61/186361661.db2.gz VOZFFRFGZKVSDH-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)ccc1F ZINC000111159413 186361662 /nfs/dbraw/zinc/36/16/62/186361662.db2.gz VOZFFRFGZKVSDH-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP CCOCCN(CC)c1[nH+]c(C)cc(C)c1C[NH2+]C ZINC000111123549 186355061 /nfs/dbraw/zinc/35/50/61/186355061.db2.gz NRGUXZHERKFJMA-UHFFFAOYSA-N 2 2 265.401 2.281 10 0 CEAELP CC(C)C[NH2+]Cc1cc(N(C)CCC[NH+](C)C)cc[nH+]1 ZINC000111149414 186358559 /nfs/dbraw/zinc/35/85/59/186358559.db2.gz JIWXXUQDAOOXFH-UHFFFAOYSA-N 3 2 278.444 2.215 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320889 186396946 /nfs/dbraw/zinc/39/69/46/186396946.db2.gz OSEQUIFPXXZKEW-TZMCWYRMSA-N 2 2 268.426 2.324 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320889 186396947 /nfs/dbraw/zinc/39/69/47/186396947.db2.gz OSEQUIFPXXZKEW-TZMCWYRMSA-N 2 2 268.426 2.324 10 0 CEAELP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325120 186398267 /nfs/dbraw/zinc/39/82/67/186398267.db2.gz XDBKWZZRBIBNRM-OAHLLOKOSA-N 2 2 266.385 2.036 10 0 CEAELP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325120 186398268 /nfs/dbraw/zinc/39/82/68/186398268.db2.gz XDBKWZZRBIBNRM-OAHLLOKOSA-N 2 2 266.385 2.036 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)CCC[NH+](C)C ZINC000111239061 186374868 /nfs/dbraw/zinc/37/48/68/186374868.db2.gz FVLKEHQBTOFWOJ-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+](C)CCC[NH+](C)C ZINC000111239061 186374870 /nfs/dbraw/zinc/37/48/70/186374870.db2.gz FVLKEHQBTOFWOJ-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CCCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccncc2)[nH+]1 ZINC000070455876 363084896 /nfs/dbraw/zinc/08/48/96/363084896.db2.gz IELWYKMCZFGLFI-CYBMUJFWSA-N 2 2 283.379 2.029 10 0 CEAELP CO[C@H]1C[N@H+](Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364815 351712934 /nfs/dbraw/zinc/71/29/34/351712934.db2.gz WCEBKNFAEVKZPC-HZPDHXFCSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364815 351712937 /nfs/dbraw/zinc/71/29/37/351712937.db2.gz WCEBKNFAEVKZPC-HZPDHXFCSA-N 2 2 262.397 2.242 10 0 CEAELP COc1ccc[nH+]c1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000630549871 351780519 /nfs/dbraw/zinc/78/05/19/351780519.db2.gz FAHDCEZVWUUEEN-AWEZNQCLSA-N 2 2 271.364 2.462 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000122936963 187060901 /nfs/dbraw/zinc/06/09/01/187060901.db2.gz JFMVZHHCCIEXGM-GFCCVEGCSA-N 2 2 277.397 2.134 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000122936963 187060902 /nfs/dbraw/zinc/06/09/02/187060902.db2.gz JFMVZHHCCIEXGM-GFCCVEGCSA-N 2 2 277.397 2.134 10 0 CEAELP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)C1 ZINC000070574542 363097026 /nfs/dbraw/zinc/09/70/26/363097026.db2.gz FPFNCVGQJAVRBD-STQMWFEESA-N 2 2 284.363 2.328 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000123568632 187099043 /nfs/dbraw/zinc/09/90/43/187099043.db2.gz ONXNSFXNJVEDGE-UKRRQHHQSA-N 2 2 265.401 2.243 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@](C)(O)CC)C1 ZINC000123568632 187099044 /nfs/dbraw/zinc/09/90/44/187099044.db2.gz ONXNSFXNJVEDGE-UKRRQHHQSA-N 2 2 265.401 2.243 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1F ZINC000380681581 540134938 /nfs/dbraw/zinc/13/49/38/540134938.db2.gz KAFRZEZHGPNYLM-DZGCQCFKSA-N 2 2 282.403 2.486 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1F ZINC000380681581 540134943 /nfs/dbraw/zinc/13/49/43/540134943.db2.gz KAFRZEZHGPNYLM-DZGCQCFKSA-N 2 2 282.403 2.486 10 0 CEAELP CCCCOC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101677 366621260 /nfs/dbraw/zinc/62/12/60/366621260.db2.gz SYJUPKYYKILEJF-CQSZACIVSA-N 2 2 291.395 2.159 10 0 CEAELP CCCCOC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151101677 366621262 /nfs/dbraw/zinc/62/12/62/366621262.db2.gz SYJUPKYYKILEJF-CQSZACIVSA-N 2 2 291.395 2.159 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519735 189122977 /nfs/dbraw/zinc/12/29/77/189122977.db2.gz WELLKGATXMBSOM-GXTWGEPZSA-N 2 2 268.426 2.246 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000154146088 366759231 /nfs/dbraw/zinc/75/92/31/366759231.db2.gz XEOZZTMSSDNCCC-QGZVFWFLSA-N 2 2 290.455 2.388 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232433 189351395 /nfs/dbraw/zinc/35/13/95/189351395.db2.gz RSJABOUEVWIIOV-STQMWFEESA-N 2 2 298.377 2.462 10 0 CEAELP C[C@@H](C[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116878951 365077324 /nfs/dbraw/zinc/07/73/24/365077324.db2.gz UKYCYRTUDCTWPL-GOEBONIOSA-N 2 2 262.397 2.053 10 0 CEAELP C[C@@H](C[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116878951 365077330 /nfs/dbraw/zinc/07/73/30/365077330.db2.gz UKYCYRTUDCTWPL-GOEBONIOSA-N 2 2 262.397 2.053 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000119420576 365271346 /nfs/dbraw/zinc/27/13/46/365271346.db2.gz HPUZVGWFNCRULH-SRABZTEZSA-N 2 2 274.408 2.274 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000119420576 365271352 /nfs/dbraw/zinc/27/13/52/365271352.db2.gz HPUZVGWFNCRULH-SRABZTEZSA-N 2 2 274.408 2.274 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631843313 367586234 /nfs/dbraw/zinc/58/62/34/367586234.db2.gz MDXHFQHNBKVGIU-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631843313 367586238 /nfs/dbraw/zinc/58/62/38/367586238.db2.gz MDXHFQHNBKVGIU-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[N@@H+]4CCCC[C@H]4C3)cn2c1 ZINC000246129608 370912862 /nfs/dbraw/zinc/91/28/62/370912862.db2.gz MFJHCWJDBYSNLA-INIZCTEOSA-N 2 2 284.407 2.313 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[N@H+]4CCCC[C@H]4C3)cn2c1 ZINC000246129608 370912866 /nfs/dbraw/zinc/91/28/66/370912866.db2.gz MFJHCWJDBYSNLA-INIZCTEOSA-N 2 2 284.407 2.313 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982176 /nfs/dbraw/zinc/98/21/76/370982176.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 2 281.488 2.427 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982184 /nfs/dbraw/zinc/98/21/84/370982184.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982187 /nfs/dbraw/zinc/98/21/87/370982187.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982193 /nfs/dbraw/zinc/98/21/93/370982193.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 2 281.488 2.427 10 0 CEAELP Cc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669746 189814256 /nfs/dbraw/zinc/81/42/56/189814256.db2.gz KWOZMGFNKKJLFW-AWEZNQCLSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669746 189814257 /nfs/dbraw/zinc/81/42/57/189814257.db2.gz KWOZMGFNKKJLFW-AWEZNQCLSA-N 2 2 275.396 2.007 10 0 CEAELP CC(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478129 369628046 /nfs/dbraw/zinc/62/80/46/369628046.db2.gz NAIOTRMRDAVQKF-INIZCTEOSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478129 369628053 /nfs/dbraw/zinc/62/80/53/369628053.db2.gz NAIOTRMRDAVQKF-INIZCTEOSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478129 369628056 /nfs/dbraw/zinc/62/80/56/369628056.db2.gz NAIOTRMRDAVQKF-INIZCTEOSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478129 369628062 /nfs/dbraw/zinc/62/80/62/369628062.db2.gz NAIOTRMRDAVQKF-INIZCTEOSA-N 2 2 261.413 2.491 10 0 CEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000231670389 370486678 /nfs/dbraw/zinc/48/66/78/370486678.db2.gz HXLITFJOEFWCAR-PCKAHOCUSA-N 2 2 295.471 2.097 10 0 CEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000231670389 370486684 /nfs/dbraw/zinc/48/66/84/370486684.db2.gz HXLITFJOEFWCAR-PCKAHOCUSA-N 2 2 295.471 2.097 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000235725873 370575664 /nfs/dbraw/zinc/57/56/64/370575664.db2.gz SHGLOCLVRYAVET-NHYWBVRUSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1ccc2cc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)ccc2n1 ZINC000235725873 370575668 /nfs/dbraw/zinc/57/56/68/370575668.db2.gz SHGLOCLVRYAVET-NHYWBVRUSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000246822167 371017362 /nfs/dbraw/zinc/01/73/62/371017362.db2.gz CMQGGLSHHRXRAK-GDBMZVCRSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)cn2c1 ZINC000246822167 371017363 /nfs/dbraw/zinc/01/73/63/371017363.db2.gz CMQGGLSHHRXRAK-GDBMZVCRSA-N 2 2 284.407 2.311 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1cc(Br)cs1 ZINC000250628635 371387930 /nfs/dbraw/zinc/38/79/30/371387930.db2.gz QQXGALQCTGPRTA-XVKPBYJWSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1cc(Br)cs1 ZINC000250628635 371387933 /nfs/dbraw/zinc/38/79/33/371387933.db2.gz QQXGALQCTGPRTA-XVKPBYJWSA-N 2 2 275.215 2.462 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253092305 371495374 /nfs/dbraw/zinc/49/53/74/371495374.db2.gz KRARFGZRMYXSKH-OAGGEKHMSA-N 2 2 277.412 2.207 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253092305 371495381 /nfs/dbraw/zinc/49/53/81/371495381.db2.gz KRARFGZRMYXSKH-OAGGEKHMSA-N 2 2 277.412 2.207 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(Br)c3)C[C@H]12 ZINC000261565452 371650623 /nfs/dbraw/zinc/65/06/23/371650623.db2.gz YKMRMOGBYMHCLP-KGYLQXTDSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(Br)c3)C[C@H]12 ZINC000261565452 371650628 /nfs/dbraw/zinc/65/06/28/371650628.db2.gz YKMRMOGBYMHCLP-KGYLQXTDSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]12 ZINC000261577951 371659143 /nfs/dbraw/zinc/65/91/43/371659143.db2.gz CZTKJRXKLSKJNJ-GBIKHYSHSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]12 ZINC000261577951 371659146 /nfs/dbraw/zinc/65/91/46/371659146.db2.gz CZTKJRXKLSKJNJ-GBIKHYSHSA-N 2 2 270.298 2.273 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000261775366 371728797 /nfs/dbraw/zinc/72/87/97/371728797.db2.gz ZNSAQJBDQXNJEK-INIZCTEOSA-N 2 2 270.380 2.438 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(N)c1 ZINC000261775366 371728800 /nfs/dbraw/zinc/72/88/00/371728800.db2.gz ZNSAQJBDQXNJEK-INIZCTEOSA-N 2 2 270.380 2.438 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]12 ZINC000261653703 371694333 /nfs/dbraw/zinc/69/43/33/371694333.db2.gz YLRTYUHHNSDXID-JMJZKYOTSA-N 2 2 271.286 2.274 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1[NH3+] ZINC000261920020 371770311 /nfs/dbraw/zinc/77/03/11/371770311.db2.gz BMOKOTHASADRJT-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1[NH3+] ZINC000261920020 371770320 /nfs/dbraw/zinc/77/03/20/371770320.db2.gz BMOKOTHASADRJT-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1[NH3+] ZINC000261926746 371773368 /nfs/dbraw/zinc/77/33/68/371773368.db2.gz CIFLEKOPAKVNDI-WBMJQRKESA-N 2 2 260.381 2.254 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1[NH3+] ZINC000261926746 371773374 /nfs/dbraw/zinc/77/33/74/371773374.db2.gz CIFLEKOPAKVNDI-WBMJQRKESA-N 2 2 260.381 2.254 10 0 CEAELP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C[NH3+])n1 ZINC000262259631 371844537 /nfs/dbraw/zinc/84/45/37/371844537.db2.gz QZMSXQFIVNDWLY-QWRGUYRKSA-N 2 2 266.389 2.223 10 0 CEAELP c1c[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000374608861 374612272 /nfs/dbraw/zinc/61/22/72/374612272.db2.gz XPLTYLIEJCVBFN-GVDBMIGSSA-N 2 2 296.418 2.410 10 0 CEAELP c1c[nH]c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000374608861 374612278 /nfs/dbraw/zinc/61/22/78/374612278.db2.gz XPLTYLIEJCVBFN-GVDBMIGSSA-N 2 2 296.418 2.410 10 0 CEAELP Cn1c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nc2ccccc21 ZINC000188401081 542321702 /nfs/dbraw/zinc/32/17/02/542321702.db2.gz MWCUTXFHJNOZAA-CQSZACIVSA-N 2 2 295.390 2.434 10 0 CEAELP Cn1c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)nc2ccccc21 ZINC000188401081 542321707 /nfs/dbraw/zinc/32/17/07/542321707.db2.gz MWCUTXFHJNOZAA-CQSZACIVSA-N 2 2 295.390 2.434 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H]1CNC(=[NH2+])N1C1CCCC1 ZINC000093391930 184670297 /nfs/dbraw/zinc/67/02/97/184670297.db2.gz WIIPKZSCULVPGS-ZDUSSCGKSA-N 2 2 261.373 2.078 10 0 CEAELP C[C@@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000092957713 135077496 /nfs/dbraw/zinc/07/74/96/135077496.db2.gz MENMDHMLGPQRLA-UONOGXRCSA-N 2 2 293.842 2.460 10 0 CEAELP [NH3+][C@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000093206388 135079929 /nfs/dbraw/zinc/07/99/29/135079929.db2.gz SMUVZUVCCBCDJC-QWHCGFSZSA-N 2 2 260.385 2.364 10 0 CEAELP Cc1cccc(N2CC[NH+](C3(C[NH3+])CCC3)CC2)c1C ZINC000093394484 135080565 /nfs/dbraw/zinc/08/05/65/135080565.db2.gz GAKUILLHSMPWAV-UHFFFAOYSA-N 2 2 273.424 2.307 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)CCn1cccn1 ZINC000158818540 395054319 /nfs/dbraw/zinc/05/43/19/395054319.db2.gz QFWLGVLPJJQFEA-HUUCEWRRSA-N 2 2 266.433 2.228 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000249007012 286293024 /nfs/dbraw/zinc/29/30/24/286293024.db2.gz OBUATMNGUNFVML-ARFHVFGLSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCOCC2 ZINC000249007012 286293025 /nfs/dbraw/zinc/29/30/25/286293025.db2.gz OBUATMNGUNFVML-ARFHVFGLSA-N 2 2 296.455 2.035 10 0 CEAELP Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516209 153290876 /nfs/dbraw/zinc/29/08/76/153290876.db2.gz IBWXSNBSVODIIF-ZDUSSCGKSA-N 2 2 287.367 2.015 10 0 CEAELP Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516209 153290878 /nfs/dbraw/zinc/29/08/78/153290878.db2.gz IBWXSNBSVODIIF-ZDUSSCGKSA-N 2 2 287.367 2.015 10 0 CEAELP C[N@@H+](Cc1ccc(Br)cn1)C[C@H]1CC[NH+](C)C1 ZINC000168413879 162366652 /nfs/dbraw/zinc/36/66/52/162366652.db2.gz QVPSKNAVCZMTDW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[N@H+](Cc1ccc(Br)cn1)C[C@H]1CC[NH+](C)C1 ZINC000168413879 162366656 /nfs/dbraw/zinc/36/66/56/162366656.db2.gz QVPSKNAVCZMTDW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1ccc(Br)cn1)C[C@H]1CC[N@H+](C)C1 ZINC000168413879 162366660 /nfs/dbraw/zinc/36/66/60/162366660.db2.gz QVPSKNAVCZMTDW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1ccc(Br)cn1)C[C@H]1CC[N@@H+](C)C1 ZINC000168413879 162366663 /nfs/dbraw/zinc/36/66/63/162366663.db2.gz QVPSKNAVCZMTDW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174482 173008251 /nfs/dbraw/zinc/00/82/51/173008251.db2.gz MKPHPVJRMAGFOC-ZIAGYGMSSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174482 173008253 /nfs/dbraw/zinc/00/82/53/173008253.db2.gz MKPHPVJRMAGFOC-ZIAGYGMSSA-N 2 2 250.411 2.432 10 0 CEAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044564 174052342 /nfs/dbraw/zinc/05/23/42/174052342.db2.gz IKGSWUHIGGAQTL-IRXDYDNUSA-N 2 2 274.408 2.277 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044564 174052343 /nfs/dbraw/zinc/05/23/43/174052343.db2.gz IKGSWUHIGGAQTL-IRXDYDNUSA-N 2 2 274.408 2.277 10 0 CEAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000038046859 174056101 /nfs/dbraw/zinc/05/61/01/174056101.db2.gz HPLMXUWLJDSIOP-ZDUSSCGKSA-N 2 2 272.396 2.098 10 0 CEAELP CCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000038046859 174056102 /nfs/dbraw/zinc/05/61/02/174056102.db2.gz HPLMXUWLJDSIOP-ZDUSSCGKSA-N 2 2 272.396 2.098 10 0 CEAELP CC[NH+]1CCC([NH2+]Cc2c(C)nc3sccn23)CC1 ZINC000038098124 174113599 /nfs/dbraw/zinc/11/35/99/174113599.db2.gz OIBWJPQTSLNTTN-UHFFFAOYSA-N 2 2 278.425 2.278 10 0 CEAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)c1sc(C)nc1C ZINC000040518536 174308076 /nfs/dbraw/zinc/30/80/76/174308076.db2.gz FGEKGJVSCHSOHD-ZWNOBZJWSA-N 2 2 285.457 2.113 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600942 174351073 /nfs/dbraw/zinc/35/10/73/174351073.db2.gz IFTBQNSIRQTRSY-CQSZACIVSA-N 2 2 290.407 2.329 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600942 174351075 /nfs/dbraw/zinc/35/10/75/174351075.db2.gz IFTBQNSIRQTRSY-CQSZACIVSA-N 2 2 290.407 2.329 10 0 CEAELP CCOc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638527 174363049 /nfs/dbraw/zinc/36/30/49/174363049.db2.gz SSQPCTNBIXYNPM-UHFFFAOYSA-N 2 2 259.353 2.151 10 0 CEAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCO2 ZINC000040639289 174363526 /nfs/dbraw/zinc/36/35/26/174363526.db2.gz OXADXAWOOACDJQ-GFCCVEGCSA-N 2 2 271.364 2.248 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000040689111 174376019 /nfs/dbraw/zinc/37/60/19/174376019.db2.gz DDPRDDYWEMGCLZ-INIZCTEOSA-N 2 2 278.396 2.196 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c1 ZINC000040717601 174384991 /nfs/dbraw/zinc/38/49/91/174384991.db2.gz WEKHWPGRQKOLPE-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c1 ZINC000040717601 174384993 /nfs/dbraw/zinc/38/49/93/174384993.db2.gz WEKHWPGRQKOLPE-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748204 174393232 /nfs/dbraw/zinc/39/32/32/174393232.db2.gz UGKLTRUOXIMEFA-XYPWUTKMSA-N 2 2 295.471 2.237 10 0 CEAELP CC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748204 174393233 /nfs/dbraw/zinc/39/32/33/174393233.db2.gz UGKLTRUOXIMEFA-XYPWUTKMSA-N 2 2 295.471 2.237 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC000040749956 174394664 /nfs/dbraw/zinc/39/46/64/174394664.db2.gz RMGHADBRUUYWBT-QXMXGUDHSA-N 2 2 293.798 2.233 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC000040749956 174394666 /nfs/dbraw/zinc/39/46/66/174394666.db2.gz RMGHADBRUUYWBT-QXMXGUDHSA-N 2 2 293.798 2.233 10 0 CEAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cncc(F)c1 ZINC000657433409 414932743 /nfs/dbraw/zinc/93/27/43/414932743.db2.gz WKAJWPDBRWVNQO-SNVBAGLBSA-N 2 2 260.316 2.214 10 0 CEAELP C[C@H]1CC(C[NH2+]Cc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000657458921 414948907 /nfs/dbraw/zinc/94/89/07/414948907.db2.gz RBLMSMIEJYYTCD-RYUDHWBXSA-N 2 2 263.385 2.123 10 0 CEAELP FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326672 175008092 /nfs/dbraw/zinc/00/80/92/175008092.db2.gz YPOXULRGTISFJA-GMTAPVOTSA-N 2 2 250.308 2.449 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)[C@@H]1CCSC1 ZINC000043339153 175013372 /nfs/dbraw/zinc/01/33/72/175013372.db2.gz PGRBGHIIRFSKMI-DYEKYZERSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043339153 175013373 /nfs/dbraw/zinc/01/33/73/175013373.db2.gz PGRBGHIIRFSKMI-DYEKYZERSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCOC)CC(C)C ZINC000043347902 175017977 /nfs/dbraw/zinc/01/79/77/175017977.db2.gz HQSSGNXAXNNWBB-CVEARBPZSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCOC)CC(C)C ZINC000043347902 175017978 /nfs/dbraw/zinc/01/79/78/175017978.db2.gz HQSSGNXAXNNWBB-CVEARBPZSA-N 2 2 279.428 2.464 10 0 CEAELP [NH3+]C[C@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348934 175019143 /nfs/dbraw/zinc/01/91/43/175019143.db2.gz FEOFEXQZUQSVEX-OAHLLOKOSA-N 2 2 264.332 2.493 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353160 175020142 /nfs/dbraw/zinc/02/01/42/175020142.db2.gz HWLJIHKWHHEPHG-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353160 175020144 /nfs/dbraw/zinc/02/01/44/175020144.db2.gz HWLJIHKWHHEPHG-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043353367 175020745 /nfs/dbraw/zinc/02/07/45/175020745.db2.gz OFTGXNZPFPXGCQ-HZSPNIEDSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043353367 175020746 /nfs/dbraw/zinc/02/07/46/175020746.db2.gz OFTGXNZPFPXGCQ-HZSPNIEDSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCC1 ZINC000043354627 175022292 /nfs/dbraw/zinc/02/22/92/175022292.db2.gz KWMPFWARSJDPQN-HOTGVXAUSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCC1 ZINC000043354627 175022293 /nfs/dbraw/zinc/02/22/93/175022293.db2.gz KWMPFWARSJDPQN-HOTGVXAUSA-N 2 2 277.412 2.097 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](CCCO)C(C)C)o1 ZINC000043365167 175026118 /nfs/dbraw/zinc/02/61/18/175026118.db2.gz UXVOMDBAECHDIZ-JSGCOSHPSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](CCCO)C(C)C)o1 ZINC000043365167 175026120 /nfs/dbraw/zinc/02/61/20/175026120.db2.gz UXVOMDBAECHDIZ-JSGCOSHPSA-N 2 2 254.374 2.069 10 0 CEAELP C[NH2+][C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000043807128 175108387 /nfs/dbraw/zinc/10/83/87/175108387.db2.gz CULGMHHEXVTNIA-AWEZNQCLSA-N 2 2 276.380 2.204 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897816 175120300 /nfs/dbraw/zinc/12/03/00/175120300.db2.gz XMYCCVFHEJTVOC-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897816 175120302 /nfs/dbraw/zinc/12/03/02/175120302.db2.gz XMYCCVFHEJTVOC-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897805 175120608 /nfs/dbraw/zinc/12/06/08/175120608.db2.gz ODNBBMBJOQOGTE-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897805 175120610 /nfs/dbraw/zinc/12/06/10/175120610.db2.gz ODNBBMBJOQOGTE-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@@H]1CCCCC[C@H]1[NH+](CCOC)CCOC ZINC000043912901 175124169 /nfs/dbraw/zinc/12/41/69/175124169.db2.gz HMEYUYYFRXHLSC-HZPDHXFCSA-N 2 2 286.460 2.282 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916959 175125431 /nfs/dbraw/zinc/12/54/31/175125431.db2.gz IOAFOMBJAMQEEH-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916959 175125433 /nfs/dbraw/zinc/12/54/33/175125433.db2.gz IOAFOMBJAMQEEH-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966044 175127228 /nfs/dbraw/zinc/12/72/28/175127228.db2.gz NSCVOAMHKJVSIA-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966044 175127230 /nfs/dbraw/zinc/12/72/30/175127230.db2.gz NSCVOAMHKJVSIA-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCc1ccc([C@H](C[N@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969124 175130520 /nfs/dbraw/zinc/13/05/20/175130520.db2.gz FVNYPYOMGMPAPP-BBRMVZONSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@H](C[N@@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969124 175130521 /nfs/dbraw/zinc/13/05/21/175130521.db2.gz FVNYPYOMGMPAPP-BBRMVZONSA-N 2 2 264.413 2.476 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969880 175130901 /nfs/dbraw/zinc/13/09/01/175130901.db2.gz AZTOKYNMIONGAP-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969880 175130902 /nfs/dbraw/zinc/13/09/02/175130902.db2.gz AZTOKYNMIONGAP-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000658059727 415183018 /nfs/dbraw/zinc/18/30/18/415183018.db2.gz WTZHXXQYBVOIAA-REWJHTLYSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000658059727 415183023 /nfs/dbraw/zinc/18/30/23/415183023.db2.gz WTZHXXQYBVOIAA-REWJHTLYSA-N 2 2 266.429 2.262 10 0 CEAELP COC(C)(C)C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105603 175307656 /nfs/dbraw/zinc/30/76/56/175307656.db2.gz NKADBNZBHMLIFL-CYBMUJFWSA-N 2 2 253.390 2.457 10 0 CEAELP Nc1[nH+]c2ccccc2n1CCCCn1cc[nH+]c1 ZINC000045108604 175309035 /nfs/dbraw/zinc/30/90/35/175309035.db2.gz NBGGXCKYDKAZEK-UHFFFAOYSA-N 2 2 255.325 2.295 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000045135175 175312568 /nfs/dbraw/zinc/31/25/68/175312568.db2.gz GKOXRSKGYDRKDH-AWEZNQCLSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000045135175 175312569 /nfs/dbraw/zinc/31/25/69/175312569.db2.gz GKOXRSKGYDRKDH-AWEZNQCLSA-N 2 2 272.396 2.154 10 0 CEAELP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(=O)OC ZINC000045375270 175366711 /nfs/dbraw/zinc/36/67/11/175366711.db2.gz GEKHEKMEGWBSDE-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP Cc1ccc(-c2nc(N3CC[C@@H]([NH3+])C3)cc(C)[nH+]2)cc1 ZINC000045954475 175389131 /nfs/dbraw/zinc/38/91/31/175389131.db2.gz FOIHTRFQRFFQNZ-CQSZACIVSA-N 2 2 268.364 2.298 10 0 CEAELP CCCc1[nH+]ccn1CC[C@@](C)([NH2+]CC)C(=O)OCC ZINC000070425380 175921668 /nfs/dbraw/zinc/92/16/68/175921668.db2.gz GUPJEQYZHWYEKU-OAHLLOKOSA-N 2 2 281.400 2.157 10 0 CEAELP CCCc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145365 176042249 /nfs/dbraw/zinc/04/22/49/176042249.db2.gz VSXNMSXVLBPFOV-OAHLLOKOSA-N 2 2 289.423 2.119 10 0 CEAELP CCCc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071145365 176042250 /nfs/dbraw/zinc/04/22/50/176042250.db2.gz VSXNMSXVLBPFOV-OAHLLOKOSA-N 2 2 289.423 2.119 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000071161613 176046609 /nfs/dbraw/zinc/04/66/09/176046609.db2.gz QARDMHJSRKAIKG-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191320 176069326 /nfs/dbraw/zinc/06/93/26/176069326.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191320 176069328 /nfs/dbraw/zinc/06/93/28/176069328.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191320 176069329 /nfs/dbraw/zinc/06/93/29/176069329.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191320 176069330 /nfs/dbraw/zinc/06/93/30/176069330.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 3 2 281.488 2.284 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C ZINC000071191946 176072092 /nfs/dbraw/zinc/07/20/92/176072092.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C ZINC000071191946 176072094 /nfs/dbraw/zinc/07/20/94/176072094.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191946 176072096 /nfs/dbraw/zinc/07/20/96/176072096.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000071191946 176072097 /nfs/dbraw/zinc/07/20/97/176072097.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191827 176072868 /nfs/dbraw/zinc/07/28/68/176072868.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191827 176072869 /nfs/dbraw/zinc/07/28/69/176072869.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191827 176072871 /nfs/dbraw/zinc/07/28/71/176072871.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191827 176072873 /nfs/dbraw/zinc/07/28/73/176072873.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP Cn1cc[nH+]c1Cn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000071274555 176106045 /nfs/dbraw/zinc/10/60/45/176106045.db2.gz NUNYCEDIXJZHOJ-UHFFFAOYSA-N 2 2 261.716 2.054 10 0 CEAELP CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342524 176130547 /nfs/dbraw/zinc/13/05/47/176130547.db2.gz MLJBLLZFAFQSGL-CABCVRRESA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342524 176130549 /nfs/dbraw/zinc/13/05/49/176130549.db2.gz MLJBLLZFAFQSGL-CABCVRRESA-N 2 2 278.444 2.372 10 0 CEAELP CC(C)C[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C2CC2)C[NH2+]1 ZINC000071351107 176134434 /nfs/dbraw/zinc/13/44/34/176134434.db2.gz PVLUUKVXGPQJRJ-SJORKVTESA-N 2 2 290.455 2.372 10 0 CEAELP Cc1[nH+]ccn1CCN1CC2(CCCC2)[NH2+]C[C@H]1C(C)C ZINC000071358501 176137880 /nfs/dbraw/zinc/13/78/80/176137880.db2.gz GPCKNSGQDNSXCR-INIZCTEOSA-N 2 2 290.455 2.434 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071359342 176137950 /nfs/dbraw/zinc/13/79/50/176137950.db2.gz ZHIBZVBQRPTWII-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CC1CCOCC1 ZINC000071359342 176137952 /nfs/dbraw/zinc/13/79/52/176137952.db2.gz ZHIBZVBQRPTWII-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071358364 176137988 /nfs/dbraw/zinc/13/79/88/176137988.db2.gz FXTVWZXPRYQDGZ-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000071358364 176137990 /nfs/dbraw/zinc/13/79/90/176137990.db2.gz FXTVWZXPRYQDGZ-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP Cc1ccc(Br)cc1[C@H](C[NH3+])[NH+](C)C ZINC000076306668 176977168 /nfs/dbraw/zinc/97/71/68/176977168.db2.gz HMCYPUHZRPSDCM-NSHDSACASA-N 2 2 257.175 2.319 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579879 276230593 /nfs/dbraw/zinc/23/05/93/276230593.db2.gz QADFZTBHPPAZQC-XJKSGUPXSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579879 276230595 /nfs/dbraw/zinc/23/05/95/276230595.db2.gz QADFZTBHPPAZQC-XJKSGUPXSA-N 2 2 260.381 2.453 10 0 CEAELP Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000250959239 301334739 /nfs/dbraw/zinc/33/47/39/301334739.db2.gz GCBQHURFXAKZRD-DGCLKSJQSA-N 2 2 262.401 2.472 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503880 519725792 /nfs/dbraw/zinc/72/57/92/519725792.db2.gz WQNRZYWCKCSSHS-ZIAGYGMSSA-N 2 2 283.441 2.121 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503880 519725794 /nfs/dbraw/zinc/72/57/94/519725794.db2.gz WQNRZYWCKCSSHS-ZIAGYGMSSA-N 2 2 283.441 2.121 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1C)C(=O)OCC ZINC000068648825 520044962 /nfs/dbraw/zinc/04/49/62/520044962.db2.gz JTHXQPOYCJFWSE-DOMZBBRYSA-N 2 2 281.400 2.464 10 0 CEAELP CC(C)(C)[NH2+]Cc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000052516437 518764748 /nfs/dbraw/zinc/76/47/48/518764748.db2.gz HEBRAZPNCSDTNF-UHFFFAOYSA-N 2 2 294.464 2.139 10 0 CEAELP CC(C)C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068692968 519271196 /nfs/dbraw/zinc/27/11/96/519271196.db2.gz JTNPPTYTBUAGAY-CQSZACIVSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)=CC[NH+]1CCC([NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049554235 519427311 /nfs/dbraw/zinc/42/73/11/519427311.db2.gz AOZNTAHYOAKSDY-OAHLLOKOSA-N 3 2 267.461 2.347 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049204491 519793594 /nfs/dbraw/zinc/79/35/94/519793594.db2.gz APJRGBGQILYSGF-HUUCEWRRSA-N 2 2 268.376 2.035 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)N[C@H](c1ccco1)c1[nH+]ccn1C ZINC000049198438 519793939 /nfs/dbraw/zinc/79/39/39/519793939.db2.gz KOLSFXXTTVXLOA-UKRRQHHQSA-N 2 2 290.411 2.278 10 0 CEAELP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccs1 ZINC000068802618 519799170 /nfs/dbraw/zinc/79/91/70/519799170.db2.gz BNADLJDSOZRPGB-UKRRQHHQSA-N 2 2 281.469 2.281 10 0 CEAELP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccs1 ZINC000068802618 519799171 /nfs/dbraw/zinc/79/91/71/519799171.db2.gz BNADLJDSOZRPGB-UKRRQHHQSA-N 2 2 281.469 2.281 10 0 CEAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374745 519927899 /nfs/dbraw/zinc/92/78/99/519927899.db2.gz HFYANJTWIMRZRU-AWEZNQCLSA-N 2 2 279.403 2.336 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC[C@H]2CC)c(C)o1 ZINC000052481629 519991126 /nfs/dbraw/zinc/99/11/26/519991126.db2.gz DHQPUXVYUPGRCO-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC[C@H]2CC)c(C)o1 ZINC000052481629 519991132 /nfs/dbraw/zinc/99/11/32/519991132.db2.gz DHQPUXVYUPGRCO-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(=O)OC ZINC000068648647 520146817 /nfs/dbraw/zinc/14/68/17/520146817.db2.gz NZPANKHBPZUHRA-WFASDCNBSA-N 2 2 281.400 2.499 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912270 520227161 /nfs/dbraw/zinc/22/71/61/520227161.db2.gz JTGBWSQBPVAMBT-QGZVFWFLSA-N 2 2 290.407 2.324 10 0 CEAELP CC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(=O)OC ZINC000068648645 520238078 /nfs/dbraw/zinc/23/80/78/520238078.db2.gz NZPANKHBPZUHRA-IUODEOHRSA-N 2 2 281.400 2.499 10 0 CEAELP CCO[C@@H]1CCC[N@@H+]([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372337 520320612 /nfs/dbraw/zinc/32/06/12/520320612.db2.gz NNUYRFYIBJXRQN-CVEARBPZSA-N 2 2 262.397 2.448 10 0 CEAELP CCO[C@@H]1CCC[N@H+]([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372337 520320622 /nfs/dbraw/zinc/32/06/22/520320622.db2.gz NNUYRFYIBJXRQN-CVEARBPZSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052544067 521564959 /nfs/dbraw/zinc/56/49/59/521564959.db2.gz UAGODYMSEMGTFM-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052544067 521564967 /nfs/dbraw/zinc/56/49/67/521564967.db2.gz UAGODYMSEMGTFM-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCOC)C1CC1 ZINC000052203772 521929889 /nfs/dbraw/zinc/92/98/89/521929889.db2.gz NWBZCDIEOHZWBV-MRXNPFEDSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000052203772 521929894 /nfs/dbraw/zinc/92/98/94/521929894.db2.gz NWBZCDIEOHZWBV-MRXNPFEDSA-N 2 2 262.397 2.360 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(OC)c1 ZINC000062803045 522337434 /nfs/dbraw/zinc/33/74/34/522337434.db2.gz RXNOQQZMERFXFO-ZDUSSCGKSA-N 2 2 259.353 2.220 10 0 CEAELP COc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000156177017 522376989 /nfs/dbraw/zinc/37/69/89/522376989.db2.gz DIOHDRKBGIKJHZ-LLVKDONJSA-N 2 2 286.322 2.220 10 0 CEAELP COc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1OC(F)F ZINC000156177017 522377002 /nfs/dbraw/zinc/37/70/02/522377002.db2.gz DIOHDRKBGIKJHZ-LLVKDONJSA-N 2 2 286.322 2.220 10 0 CEAELP CCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000068649434 522589194 /nfs/dbraw/zinc/58/91/94/522589194.db2.gz TZCHNGFFMODYAA-WFASDCNBSA-N 2 2 281.400 2.326 10 0 CEAELP CC[C@H]1COCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052481488 523334817 /nfs/dbraw/zinc/33/48/17/523334817.db2.gz KAPWUHVIVZMOOS-AWEZNQCLSA-N 2 2 264.369 2.142 10 0 CEAELP CC[C@H]1COCC[N@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052481488 523334824 /nfs/dbraw/zinc/33/48/24/523334824.db2.gz KAPWUHVIVZMOOS-AWEZNQCLSA-N 2 2 264.369 2.142 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883320 523418709 /nfs/dbraw/zinc/41/87/09/523418709.db2.gz WBWPVMMFGZYVMS-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883320 523418713 /nfs/dbraw/zinc/41/87/13/523418713.db2.gz WBWPVMMFGZYVMS-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([NH+]2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000068628375 524428956 /nfs/dbraw/zinc/42/89/56/524428956.db2.gz WCYWLBQWWHPOJA-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000068630479 524631297 /nfs/dbraw/zinc/63/12/97/524631297.db2.gz WBPRTLFCSJSXGC-BFQNTYOBSA-N 2 2 283.460 2.127 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000068630479 524631308 /nfs/dbraw/zinc/63/13/08/524631308.db2.gz WBPRTLFCSJSXGC-BFQNTYOBSA-N 2 2 283.460 2.127 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3ncccc3c2)CCCO1 ZINC000069502778 524663039 /nfs/dbraw/zinc/66/30/39/524663039.db2.gz ZLMBILIOHZQONM-GUYCJALGSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3ncccc3c2)CCCO1 ZINC000069502778 524663046 /nfs/dbraw/zinc/66/30/46/524663046.db2.gz ZLMBILIOHZQONM-GUYCJALGSA-N 2 2 285.391 2.345 10 0 CEAELP Cc1cc(C[NH+]2CCOCC2)oc1C[NH2+]C(C)(C)C ZINC000052378037 524699863 /nfs/dbraw/zinc/69/98/63/524699863.db2.gz ZLMLFDZAMFPNJO-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)oc1C[NH3+] ZINC000052543525 524716496 /nfs/dbraw/zinc/71/64/96/524716496.db2.gz MMLAYXRAQDKQMN-NSHDSACASA-N 2 2 252.358 2.046 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)oc1C[NH3+] ZINC000052543525 524716505 /nfs/dbraw/zinc/71/65/05/524716505.db2.gz MMLAYXRAQDKQMN-NSHDSACASA-N 2 2 252.358 2.046 10 0 CEAELP Cc1cccc([C@H]2[C@H](C[NH3+])OCC[N@H+]2C(C)C)c1C ZINC000070288513 524900853 /nfs/dbraw/zinc/90/08/53/524900853.db2.gz ANLOQTNFBJGVDP-HOTGVXAUSA-N 2 2 262.397 2.412 10 0 CEAELP Cc1cccc([C@H]2[C@H](C[NH3+])OCC[N@@H+]2C(C)C)c1C ZINC000070288513 524900863 /nfs/dbraw/zinc/90/08/63/524900863.db2.gz ANLOQTNFBJGVDP-HOTGVXAUSA-N 2 2 262.397 2.412 10 0 CEAELP C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052475831 525126364 /nfs/dbraw/zinc/12/63/64/525126364.db2.gz USBYRBQOJJZASN-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052475831 525126372 /nfs/dbraw/zinc/12/63/72/525126372.db2.gz USBYRBQOJJZASN-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000054765149 525155496 /nfs/dbraw/zinc/15/54/96/525155496.db2.gz ZCSWAZYBJRPQMN-SNVBAGLBSA-N 2 2 261.325 2.278 10 0 CEAELP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H]3C)ccc2n1 ZINC000261579090 628941815 /nfs/dbraw/zinc/94/18/15/628941815.db2.gz DNONNLKSCZEPGE-IUODEOHRSA-N 2 2 255.365 2.465 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H]3C)ccc2n1 ZINC000261579090 628941820 /nfs/dbraw/zinc/94/18/20/628941820.db2.gz DNONNLKSCZEPGE-IUODEOHRSA-N 2 2 255.365 2.465 10 0 CEAELP CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000261745791 629179457 /nfs/dbraw/zinc/17/94/57/629179457.db2.gz BTPAAVZXWYOHKT-NSHDSACASA-N 2 2 290.333 2.393 10 0 CEAELP CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000261745791 629179462 /nfs/dbraw/zinc/17/94/62/629179462.db2.gz BTPAAVZXWYOHKT-NSHDSACASA-N 2 2 290.333 2.393 10 0 CEAELP [NH3+][C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000041029557 539033088 /nfs/dbraw/zinc/03/30/88/539033088.db2.gz FNHJUMVQACAMPG-LBPRGKRZSA-N 2 2 254.374 2.341 10 0 CEAELP [NH3+][C@H]1CCC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000041029557 539033090 /nfs/dbraw/zinc/03/30/90/539033090.db2.gz FNHJUMVQACAMPG-LBPRGKRZSA-N 2 2 254.374 2.341 10 0 CEAELP C[C@@H]([NH2+]CC[NH2+][C@H](C)c1ccncc1)c1ccncc1 ZINC000019367988 343374560 /nfs/dbraw/zinc/37/45/60/343374560.db2.gz BFOGSPSCGNNNHA-ZIAGYGMSSA-N 2 2 270.380 2.478 10 0 CEAELP c1[nH]c2nc[nH+]cc2c1-c1cccc(C2=CC[NH2+]CC2)n1 ZINC000035281806 343421914 /nfs/dbraw/zinc/42/19/14/343421914.db2.gz BHEZPSQBKDMCKG-UHFFFAOYSA-N 2 2 277.331 2.397 10 0 CEAELP [NH3+]CCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000038295535 343434312 /nfs/dbraw/zinc/43/43/12/343434312.db2.gz PLJDJHOUYPGFDS-UHFFFAOYSA-N 2 2 288.222 2.464 10 0 CEAELP CC(C)c1nnc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000328635555 344757300 /nfs/dbraw/zinc/75/73/00/344757300.db2.gz NKIWWDHVQNJOMF-LBPRGKRZSA-N 2 2 289.383 2.084 10 0 CEAELP CC(C)c1nnc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000328635555 344757301 /nfs/dbraw/zinc/75/73/01/344757301.db2.gz NKIWWDHVQNJOMF-LBPRGKRZSA-N 2 2 289.383 2.084 10 0 CEAELP [NH3+]CCc1cn(Cc2ccccc2Br)c[nH+]1 ZINC000084197683 178822527 /nfs/dbraw/zinc/82/25/27/178822527.db2.gz DTIWMHUEBVPTBH-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP CC[NH2+][C@](C)(CO)C[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000085210838 178973296 /nfs/dbraw/zinc/97/32/96/178973296.db2.gz ARTNUWMHQVMQRH-BBRMVZONSA-N 2 2 262.397 2.141 10 0 CEAELP COCCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468311 179073276 /nfs/dbraw/zinc/07/32/76/179073276.db2.gz BYWAMEFATSGFRH-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP COCCC[N@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468311 179073277 /nfs/dbraw/zinc/07/32/77/179073277.db2.gz BYWAMEFATSGFRH-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085512947 179086671 /nfs/dbraw/zinc/08/66/71/179086671.db2.gz LYYYWQIWUDRRSJ-NWANDNLSSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCOC ZINC000085512947 179086673 /nfs/dbraw/zinc/08/66/73/179086673.db2.gz LYYYWQIWUDRRSJ-NWANDNLSSA-N 2 2 254.418 2.121 10 0 CEAELP COCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515875 179087857 /nfs/dbraw/zinc/08/78/57/179087857.db2.gz JHGCRZWZMPZYNG-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515875 179087858 /nfs/dbraw/zinc/08/78/58/179087858.db2.gz JHGCRZWZMPZYNG-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497845 179083680 /nfs/dbraw/zinc/08/36/80/179083680.db2.gz NKNWUTSISQTEGO-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085497845 179083682 /nfs/dbraw/zinc/08/36/82/179083682.db2.gz NKNWUTSISQTEGO-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085525765 179089578 /nfs/dbraw/zinc/08/95/78/179089578.db2.gz ARAOPLOYGNMAEX-IRXDYDNUSA-N 2 2 290.455 2.290 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085528187 179090705 /nfs/dbraw/zinc/09/07/05/179090705.db2.gz NWEAVQMYAXQLIE-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529298 179091221 /nfs/dbraw/zinc/09/12/21/179091221.db2.gz AVEKUVZZOBNIMA-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529298 179091223 /nfs/dbraw/zinc/09/12/23/179091223.db2.gz AVEKUVZZOBNIMA-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573547 179099134 /nfs/dbraw/zinc/09/91/34/179099134.db2.gz VCRWRBBPSGUIFR-LBPRGKRZSA-N 2 2 287.411 2.284 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609102 179101999 /nfs/dbraw/zinc/10/19/99/179101999.db2.gz ARAHLUVEVXNLAT-RYUDHWBXSA-N 2 2 282.350 2.275 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609102 179102001 /nfs/dbraw/zinc/10/20/01/179102001.db2.gz ARAHLUVEVXNLAT-RYUDHWBXSA-N 2 2 282.350 2.275 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCOCC(F)(F)F ZINC000085622480 179105877 /nfs/dbraw/zinc/10/58/77/179105877.db2.gz JZHLAHOYOUEWHX-SNVBAGLBSA-N 2 2 268.323 2.028 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1CCOCC(F)(F)F ZINC000085622480 179105880 /nfs/dbraw/zinc/10/58/80/179105880.db2.gz JZHLAHOYOUEWHX-SNVBAGLBSA-N 2 2 268.323 2.028 10 0 CEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085671149 179111253 /nfs/dbraw/zinc/11/12/53/179111253.db2.gz OWBGVOAHYLTHLZ-AVGNSLFASA-N 2 2 254.418 2.120 10 0 CEAELP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086073608 179225269 /nfs/dbraw/zinc/22/52/69/179225269.db2.gz VRDNWMCIPCIXQZ-WZRBSPASSA-N 2 2 250.390 2.010 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[N@H+](C)Cc1scnc1C ZINC000086120829 179234558 /nfs/dbraw/zinc/23/45/58/179234558.db2.gz XHZZUIXMIBKHGN-ZDUSSCGKSA-N 2 2 253.415 2.401 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[N@@H+](C)Cc1scnc1C ZINC000086120829 179234561 /nfs/dbraw/zinc/23/45/61/179234561.db2.gz XHZZUIXMIBKHGN-ZDUSSCGKSA-N 2 2 253.415 2.401 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1[C@@H](C)COC ZINC000086179961 179246900 /nfs/dbraw/zinc/24/69/00/179246900.db2.gz KIQXXLWJRUAZIA-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1[C@@H](C)COC ZINC000086179961 179246902 /nfs/dbraw/zinc/24/69/02/179246902.db2.gz KIQXXLWJRUAZIA-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264844 179260820 /nfs/dbraw/zinc/26/08/20/179260820.db2.gz DKCDAJMDKZQBFE-JKSUJKDBSA-N 2 2 284.407 2.345 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1Cc1[nH+]ccn1C ZINC000086264879 179261332 /nfs/dbraw/zinc/26/13/32/179261332.db2.gz HUULTARFJNKPAN-ZIAGYGMSSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@@H](COC)[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1CC ZINC000086267442 179261926 /nfs/dbraw/zinc/26/19/26/179261926.db2.gz WWMHPSXVHFNYEE-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H](COC)[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1CC ZINC000086267442 179261929 /nfs/dbraw/zinc/26/19/29/179261929.db2.gz WWMHPSXVHFNYEE-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259026 179257182 /nfs/dbraw/zinc/25/71/82/179257182.db2.gz FVWWWXMTTKHTNE-HNNXBMFYSA-N 3 2 279.472 2.325 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259026 179257184 /nfs/dbraw/zinc/25/71/84/179257184.db2.gz FVWWWXMTTKHTNE-HNNXBMFYSA-N 3 2 279.472 2.325 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)on1 ZINC000086292729 179266949 /nfs/dbraw/zinc/26/69/49/179266949.db2.gz IIMOTOUTHSDULN-ZDUSSCGKSA-N 2 2 251.374 2.193 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)on1 ZINC000086292729 179266952 /nfs/dbraw/zinc/26/69/52/179266952.db2.gz IIMOTOUTHSDULN-ZDUSSCGKSA-N 2 2 251.374 2.193 10 0 CEAELP CSC[C@@H](C)C[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086298542 179268918 /nfs/dbraw/zinc/26/89/18/179268918.db2.gz HGPGXELTGTXERP-GXTWGEPZSA-N 2 2 256.459 2.450 10 0 CEAELP CSC[C@@H](C)C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086298542 179268919 /nfs/dbraw/zinc/26/89/19/179268919.db2.gz HGPGXELTGTXERP-GXTWGEPZSA-N 2 2 256.459 2.450 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000086843672 179352512 /nfs/dbraw/zinc/35/25/12/179352512.db2.gz RPRUEDGXKOCLKR-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000086843672 179352513 /nfs/dbraw/zinc/35/25/13/179352513.db2.gz RPRUEDGXKOCLKR-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840406 179353194 /nfs/dbraw/zinc/35/31/94/179353194.db2.gz XLYTZSAKQHCDFO-UONOGXRCSA-N 2 2 291.443 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840406 179353196 /nfs/dbraw/zinc/35/31/96/179353196.db2.gz XLYTZSAKQHCDFO-UONOGXRCSA-N 2 2 291.443 2.139 10 0 CEAELP C[N@H+](Cc1ccsc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874937 179364717 /nfs/dbraw/zinc/36/47/17/179364717.db2.gz WJQQGWSZYKHEBW-ZDUSSCGKSA-N 2 2 254.399 2.078 10 0 CEAELP C[N@@H+](Cc1ccsc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874937 179364718 /nfs/dbraw/zinc/36/47/18/179364718.db2.gz WJQQGWSZYKHEBW-ZDUSSCGKSA-N 2 2 254.399 2.078 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891001 179366113 /nfs/dbraw/zinc/36/61/13/179366113.db2.gz ZDGATUOGTVJJNU-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891001 179366114 /nfs/dbraw/zinc/36/61/14/179366114.db2.gz ZDGATUOGTVJJNU-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cncc3ccccc32)C1 ZINC000616609316 348533287 /nfs/dbraw/zinc/53/32/87/348533287.db2.gz QALYFYZIGRNQKP-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cncc3ccccc32)C1 ZINC000616609316 348533291 /nfs/dbraw/zinc/53/32/91/348533291.db2.gz QALYFYZIGRNQKP-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616621139 348537413 /nfs/dbraw/zinc/53/74/13/348537413.db2.gz PFCFRLRCSBXMGI-CYBMUJFWSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616621139 348537415 /nfs/dbraw/zinc/53/74/15/348537415.db2.gz PFCFRLRCSBXMGI-CYBMUJFWSA-N 2 2 276.380 2.001 10 0 CEAELP Nc1ccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616663646 348553549 /nfs/dbraw/zinc/55/35/49/348553549.db2.gz VQESZDZGXOIFEV-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1ccc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616663646 348553554 /nfs/dbraw/zinc/55/35/54/348553554.db2.gz VQESZDZGXOIFEV-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000090695701 180026448 /nfs/dbraw/zinc/02/64/48/180026448.db2.gz HRIQQSVDTSLNPG-KOLCDFICSA-N 2 2 250.308 2.259 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874396 180049713 /nfs/dbraw/zinc/04/97/13/180049713.db2.gz MMMXMLVIMGSOSF-DZGCQCFKSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+]C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878918 180053229 /nfs/dbraw/zinc/05/32/29/180053229.db2.gz KNSMPQWMRNVULW-HNNXBMFYSA-N 2 2 278.371 2.203 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+]CC[NH+]1CCCCC1)O2 ZINC000090897761 180057245 /nfs/dbraw/zinc/05/72/45/180057245.db2.gz LZFWUWHXLNCFJE-INIZCTEOSA-N 2 2 274.408 2.374 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000090907537 180062043 /nfs/dbraw/zinc/06/20/43/180062043.db2.gz YTYGLVQFQZINLC-GASCZTMLSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCOCC1 ZINC000090907537 180062045 /nfs/dbraw/zinc/06/20/45/180062045.db2.gz YTYGLVQFQZINLC-GASCZTMLSA-N 2 2 296.455 2.035 10 0 CEAELP C[NH2+]Cc1cn(Cc2[nH+]ccn2C)c2ccccc12 ZINC000090995286 180082650 /nfs/dbraw/zinc/08/26/50/180082650.db2.gz ORZKSYZQKVFVDB-UHFFFAOYSA-N 2 2 254.337 2.143 10 0 CEAELP CCn1cc[nH+]c1Cn1cc(C[NH3+])c2ccccc21 ZINC000090995019 180082762 /nfs/dbraw/zinc/08/27/62/180082762.db2.gz LXPLLKDLLNWCCC-UHFFFAOYSA-N 2 2 254.337 2.365 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017682 180086869 /nfs/dbraw/zinc/08/68/69/180086869.db2.gz LHMMDLRCWOTYOC-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017682 180086870 /nfs/dbraw/zinc/08/68/70/180086870.db2.gz LHMMDLRCWOTYOC-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321244 180134541 /nfs/dbraw/zinc/13/45/41/180134541.db2.gz JUQOLWNQCOTFSU-GFCCVEGCSA-N 2 2 297.468 2.202 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321244 180134542 /nfs/dbraw/zinc/13/45/42/180134542.db2.gz JUQOLWNQCOTFSU-GFCCVEGCSA-N 2 2 297.468 2.202 10 0 CEAELP CCCC1CC[NH+]([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321534 180134704 /nfs/dbraw/zinc/13/47/04/180134704.db2.gz AWKNDBFWTNIOPB-CQSZACIVSA-N 2 2 283.460 2.131 10 0 CEAELP c1coc(C[N@@H+](CC[C@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292168 180123635 /nfs/dbraw/zinc/12/36/35/180123635.db2.gz HFHXZFBJYAEKRX-LBPRGKRZSA-N 2 2 266.410 2.339 10 0 CEAELP c1coc(C[N@H+](CC[C@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292168 180123637 /nfs/dbraw/zinc/12/36/37/180123637.db2.gz HFHXZFBJYAEKRX-LBPRGKRZSA-N 2 2 266.410 2.339 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000091402621 180146897 /nfs/dbraw/zinc/14/68/97/180146897.db2.gz IVCVADATOZLJIA-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000091402621 180146898 /nfs/dbraw/zinc/14/68/98/180146898.db2.gz IVCVADATOZLJIA-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000091402617 180147421 /nfs/dbraw/zinc/14/74/21/180147421.db2.gz GDPQNNMOHHRMMR-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000091402617 180147423 /nfs/dbraw/zinc/14/74/23/180147423.db2.gz GDPQNNMOHHRMMR-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CC(C)([C@@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091568002 180194566 /nfs/dbraw/zinc/19/45/66/180194566.db2.gz QOICDHSIIDSHQL-HNNXBMFYSA-N 2 2 276.428 2.188 10 0 CEAELP CC(C)([C@@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCCC1 ZINC000091568002 180194567 /nfs/dbraw/zinc/19/45/67/180194567.db2.gz QOICDHSIIDSHQL-HNNXBMFYSA-N 2 2 276.428 2.188 10 0 CEAELP CC[NH+](CC)C(C)(C)[C@@H](O)c1c(C)cc[nH+]c1N ZINC000091529883 180180381 /nfs/dbraw/zinc/18/03/81/180180381.db2.gz XVRGJPJJBSMDTN-LBPRGKRZSA-N 2 2 251.374 2.126 10 0 CEAELP C[NH2+][C@H](c1cncc(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000091534836 180182204 /nfs/dbraw/zinc/18/22/04/180182204.db2.gz RJZUMIYGBNWGDN-CYBMUJFWSA-N 2 2 251.349 2.356 10 0 CEAELP CN[C@@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCCCC1 ZINC000091654426 180217411 /nfs/dbraw/zinc/21/74/11/180217411.db2.gz XSAOEHGFTGSASR-INIZCTEOSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)C[NH+](C)C ZINC000091719750 180234335 /nfs/dbraw/zinc/23/43/35/180234335.db2.gz WDBAKDMNAPPUDS-AWEZNQCLSA-N 2 2 264.417 2.080 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000091719674 180234570 /nfs/dbraw/zinc/23/45/70/180234570.db2.gz BFBGSUYLBFWOEA-NSHDSACASA-N 2 2 276.302 2.277 10 0 CEAELP COc1ccc(Cl)cc1[C@H]([NH3+])[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720661 180236435 /nfs/dbraw/zinc/23/64/35/180236435.db2.gz PJSWCSRBIQTXPM-UGFHNGPFSA-N 2 2 296.798 2.212 10 0 CEAELP COc1ccc(Cl)cc1[C@H]([NH3+])[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720661 180236437 /nfs/dbraw/zinc/23/64/37/180236437.db2.gz PJSWCSRBIQTXPM-UGFHNGPFSA-N 2 2 296.798 2.212 10 0 CEAELP [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720522 180236613 /nfs/dbraw/zinc/23/66/13/180236613.db2.gz WYRGCTZFBUCEOH-HZSPNIEDSA-N 2 2 266.772 2.203 10 0 CEAELP [NH3+][C@H](c1cccc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720522 180236615 /nfs/dbraw/zinc/23/66/15/180236615.db2.gz WYRGCTZFBUCEOH-HZSPNIEDSA-N 2 2 266.772 2.203 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc(F)ccc1F)C[NH+](C)C ZINC000091720016 180236664 /nfs/dbraw/zinc/23/66/64/180236664.db2.gz SKNADLDETODVFL-ZDUSSCGKSA-N 2 2 256.340 2.437 10 0 CEAELP CCCC1CCC(C[NH3+])([C@H](O)c2c[nH+]cn2C)CC1 ZINC000091926059 180287628 /nfs/dbraw/zinc/28/76/28/180287628.db2.gz OTHQUFZSKYCCEC-HNFVBEJKSA-N 2 2 265.401 2.389 10 0 CEAELP CCN(C[C@@H]1C[N@H+](CC)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092051567 180312678 /nfs/dbraw/zinc/31/26/78/180312678.db2.gz PHDILQDKWXYKSO-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP CCN(C[C@@H]1C[N@@H+](CC)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092051567 180312679 /nfs/dbraw/zinc/31/26/79/180312679.db2.gz PHDILQDKWXYKSO-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP CCCN(C[C@@H]1C[N@H+](C)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092054903 180313812 /nfs/dbraw/zinc/31/38/12/180313812.db2.gz JNYGTPURVQYGBI-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP CCCN(C[C@@H]1C[N@@H+](C)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092054903 180313815 /nfs/dbraw/zinc/31/38/15/180313815.db2.gz JNYGTPURVQYGBI-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC000091994161 180301014 /nfs/dbraw/zinc/30/10/14/180301014.db2.gz ZJHBQIVWUYZJRG-TZMCWYRMSA-N 2 2 272.352 2.176 10 0 CEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092083609 180320352 /nfs/dbraw/zinc/32/03/52/180320352.db2.gz JZSOABACIKELBI-JMSVASOKSA-N 2 2 260.381 2.209 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307404 180360511 /nfs/dbraw/zinc/36/05/11/180360511.db2.gz OYUKBJORPBVREE-HOCLYGCPSA-N 2 2 272.392 2.237 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307404 180360513 /nfs/dbraw/zinc/36/05/13/180360513.db2.gz OYUKBJORPBVREE-HOCLYGCPSA-N 2 2 272.392 2.237 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1COc2ccccc21 ZINC000092306326 180360601 /nfs/dbraw/zinc/36/06/01/180360601.db2.gz MOIAXUDKQUKWGG-OLZOCXBDSA-N 2 2 271.364 2.339 10 0 CEAELP COCC[NH2+]CC[N@H+](C)Cc1cc(C)nc2ccccc12 ZINC000092348438 180367021 /nfs/dbraw/zinc/36/70/21/180367021.db2.gz UFASSZWYBNMCTB-UHFFFAOYSA-N 2 2 287.407 2.211 10 0 CEAELP COCC[NH2+]CC[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC000092348438 180367022 /nfs/dbraw/zinc/36/70/22/180367022.db2.gz UFASSZWYBNMCTB-UHFFFAOYSA-N 2 2 287.407 2.211 10 0 CEAELP CC[C@@H](C)[NH+]1CCN(Cc2cccc(NC)[nH+]2)CC1 ZINC000092370245 180369789 /nfs/dbraw/zinc/36/97/89/180369789.db2.gz KODNRBDDFHPYIQ-CYBMUJFWSA-N 2 2 262.401 2.039 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394074 180376695 /nfs/dbraw/zinc/37/66/95/180376695.db2.gz MEDBDWSNHPDNTF-MRXNPFEDSA-N 2 2 273.380 2.287 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000092419284 180381937 /nfs/dbraw/zinc/38/19/37/180381937.db2.gz STZRZZMVWAVCLK-NSHDSACASA-N 2 2 251.399 2.451 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCSC[C@@H]2C)c1 ZINC000092419284 180381938 /nfs/dbraw/zinc/38/19/38/180381938.db2.gz STZRZZMVWAVCLK-NSHDSACASA-N 2 2 251.399 2.451 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([NH+]1CCCC1)CCC2 ZINC000092384533 180373547 /nfs/dbraw/zinc/37/35/47/180373547.db2.gz RSBSRIXDRFCESQ-MRXNPFEDSA-N 2 2 260.381 2.281 10 0 CEAELP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)c1 ZINC000108272536 186210086 /nfs/dbraw/zinc/21/00/86/186210086.db2.gz UEGLEDPCAGEOKB-QGZVFWFLSA-N 2 2 297.402 2.073 10 0 CEAELP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604566 186268094 /nfs/dbraw/zinc/26/80/94/186268094.db2.gz VJVKVTVTJJGPIX-LSDHHAIUSA-N 2 2 276.380 2.104 10 0 CEAELP CCOC(=O)[C@H]1CCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604566 186268095 /nfs/dbraw/zinc/26/80/95/186268095.db2.gz VJVKVTVTJJGPIX-LSDHHAIUSA-N 2 2 276.380 2.104 10 0 CEAELP C[N@H+](CCOc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931281 186333437 /nfs/dbraw/zinc/33/34/37/186333437.db2.gz DVFIIGXULOUUJI-LBPRGKRZSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931281 186333438 /nfs/dbraw/zinc/33/34/38/186333438.db2.gz DVFIIGXULOUUJI-LBPRGKRZSA-N 2 2 268.788 2.403 10 0 CEAELP C[C@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCN1C ZINC000110751543 186321986 /nfs/dbraw/zinc/32/19/86/186321986.db2.gz UWWVNWJJJDSMEX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCN1C ZINC000110751543 186321987 /nfs/dbraw/zinc/32/19/87/186321987.db2.gz UWWVNWJJJDSMEX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154763 186360371 /nfs/dbraw/zinc/36/03/71/186360371.db2.gz SAVUHVVVUWZXHK-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154763 186360372 /nfs/dbraw/zinc/36/03/72/186360372.db2.gz SAVUHVVVUWZXHK-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160980 186361511 /nfs/dbraw/zinc/36/15/11/186361511.db2.gz ULNOWCDWQLAUEB-RRFJBIMHSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160980 186361512 /nfs/dbraw/zinc/36/15/12/186361512.db2.gz ULNOWCDWQLAUEB-RRFJBIMHSA-N 2 2 254.418 2.266 10 0 CEAELP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@H+](C)CCC[NH+](C)C ZINC000111136418 186357403 /nfs/dbraw/zinc/35/74/03/186357403.db2.gz XRBYAMPJWMICCM-CQSZACIVSA-N 3 2 293.455 2.489 10 0 CEAELP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111136418 186357404 /nfs/dbraw/zinc/35/74/04/186357404.db2.gz XRBYAMPJWMICCM-CQSZACIVSA-N 3 2 293.455 2.489 10 0 CEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCOc2ccccc21 ZINC000111185788 186366414 /nfs/dbraw/zinc/36/64/14/186366414.db2.gz ICQLURAGXNYEKM-TZMCWYRMSA-N 2 2 271.364 2.497 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)[nH+]1 ZINC000111213000 186370884 /nfs/dbraw/zinc/37/08/84/186370884.db2.gz OYTCHLHJFOHTSI-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)[nH+]1 ZINC000111213000 186370885 /nfs/dbraw/zinc/37/08/85/186370885.db2.gz OYTCHLHJFOHTSI-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP C[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000111244049 186375793 /nfs/dbraw/zinc/37/57/93/186375793.db2.gz KDNFSGTTXRJWGA-KRWDZBQOSA-N 2 2 285.391 2.428 10 0 CEAELP Cc1[nH]c(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)[nH+]c1C ZINC000628180234 350993584 /nfs/dbraw/zinc/99/35/84/350993584.db2.gz HHADIHGZJMYIJZ-FZMZJTMJSA-N 2 2 262.401 2.085 10 0 CEAELP Cc1[nH]c(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)[nH+]c1C ZINC000628180234 350993585 /nfs/dbraw/zinc/99/35/85/350993585.db2.gz HHADIHGZJMYIJZ-FZMZJTMJSA-N 2 2 262.401 2.085 10 0 CEAELP Cc1cc(NCC2CC[NH2+]CC2)nc(-c2ccncc2)[nH+]1 ZINC000070456016 363085310 /nfs/dbraw/zinc/08/53/10/363085310.db2.gz SWWWACPMQSMPHP-UHFFFAOYSA-N 2 2 283.379 2.259 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000165910181 540327521 /nfs/dbraw/zinc/32/75/21/540327521.db2.gz AWLQMQYJQFGXTB-QGZVFWFLSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000165910181 540327524 /nfs/dbraw/zinc/32/75/24/540327524.db2.gz AWLQMQYJQFGXTB-QGZVFWFLSA-N 2 2 274.408 2.374 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135127191 366399588 /nfs/dbraw/zinc/39/95/88/366399588.db2.gz QLEAABMEXOQKAQ-GFCCVEGCSA-N 2 2 262.382 2.313 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954142 540649315 /nfs/dbraw/zinc/64/93/15/540649315.db2.gz LMAHXKFIGJWOKP-BBRMVZONSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954142 540649320 /nfs/dbraw/zinc/64/93/20/540649320.db2.gz LMAHXKFIGJWOKP-BBRMVZONSA-N 2 2 297.443 2.198 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178314819 189106006 /nfs/dbraw/zinc/10/60/06/189106006.db2.gz DAVFDUBQYXUOLA-CQSZACIVSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178314819 189106007 /nfs/dbraw/zinc/10/60/07/189106007.db2.gz DAVFDUBQYXUOLA-CQSZACIVSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1ccc(-c2nc(N3CC[NH2+]CC3)c(C)c(C)[nH+]2)cc1 ZINC000006704845 361338983 /nfs/dbraw/zinc/33/89/83/361338983.db2.gz QFEDTBZDDFZLGF-UHFFFAOYSA-N 2 2 282.391 2.478 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182761456 189333905 /nfs/dbraw/zinc/33/39/05/189333905.db2.gz UAYRVRJTUDFDKJ-HNNXBMFYSA-N 3 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182761456 189333906 /nfs/dbraw/zinc/33/39/06/189333906.db2.gz UAYRVRJTUDFDKJ-HNNXBMFYSA-N 3 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000182761456 189333907 /nfs/dbraw/zinc/33/39/07/189333907.db2.gz UAYRVRJTUDFDKJ-HNNXBMFYSA-N 2 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000182761456 189333908 /nfs/dbraw/zinc/33/39/08/189333908.db2.gz UAYRVRJTUDFDKJ-HNNXBMFYSA-N 2 2 287.411 2.369 10 0 CEAELP Cn1cccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812922 364109513 /nfs/dbraw/zinc/10/95/13/364109513.db2.gz SPNMEBRKGWHBSV-AWEZNQCLSA-N 2 2 270.380 2.354 10 0 CEAELP Cn1cccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812922 364109515 /nfs/dbraw/zinc/10/95/15/364109515.db2.gz SPNMEBRKGWHBSV-AWEZNQCLSA-N 2 2 270.380 2.354 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843406 367584935 /nfs/dbraw/zinc/58/49/35/367584935.db2.gz NGSFEPLNBLMNDT-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843406 367584939 /nfs/dbraw/zinc/58/49/39/367584939.db2.gz NGSFEPLNBLMNDT-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000631843352 367586013 /nfs/dbraw/zinc/58/60/13/367586013.db2.gz MPHOHBNYMHHLHZ-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000631843352 367586019 /nfs/dbraw/zinc/58/60/19/367586019.db2.gz MPHOHBNYMHHLHZ-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP COc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000186122818 368922801 /nfs/dbraw/zinc/92/28/01/368922801.db2.gz BYRBLYASWYYVMR-QWHCGFSZSA-N 2 2 298.452 2.254 10 0 CEAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C ZINC000246501670 370969363 /nfs/dbraw/zinc/96/93/63/370969363.db2.gz ZEPCCAAMOKBMSK-GFCCVEGCSA-N 2 2 283.803 2.282 10 0 CEAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@H]1C ZINC000246501670 370969367 /nfs/dbraw/zinc/96/93/67/370969367.db2.gz ZEPCCAAMOKBMSK-GFCCVEGCSA-N 2 2 283.803 2.282 10 0 CEAELP C[C@@H]([NH2+]CC(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915496 369578688 /nfs/dbraw/zinc/57/86/88/369578688.db2.gz FYCWVQHCJRIPCN-CQSZACIVSA-N 2 2 298.390 2.145 10 0 CEAELP C=Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000193855014 369985867 /nfs/dbraw/zinc/98/58/67/369985867.db2.gz MKOMEWKFTFKALS-AWEZNQCLSA-N 2 2 283.379 2.313 10 0 CEAELP C=Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000193855014 369985869 /nfs/dbraw/zinc/98/58/69/369985869.db2.gz MKOMEWKFTFKALS-AWEZNQCLSA-N 2 2 283.379 2.313 10 0 CEAELP C[N@H+](Cc1ccncc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668170 370485314 /nfs/dbraw/zinc/48/53/14/370485314.db2.gz OWZVQLSROXHKMD-LBPRGKRZSA-N 2 2 253.777 2.309 10 0 CEAELP C[N@@H+](Cc1ccncc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231668170 370485318 /nfs/dbraw/zinc/48/53/18/370485318.db2.gz OWZVQLSROXHKMD-LBPRGKRZSA-N 2 2 253.777 2.309 10 0 CEAELP C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670486 370487691 /nfs/dbraw/zinc/48/76/91/370487691.db2.gz CKCGMTCJEHDXSJ-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000231670486 370487694 /nfs/dbraw/zinc/48/76/94/370487694.db2.gz CKCGMTCJEHDXSJ-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP C[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH3+] ZINC000235703645 370575011 /nfs/dbraw/zinc/57/50/11/370575011.db2.gz FGIHRMWFAPICQB-QWRGUYRKSA-N 2 2 292.408 2.010 10 0 CEAELP C[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH3+] ZINC000235703645 370575016 /nfs/dbraw/zinc/57/50/16/370575016.db2.gz FGIHRMWFAPICQB-QWRGUYRKSA-N 2 2 292.408 2.010 10 0 CEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000255003991 371546758 /nfs/dbraw/zinc/54/67/58/371546758.db2.gz IOAGBFOCXFRONA-CABCVRRESA-N 2 2 290.407 2.178 10 0 CEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000255003991 371546764 /nfs/dbraw/zinc/54/67/64/371546764.db2.gz IOAGBFOCXFRONA-CABCVRRESA-N 2 2 290.407 2.178 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1[NH3+] ZINC000261690694 371702831 /nfs/dbraw/zinc/70/28/31/371702831.db2.gz AWBJUOBOLAYDLW-WFASDCNBSA-N 2 2 284.363 2.048 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1[NH3+] ZINC000261690694 371702837 /nfs/dbraw/zinc/70/28/37/371702837.db2.gz AWBJUOBOLAYDLW-WFASDCNBSA-N 2 2 284.363 2.048 10 0 CEAELP [NH3+]Cc1nc(C[N@H+](CC2CC2)C2CCCCC2)no1 ZINC000262179466 371834358 /nfs/dbraw/zinc/83/43/58/371834358.db2.gz INBRKKVNVNQQLN-UHFFFAOYSA-N 2 2 264.373 2.073 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+](CC2CC2)C2CCCCC2)no1 ZINC000262179466 371834365 /nfs/dbraw/zinc/83/43/65/371834365.db2.gz INBRKKVNVNQQLN-UHFFFAOYSA-N 2 2 264.373 2.073 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262083997 371821804 /nfs/dbraw/zinc/82/18/04/371821804.db2.gz UBSWPNPWGPLCHG-WFASDCNBSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262083997 371821806 /nfs/dbraw/zinc/82/18/06/371821806.db2.gz UBSWPNPWGPLCHG-WFASDCNBSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170887 374741852 /nfs/dbraw/zinc/74/18/52/374741852.db2.gz CKTVDBSNFVPVJF-DZGCQCFKSA-N 2 2 280.412 2.394 10 0 CEAELP CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1[nH+]ccn1C ZINC000094144556 184756666 /nfs/dbraw/zinc/75/66/66/184756666.db2.gz DEKMJUMORBJDGE-CYBMUJFWSA-N 2 2 267.417 2.224 10 0 CEAELP CCC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000094755895 184853918 /nfs/dbraw/zinc/85/39/18/184853918.db2.gz ZPKBMVINDPGTMR-KBPBESRZSA-N 2 2 277.412 2.190 10 0 CEAELP Nc1ccsc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090959421 135066850 /nfs/dbraw/zinc/06/68/50/135066850.db2.gz IIVGTYOJRUIXSP-UHFFFAOYSA-N 2 2 288.420 2.484 10 0 CEAELP C[C@H]1[C@@H](C)[N@H+](c2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000093035281 135078356 /nfs/dbraw/zinc/07/83/56/135078356.db2.gz JMKZANUHZCNXDA-VBQJREDUSA-N 2 2 289.423 2.085 10 0 CEAELP C[C@H]1[C@@H](C)[N@@H+](c2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000093035281 135078357 /nfs/dbraw/zinc/07/83/57/135078357.db2.gz JMKZANUHZCNXDA-VBQJREDUSA-N 2 2 289.423 2.085 10 0 CEAELP C[C@H](C[NH3+])[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000093068717 135079073 /nfs/dbraw/zinc/07/90/73/135079073.db2.gz UKHXLAYPUYQFCU-CHWSQXEVSA-N 2 2 281.831 2.445 10 0 CEAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000400400970 395251315 /nfs/dbraw/zinc/25/13/15/395251315.db2.gz KRGHFPXBWRNJSW-OBJOEFQTSA-N 2 2 276.380 2.249 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)C3CCC([NH3+])CC3)cc2[nH+]1 ZINC000037629870 400117811 /nfs/dbraw/zinc/11/78/11/400117811.db2.gz YCQLJJIMLUUFMU-UHFFFAOYSA-N 2 2 272.352 2.327 10 0 CEAELP COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634331 286308239 /nfs/dbraw/zinc/30/82/39/286308239.db2.gz FWOKDZAKSHTJQS-JSGCOSHPSA-N 2 2 278.396 2.263 10 0 CEAELP COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634331 286308240 /nfs/dbraw/zinc/30/82/40/286308240.db2.gz FWOKDZAKSHTJQS-JSGCOSHPSA-N 2 2 278.396 2.263 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1O ZINC000188409342 153053345 /nfs/dbraw/zinc/05/33/45/153053345.db2.gz HQFWJAZQBSMOKL-AWEZNQCLSA-N 2 2 287.363 2.262 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1O ZINC000188409342 153053349 /nfs/dbraw/zinc/05/33/49/153053349.db2.gz HQFWJAZQBSMOKL-AWEZNQCLSA-N 2 2 287.363 2.262 10 0 CEAELP COc1ncccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000193371571 153232300 /nfs/dbraw/zinc/23/23/00/153232300.db2.gz BTJYTAFHTKYNIP-HNNXBMFYSA-N 2 2 286.379 2.260 10 0 CEAELP COc1ncccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000193371571 153232303 /nfs/dbraw/zinc/23/23/03/153232303.db2.gz BTJYTAFHTKYNIP-HNNXBMFYSA-N 2 2 286.379 2.260 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000178289886 165231189 /nfs/dbraw/zinc/23/11/89/165231189.db2.gz ORXROUCVEXXWKR-AWEZNQCLSA-N 2 2 265.401 2.471 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOC(C)(C)C ZINC000178289886 165231191 /nfs/dbraw/zinc/23/11/91/165231191.db2.gz ORXROUCVEXXWKR-AWEZNQCLSA-N 2 2 265.401 2.471 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000178331283 165233302 /nfs/dbraw/zinc/23/33/02/165233302.db2.gz QZOYVLUDVVPCLW-HNNXBMFYSA-N 2 2 256.353 2.251 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000178331283 165233305 /nfs/dbraw/zinc/23/33/05/165233305.db2.gz QZOYVLUDVVPCLW-HNNXBMFYSA-N 2 2 256.353 2.251 10 0 CEAELP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862812 165262829 /nfs/dbraw/zinc/26/28/29/165262829.db2.gz HDCNHIJEYGNDNG-DZGCQCFKSA-N 2 2 298.390 2.192 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC2CC2)c1OC ZINC000020226681 171091193 /nfs/dbraw/zinc/09/11/93/171091193.db2.gz DQCZCVDHZJKPRD-ZDUSSCGKSA-N 2 2 264.369 2.045 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)c1OC ZINC000020226681 171091194 /nfs/dbraw/zinc/09/11/94/171091194.db2.gz DQCZCVDHZJKPRD-ZDUSSCGKSA-N 2 2 264.369 2.045 10 0 CEAELP C[N@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000035285004 172103444 /nfs/dbraw/zinc/10/34/44/172103444.db2.gz LECQYQRANOVDSO-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP C[N@@H+](CCC(N)=[NH2+])Cc1ccc(Br)cc1F ZINC000035285004 172103447 /nfs/dbraw/zinc/10/34/47/172103447.db2.gz LECQYQRANOVDSO-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP CCC[NH2+][C@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000037240627 173057112 /nfs/dbraw/zinc/05/71/12/173057112.db2.gz OLBPLUDHIVJQRX-HNNXBMFYSA-N 2 2 262.397 2.312 10 0 CEAELP CCC[NH2+][C@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000037240627 173057115 /nfs/dbraw/zinc/05/71/15/173057115.db2.gz OLBPLUDHIVJQRX-HNNXBMFYSA-N 2 2 262.397 2.312 10 0 CEAELP C[C@H](Cc1cccs1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000037413574 173190199 /nfs/dbraw/zinc/19/01/99/173190199.db2.gz OAGFITLLABWBJI-BXUZGUMPSA-N 2 2 250.411 2.363 10 0 CEAELP COc1ccccc1C1CC([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087788 174100792 /nfs/dbraw/zinc/10/07/92/174100792.db2.gz ARGOMFPTVAJTJF-IYXRBSQSSA-N 2 2 262.397 2.481 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000040599975 174350246 /nfs/dbraw/zinc/35/02/46/174350246.db2.gz MGIVFYPCZGWWON-GFCCVEGCSA-N 2 2 266.360 2.266 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2OC)C1 ZINC000040599975 174350247 /nfs/dbraw/zinc/35/02/47/174350247.db2.gz MGIVFYPCZGWWON-GFCCVEGCSA-N 2 2 266.360 2.266 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccccc1N1CCCC1 ZINC000040639157 174363933 /nfs/dbraw/zinc/36/39/33/174363933.db2.gz QZMBRLIGRYYQNZ-UHFFFAOYSA-N 2 2 284.407 2.353 10 0 CEAELP O[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000040671463 174369207 /nfs/dbraw/zinc/36/92/07/174369207.db2.gz GQMVAEKEUFLVCD-KURKYZTESA-N 2 2 288.435 2.197 10 0 CEAELP O[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000040671463 174369208 /nfs/dbraw/zinc/36/92/08/174369208.db2.gz GQMVAEKEUFLVCD-KURKYZTESA-N 2 2 288.435 2.197 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000040689116 174375697 /nfs/dbraw/zinc/37/56/97/174375697.db2.gz IVCGNCDZQWCUJE-MRXNPFEDSA-N 2 2 278.396 2.196 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000040689102 174376141 /nfs/dbraw/zinc/37/61/41/174376141.db2.gz MJHMZAAFAVWCIK-MRXNPFEDSA-N 2 2 262.397 2.496 10 0 CEAELP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c1 ZINC000040717279 174384508 /nfs/dbraw/zinc/38/45/08/174384508.db2.gz DYNVGBAVNBFILT-ABAIWWIYSA-N 2 2 264.369 2.045 10 0 CEAELP COc1cc(OC)cc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c1 ZINC000040717279 174384509 /nfs/dbraw/zinc/38/45/09/174384509.db2.gz DYNVGBAVNBFILT-ABAIWWIYSA-N 2 2 264.369 2.045 10 0 CEAELP CC[N@H+](Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748103 174393292 /nfs/dbraw/zinc/39/32/92/174393292.db2.gz WKRJKBUPIIVKHC-MZBDJJRSSA-N 2 2 284.407 2.439 10 0 CEAELP CC[N@@H+](Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748103 174393293 /nfs/dbraw/zinc/39/32/93/174393293.db2.gz WKRJKBUPIIVKHC-MZBDJJRSSA-N 2 2 284.407 2.439 10 0 CEAELP CC[N@H+](Cc1ccoc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748334 174393326 /nfs/dbraw/zinc/39/33/26/174393326.db2.gz SPDYSVHPUDSYKN-PBWFPOADSA-N 2 2 292.379 2.171 10 0 CEAELP CC[N@@H+](Cc1ccoc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748334 174393328 /nfs/dbraw/zinc/39/33/28/174393328.db2.gz SPDYSVHPUDSYKN-PBWFPOADSA-N 2 2 292.379 2.171 10 0 CEAELP Cc1ccc(F)cc1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750002 174394813 /nfs/dbraw/zinc/39/48/13/174394813.db2.gz YWCJEYSVRFSECF-AGUYFDCRSA-N 2 2 291.370 2.027 10 0 CEAELP Cc1ccc(F)cc1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750002 174394814 /nfs/dbraw/zinc/39/48/14/174394814.db2.gz YWCJEYSVRFSECF-AGUYFDCRSA-N 2 2 291.370 2.027 10 0 CEAELP CC[C@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000122955723 414792145 /nfs/dbraw/zinc/79/21/45/414792145.db2.gz KOBKYMUYRJIAAM-RYUDHWBXSA-N 2 2 258.369 2.137 10 0 CEAELP Cc1[nH+]cc(CN[C@H](C[NH+](C)C)c2ccccc2)n1C ZINC000657298476 414844017 /nfs/dbraw/zinc/84/40/17/414844017.db2.gz VLYJAJRZNKZKNN-MRXNPFEDSA-N 2 2 272.396 2.121 10 0 CEAELP Cc1[nH]c(CN[C@H](CC(C)C)C[NH+](C)C)[nH+]c1C ZINC000657347122 414873917 /nfs/dbraw/zinc/87/39/17/414873917.db2.gz UJWBEJBPFAHAGK-CYBMUJFWSA-N 2 2 252.406 2.092 10 0 CEAELP [NH3+]C[C@@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341485 175015555 /nfs/dbraw/zinc/01/55/55/175015555.db2.gz RQYGBWKEXZCIBS-HNNXBMFYSA-N 2 2 264.332 2.493 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC)[C@@H](C)COC ZINC000043348595 175018995 /nfs/dbraw/zinc/01/89/95/175018995.db2.gz WMYHMTWHBOQFKV-NWANDNLSSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC)[C@@H](C)COC ZINC000043348595 175018996 /nfs/dbraw/zinc/01/89/96/175018996.db2.gz WMYHMTWHBOQFKV-NWANDNLSSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC)[C@@H](C)COC ZINC000043354804 175021959 /nfs/dbraw/zinc/02/19/59/175021959.db2.gz XJNBPESUQILRFF-NWANDNLSSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC)[C@@H](C)COC ZINC000043354804 175021960 /nfs/dbraw/zinc/02/19/60/175021960.db2.gz XJNBPESUQILRFF-NWANDNLSSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CO ZINC000043364606 175025887 /nfs/dbraw/zinc/02/58/87/175025887.db2.gz AXYMCMYNCZYNJJ-VNHYZAJKSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CO ZINC000043364606 175025888 /nfs/dbraw/zinc/02/58/88/175025888.db2.gz AXYMCMYNCZYNJJ-VNHYZAJKSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](CCCO)C(C)C)o1 ZINC000043365165 175026768 /nfs/dbraw/zinc/02/67/68/175026768.db2.gz UXVOMDBAECHDIZ-OCCSQVGLSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](CCCO)C(C)C)o1 ZINC000043365165 175026769 /nfs/dbraw/zinc/02/67/69/175026769.db2.gz UXVOMDBAECHDIZ-OCCSQVGLSA-N 2 2 254.374 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCO)C(C)C ZINC000043365148 175026939 /nfs/dbraw/zinc/02/69/39/175026939.db2.gz BYPBSFOAMSFIET-JSGCOSHPSA-N 2 2 254.374 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCO)C(C)C ZINC000043365148 175026941 /nfs/dbraw/zinc/02/69/41/175026941.db2.gz BYPBSFOAMSFIET-JSGCOSHPSA-N 2 2 254.374 2.069 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394073 175034627 /nfs/dbraw/zinc/03/46/27/175034627.db2.gz QCESUBBSNPZWEC-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)Cc1ccccc1)OCCO2 ZINC000043816423 175112110 /nfs/dbraw/zinc/11/21/10/175112110.db2.gz WKRXURFZOBKRRX-HOTGVXAUSA-N 2 2 290.407 2.002 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)Cc1ccccc1)OCCO2 ZINC000043816423 175112111 /nfs/dbraw/zinc/11/21/11/175112111.db2.gz WKRXURFZOBKRRX-HOTGVXAUSA-N 2 2 290.407 2.002 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818869 175113855 /nfs/dbraw/zinc/11/38/55/175113855.db2.gz PAMPGNXYHBQCES-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818869 175113856 /nfs/dbraw/zinc/11/38/56/175113856.db2.gz PAMPGNXYHBQCES-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[NH+](CC(C)C)CC(C)C)OCCO2 ZINC000043909591 175123185 /nfs/dbraw/zinc/12/31/85/175123185.db2.gz PZZFYMURBOBVBG-CVEARBPZSA-N 2 2 298.471 2.484 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913704 175124544 /nfs/dbraw/zinc/12/45/44/175124544.db2.gz WPNNWBFZNNEBQY-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913704 175124546 /nfs/dbraw/zinc/12/45/46/175124546.db2.gz WPNNWBFZNNEBQY-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](C)CCOC ZINC000043916111 175125156 /nfs/dbraw/zinc/12/51/56/175125156.db2.gz OFBMCYCVXLJYMG-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916111 175125157 /nfs/dbraw/zinc/12/51/57/175125157.db2.gz OFBMCYCVXLJYMG-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP Nc1cccc2c1C[N@H+](CCCCn1cc[nH+]c1)C2 ZINC000045109245 175309636 /nfs/dbraw/zinc/30/96/36/175309636.db2.gz IYWIMKGUEWHPFN-UHFFFAOYSA-N 2 2 256.353 2.261 10 0 CEAELP Nc1cccc2c1C[N@@H+](CCCCn1cc[nH+]c1)C2 ZINC000045109245 175309637 /nfs/dbraw/zinc/30/96/37/175309637.db2.gz IYWIMKGUEWHPFN-UHFFFAOYSA-N 2 2 256.353 2.261 10 0 CEAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCC1)C(=O)OCC ZINC000045375394 175366351 /nfs/dbraw/zinc/36/63/51/175366351.db2.gz VQBWFDPEAXUMGW-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378375 175367803 /nfs/dbraw/zinc/36/78/03/175367803.db2.gz RSXASRFNMFZETN-MRXNPFEDSA-N 2 2 282.428 2.326 10 0 CEAELP CCC[N@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382422 175371474 /nfs/dbraw/zinc/37/14/74/175371474.db2.gz FNMKFMPTYKTNAX-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](C)CCC[C@@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382422 175371475 /nfs/dbraw/zinc/37/14/75/175371475.db2.gz FNMKFMPTYKTNAX-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCc1nc(NCC2CC[NH2+]CC2)c(C)c(CC)[nH+]1 ZINC000045954834 175388947 /nfs/dbraw/zinc/38/89/47/175388947.db2.gz KAOAFBWWJPAMTC-UHFFFAOYSA-N 2 2 262.401 2.321 10 0 CEAELP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2cccnc2)[nH+]1 ZINC000045955132 175388970 /nfs/dbraw/zinc/38/89/70/175388970.db2.gz VUOGQBVBHNGKSY-CYBMUJFWSA-N 2 2 269.352 2.011 10 0 CEAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455809 175940314 /nfs/dbraw/zinc/94/03/14/175940314.db2.gz BVQRSDHJKGCYPB-ZDUSSCGKSA-N 2 2 286.354 2.383 10 0 CEAELP CC[C@@]1(C)C[C@@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000070988091 176018727 /nfs/dbraw/zinc/01/87/27/176018727.db2.gz HKRQUDITXLDAAI-ZNMIVQPWSA-N 2 2 252.402 2.018 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)C1 ZINC000071123452 176035051 /nfs/dbraw/zinc/03/50/51/176035051.db2.gz KMTLUNOVMSXAMQ-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOC(C)(C)C2)C1 ZINC000071123452 176035053 /nfs/dbraw/zinc/03/50/53/176035053.db2.gz KMTLUNOVMSXAMQ-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)C1CCOCC1 ZINC000071161685 176046278 /nfs/dbraw/zinc/04/62/78/176046278.db2.gz FGZNLRHKZCDTSK-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000071161685 176046280 /nfs/dbraw/zinc/04/62/80/176046280.db2.gz FGZNLRHKZCDTSK-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CCC[NH2+][C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199360 176077361 /nfs/dbraw/zinc/07/73/61/176077361.db2.gz OGQLXUACDDKHJK-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199360 176077363 /nfs/dbraw/zinc/07/73/63/176077363.db2.gz OGQLXUACDDKHJK-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP CCn1cc(C[N@H+](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309802 176116822 /nfs/dbraw/zinc/11/68/22/176116822.db2.gz SVJNNIFVBHRIAR-AWEZNQCLSA-N 2 2 257.381 2.455 10 0 CEAELP CCn1cc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309802 176116823 /nfs/dbraw/zinc/11/68/23/176116823.db2.gz SVJNNIFVBHRIAR-AWEZNQCLSA-N 2 2 257.381 2.455 10 0 CEAELP CC[N@H+]([C@@H](C)c1ccc(O)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071311937 176118742 /nfs/dbraw/zinc/11/87/42/176118742.db2.gz FTBIFDZHOOXMDE-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP CC[N@@H+]([C@@H](C)c1ccc(O)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071311937 176118743 /nfs/dbraw/zinc/11/87/43/176118743.db2.gz FTBIFDZHOOXMDE-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc(C)c(Cl)cc1CC[N@H+](C)CC[NH3+] ZINC000076306118 176976959 /nfs/dbraw/zinc/97/69/59/176976959.db2.gz OHXRCCCBCCCBSE-UHFFFAOYSA-N 2 2 256.777 2.090 10 0 CEAELP COc1cc(C)c(Cl)cc1CC[N@@H+](C)CC[NH3+] ZINC000076306118 176976961 /nfs/dbraw/zinc/97/69/61/176976961.db2.gz OHXRCCCBCCCBSE-UHFFFAOYSA-N 2 2 256.777 2.090 10 0 CEAELP Brc1c[nH+]ccc1N1CCn2cc[nH+]c2C1 ZINC000164060448 275715180 /nfs/dbraw/zinc/71/51/80/275715180.db2.gz NJDVHGBNSQXSRU-UHFFFAOYSA-N 2 2 279.141 2.061 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2[nH+]1 ZINC000070575344 282054115 /nfs/dbraw/zinc/05/41/15/282054115.db2.gz CMAVAARWBQQCJN-WDEREUQCSA-N 2 2 272.352 2.327 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708668 289737196 /nfs/dbraw/zinc/73/71/96/289737196.db2.gz HBBHGNZVWXIGLU-XVSSEFHLSA-N 2 2 294.361 2.464 10 0 CEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811584 522219526 /nfs/dbraw/zinc/21/95/26/522219526.db2.gz OOKQXEAXAVBACQ-YPMHNXCESA-N 2 2 262.353 2.399 10 0 CEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811584 522219544 /nfs/dbraw/zinc/21/95/44/522219544.db2.gz OOKQXEAXAVBACQ-YPMHNXCESA-N 2 2 262.353 2.399 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(N2CCn3cc[nH+]c3C2)ccn1 ZINC000062324243 518764082 /nfs/dbraw/zinc/76/40/82/518764082.db2.gz SXWWHDFPAYXOTM-UHFFFAOYSA-N 2 2 285.395 2.186 10 0 CEAELP CC(C)OCC[N@@H+]1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062660574 519765712 /nfs/dbraw/zinc/76/57/12/519765712.db2.gz KMTPXIFHCSLSFM-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CC(C)OCC[N@H+]1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062660574 519765714 /nfs/dbraw/zinc/76/57/14/519765714.db2.gz KMTPXIFHCSLSFM-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000054555125 519803341 /nfs/dbraw/zinc/80/33/41/519803341.db2.gz SCRAVURLFIJJBC-MGPQQGTHSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+]2CCOC(C)(C)C2)C1 ZINC000054555125 519803342 /nfs/dbraw/zinc/80/33/42/519803342.db2.gz SCRAVURLFIJJBC-MGPQQGTHSA-N 2 2 254.418 2.249 10 0 CEAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423708 519928301 /nfs/dbraw/zinc/92/83/01/519928301.db2.gz OCEARNYVHQZYEV-HNNXBMFYSA-N 2 2 291.439 2.205 10 0 CEAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422935 519928662 /nfs/dbraw/zinc/92/86/62/519928662.db2.gz OCQPQQDYHGYSFR-OAHLLOKOSA-N 2 2 291.439 2.205 10 0 CEAELP CC[NH2+][C@@H](C)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000061274930 520071764 /nfs/dbraw/zinc/07/17/64/520071764.db2.gz JUJYQFWKCWQZKA-AWEZNQCLSA-N 2 2 279.403 2.336 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3C[NH3+])ccc2n1 ZINC000097862693 534466482 /nfs/dbraw/zinc/46/64/82/534466482.db2.gz SKSRAJQTZLOGDV-OAHLLOKOSA-N 2 2 255.365 2.466 10 0 CEAELP Cc1ccc2cc(C[N@H+]3CCC[C@@H]3C[NH3+])ccc2n1 ZINC000097862693 534466486 /nfs/dbraw/zinc/46/64/86/534466486.db2.gz SKSRAJQTZLOGDV-OAHLLOKOSA-N 2 2 255.365 2.466 10 0 CEAELP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(Cl)c1 ZINC000050499212 520738103 /nfs/dbraw/zinc/73/81/03/520738103.db2.gz JTGDDEFXYNFTJF-CQSZACIVSA-N 2 2 270.804 2.132 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@@H](C)n1cc[nH+]c1C)[NH2+]C1CC1 ZINC000068648819 521150789 /nfs/dbraw/zinc/15/07/89/521150789.db2.gz ZSOFHBOIEMYWER-IAQYHMDHSA-N 2 2 279.384 2.216 10 0 CEAELP CCC[C@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697592 521224298 /nfs/dbraw/zinc/22/42/98/521224298.db2.gz VGMVVZSTSORQFG-ZFWWWQNUSA-N 2 2 272.396 2.297 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)[NH2+]C ZINC000069516543 521319429 /nfs/dbraw/zinc/31/94/29/521319429.db2.gz DPLKYPBWOXNCAL-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCCC(C)(C)C1)[NH2+]C ZINC000069516543 521319436 /nfs/dbraw/zinc/31/94/36/521319436.db2.gz DPLKYPBWOXNCAL-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]C)C(=O)OCC ZINC000068650332 521554279 /nfs/dbraw/zinc/55/42/79/521554279.db2.gz PJCLDQMTAKWWLD-WFASDCNBSA-N 2 2 281.400 2.328 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]C)C(=O)OCC ZINC000068650340 521554334 /nfs/dbraw/zinc/55/43/34/521554334.db2.gz PJCLDQMTAKWWLD-IUODEOHRSA-N 2 2 281.400 2.328 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2ccnc(NC)c2)CC1 ZINC000052727962 521565294 /nfs/dbraw/zinc/56/52/94/521565294.db2.gz LSEWFTNZABNVII-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccnc(NC)c2)CC1 ZINC000052727962 521565300 /nfs/dbraw/zinc/56/53/00/521565300.db2.gz LSEWFTNZABNVII-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544085 521566736 /nfs/dbraw/zinc/56/67/36/521566736.db2.gz XERSEJRSUQGTKP-HNNXBMFYSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544085 521566741 /nfs/dbraw/zinc/56/67/41/521566741.db2.gz XERSEJRSUQGTKP-HNNXBMFYSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+](CC(=O)OCC)Cc1cc(F)ccc1C[NH3+] ZINC000069401724 521573962 /nfs/dbraw/zinc/57/39/62/521573962.db2.gz RYAPFNFOIOWFFC-UHFFFAOYSA-N 2 2 282.359 2.060 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)Cc1cc(F)ccc1C[NH3+] ZINC000069401724 521573968 /nfs/dbraw/zinc/57/39/68/521573968.db2.gz RYAPFNFOIOWFFC-UHFFFAOYSA-N 2 2 282.359 2.060 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)c(F)c1 ZINC000062802989 522337783 /nfs/dbraw/zinc/33/77/83/522337783.db2.gz JWQICCIOFXFIIV-LBPRGKRZSA-N 2 2 277.343 2.359 10 0 CEAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)COC ZINC000062808179 522500765 /nfs/dbraw/zinc/50/07/65/522500765.db2.gz ZEONDDWBISTOMH-LBPRGKRZSA-N 2 2 261.369 2.223 10 0 CEAELP COc1ccc(C)cc1C[N@H+](CC[NH3+])CC(C)C ZINC000050705057 523809517 /nfs/dbraw/zinc/80/95/17/523809517.db2.gz NQZXQJQMALYCCI-UHFFFAOYSA-N 2 2 250.386 2.420 10 0 CEAELP COc1ccc(C)cc1C[N@@H+](CC[NH3+])CC(C)C ZINC000050705057 523809525 /nfs/dbraw/zinc/80/95/25/523809525.db2.gz NQZXQJQMALYCCI-UHFFFAOYSA-N 2 2 250.386 2.420 10 0 CEAELP C[C@H]1CCC[C@H]([NH2+]CCN(C)Cc2[nH+]ccn2C)C1 ZINC000062327576 524208651 /nfs/dbraw/zinc/20/86/51/524208651.db2.gz XIIKKIFTBGVYNR-KBPBESRZSA-N 2 2 264.417 2.020 10 0 CEAELP C[C@H](C[NH+]1CCCCC1)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812938 524335542 /nfs/dbraw/zinc/33/55/42/524335542.db2.gz PGGZIBMOKOXTRI-LLVKDONJSA-N 2 2 278.425 2.002 10 0 CEAELP C[C@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049510218 524361079 /nfs/dbraw/zinc/36/10/79/524361079.db2.gz DHLMSYKGVDVNFZ-SNVBAGLBSA-N 2 2 294.786 2.165 10 0 CEAELP C[C@@H]1CCc2ccccc2N1CC[N@@H+]1CCC[NH2+]CC1 ZINC000061274916 524730825 /nfs/dbraw/zinc/73/08/25/524730825.db2.gz VNTABZOFVBTTHJ-OAHLLOKOSA-N 2 2 273.424 2.123 10 0 CEAELP C[C@@H]1CCc2ccccc2N1CC[N@H+]1CCC[NH2+]CC1 ZINC000061274916 524730838 /nfs/dbraw/zinc/73/08/38/524730838.db2.gz VNTABZOFVBTTHJ-OAHLLOKOSA-N 2 2 273.424 2.123 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc2ccccc2n1 ZINC000062802835 524835540 /nfs/dbraw/zinc/83/55/40/524835540.db2.gz HHEXHGRPCRNZNC-LBPRGKRZSA-N 2 2 266.348 2.369 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757580 525018819 /nfs/dbraw/zinc/01/88/19/525018819.db2.gz ORSXLDSZVIORON-XJKCOSOUSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757580 525018828 /nfs/dbraw/zinc/01/88/28/525018828.db2.gz ORSXLDSZVIORON-XJKCOSOUSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1cc(N)c[nH+]c1N1CC[NH+](C2CCCC2)CC1 ZINC000052813568 525040040 /nfs/dbraw/zinc/04/00/40/525040040.db2.gz GVCXZIJFFPNIFW-UHFFFAOYSA-N 2 2 260.385 2.037 10 0 CEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757150 525212148 /nfs/dbraw/zinc/21/21/48/525212148.db2.gz DSXXHKQDBDWDAO-YSVLISHTSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757150 525212153 /nfs/dbraw/zinc/21/21/53/525212153.db2.gz DSXXHKQDBDWDAO-YSVLISHTSA-N 2 2 292.423 2.320 10 0 CEAELP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(C[NH2+]C2CC2)o1 ZINC000052540224 526424220 /nfs/dbraw/zinc/42/42/20/526424220.db2.gz LZQAOHDPZAJZLI-LSDHHAIUSA-N 2 2 276.380 2.285 10 0 CEAELP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c(C[NH2+]C2CC2)o1 ZINC000052540224 526424225 /nfs/dbraw/zinc/42/42/25/526424225.db2.gz LZQAOHDPZAJZLI-LSDHHAIUSA-N 2 2 276.380 2.285 10 0 CEAELP Cc1oc(C[NH+]2CCN(C)CC2)cc1C[NH2+]CC(C)C ZINC000052379319 526772241 /nfs/dbraw/zinc/77/22/41/526772241.db2.gz OMKWSLVXUOFBTD-UHFFFAOYSA-N 2 2 279.428 2.081 10 0 CEAELP OCC[NH+]1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000399077704 628773373 /nfs/dbraw/zinc/77/33/73/628773373.db2.gz QLYCUQKREBPOMM-CQSZACIVSA-N 2 2 280.437 2.172 10 0 CEAELP Clc1ccc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000034400080 361789086 /nfs/dbraw/zinc/78/90/86/361789086.db2.gz BFWOBKVXTNMUNK-HNNXBMFYSA-N 2 2 279.815 2.436 10 0 CEAELP CC[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259871 539222175 /nfs/dbraw/zinc/22/21/75/539222175.db2.gz XMTDGABVECRJGV-GOEBONIOSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259871 539222177 /nfs/dbraw/zinc/22/21/77/539222177.db2.gz XMTDGABVECRJGV-GOEBONIOSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305259871 539222179 /nfs/dbraw/zinc/22/21/79/539222179.db2.gz XMTDGABVECRJGV-GOEBONIOSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305259871 539222180 /nfs/dbraw/zinc/22/21/80/539222180.db2.gz XMTDGABVECRJGV-GOEBONIOSA-N 2 2 264.413 2.210 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438863 344373932 /nfs/dbraw/zinc/37/39/32/344373932.db2.gz RHZPZUFGDZYOPH-KRWDZBQOSA-N 2 2 276.424 2.422 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438863 344373934 /nfs/dbraw/zinc/37/39/34/344373934.db2.gz RHZPZUFGDZYOPH-KRWDZBQOSA-N 2 2 276.424 2.422 10 0 CEAELP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000083763856 178744049 /nfs/dbraw/zinc/74/40/49/178744049.db2.gz OPUVUBNXPUSJTF-LBPRGKRZSA-N 2 2 269.186 2.449 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000399043663 344857075 /nfs/dbraw/zinc/85/70/75/344857075.db2.gz RMVVPYACVCTXLA-GFCCVEGCSA-N 2 2 282.815 2.447 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000399247325 344857858 /nfs/dbraw/zinc/85/78/58/344857858.db2.gz KKQVMYZMQBXRBO-LLVKDONJSA-N 2 2 284.350 2.072 10 0 CEAELP O=C(C[C@H]1CCC[NH2+]C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000054306451 362525117 /nfs/dbraw/zinc/52/51/17/362525117.db2.gz SLHRWIXESITMEJ-CYBMUJFWSA-N 2 2 284.363 2.201 10 0 CEAELP CC[N@H+](CCCC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085304287 179011374 /nfs/dbraw/zinc/01/13/74/179011374.db2.gz SSSHLJZGVNGZON-HNNXBMFYSA-N 2 2 250.386 2.393 10 0 CEAELP CC[N@@H+](CCCC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085304287 179011376 /nfs/dbraw/zinc/01/13/76/179011376.db2.gz SSSHLJZGVNGZON-HNNXBMFYSA-N 2 2 250.386 2.393 10 0 CEAELP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085512039 179085325 /nfs/dbraw/zinc/08/53/25/179085325.db2.gz BNQBETSOHBMWIE-IAGOWNOFSA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085512039 179085327 /nfs/dbraw/zinc/08/53/27/179085327.db2.gz BNQBETSOHBMWIE-IAGOWNOFSA-N 2 2 290.455 2.372 10 0 CEAELP COCCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515703 179087820 /nfs/dbraw/zinc/08/78/20/179087820.db2.gz XCFIJCKDVVIMIR-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515703 179087823 /nfs/dbraw/zinc/08/78/23/179087823.db2.gz XCFIJCKDVVIMIR-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC(C)Cc1nc2c(n1[C@@H](C)Cn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573543 179099651 /nfs/dbraw/zinc/09/96/51/179099651.db2.gz BRCWIOAXYVOSIR-ZDUSSCGKSA-N 2 2 287.411 2.185 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609358 179101509 /nfs/dbraw/zinc/10/15/09/179101509.db2.gz WPEIKAYQYVQRDP-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609358 179101511 /nfs/dbraw/zinc/10/15/11/179101511.db2.gz WPEIKAYQYVQRDP-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C)C2)cc1F ZINC000085610287 179101779 /nfs/dbraw/zinc/10/17/79/179101779.db2.gz OJNQQZZXPSWPEY-NSHDSACASA-N 2 2 252.333 2.018 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C)C2)cc1F ZINC000085610287 179101780 /nfs/dbraw/zinc/10/17/80/179101780.db2.gz OJNQQZZXPSWPEY-NSHDSACASA-N 2 2 252.333 2.018 10 0 CEAELP CC(C)(C)[C@@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085614022 179102720 /nfs/dbraw/zinc/10/27/20/179102720.db2.gz GUGJYVRVSQRZMC-AWEZNQCLSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)(C)[C@@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085614022 179102721 /nfs/dbraw/zinc/10/27/21/179102721.db2.gz GUGJYVRVSQRZMC-AWEZNQCLSA-N 2 2 254.418 2.123 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623652 179105258 /nfs/dbraw/zinc/10/52/58/179105258.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 3 2 276.428 2.044 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623652 179105259 /nfs/dbraw/zinc/10/52/59/179105259.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 3 2 276.428 2.044 10 0 CEAELP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1Cc1ncccn1 ZINC000085620923 179105831 /nfs/dbraw/zinc/10/58/31/179105831.db2.gz FDCNZRNNPWFPSC-CQSZACIVSA-N 2 2 274.412 2.363 10 0 CEAELP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@H+]1Cc1ncccn1 ZINC000085620923 179105833 /nfs/dbraw/zinc/10/58/33/179105833.db2.gz FDCNZRNNPWFPSC-CQSZACIVSA-N 2 2 274.412 2.363 10 0 CEAELP COc1ccc(C[N@@H+]2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620702 179106182 /nfs/dbraw/zinc/10/61/82/179106182.db2.gz XKRWAIDOSAPOIQ-NEPJUHHUSA-N 2 2 266.360 2.407 10 0 CEAELP COc1ccc(C[N@H+]2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1F ZINC000085620702 179106185 /nfs/dbraw/zinc/10/61/85/179106185.db2.gz XKRWAIDOSAPOIQ-NEPJUHHUSA-N 2 2 266.360 2.407 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151863 179240487 /nfs/dbraw/zinc/24/04/87/179240487.db2.gz OOEQSOLEPZJZOA-XQLPTFJDSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151863 179240488 /nfs/dbraw/zinc/24/04/88/179240488.db2.gz OOEQSOLEPZJZOA-XQLPTFJDSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H](COC)[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086176413 179246273 /nfs/dbraw/zinc/24/62/73/179246273.db2.gz SFZSZUQBYSOZEN-RBSFLKMASA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H](COC)[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086176413 179246274 /nfs/dbraw/zinc/24/62/74/179246274.db2.gz SFZSZUQBYSOZEN-RBSFLKMASA-N 2 2 256.434 2.366 10 0 CEAELP CCC[NH+]1CCC([N@@H+]2CCC[NH2+]C3(CCCC3)C2)CC1 ZINC000086290268 179265468 /nfs/dbraw/zinc/26/54/68/179265468.db2.gz XBDOIHRLRHVQIX-UHFFFAOYSA-N 3 2 279.472 2.469 10 0 CEAELP CCC[NH+]1CCC([N@H+]2CCC[NH2+]C3(CCCC3)C2)CC1 ZINC000086290268 179265470 /nfs/dbraw/zinc/26/54/70/179265470.db2.gz XBDOIHRLRHVQIX-UHFFFAOYSA-N 3 2 279.472 2.469 10 0 CEAELP Cc1csc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086290056 179264483 /nfs/dbraw/zinc/26/44/83/179264483.db2.gz ULTXKWHRZIVXKA-AWEZNQCLSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1csc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000086290056 179264484 /nfs/dbraw/zinc/26/44/84/179264484.db2.gz ULTXKWHRZIVXKA-AWEZNQCLSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)s1 ZINC000086289954 179264847 /nfs/dbraw/zinc/26/48/47/179264847.db2.gz CGWPBZNEWJGMPY-CQSZACIVSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)s1 ZINC000086289954 179264848 /nfs/dbraw/zinc/26/48/48/179264848.db2.gz CGWPBZNEWJGMPY-CQSZACIVSA-N 2 2 265.426 2.416 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291395 179265521 /nfs/dbraw/zinc/26/55/21/179265521.db2.gz UMVPOUDLGHJTMZ-GJZGRUSLSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291395 179265524 /nfs/dbraw/zinc/26/55/24/179265524.db2.gz UMVPOUDLGHJTMZ-GJZGRUSLSA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292452 179266740 /nfs/dbraw/zinc/26/67/40/179266740.db2.gz JMWWTPVBOZMBPJ-LSDHHAIUSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292452 179266742 /nfs/dbraw/zinc/26/67/42/179266742.db2.gz JMWWTPVBOZMBPJ-LSDHHAIUSA-N 2 2 254.418 2.123 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086296349 179267939 /nfs/dbraw/zinc/26/79/39/179267939.db2.gz PKDINDNXUQPLQU-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)ccn1 ZINC000086296349 179267941 /nfs/dbraw/zinc/26/79/41/179267941.db2.gz PKDINDNXUQPLQU-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP CCC[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297909 179269269 /nfs/dbraw/zinc/26/92/69/179269269.db2.gz DVZWDUXXMLARDR-LBPRGKRZSA-N 2 2 253.415 2.150 10 0 CEAELP CCC[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297909 179269270 /nfs/dbraw/zinc/26/92/70/179269270.db2.gz DVZWDUXXMLARDR-LBPRGKRZSA-N 2 2 253.415 2.150 10 0 CEAELP CCCC1CCC(C[NH3+])(OCC[NH+]2CCOCC2)CC1 ZINC000086713427 179322728 /nfs/dbraw/zinc/32/27/28/179322728.db2.gz ICWHBWCNKZPZIA-UHFFFAOYSA-N 2 2 284.444 2.023 10 0 CEAELP COC1CC[NH+]([C@@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890609 179366539 /nfs/dbraw/zinc/36/65/39/179366539.db2.gz RQBUOBZCUDSSAA-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913301 179367137 /nfs/dbraw/zinc/36/71/37/179367137.db2.gz BQSFFYQTZQLDTC-GDBMZVCRSA-N 2 2 276.428 2.387 10 0 CEAELP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000086947106 179368459 /nfs/dbraw/zinc/36/84/59/179368459.db2.gz FERHWOFKGDCUPL-IXDOHACOSA-N 2 2 281.488 2.427 10 0 CEAELP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000086947106 179368461 /nfs/dbraw/zinc/36/84/61/179368461.db2.gz FERHWOFKGDCUPL-IXDOHACOSA-N 2 2 281.488 2.427 10 0 CEAELP CC(C)[C@@H]1CCC[C@@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952250 179368994 /nfs/dbraw/zinc/36/89/94/179368994.db2.gz HIEUQSXFQXBRCO-HUUCEWRRSA-N 2 2 256.434 2.105 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991905 179375417 /nfs/dbraw/zinc/37/54/17/179375417.db2.gz KZTANVDHXVQOSF-OAHLLOKOSA-N 2 2 298.402 2.439 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991905 179375420 /nfs/dbraw/zinc/37/54/20/179375420.db2.gz KZTANVDHXVQOSF-OAHLLOKOSA-N 2 2 298.402 2.439 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc3cccnc3c2)CC1 ZINC000616619338 348536705 /nfs/dbraw/zinc/53/67/05/348536705.db2.gz HYVPXPCFDDTXBX-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616621541 348537224 /nfs/dbraw/zinc/53/72/24/348537224.db2.gz RYRDVTDEACZGIY-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616621541 348537225 /nfs/dbraw/zinc/53/72/25/348537225.db2.gz RYRDVTDEACZGIY-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP CCN(c1ccccc1F)[C@@H](C[NH3+])c1c[nH+]cn1C ZINC000090167810 179924082 /nfs/dbraw/zinc/92/40/82/179924082.db2.gz YMHXERXTBYVRDH-ZDUSSCGKSA-N 2 2 262.332 2.086 10 0 CEAELP Cn1c[nH+]cc1[C@@H](C[NH3+])Nc1ccccc1Br ZINC000090168122 179924302 /nfs/dbraw/zinc/92/43/02/179924302.db2.gz RARMTSKKAJXWJR-LLVKDONJSA-N 2 2 295.184 2.295 10 0 CEAELP COCc1nc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655997 350075623 /nfs/dbraw/zinc/07/56/23/350075623.db2.gz KRCACRSMAJXDKV-GFCCVEGCSA-N 2 2 283.441 2.111 10 0 CEAELP COCc1nc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623655997 350075626 /nfs/dbraw/zinc/07/56/26/350075626.db2.gz KRCACRSMAJXDKV-GFCCVEGCSA-N 2 2 283.441 2.111 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C)O2 ZINC000090897795 180056988 /nfs/dbraw/zinc/05/69/88/180056988.db2.gz PIOOAYBJVAQCJE-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C)O2 ZINC000090897795 180056990 /nfs/dbraw/zinc/05/69/90/180056990.db2.gz PIOOAYBJVAQCJE-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP CCC[N@H+](CC[NH2+]C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898932 180057922 /nfs/dbraw/zinc/05/79/22/180057922.db2.gz AUIVNMDBZHGCST-OAHLLOKOSA-N 2 2 262.397 2.230 10 0 CEAELP CCC[N@@H+](CC[NH2+]C)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898932 180057923 /nfs/dbraw/zinc/05/79/23/180057923.db2.gz AUIVNMDBZHGCST-OAHLLOKOSA-N 2 2 262.397 2.230 10 0 CEAELP CC[N@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900133 180059353 /nfs/dbraw/zinc/05/93/53/180059353.db2.gz PDGGLXVJUPPYCL-KGLIPLIRSA-N 2 2 280.799 2.327 10 0 CEAELP CC[N@@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900133 180059356 /nfs/dbraw/zinc/05/93/56/180059356.db2.gz PDGGLXVJUPPYCL-KGLIPLIRSA-N 2 2 280.799 2.327 10 0 CEAELP COCC[N@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H](C)COC ZINC000091362601 180141494 /nfs/dbraw/zinc/14/14/94/180141494.db2.gz MPWRYVHDBGWMNH-QAETUUGQSA-N 2 2 298.471 2.281 10 0 CEAELP COCC[N@@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[C@@H](C)COC ZINC000091362601 180141495 /nfs/dbraw/zinc/14/14/95/180141495.db2.gz MPWRYVHDBGWMNH-QAETUUGQSA-N 2 2 298.471 2.281 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000091273000 180117961 /nfs/dbraw/zinc/11/79/61/180117961.db2.gz MNRLCXVVJZNGJS-OCCSQVGLSA-N 2 2 250.390 2.166 10 0 CEAELP CCCN(Cc1c[nH+]cn1C(C)C)[C@H]1CC[NH2+]C1 ZINC000091273014 180118175 /nfs/dbraw/zinc/11/81/75/180118175.db2.gz UMRKFKIDISAVBN-ZDUSSCGKSA-N 2 2 250.390 2.038 10 0 CEAELP [NH3+]C[C@H](Nc1ccc(F)cc1)c1c[nH+]cn1C1CC1 ZINC000091276652 180119625 /nfs/dbraw/zinc/11/96/25/180119625.db2.gz AAMXKHSOQZFHEO-ZDUSSCGKSA-N 2 2 260.316 2.469 10 0 CEAELP CC[C@H]1CCCCN1[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276220 180119807 /nfs/dbraw/zinc/11/98/07/180119807.db2.gz RVONEDITMSSFNN-JSGCOSHPSA-N 2 2 262.401 2.482 10 0 CEAELP COc1cccc(N(C)[C@@H](C[NH3+])c2c[nH+]cn2C2CC2)c1 ZINC000091276473 180119834 /nfs/dbraw/zinc/11/98/34/180119834.db2.gz GGRLXQMXQSRSMM-HNNXBMFYSA-N 2 2 286.379 2.363 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1cncn1C1CC1 ZINC000091277086 180120083 /nfs/dbraw/zinc/12/00/83/180120083.db2.gz VPVDSUPBJGOYSR-CYBMUJFWSA-N 2 2 262.401 2.182 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1cncn1C1CC1 ZINC000091277086 180120086 /nfs/dbraw/zinc/12/00/86/180120086.db2.gz VPVDSUPBJGOYSR-CYBMUJFWSA-N 2 2 262.401 2.182 10 0 CEAELP C[NH2+]CC[C@H]1CCCCN1Cc1c[nH+]cn1C1CC1 ZINC000091277086 180120089 /nfs/dbraw/zinc/12/00/89/180120089.db2.gz VPVDSUPBJGOYSR-CYBMUJFWSA-N 2 2 262.401 2.182 10 0 CEAELP COc1ccccc1N[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276636 180120441 /nfs/dbraw/zinc/12/04/41/180120441.db2.gz YYXZRZMEDYHEJX-ZDUSSCGKSA-N 2 2 272.352 2.339 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+](C)CC1CC(O)C1 ZINC000091451288 180158855 /nfs/dbraw/zinc/15/88/55/180158855.db2.gz RWKQDSBYUHVWLL-UCSXMVFBSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091451288 180158856 /nfs/dbraw/zinc/15/88/56/180158856.db2.gz RWKQDSBYUHVWLL-UCSXMVFBSA-N 2 2 280.387 2.307 10 0 CEAELP Cc1ccsc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091462843 180162623 /nfs/dbraw/zinc/16/26/23/180162623.db2.gz ZVWZWXOXNAWALJ-XVSSEFHLSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccsc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091462843 180162624 /nfs/dbraw/zinc/16/26/24/180162624.db2.gz ZVWZWXOXNAWALJ-XVSSEFHLSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)c1 ZINC000091464234 180163098 /nfs/dbraw/zinc/16/30/98/180163098.db2.gz AFJQEJWGUNJFOZ-QTISTPMNSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)c1 ZINC000091464234 180163100 /nfs/dbraw/zinc/16/31/00/180163100.db2.gz AFJQEJWGUNJFOZ-QTISTPMNSA-N 2 2 262.397 2.086 10 0 CEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464608 180163340 /nfs/dbraw/zinc/16/33/40/180163340.db2.gz DPGDRGJNNAGWGL-RTBKNWGFSA-N 2 2 274.817 2.104 10 0 CEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464608 180163341 /nfs/dbraw/zinc/16/33/41/180163341.db2.gz DPGDRGJNNAGWGL-RTBKNWGFSA-N 2 2 274.817 2.104 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000091402889 180147311 /nfs/dbraw/zinc/14/73/11/180147311.db2.gz IVZRVYAQLNYQKF-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP CC[C@@](C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608181 180204044 /nfs/dbraw/zinc/20/40/44/180204044.db2.gz PJFXVHGAYNFOMX-INIZCTEOSA-N 2 2 275.396 2.430 10 0 CEAELP C[NH2+][C@@H](Cc1ccccc1OC)C(C)(C)[NH+](C)C ZINC000091528849 180180524 /nfs/dbraw/zinc/18/05/24/180180524.db2.gz NAUQSLWGHMJNTA-AWEZNQCLSA-N 2 2 250.386 2.166 10 0 CEAELP CCN[C@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+](CC)CC ZINC000091531682 180180663 /nfs/dbraw/zinc/18/06/63/180180663.db2.gz JELLZRXBEUMMPR-OAHLLOKOSA-N 2 2 278.444 2.305 10 0 CEAELP Nc1cc[nH+]cc1[C@@H](N)C1([NH+]2CCCC2)CCCC1 ZINC000091640597 180213520 /nfs/dbraw/zinc/21/35/20/180213520.db2.gz FMMXSTHNOABYFF-CQSZACIVSA-N 2 2 260.385 2.072 10 0 CEAELP CC(C)CC[C@@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642831 180213979 /nfs/dbraw/zinc/21/39/79/180213979.db2.gz JOZCYUULHWAMBT-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+][C@H](C(C)(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000091643174 180214317 /nfs/dbraw/zinc/21/43/17/180214317.db2.gz REZYSQBZCDCWPS-CYBMUJFWSA-N 2 2 254.418 2.266 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662903 180220386 /nfs/dbraw/zinc/22/03/86/180220386.db2.gz BANGPAIGKWKSEC-HUUCEWRRSA-N 2 2 285.391 2.121 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662903 180220389 /nfs/dbraw/zinc/22/03/89/180220389.db2.gz BANGPAIGKWKSEC-HUUCEWRRSA-N 2 2 285.391 2.121 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccc(F)cc1F)C[NH+](C)C ZINC000091720090 180235181 /nfs/dbraw/zinc/23/51/81/180235181.db2.gz JMYDXYYMKJUMFN-ZDUSSCGKSA-N 2 2 256.340 2.437 10 0 CEAELP C[NH2+][C@H](c1csc(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721419 180238393 /nfs/dbraw/zinc/23/83/93/180238393.db2.gz VVMMUWKKKZQPGK-MGPQQGTHSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@H](c1csc(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721419 180238394 /nfs/dbraw/zinc/23/83/94/180238394.db2.gz VVMMUWKKKZQPGK-MGPQQGTHSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@@H](C)c1ccn(Cc2[nH+]ccn2C(F)F)c1 ZINC000091804665 180259964 /nfs/dbraw/zinc/25/99/64/180259964.db2.gz ZFSOOTBFEXSQTQ-VIFPVBQESA-N 2 2 254.284 2.408 10 0 CEAELP CC[NH2+][C@H](CC)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054157 180313293 /nfs/dbraw/zinc/31/32/93/180313293.db2.gz CFMZFUPOXKRWKR-GDBMZVCRSA-N 2 2 292.423 2.457 10 0 CEAELP CC[NH2+][C@H](CC)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054157 180313294 /nfs/dbraw/zinc/31/32/94/180313294.db2.gz CFMZFUPOXKRWKR-GDBMZVCRSA-N 2 2 292.423 2.457 10 0 CEAELP CCN(C[C@H]1C[N@H+](CC)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092051571 180313405 /nfs/dbraw/zinc/31/34/05/180313405.db2.gz PHDILQDKWXYKSO-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP CCN(C[C@H]1C[N@@H+](CC)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092051571 180313407 /nfs/dbraw/zinc/31/34/07/180313407.db2.gz PHDILQDKWXYKSO-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP C[N@@H+]1CCO[C@@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054499 180314154 /nfs/dbraw/zinc/31/41/54/180314154.db2.gz NXVZDLKPORGERF-MRXNPFEDSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054499 180314157 /nfs/dbraw/zinc/31/41/57/180314157.db2.gz NXVZDLKPORGERF-MRXNPFEDSA-N 2 2 292.423 2.284 10 0 CEAELP CC[NH+](CC)c1ccc(NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092055902 180314579 /nfs/dbraw/zinc/31/45/79/180314579.db2.gz PNGCAVGNNXJUGY-INIZCTEOSA-N 2 2 277.412 2.275 10 0 CEAELP CC[NH+](CC)c1ccc(NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092055902 180314580 /nfs/dbraw/zinc/31/45/80/180314580.db2.gz PNGCAVGNNXJUGY-INIZCTEOSA-N 2 2 277.412 2.275 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083401 180320114 /nfs/dbraw/zinc/32/01/14/180320114.db2.gz MGCGJBXZOJYSLL-VBQJREDUSA-N 2 2 284.407 2.460 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083401 180320117 /nfs/dbraw/zinc/32/01/17/180320117.db2.gz MGCGJBXZOJYSLL-VBQJREDUSA-N 2 2 284.407 2.460 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2C[NH2+]CC[NH+]1CCCCC1 ZINC000092300370 180358463 /nfs/dbraw/zinc/35/84/63/180358463.db2.gz RXXZZROOFLOVKC-AWEZNQCLSA-N 2 2 260.381 2.238 10 0 CEAELP C[N@H+](C/C=C/Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915979 186089399 /nfs/dbraw/zinc/08/93/99/186089399.db2.gz DJYMQKREUIJAMX-QHHAFSJGSA-N 2 2 282.819 2.032 10 0 CEAELP C[N@@H+](C/C=C/Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915979 186089401 /nfs/dbraw/zinc/08/94/01/186089401.db2.gz DJYMQKREUIJAMX-QHHAFSJGSA-N 2 2 282.819 2.032 10 0 CEAELP CCNc1cccc(CN2CCC[C@@H]2C[NH+](C)C)[nH+]1 ZINC000092370290 180370313 /nfs/dbraw/zinc/37/03/13/180370313.db2.gz QJOPRJXFGCFRNC-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CNc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000092370626 180370368 /nfs/dbraw/zinc/37/03/68/180370368.db2.gz VUXUVTJUAQMSOF-HNNXBMFYSA-N 2 2 274.412 2.184 10 0 CEAELP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897823 186086604 /nfs/dbraw/zinc/08/66/04/186086604.db2.gz CKRRZSMBIRKNET-QWHCGFSZSA-N 2 2 279.384 2.034 10 0 CEAELP CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897823 186086606 /nfs/dbraw/zinc/08/66/06/186086606.db2.gz CKRRZSMBIRKNET-QWHCGFSZSA-N 2 2 279.384 2.034 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977644 186338754 /nfs/dbraw/zinc/33/87/54/186338754.db2.gz KJTPVWLAYUYMKR-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977644 186338756 /nfs/dbraw/zinc/33/87/56/186338756.db2.gz KJTPVWLAYUYMKR-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CCOc1cc([NH2+]CC2CC[NH+](C)CC2)ccc1N ZINC000111054172 186348370 /nfs/dbraw/zinc/34/83/70/186348370.db2.gz FRTLEZKVAXNWEC-UHFFFAOYSA-N 2 2 263.385 2.421 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000111043496 186347443 /nfs/dbraw/zinc/34/74/43/186347443.db2.gz BPCVWRZZNHHNMC-AWEZNQCLSA-N 2 2 269.348 2.146 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CCC[NH+](C)C ZINC000111149258 186359079 /nfs/dbraw/zinc/35/90/79/186359079.db2.gz FOLRCWWJSDTVFP-UHFFFAOYSA-N 3 2 278.444 2.196 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@@H+]2CCOCC2(C)C)CCCOC1 ZINC000111327726 186399637 /nfs/dbraw/zinc/39/96/37/186399637.db2.gz UHUREOLRVGDSJY-QGZVFWFLSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@H+]2CCOCC2(C)C)CCCOC1 ZINC000111327726 186399639 /nfs/dbraw/zinc/39/96/39/186399639.db2.gz UHUREOLRVGDSJY-QGZVFWFLSA-N 2 2 298.471 2.282 10 0 CEAELP C[C@H]1C[NH2+]C[C@@H]1c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000111255805 186378966 /nfs/dbraw/zinc/37/89/66/186378966.db2.gz OAMHBSGDXQSVRV-UWVGGRQHSA-N 2 2 273.336 2.047 10 0 CEAELP CO[C@@H]1C[N@H+](CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361546 351712212 /nfs/dbraw/zinc/71/22/12/351712212.db2.gz JQNYBDBETMEDTM-ZFWWWQNUSA-N 2 2 280.437 2.217 10 0 CEAELP CO[C@@H]1C[N@@H+](CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361546 351712217 /nfs/dbraw/zinc/71/22/17/351712217.db2.gz JQNYBDBETMEDTM-ZFWWWQNUSA-N 2 2 280.437 2.217 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000122856574 187055864 /nfs/dbraw/zinc/05/58/64/187055864.db2.gz DVBNTDSDOLTXSM-OAHLLOKOSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000122856574 187055865 /nfs/dbraw/zinc/05/58/65/187055865.db2.gz DVBNTDSDOLTXSM-OAHLLOKOSA-N 2 2 287.411 2.499 10 0 CEAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000132846453 366174139 /nfs/dbraw/zinc/17/41/39/366174139.db2.gz GLSMQXABTJVXEH-CABCVRRESA-N 2 2 275.396 2.261 10 0 CEAELP CC[NH2+]CC1CCN(c2[nH+]c3ccccc3n2C)CC1 ZINC000079049236 363569677 /nfs/dbraw/zinc/56/96/77/363569677.db2.gz GQAZPFMHVCBJLZ-UHFFFAOYSA-N 2 2 272.396 2.399 10 0 CEAELP O[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151246048 366633693 /nfs/dbraw/zinc/63/36/93/366633693.db2.gz NYPHKYQIOAPBBQ-DOTOQJQBSA-N 2 2 292.398 2.249 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151267038 366634941 /nfs/dbraw/zinc/63/49/41/366634941.db2.gz KZXGHKSFYOFGKD-QWHCGFSZSA-N 2 2 268.426 2.246 10 0 CEAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000011848837 361366514 /nfs/dbraw/zinc/36/65/14/361366514.db2.gz MRZXMUDQTWUEOU-NSHDSACASA-N 2 2 266.142 2.346 10 0 CEAELP CCc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)C[NH3+])cc1 ZINC000026509469 361641452 /nfs/dbraw/zinc/64/14/52/361641452.db2.gz TYEKHRLTZKLKBN-INIZCTEOSA-N 2 2 288.391 2.164 10 0 CEAELP CCc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)C[NH3+])cc1 ZINC000026509469 361641455 /nfs/dbraw/zinc/64/14/55/361641455.db2.gz TYEKHRLTZKLKBN-INIZCTEOSA-N 2 2 288.391 2.164 10 0 CEAELP Cc1cccn2c(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)c[nH+]c12 ZINC000093437532 364181603 /nfs/dbraw/zinc/18/16/03/364181603.db2.gz GHXNWMDFEFMSMH-LSDHHAIUSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cccn2c(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c[nH+]c12 ZINC000093437532 364181605 /nfs/dbraw/zinc/18/16/05/364181605.db2.gz GHXNWMDFEFMSMH-LSDHHAIUSA-N 2 2 284.407 2.311 10 0 CEAELP O[C@H](C[NH2+][C@@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721935 189627611 /nfs/dbraw/zinc/62/76/11/189627611.db2.gz KECQZYCZENWYDY-UKRRQHHQSA-N 2 2 278.396 2.093 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844382 367585105 /nfs/dbraw/zinc/58/51/05/367585105.db2.gz IHBNTUYLIDVBSQ-CMPLNLGQSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844382 367585108 /nfs/dbraw/zinc/58/51/08/367585108.db2.gz IHBNTUYLIDVBSQ-CMPLNLGQSA-N 2 2 295.814 2.114 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1OC ZINC000358014239 370870658 /nfs/dbraw/zinc/87/06/58/370870658.db2.gz KHKFPUTXVBJTRG-DYEKYZERSA-N 2 2 278.396 2.305 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1OC ZINC000358014239 370870661 /nfs/dbraw/zinc/87/06/61/370870661.db2.gz KHKFPUTXVBJTRG-DYEKYZERSA-N 2 2 278.396 2.305 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000173345849 367898915 /nfs/dbraw/zinc/89/89/15/367898915.db2.gz POVUWTBLIZYLLJ-JSGCOSHPSA-N 2 2 298.377 2.462 10 0 CEAELP FC(F)COCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000189367384 369506309 /nfs/dbraw/zinc/50/63/09/369506309.db2.gz KGVDLCQGEYSETP-LBPRGKRZSA-N 2 2 285.338 2.097 10 0 CEAELP Brc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000226375802 370338298 /nfs/dbraw/zinc/33/82/98/370338298.db2.gz QWPSMQBNHTWXKH-MRVPVSSYSA-N 2 2 275.215 2.005 10 0 CEAELP C[N@H+](Cc1nc(-c2ccsc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231668486 370485911 /nfs/dbraw/zinc/48/59/11/370485911.db2.gz FUGBYHKUCCVDCM-LBPRGKRZSA-N 2 2 292.408 2.372 10 0 CEAELP C[N@@H+](Cc1nc(-c2ccsc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231668486 370485916 /nfs/dbraw/zinc/48/59/16/370485916.db2.gz FUGBYHKUCCVDCM-LBPRGKRZSA-N 2 2 292.408 2.372 10 0 CEAELP CCc1noc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246932001 371033290 /nfs/dbraw/zinc/03/32/90/371033290.db2.gz HCAJRUOZRNLYBQ-AAEUAGOBSA-N 2 2 289.383 2.363 10 0 CEAELP CCc1noc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246932001 371033294 /nfs/dbraw/zinc/03/32/94/371033294.db2.gz HCAJRUOZRNLYBQ-AAEUAGOBSA-N 2 2 289.383 2.363 10 0 CEAELP CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000247109376 371066281 /nfs/dbraw/zinc/06/62/81/371066281.db2.gz IXXLOUPXPPLRHR-HOTGVXAUSA-N 2 2 262.397 2.400 10 0 CEAELP CC[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000247109376 371066286 /nfs/dbraw/zinc/06/62/86/371066286.db2.gz IXXLOUPXPPLRHR-HOTGVXAUSA-N 2 2 262.397 2.400 10 0 CEAELP C[C@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000261541616 371639837 /nfs/dbraw/zinc/63/98/37/371639837.db2.gz KWOALOZTKIKJDO-GXFFZTMASA-N 2 2 299.212 2.107 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@H]1[NH3+] ZINC000261541616 371639842 /nfs/dbraw/zinc/63/98/42/371639842.db2.gz KWOALOZTKIKJDO-GXFFZTMASA-N 2 2 299.212 2.107 10 0 CEAELP Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261780876 371729757 /nfs/dbraw/zinc/72/97/57/371729757.db2.gz PKVUNKOTAVOBKE-CQSZACIVSA-N 2 2 286.379 2.044 10 0 CEAELP Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261780876 371729764 /nfs/dbraw/zinc/72/97/64/371729764.db2.gz PKVUNKOTAVOBKE-CQSZACIVSA-N 2 2 286.379 2.044 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261933955 371776758 /nfs/dbraw/zinc/77/67/58/371776758.db2.gz DAUYDCJIMHSENH-SCLBCKFNSA-N 2 2 298.434 2.327 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261933955 371776766 /nfs/dbraw/zinc/77/67/66/371776766.db2.gz DAUYDCJIMHSENH-SCLBCKFNSA-N 2 2 298.434 2.327 10 0 CEAELP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C[NH3+])n1 ZINC000262259636 371844357 /nfs/dbraw/zinc/84/43/57/371844357.db2.gz QZMSXQFIVNDWLY-WDEREUQCSA-N 2 2 266.389 2.223 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]2CC2CCCCC2)no1 ZINC000262277331 371845859 /nfs/dbraw/zinc/84/58/59/371845859.db2.gz UAMPPJICYQQJBM-CYBMUJFWSA-N 2 2 278.400 2.463 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)no1 ZINC000262277331 371845865 /nfs/dbraw/zinc/84/58/65/371845865.db2.gz UAMPPJICYQQJBM-CYBMUJFWSA-N 2 2 278.400 2.463 10 0 CEAELP FC1(F)CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000277119743 374409407 /nfs/dbraw/zinc/40/94/07/374409407.db2.gz NKLFDNSQWGZMQT-UHFFFAOYSA-N 2 2 267.323 2.438 10 0 CEAELP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170893 374741662 /nfs/dbraw/zinc/74/16/62/374741662.db2.gz CKTVDBSNFVPVJF-UKRRQHHQSA-N 2 2 280.412 2.394 10 0 CEAELP CCOc1cc(C[NH2+][C@H]2CC[N@H+](CC)C2)ccc1OC ZINC000389482610 375303457 /nfs/dbraw/zinc/30/34/57/375303457.db2.gz XRSJXVCMWCSPGJ-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000389482610 375303464 /nfs/dbraw/zinc/30/34/64/375303464.db2.gz XRSJXVCMWCSPGJ-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]12 ZINC000311992059 376698695 /nfs/dbraw/zinc/69/86/95/376698695.db2.gz SJFBYECETZLAKX-AEGPPILISA-N 2 2 253.349 2.408 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319730825 376817446 /nfs/dbraw/zinc/81/74/46/376817446.db2.gz VLWRYHWEWZMIDQ-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319730825 376817453 /nfs/dbraw/zinc/81/74/53/376817453.db2.gz VLWRYHWEWZMIDQ-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1C ZINC000313249231 249388354 /nfs/dbraw/zinc/38/83/54/249388354.db2.gz DKELBWIWIJXBPA-LLVKDONJSA-N 2 2 275.400 2.147 10 0 CEAELP Cc1nccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)n1 ZINC000093515869 184687090 /nfs/dbraw/zinc/68/70/90/184687090.db2.gz CRBYJKWIBMTNFO-OCCSQVGLSA-N 2 2 262.401 2.185 10 0 CEAELP CCn1cc[nH+]c1C[C@H](N)C1([NH+](C)C)CCCCC1 ZINC000094163615 184758277 /nfs/dbraw/zinc/75/82/77/184758277.db2.gz SVAQYKCQYKEQQX-ZDUSSCGKSA-N 2 2 264.417 2.037 10 0 CEAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@@](C)([NH3+])CO ZINC000085216376 135035634 /nfs/dbraw/zinc/03/56/34/135035634.db2.gz GCGOUNDEHSZOPP-MRXNPFEDSA-N 2 2 262.397 2.238 10 0 CEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@@](C)([NH3+])CO ZINC000085216376 135035635 /nfs/dbraw/zinc/03/56/35/135035635.db2.gz GCGOUNDEHSZOPP-MRXNPFEDSA-N 2 2 262.397 2.238 10 0 CEAELP C[C@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086676387 135048629 /nfs/dbraw/zinc/04/86/29/135048629.db2.gz TZJHAZKQNNNIDU-WMLDXEAASA-N 2 2 291.414 2.465 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@H](C(F)(F)F)C2)cc[nH+]1 ZINC000088416197 135054299 /nfs/dbraw/zinc/05/42/99/135054299.db2.gz KGDZHLRZIUMANQ-VIFPVBQESA-N 2 2 259.275 2.319 10 0 CEAELP Nc1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)c[nH+]1 ZINC000094272733 135086045 /nfs/dbraw/zinc/08/60/45/135086045.db2.gz AGABUDKEOMGQLQ-UHFFFAOYSA-N 2 2 289.770 2.039 10 0 CEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135008 394509426 /nfs/dbraw/zinc/50/94/26/394509426.db2.gz AGYHKWFBOPPCNZ-MCIONIFRSA-N 2 2 284.444 2.425 10 0 CEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135008 394509429 /nfs/dbraw/zinc/50/94/29/394509429.db2.gz AGYHKWFBOPPCNZ-MCIONIFRSA-N 2 2 284.444 2.425 10 0 CEAELP Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)nc[nH+]1 ZINC000154928145 395025015 /nfs/dbraw/zinc/02/50/15/395025015.db2.gz MZLXEHSMVKQBTA-ZDUSSCGKSA-N 2 2 260.385 2.238 10 0 CEAELP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)nc[nH+]1 ZINC000154928145 395025018 /nfs/dbraw/zinc/02/50/18/395025018.db2.gz MZLXEHSMVKQBTA-ZDUSSCGKSA-N 2 2 260.385 2.238 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180610060 395204928 /nfs/dbraw/zinc/20/49/28/395204928.db2.gz WCTKEGRLGUDCJA-CYBMUJFWSA-N 2 2 285.351 2.283 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000396558096 395216521 /nfs/dbraw/zinc/21/65/21/395216521.db2.gz IYQSUBPSDRWYSB-OUCADQQQSA-N 2 2 278.396 2.495 10 0 CEAELP CC[C@H]1C[N@H+](Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416536 396149273 /nfs/dbraw/zinc/14/92/73/396149273.db2.gz CYAUZVOWSWAYKJ-STQMWFEESA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416536 396149274 /nfs/dbraw/zinc/14/92/74/396149274.db2.gz CYAUZVOWSWAYKJ-STQMWFEESA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@H]1CN(Cc2[nH+]ccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416536 396149278 /nfs/dbraw/zinc/14/92/78/396149278.db2.gz CYAUZVOWSWAYKJ-STQMWFEESA-N 2 2 250.390 2.023 10 0 CEAELP FC(F)(F)c1cc[nH+]c(NCCC2CC[NH2+]CC2)c1 ZINC000650309944 400866847 /nfs/dbraw/zinc/86/68/47/400866847.db2.gz FVFNKASMAIABMA-UHFFFAOYSA-N 2 2 273.302 2.324 10 0 CEAELP Cc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000195515788 153292260 /nfs/dbraw/zinc/29/22/60/153292260.db2.gz ODOJJBLLTZAENN-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000195515788 153292265 /nfs/dbraw/zinc/29/22/65/153292265.db2.gz ODOJJBLLTZAENN-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)C12CCOCC2 ZINC000186230182 286492701 /nfs/dbraw/zinc/49/27/01/286492701.db2.gz VAKVSHNZSWGLCD-CVEARBPZSA-N 2 2 296.455 2.036 10 0 CEAELP C[N@H+](C[Si](C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171746308 162391168 /nfs/dbraw/zinc/39/11/68/162391168.db2.gz BEPBETXDEXVJHM-UHFFFAOYSA-N 2 2 294.519 2.157 10 0 CEAELP C[N@@H+](C[Si](C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171746308 162391169 /nfs/dbraw/zinc/39/11/69/162391169.db2.gz BEPBETXDEXVJHM-UHFFFAOYSA-N 2 2 294.519 2.157 10 0 CEAELP [NH3+]C[C@]1([NH+]2CCSCC2)CCCc2ccccc21 ZINC000020257101 171112013 /nfs/dbraw/zinc/11/20/13/171112013.db2.gz WZZBMODWKBWGPS-OAHLLOKOSA-N 2 2 262.422 2.226 10 0 CEAELP COc1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1F ZINC000022108514 171352863 /nfs/dbraw/zinc/35/28/63/171352863.db2.gz DAXOBJJGYGTFLP-LLVKDONJSA-N 2 2 252.333 2.191 10 0 CEAELP COc1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1F ZINC000022108514 171352862 /nfs/dbraw/zinc/35/28/62/171352862.db2.gz DAXOBJJGYGTFLP-LLVKDONJSA-N 2 2 252.333 2.191 10 0 CEAELP [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC000022218880 171376597 /nfs/dbraw/zinc/37/65/97/171376597.db2.gz LUCLYKZLDNVJPJ-LBPRGKRZSA-N 2 2 256.296 2.384 10 0 CEAELP CCC[NH2+]Cc1c(-n2cc[nH+]c2)nc2sccn12 ZINC000035430376 172198784 /nfs/dbraw/zinc/19/87/84/172198784.db2.gz ZLYATCJOMDEJNR-UHFFFAOYSA-N 2 2 261.354 2.081 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000037174528 173009139 /nfs/dbraw/zinc/00/91/39/173009139.db2.gz XSBJNBJWWATMSG-OLZOCXBDSA-N 2 2 254.374 2.263 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000037174528 173009141 /nfs/dbraw/zinc/00/91/41/173009141.db2.gz XSBJNBJWWATMSG-OLZOCXBDSA-N 2 2 254.374 2.263 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000037265854 173074982 /nfs/dbraw/zinc/07/49/82/173074982.db2.gz QFPLNQMZTVSTHM-LBPRGKRZSA-N 2 2 254.399 2.167 10 0 CEAELP C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000037413572 173190012 /nfs/dbraw/zinc/19/00/12/173190012.db2.gz OAGFITLLABWBJI-SMDDNHRTSA-N 2 2 250.411 2.363 10 0 CEAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044565 174052266 /nfs/dbraw/zinc/05/22/66/174052266.db2.gz IKGSWUHIGGAQTL-DLBZAZTESA-N 2 2 274.408 2.277 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000038044565 174052269 /nfs/dbraw/zinc/05/22/69/174052269.db2.gz IKGSWUHIGGAQTL-DLBZAZTESA-N 2 2 274.408 2.277 10 0 CEAELP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038090927 174104728 /nfs/dbraw/zinc/10/47/28/174104728.db2.gz IHJASVSATQNRAZ-NWDGAFQWSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000038090927 174104729 /nfs/dbraw/zinc/10/47/29/174104729.db2.gz IHJASVSATQNRAZ-NWDGAFQWSA-N 2 2 253.415 2.271 10 0 CEAELP CCOCCCn1c(CCC[NH3+])[nH+]c2ccccc21 ZINC000040163857 174196686 /nfs/dbraw/zinc/19/66/86/174196686.db2.gz FWQOAZRMUJVPNC-UHFFFAOYSA-N 2 2 261.369 2.354 10 0 CEAELP c1[nH]c2ccccc2c1CC[NH2+]CC[NH+]1CCCC1 ZINC000041328517 174525033 /nfs/dbraw/zinc/52/50/33/174525033.db2.gz FMKCTMZIBMIGGY-UHFFFAOYSA-N 2 2 257.381 2.396 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(OC)CC1 ZINC000043334789 175010809 /nfs/dbraw/zinc/01/08/09/175010809.db2.gz FOMZZAKDIRAYMZ-TZMCWYRMSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043338902 175013138 /nfs/dbraw/zinc/01/31/38/175013138.db2.gz ANYDRRHYQMWZAO-IIAWOOMASA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CCO ZINC000043338902 175013140 /nfs/dbraw/zinc/01/31/40/175013140.db2.gz ANYDRRHYQMWZAO-IIAWOOMASA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C(C)C ZINC000043365151 175026308 /nfs/dbraw/zinc/02/63/08/175026308.db2.gz BYPBSFOAMSFIET-TZMCWYRMSA-N 2 2 254.374 2.069 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C(C)C ZINC000043365151 175026310 /nfs/dbraw/zinc/02/63/10/175026310.db2.gz BYPBSFOAMSFIET-TZMCWYRMSA-N 2 2 254.374 2.069 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394434 175034700 /nfs/dbraw/zinc/03/47/00/175034700.db2.gz CBNPXLAMTDSKLL-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394434 175034701 /nfs/dbraw/zinc/03/47/01/175034701.db2.gz CBNPXLAMTDSKLL-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1 ZINC000043394188 175034912 /nfs/dbraw/zinc/03/49/12/175034912.db2.gz MOQPAOFPUAJJRA-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)c1 ZINC000043394188 175034914 /nfs/dbraw/zinc/03/49/14/175034914.db2.gz MOQPAOFPUAJJRA-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812219 175111044 /nfs/dbraw/zinc/11/10/44/175111044.db2.gz VSUDZEXNMLIKSM-CABCVRRESA-N 2 2 282.428 2.136 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884043 175116401 /nfs/dbraw/zinc/11/64/01/175116401.db2.gz PWLOGUKLHURVJH-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884043 175116402 /nfs/dbraw/zinc/11/64/02/175116402.db2.gz PWLOGUKLHURVJH-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000043914184 175124112 /nfs/dbraw/zinc/12/41/12/175124112.db2.gz UANSAQAYDKJZAJ-CBBWQLFWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000043914184 175124113 /nfs/dbraw/zinc/12/41/13/175124113.db2.gz UANSAQAYDKJZAJ-CBBWQLFWSA-N 2 2 254.418 2.406 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CC1CCCCC1)OCCO2 ZINC000043968233 175129970 /nfs/dbraw/zinc/12/99/70/175129970.db2.gz UPQXOEHFRHKSDH-HZPDHXFCSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CC1CCCCC1)OCCO2 ZINC000043968233 175129972 /nfs/dbraw/zinc/12/99/72/175129972.db2.gz UPQXOEHFRHKSDH-HZPDHXFCSA-N 2 2 296.455 2.382 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000043969661 175130529 /nfs/dbraw/zinc/13/05/29/175130529.db2.gz NODBVMLBYZXDED-BPLDGKMQSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000043969661 175130531 /nfs/dbraw/zinc/13/05/31/175130531.db2.gz NODBVMLBYZXDED-BPLDGKMQSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970162 175131595 /nfs/dbraw/zinc/13/15/95/175131595.db2.gz LUIOIRRKZJNHKE-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970162 175131597 /nfs/dbraw/zinc/13/15/97/175131597.db2.gz LUIOIRRKZJNHKE-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP Cc1ccc([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121175 175142687 /nfs/dbraw/zinc/14/26/87/175142687.db2.gz YNBFWYLPIUHJIR-KRWDZBQOSA-N 2 2 276.424 2.363 10 0 CEAELP Cc1ccc([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121175 175142688 /nfs/dbraw/zinc/14/26/88/175142688.db2.gz YNBFWYLPIUHJIR-KRWDZBQOSA-N 2 2 276.424 2.363 10 0 CEAELP CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557729 175202999 /nfs/dbraw/zinc/20/29/99/175202999.db2.gz GLUQMIXDUBGVTB-AWEZNQCLSA-N 2 2 278.396 2.277 10 0 CEAELP CCOc1ccc(OCC[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000044557729 175203001 /nfs/dbraw/zinc/20/30/01/175203001.db2.gz GLUQMIXDUBGVTB-AWEZNQCLSA-N 2 2 278.396 2.277 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367954 175362966 /nfs/dbraw/zinc/36/29/66/175362966.db2.gz FWJHXCSUIWYXQK-ZFWWWQNUSA-N 2 2 270.417 2.181 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1C)[NH2+]C(C)C ZINC000045367954 175362967 /nfs/dbraw/zinc/36/29/67/175362967.db2.gz FWJHXCSUIWYXQK-ZFWWWQNUSA-N 2 2 270.417 2.181 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C ZINC000045374949 175365657 /nfs/dbraw/zinc/36/56/57/175365657.db2.gz PKPVJTMIVCSKAE-HNNXBMFYSA-N 2 2 270.417 2.040 10 0 CEAELP CC[NH2+]C1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071044394 176029631 /nfs/dbraw/zinc/02/96/31/176029631.db2.gz WFXQQFGIBKRULV-QGZVFWFLSA-N 2 2 274.408 2.374 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([NH+]2CCC(OC)CC2)C1 ZINC000071123288 176035222 /nfs/dbraw/zinc/03/52/22/176035222.db2.gz IRHMWYYCUXQNNP-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000071162183 176046358 /nfs/dbraw/zinc/04/63/58/176046358.db2.gz DOCFDOHSQXWMTL-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP C[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069807 /nfs/dbraw/zinc/06/98/07/176069807.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069808 /nfs/dbraw/zinc/06/98/08/176069808.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069810 /nfs/dbraw/zinc/06/98/10/176069810.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069811 /nfs/dbraw/zinc/06/98/11/176069811.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191643 176070029 /nfs/dbraw/zinc/07/00/29/176070029.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 3 2 290.455 2.196 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191643 176070030 /nfs/dbraw/zinc/07/00/30/176070030.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 3 2 290.455 2.196 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191376 176070606 /nfs/dbraw/zinc/07/06/06/176070606.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191376 176070608 /nfs/dbraw/zinc/07/06/08/176070608.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191376 176070609 /nfs/dbraw/zinc/07/06/09/176070609.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191376 176070611 /nfs/dbraw/zinc/07/06/11/176070611.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191480 176070664 /nfs/dbraw/zinc/07/06/64/176070664.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191480 176070666 /nfs/dbraw/zinc/07/06/66/176070666.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191480 176070668 /nfs/dbraw/zinc/07/06/68/176070668.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191480 176070670 /nfs/dbraw/zinc/07/06/70/176070670.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000071192035 176072560 /nfs/dbraw/zinc/07/25/60/176072560.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000071192035 176072561 /nfs/dbraw/zinc/07/25/61/176072561.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192035 176072562 /nfs/dbraw/zinc/07/25/62/176072562.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192035 176072563 /nfs/dbraw/zinc/07/25/63/176072563.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP C(CCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110244 /nfs/dbraw/zinc/11/02/44/176110244.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 3 2 279.472 2.469 10 0 CEAELP C(CCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110246 /nfs/dbraw/zinc/11/02/46/176110246.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 3 2 279.472 2.469 10 0 CEAELP C(CCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110247 /nfs/dbraw/zinc/11/02/47/176110247.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 3 2 279.472 2.469 10 0 CEAELP C(CCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110249 /nfs/dbraw/zinc/11/02/49/176110249.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 3 2 279.472 2.469 10 0 CEAELP CCOC(=O)CCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000071293443 176111818 /nfs/dbraw/zinc/11/18/18/176111818.db2.gz CEKFRDDPUITZMV-OAHLLOKOSA-N 2 2 282.428 2.280 10 0 CEAELP CCOC(=O)CCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000071293443 176111819 /nfs/dbraw/zinc/11/18/19/176111819.db2.gz CEKFRDDPUITZMV-OAHLLOKOSA-N 2 2 282.428 2.280 10 0 CEAELP CCOC(=O)CCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071293443 176111821 /nfs/dbraw/zinc/11/18/21/176111821.db2.gz CEKFRDDPUITZMV-OAHLLOKOSA-N 2 2 282.428 2.280 10 0 CEAELP CCOC(=O)CCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071293443 176111822 /nfs/dbraw/zinc/11/18/22/176111822.db2.gz CEKFRDDPUITZMV-OAHLLOKOSA-N 2 2 282.428 2.280 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000071358256 176137193 /nfs/dbraw/zinc/13/71/93/176137193.db2.gz IQDSXMWSESIHTH-CQSZACIVSA-N 2 2 284.407 2.441 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071359746 176137796 /nfs/dbraw/zinc/13/77/96/176137796.db2.gz IWMNOKWNQJGNNJ-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071359746 176137799 /nfs/dbraw/zinc/13/77/99/176137799.db2.gz IWMNOKWNQJGNNJ-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP NC(=[NH2+])[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000079838566 177568033 /nfs/dbraw/zinc/56/80/33/177568033.db2.gz JPRMSUOJYVPSKK-JTQLQIEISA-N 2 2 253.296 2.113 10 0 CEAELP NC(=[NH2+])[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000079838566 177568034 /nfs/dbraw/zinc/56/80/34/177568034.db2.gz JPRMSUOJYVPSKK-JTQLQIEISA-N 2 2 253.296 2.113 10 0 CEAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)o1 ZINC000133588721 419432393 /nfs/dbraw/zinc/43/23/93/419432393.db2.gz FSTFFAXBTCQPES-KGYLQXTDSA-N 2 2 252.358 2.006 10 0 CEAELP Cc1nc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)sc1C ZINC000571651933 314100603 /nfs/dbraw/zinc/10/06/03/314100603.db2.gz IRGAMXVIDDMNBW-ZYHUDNBSSA-N 2 2 253.415 2.238 10 0 CEAELP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544077 519918879 /nfs/dbraw/zinc/91/88/79/519918879.db2.gz KDDAKPQTUKTEDU-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544077 519918884 /nfs/dbraw/zinc/91/88/84/519918884.db2.gz KDDAKPQTUKTEDU-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP CC(C)(C)[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000062738560 518762614 /nfs/dbraw/zinc/76/26/14/518762614.db2.gz KQZBEXPLIBXLGB-UHFFFAOYSA-N 2 2 269.352 2.408 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380298 519727724 /nfs/dbraw/zinc/72/77/24/519727724.db2.gz ZMOWKYPVMLYMJN-CHWSQXEVSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049197488 519793608 /nfs/dbraw/zinc/79/36/08/519793608.db2.gz YMSBPTYCASRPDW-QGZVFWFLSA-N 3 2 290.455 2.226 10 0 CEAELP CCC[NH2+]CC1(C[N@H+](C)Cc2ccccn2)CCOCC1 ZINC000052181766 519910235 /nfs/dbraw/zinc/91/02/35/519910235.db2.gz ZSLJRZRKLWCCRH-UHFFFAOYSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+](C)Cc2ccccn2)CCOCC1 ZINC000052181766 519910238 /nfs/dbraw/zinc/91/02/38/519910238.db2.gz ZSLJRZRKLWCCRH-UHFFFAOYSA-N 2 2 291.439 2.310 10 0 CEAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](CCCOC)CCOC ZINC000052543321 519948706 /nfs/dbraw/zinc/94/87/06/519948706.db2.gz MYRLYDOZTQFFNW-KRWDZBQOSA-N 2 2 294.439 2.322 10 0 CEAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](CCCOC)CCOC ZINC000052543321 519948713 /nfs/dbraw/zinc/94/87/13/519948713.db2.gz MYRLYDOZTQFFNW-KRWDZBQOSA-N 2 2 294.439 2.322 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1CC)C(=O)OC ZINC000068649421 520044702 /nfs/dbraw/zinc/04/47/02/520044702.db2.gz WFVKKOPPORCDAP-DOMZBBRYSA-N 2 2 281.400 2.328 10 0 CEAELP CC[NH2+][C@@H](CC[C@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069391981 520098306 /nfs/dbraw/zinc/09/83/06/520098306.db2.gz YFOPCKXYFYCWOY-QWHCGFSZSA-N 2 2 251.374 2.280 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000061270084 520170617 /nfs/dbraw/zinc/17/06/17/520170617.db2.gz LKYYNBVQQOKTIJ-CYBMUJFWSA-N 2 2 286.379 2.258 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)COC)cc1 ZINC000052920085 520417860 /nfs/dbraw/zinc/41/78/60/520417860.db2.gz RFSJSJKXXMKYOC-XJKSGUPXSA-N 2 2 280.412 2.442 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)COC)cc1 ZINC000052920085 520417862 /nfs/dbraw/zinc/41/78/62/520417862.db2.gz RFSJSJKXXMKYOC-XJKSGUPXSA-N 2 2 280.412 2.442 10 0 CEAELP CCOC(=O)[C@@](C)([NH3+])C[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641932 521157120 /nfs/dbraw/zinc/15/71/20/521157120.db2.gz UXFMABWWWAMFSQ-LRDDRELGSA-N 2 2 276.380 2.061 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)C[C@H](C)CC[C@@H]1C ZINC000068631362 521183252 /nfs/dbraw/zinc/18/32/52/521183252.db2.gz WBWKBEATBMMEEI-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)C[C@H](C)CC[C@@H]1C ZINC000068631362 521183256 /nfs/dbraw/zinc/18/32/56/521183256.db2.gz WBWKBEATBMMEEI-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631383 521358534 /nfs/dbraw/zinc/35/85/34/521358534.db2.gz XUBLNEDIYCQAIF-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631383 521358541 /nfs/dbraw/zinc/35/85/41/521358541.db2.gz XUBLNEDIYCQAIF-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP CCCn1cc[nH+]c1-c1cc(OC)c(OC)cc1C[NH3+] ZINC000069496117 521661799 /nfs/dbraw/zinc/66/17/99/521661799.db2.gz BIZVQYMYSKEZPB-UHFFFAOYSA-N 2 2 275.352 2.436 10 0 CEAELP CC[C@@H](C)[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068694492 522332039 /nfs/dbraw/zinc/33/20/39/522332039.db2.gz DMMGKEKVDRFZGY-HIFRSBDPSA-N 2 2 272.396 2.154 10 0 CEAELP CN(C)c1nc(N(CCC[NH3+])c2ccc(F)cc2)cc[nH+]1 ZINC000068689993 522360873 /nfs/dbraw/zinc/36/08/73/522360873.db2.gz NGTKACSITZLVBG-UHFFFAOYSA-N 2 2 289.358 2.169 10 0 CEAELP CCc1[nH+]c2cc(N)ccc2n1[C@H](C)C[NH+]1CCOCC1 ZINC000052854846 522485528 /nfs/dbraw/zinc/48/55/28/522485528.db2.gz PMZYEMHRAVNHBX-GFCCVEGCSA-N 2 2 288.395 2.074 10 0 CEAELP COC[C@](C)(C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053198579 522881929 /nfs/dbraw/zinc/88/19/29/522881929.db2.gz CXJPBJFXQGTWQB-GWCFXTLKSA-N 2 2 254.399 2.031 10 0 CEAELP COC[C@](C)(C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C ZINC000053198579 522881937 /nfs/dbraw/zinc/88/19/37/522881937.db2.gz CXJPBJFXQGTWQB-GWCFXTLKSA-N 2 2 254.399 2.031 10 0 CEAELP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C ZINC000068628387 523257879 /nfs/dbraw/zinc/25/78/79/523257879.db2.gz OFTQPCVKVIMYSR-HRCADAONSA-N 2 2 286.460 2.125 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@]1(C[NH3+])C[C@@H](C)CC[C@@H]1C ZINC000068628387 523257892 /nfs/dbraw/zinc/25/78/92/523257892.db2.gz OFTQPCVKVIMYSR-HRCADAONSA-N 2 2 286.460 2.125 10 0 CEAELP COC(=O)[C@@](C)(C[C@H](C)n1c[nH+]c(C)c1C)[NH2+]C(C)C ZINC000068650063 523817507 /nfs/dbraw/zinc/81/75/07/523817507.db2.gz QFSFHNAJIDUPFK-XHDPSFHLSA-N 2 2 281.400 2.381 10 0 CEAELP CC[C@H](C)[NH+]1CCN(Cc2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000055063493 523956245 /nfs/dbraw/zinc/95/62/45/523956245.db2.gz IBWVWKRPCQFTEW-LBPRGKRZSA-N 2 2 287.411 2.061 10 0 CEAELP C[NH+](C)C1CC[NH+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052477839 524040164 /nfs/dbraw/zinc/04/01/64/524040164.db2.gz SVKIWUXNVRIIOQ-UHFFFAOYSA-N 3 2 287.451 2.465 10 0 CEAELP C[NH+](C)C1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016026 524040909 /nfs/dbraw/zinc/04/09/09/524040909.db2.gz KLPLGXUEUZSEPK-INIZCTEOSA-N 3 2 261.413 2.103 10 0 CEAELP Cc1cc(C)c(C(N)=S)c(N[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000049186055 524246965 /nfs/dbraw/zinc/24/69/65/524246965.db2.gz FNVCCHJJCFBCIG-LBPRGKRZSA-N 2 2 292.452 2.229 10 0 CEAELP Cc1cccc(C2CC([NH2+]C[C@@H]3C[N@@H+](C)CCN3C)C2)c1 ZINC000068800954 524336415 /nfs/dbraw/zinc/33/64/15/524336415.db2.gz GUMZPNQNBLHQLA-DAWZGUTISA-N 2 2 287.451 2.076 10 0 CEAELP Cc1cccc(C2CC([NH2+]C[C@@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000068800954 524336426 /nfs/dbraw/zinc/33/64/26/524336426.db2.gz GUMZPNQNBLHQLA-DAWZGUTISA-N 2 2 287.451 2.076 10 0 CEAELP Cc1cccc(C[N@@H+](C)Cc2ccc[nH+]c2NN)c1 ZINC000052722949 524375880 /nfs/dbraw/zinc/37/58/80/524375880.db2.gz JBFUVWYKAPEVBA-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP Cc1cccc(C[N@H+](C)Cc2ccc[nH+]c2NN)c1 ZINC000052722949 524375893 /nfs/dbraw/zinc/37/58/93/524375893.db2.gz JBFUVWYKAPEVBA-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757636 525016639 /nfs/dbraw/zinc/01/66/39/525016639.db2.gz AXLVMUURHFPUFY-DAXOMENPSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757636 525016650 /nfs/dbraw/zinc/01/66/50/525016650.db2.gz AXLVMUURHFPUFY-DAXOMENPSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1c(C)n([C@H](C)CC[NH+](C)C)c2nc(C)[nH+]c(N)c12 ZINC000049559815 525687834 /nfs/dbraw/zinc/68/78/34/525687834.db2.gz SPBIJQPUSDZLHB-SECBINFHSA-N 2 2 275.400 2.451 10 0 CEAELP Cc1nc(C[NH2+]CC[C@H]2CCCC[N@H+]2C)cs1 ZINC000052205834 526888182 /nfs/dbraw/zinc/88/81/82/526888182.db2.gz MAJDOZBXGYUYFD-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1nc(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)cs1 ZINC000052205834 526888183 /nfs/dbraw/zinc/88/81/83/526888183.db2.gz MAJDOZBXGYUYFD-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP Nc1[nH+]c2c(cccc2F)n1CC[NH+]1CCCCC1 ZINC000049575357 527559484 /nfs/dbraw/zinc/55/94/84/527559484.db2.gz OYCIRBWRUVZLKE-UHFFFAOYSA-N 2 2 262.332 2.244 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccs1 ZINC000133468823 652630900 /nfs/dbraw/zinc/63/09/00/652630900.db2.gz DQMCXQPUTZIVAD-WOPDTQHZSA-N 2 2 254.399 2.166 10 0 CEAELP O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000037321166 343426759 /nfs/dbraw/zinc/42/67/59/343426759.db2.gz IMQVRBTZYANTST-GDBMZVCRSA-N 2 2 271.364 2.265 10 0 CEAELP CCOC(C[NH3+])(OCC)c1cc[nH+]c(NC(C)C)c1 ZINC000114540864 344280448 /nfs/dbraw/zinc/28/04/48/344280448.db2.gz BMAYDZQORFPELM-UHFFFAOYSA-N 2 2 267.373 2.086 10 0 CEAELP [NH3+]CC[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132277154 344362419 /nfs/dbraw/zinc/36/24/19/344362419.db2.gz PKFICMOPRJMTEI-QMMMGPOBSA-N 2 2 275.215 2.436 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435546 344373902 /nfs/dbraw/zinc/37/39/02/344373902.db2.gz CKKZADXQCIMLFQ-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435546 344373903 /nfs/dbraw/zinc/37/39/03/344373903.db2.gz CKKZADXQCIMLFQ-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328625300 344756106 /nfs/dbraw/zinc/75/61/06/344756106.db2.gz CYJPPMGBSGATPD-OAHLLOKOSA-N 2 2 297.406 2.356 10 0 CEAELP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328625300 344756109 /nfs/dbraw/zinc/75/61/09/344756109.db2.gz CYJPPMGBSGATPD-OAHLLOKOSA-N 2 2 297.406 2.356 10 0 CEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384331188 344828479 /nfs/dbraw/zinc/82/84/79/344828479.db2.gz ADKHKFCDPMGWCE-KFWWJZLASA-N 2 2 268.445 2.248 10 0 CEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384331188 344828481 /nfs/dbraw/zinc/82/84/81/344828481.db2.gz ADKHKFCDPMGWCE-KFWWJZLASA-N 2 2 268.445 2.248 10 0 CEAELP CCn1nccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128251533 187360289 /nfs/dbraw/zinc/36/02/89/187360289.db2.gz ISZLEJGPXABIGG-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1nccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128251533 187360290 /nfs/dbraw/zinc/36/02/90/187360290.db2.gz ISZLEJGPXABIGG-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP C[C@@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085454438 179067731 /nfs/dbraw/zinc/06/77/31/179067731.db2.gz QLEXDIBPCIYJRD-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[N@@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085454438 179067735 /nfs/dbraw/zinc/06/77/35/179067735.db2.gz QLEXDIBPCIYJRD-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[N@H+](CC2CCOCC2)C2(CCCCC2)C[NH2+]1 ZINC000085454507 179068069 /nfs/dbraw/zinc/06/80/69/179068069.db2.gz LZKITHKAKRGPHF-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[N@@H+](CC2CCOCC2)C2(CCCCC2)C[NH2+]1 ZINC000085454507 179068070 /nfs/dbraw/zinc/06/80/70/179068070.db2.gz LZKITHKAKRGPHF-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471592 179075988 /nfs/dbraw/zinc/07/59/88/179075988.db2.gz YJIYPTFQBLXQAB-ZFWWWQNUSA-N 2 2 252.402 2.018 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471592 179075991 /nfs/dbraw/zinc/07/59/91/179075991.db2.gz YJIYPTFQBLXQAB-ZFWWWQNUSA-N 2 2 252.402 2.018 10 0 CEAELP CCC1(CC)C[N@H+](C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519901 179087534 /nfs/dbraw/zinc/08/75/34/179087534.db2.gz KDGKZSDINFBTEG-ZDUSSCGKSA-N 2 2 254.418 2.408 10 0 CEAELP CCC1(CC)C[N@@H+](C[C@@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519901 179087536 /nfs/dbraw/zinc/08/75/36/179087536.db2.gz KDGKZSDINFBTEG-ZDUSSCGKSA-N 2 2 254.418 2.408 10 0 CEAELP COCCOCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515834 179087595 /nfs/dbraw/zinc/08/75/95/179087595.db2.gz YNJMRCUWMSHBCX-MRXNPFEDSA-N 2 2 296.455 2.036 10 0 CEAELP COCCOCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515834 179087596 /nfs/dbraw/zinc/08/75/96/179087596.db2.gz YNJMRCUWMSHBCX-MRXNPFEDSA-N 2 2 296.455 2.036 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516232 179088021 /nfs/dbraw/zinc/08/80/21/179088021.db2.gz XGKMIHKAKFVPKU-IAGOWNOFSA-N 2 2 288.439 2.126 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](CCn2cccn2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516232 179088023 /nfs/dbraw/zinc/08/80/23/179088023.db2.gz XGKMIHKAKFVPKU-IAGOWNOFSA-N 2 2 288.439 2.126 10 0 CEAELP CCOCC[N@@H+]1C[C@](C)(CC)[NH2+]CC12CCCC2 ZINC000085497065 179083761 /nfs/dbraw/zinc/08/37/61/179083761.db2.gz XUEDWKVIGWDXHM-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@](C)(CC)[NH2+]CC12CCCC2 ZINC000085497065 179083764 /nfs/dbraw/zinc/08/37/64/179083764.db2.gz XUEDWKVIGWDXHM-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085525088 179089881 /nfs/dbraw/zinc/08/98/81/179089881.db2.gz OGBTWKKKDPWDSJ-COXVUDFISA-N 2 2 290.455 2.290 10 0 CEAELP CCC1(CC)C[N@H+](Cc2ncccn2)[C@H](C)CC[NH2+]1 ZINC000085627844 179107120 /nfs/dbraw/zinc/10/71/20/179107120.db2.gz RHXOGAVUMPCFPK-CYBMUJFWSA-N 2 2 262.401 2.219 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2ncccn2)[C@H](C)CC[NH2+]1 ZINC000085627844 179107122 /nfs/dbraw/zinc/10/71/22/179107122.db2.gz RHXOGAVUMPCFPK-CYBMUJFWSA-N 2 2 262.401 2.219 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)n1 ZINC000085611250 179102450 /nfs/dbraw/zinc/10/24/50/179102450.db2.gz PAYZQMVTGVOTPD-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)n1 ZINC000085611250 179102452 /nfs/dbraw/zinc/10/24/52/179102452.db2.gz PAYZQMVTGVOTPD-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000085613885 179102469 /nfs/dbraw/zinc/10/24/69/179102469.db2.gz FNMKUJRZKSLDTE-AWEZNQCLSA-N 2 2 264.417 2.113 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000085613885 179102470 /nfs/dbraw/zinc/10/24/70/179102470.db2.gz FNMKUJRZKSLDTE-AWEZNQCLSA-N 2 2 264.417 2.113 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2C)C12CCCC2 ZINC000085680390 179113280 /nfs/dbraw/zinc/11/32/80/179113280.db2.gz KHGXWYPJDMTMNE-KGLIPLIRSA-N 2 2 277.412 2.290 10 0 CEAELP [NH3+][C@H](Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000085752809 179144325 /nfs/dbraw/zinc/14/43/25/179144325.db2.gz CMAIAFNKSCQNGS-MRXNPFEDSA-N 2 2 274.408 2.201 10 0 CEAELP CC[NH2+][C@@H](CCO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085922941 179201522 /nfs/dbraw/zinc/20/15/22/179201522.db2.gz NXALDQTUDCMEJQ-AWEZNQCLSA-N 2 2 254.418 2.003 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260984 179259973 /nfs/dbraw/zinc/25/99/73/179259973.db2.gz JHNMBRXMGZFNSD-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H](C)COC ZINC000086260984 179259974 /nfs/dbraw/zinc/25/99/74/179259974.db2.gz JHNMBRXMGZFNSD-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261095 179260111 /nfs/dbraw/zinc/26/01/11/179260111.db2.gz HEFIVWIXRPTKTQ-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261095 179260113 /nfs/dbraw/zinc/26/01/13/179260113.db2.gz HEFIVWIXRPTKTQ-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP C[NH+]1CCC([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086286972 179264588 /nfs/dbraw/zinc/26/45/88/179264588.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 3 2 265.445 2.079 10 0 CEAELP C[NH+]1CCC([N@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086286972 179264590 /nfs/dbraw/zinc/26/45/90/179264590.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 3 2 265.445 2.079 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)on1 ZINC000086292727 179266278 /nfs/dbraw/zinc/26/62/78/179266278.db2.gz IIMOTOUTHSDULN-CYBMUJFWSA-N 2 2 251.374 2.193 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)on1 ZINC000086292727 179266280 /nfs/dbraw/zinc/26/62/80/179266280.db2.gz IIMOTOUTHSDULN-CYBMUJFWSA-N 2 2 251.374 2.193 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](C[C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086292435 179266615 /nfs/dbraw/zinc/26/66/15/179266615.db2.gz ILNFCFAOQDCHGT-ZWKOTPCHSA-N 2 2 288.435 2.320 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)CCC[NH2+]2)cc1 ZINC000086292435 179266617 /nfs/dbraw/zinc/26/66/17/179266617.db2.gz ILNFCFAOQDCHGT-ZWKOTPCHSA-N 2 2 288.435 2.320 10 0 CEAELP C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000086296181 179267860 /nfs/dbraw/zinc/26/78/60/179267860.db2.gz NFZHIKWNGYNHRS-STQMWFEESA-N 2 2 250.361 2.441 10 0 CEAELP C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000086296181 179267862 /nfs/dbraw/zinc/26/78/62/179267862.db2.gz NFZHIKWNGYNHRS-STQMWFEESA-N 2 2 250.361 2.441 10 0 CEAELP CC(C)[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297945 179269171 /nfs/dbraw/zinc/26/91/71/179269171.db2.gz ZZQOXBKZEAIUPA-ZDUSSCGKSA-N 2 2 253.415 2.006 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297945 179269172 /nfs/dbraw/zinc/26/91/72/179269172.db2.gz ZZQOXBKZEAIUPA-ZDUSSCGKSA-N 2 2 253.415 2.006 10 0 CEAELP C[NH2+][C@H](Cc1cc(F)cc(Br)c1)C[NH+](C)C ZINC000086696413 179321158 /nfs/dbraw/zinc/32/11/58/179321158.db2.gz BGLNRIOPXVKYEB-GFCCVEGCSA-N 2 2 289.192 2.280 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086842257 179353663 /nfs/dbraw/zinc/35/36/63/179353663.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086842257 179353666 /nfs/dbraw/zinc/35/36/66/179353666.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875068 179364622 /nfs/dbraw/zinc/36/46/22/179364622.db2.gz PSWXQIRYORHVFS-HNNXBMFYSA-N 2 2 256.434 2.498 10 0 CEAELP CCC[N@@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851779 179358899 /nfs/dbraw/zinc/35/88/99/179358899.db2.gz RWIQTPXBVPRBMI-HNNXBMFYSA-N 2 2 280.416 2.417 10 0 CEAELP CCC[N@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851779 179358903 /nfs/dbraw/zinc/35/89/03/179358903.db2.gz RWIQTPXBVPRBMI-HNNXBMFYSA-N 2 2 280.416 2.417 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOCC2(C)C)CC1 ZINC000086890936 179366001 /nfs/dbraw/zinc/36/60/01/179366001.db2.gz ULCVQTRGYLPKQK-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOCC2(C)C)CC1 ZINC000086890936 179366003 /nfs/dbraw/zinc/36/60/03/179366003.db2.gz ULCVQTRGYLPKQK-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913310 179367408 /nfs/dbraw/zinc/36/74/08/179367408.db2.gz BQSFFYQTZQLDTC-HOCLYGCPSA-N 2 2 276.428 2.387 10 0 CEAELP CCC1CCC(O)(C[NH2+][C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000087052951 179388938 /nfs/dbraw/zinc/38/89/38/179388938.db2.gz HNYWEKHKOQAYPB-PCKAHOCUSA-N 2 2 268.445 2.390 10 0 CEAELP CCC1CCC(O)(C[NH2+][C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000087052951 179388939 /nfs/dbraw/zinc/38/89/39/179388939.db2.gz HNYWEKHKOQAYPB-PCKAHOCUSA-N 2 2 268.445 2.390 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627364 179458664 /nfs/dbraw/zinc/45/86/64/179458664.db2.gz JJHVHHQPCFQGAJ-LBPRGKRZSA-N 2 2 294.443 2.178 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616602061 348530861 /nfs/dbraw/zinc/53/08/61/348530861.db2.gz RLZZUXNYRJCYMH-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616602061 348530862 /nfs/dbraw/zinc/53/08/62/348530862.db2.gz RLZZUXNYRJCYMH-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP Nc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616612181 348534056 /nfs/dbraw/zinc/53/40/56/348534056.db2.gz VDUQAYJFYQKEAZ-OAHLLOKOSA-N 2 2 253.349 2.484 10 0 CEAELP Nc1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616612181 348534057 /nfs/dbraw/zinc/53/40/57/348534057.db2.gz VDUQAYJFYQKEAZ-OAHLLOKOSA-N 2 2 253.349 2.484 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616615794 348535205 /nfs/dbraw/zinc/53/52/05/348535205.db2.gz BIMHPMYVPJQGQT-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616615794 348535210 /nfs/dbraw/zinc/53/52/10/348535210.db2.gz BIMHPMYVPJQGQT-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cc3ccccc3cn2)CC1 ZINC000616619341 348536691 /nfs/dbraw/zinc/53/66/91/348536691.db2.gz HZUDONKFUYTRMJ-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP c1cn([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616664060 348554718 /nfs/dbraw/zinc/55/47/18/348554718.db2.gz MQHFWZDOJZVLKL-HNNXBMFYSA-N 2 2 257.337 2.304 10 0 CEAELP c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616664060 348554721 /nfs/dbraw/zinc/55/47/21/348554721.db2.gz MQHFWZDOJZVLKL-HNNXBMFYSA-N 2 2 257.337 2.304 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(CCO)cc1 ZINC000616692368 348562717 /nfs/dbraw/zinc/56/27/17/348562717.db2.gz ORDFOZAGYNCOQT-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc(CCO)cc1 ZINC000616692368 348562720 /nfs/dbraw/zinc/56/27/20/348562720.db2.gz ORDFOZAGYNCOQT-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000400456556 233179588 /nfs/dbraw/zinc/17/95/88/233179588.db2.gz SQMWCILNMTYXKD-SCRDCRAPSA-N 2 2 278.396 2.495 10 0 CEAELP CCn1c[nH+]cc1COc1c(C[NH2+]C)cccc1OC ZINC000090235471 179936853 /nfs/dbraw/zinc/93/68/53/179936853.db2.gz NTGQJTLQUKZXAK-UHFFFAOYSA-N 2 2 275.352 2.210 10 0 CEAELP CC[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1C1CC1 ZINC000090237833 179937874 /nfs/dbraw/zinc/93/78/74/179937874.db2.gz ZUTRHZYNQGTFKM-AWEZNQCLSA-N 2 2 262.401 2.182 10 0 CEAELP CC[NH2+][C@@H]1COC[C@@H]1c1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000090472726 179989243 /nfs/dbraw/zinc/98/92/43/179989243.db2.gz OIADMWLDQBLSCS-SMDDNHRTSA-N 2 2 259.353 2.272 10 0 CEAELP COC(C[C@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C)OC ZINC000090625191 180015867 /nfs/dbraw/zinc/01/58/67/180015867.db2.gz QUDPDPMZAYOAMR-GFCCVEGCSA-N 2 2 286.441 2.295 10 0 CEAELP COC(C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C)OC ZINC000090625191 180015869 /nfs/dbraw/zinc/01/58/69/180015869.db2.gz QUDPDPMZAYOAMR-GFCCVEGCSA-N 2 2 286.441 2.295 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893493 180055020 /nfs/dbraw/zinc/05/50/20/180055020.db2.gz HOSLMAXNFTZBES-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893493 180055023 /nfs/dbraw/zinc/05/50/23/180055023.db2.gz HOSLMAXNFTZBES-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[N@@H+]1CCCC[C@@H]1C[NH3+])O2 ZINC000090898912 180058434 /nfs/dbraw/zinc/05/84/34/180058434.db2.gz QVWJLFPACGGOOR-CABCVRRESA-N 2 2 260.381 2.112 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[N@H+]1CCCC[C@@H]1C[NH3+])O2 ZINC000090898912 180058436 /nfs/dbraw/zinc/05/84/36/180058436.db2.gz QVWJLFPACGGOOR-CABCVRRESA-N 2 2 260.381 2.112 10 0 CEAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900058 180058761 /nfs/dbraw/zinc/05/87/61/180058761.db2.gz MCUZNJKXJUBTSE-STQMWFEESA-N 2 2 266.772 2.067 10 0 CEAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900058 180058763 /nfs/dbraw/zinc/05/87/63/180058763.db2.gz MCUZNJKXJUBTSE-STQMWFEESA-N 2 2 266.772 2.067 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907879 180062431 /nfs/dbraw/zinc/06/24/31/180062431.db2.gz TXYRQTCATHJAQF-GASCZTMLSA-N 2 2 278.396 2.388 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907879 180062433 /nfs/dbraw/zinc/06/24/33/180062433.db2.gz TXYRQTCATHJAQF-GASCZTMLSA-N 2 2 278.396 2.388 10 0 CEAELP CC(=O)Nc1ccsc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000090960112 180075290 /nfs/dbraw/zinc/07/52/90/180075290.db2.gz ODTSXBPOZJOBDS-SNVBAGLBSA-N 2 2 278.381 2.081 10 0 CEAELP CC[NH2+]Cc1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091003142 180083833 /nfs/dbraw/zinc/08/38/33/180083833.db2.gz ABSLWUDSHNLBCN-UHFFFAOYSA-N 2 2 254.337 2.294 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091322693 180134503 /nfs/dbraw/zinc/13/45/03/180134503.db2.gz CKLFGDMMQHEEHN-ARFHVFGLSA-N 2 2 295.471 2.084 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091322693 180134504 /nfs/dbraw/zinc/13/45/04/180134504.db2.gz CKLFGDMMQHEEHN-ARFHVFGLSA-N 2 2 295.471 2.084 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H]([NH2+]C1CCCCCC1)C(N)=O ZINC000091272620 180118189 /nfs/dbraw/zinc/11/81/89/180118189.db2.gz SMKHEIKXTLENQB-CQSZACIVSA-N 2 2 278.400 2.303 10 0 CEAELP CN(Cc1ccccc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276192 180119580 /nfs/dbraw/zinc/11/95/80/180119580.db2.gz BKBUEQGKBMFXLP-HNNXBMFYSA-N 2 2 270.380 2.350 10 0 CEAELP C[N@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460938 180161804 /nfs/dbraw/zinc/16/18/04/180161804.db2.gz GQSQVRJYPYMZRI-UZANAETPSA-N 2 2 268.788 2.043 10 0 CEAELP C[N@@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460938 180161806 /nfs/dbraw/zinc/16/18/06/180161806.db2.gz GQSQVRJYPYMZRI-UZANAETPSA-N 2 2 268.788 2.043 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463314 180162672 /nfs/dbraw/zinc/16/26/72/180162672.db2.gz VTOQRJAUUBRGGB-YQEWQEHLSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1C)[N@@H+](C)CC1CC(O)C1 ZINC000091463314 180162675 /nfs/dbraw/zinc/16/26/75/180162675.db2.gz VTOQRJAUUBRGGB-YQEWQEHLSA-N 2 2 276.424 2.476 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000091402887 180147562 /nfs/dbraw/zinc/14/75/62/180147562.db2.gz IVZRVYAQLNYQKF-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CCn1ncnc1C[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091610058 180205964 /nfs/dbraw/zinc/20/59/64/180205964.db2.gz RWYVQABUXGQXIV-GDBMZVCRSA-N 2 2 293.459 2.083 10 0 CEAELP CCc1nn(C)c(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533757 180181480 /nfs/dbraw/zinc/18/14/80/180181480.db2.gz RRORIIPVIRONTP-ZDUSSCGKSA-N 2 2 298.862 2.380 10 0 CEAELP CCCn1ncnc1C[C@@H]([NH2+]CC)C(C)(C)[NH+]1CCCC1 ZINC000091535841 180182535 /nfs/dbraw/zinc/18/25/35/180182535.db2.gz YBQOAWGUDGMSKN-CQSZACIVSA-N 2 2 293.459 2.083 10 0 CEAELP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640885 180213480 /nfs/dbraw/zinc/21/34/80/180213480.db2.gz BZWKMKFRACBTTQ-INIZCTEOSA-N 3 2 288.439 2.203 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCCC1 ZINC000091647773 180215298 /nfs/dbraw/zinc/21/52/98/180215298.db2.gz KINFUBMSOLUHJY-MRXNPFEDSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662340 180219413 /nfs/dbraw/zinc/21/94/13/180219413.db2.gz UYJRFQRZAJLNPT-OIISXLGYSA-N 2 2 290.407 2.296 10 0 CEAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662340 180219416 /nfs/dbraw/zinc/21/94/16/180219416.db2.gz UYJRFQRZAJLNPT-OIISXLGYSA-N 2 2 290.407 2.296 10 0 CEAELP CC[NH2+][C@H](Cc1c(Cl)c(CC)nn1CC)C[NH+](C)C ZINC000091719845 180234328 /nfs/dbraw/zinc/23/43/28/180234328.db2.gz LHWCSPQJLPAYIV-LLVKDONJSA-N 2 2 286.851 2.201 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721511 180238853 /nfs/dbraw/zinc/23/88/53/180238853.db2.gz BCSJASNYULCCIC-KBRIMQKVSA-N 2 2 290.407 2.127 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721511 180238857 /nfs/dbraw/zinc/23/88/57/180238857.db2.gz BCSJASNYULCCIC-KBRIMQKVSA-N 2 2 290.407 2.127 10 0 CEAELP CC[NH2+][C@H](c1ccn(CCn2cc[nH+]c2)c1)C1CC1 ZINC000091837965 180267972 /nfs/dbraw/zinc/26/79/72/180267972.db2.gz DQVCQSTVAYVBPB-HNNXBMFYSA-N 2 2 258.369 2.445 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091926165 180287533 /nfs/dbraw/zinc/28/75/33/180287533.db2.gz POMMJZBAZYRXIS-IAGOWNOFSA-N 2 2 285.391 2.169 10 0 CEAELP CCCn1c[nH+]cc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926350 180287736 /nfs/dbraw/zinc/28/77/36/180287736.db2.gz QKJCZZXURQAOOW-DLBZAZTESA-N 2 2 285.391 2.169 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@@]1(C[NH3+])CC[C@@H](C)C1 ZINC000091926493 180287275 /nfs/dbraw/zinc/28/72/75/180287275.db2.gz LBIOBSVUBVOWGJ-BNOWGMLFSA-N 2 2 251.374 2.263 10 0 CEAELP CC[NH+](CC)c1ccc(NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092055901 180314333 /nfs/dbraw/zinc/31/43/33/180314333.db2.gz PNGCAVGNNXJUGY-MRXNPFEDSA-N 2 2 277.412 2.275 10 0 CEAELP CC[NH+](CC)c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092055901 180314334 /nfs/dbraw/zinc/31/43/34/180314334.db2.gz PNGCAVGNNXJUGY-MRXNPFEDSA-N 2 2 277.412 2.275 10 0 CEAELP CC[C@]1(C)C[C@](C[NH3+])([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082707 180319971 /nfs/dbraw/zinc/31/99/71/180319971.db2.gz MCHOLMAXZVCHCU-LXTVHRRPSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@]1(C)C[C@](C[NH3+])([N@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082707 180319973 /nfs/dbraw/zinc/31/99/73/180319973.db2.gz MCHOLMAXZVCHCU-LXTVHRRPSA-N 2 2 254.418 2.251 10 0 CEAELP c1ccc2c(c1)SC[C@@H]2C[NH2+]CCC[NH+]1CCOCC1 ZINC000092274801 180356213 /nfs/dbraw/zinc/35/62/13/180356213.db2.gz ZRVGSUSIOJQWEV-AWEZNQCLSA-N 2 2 292.448 2.188 10 0 CEAELP c1cn(CC[NH2+]C[C@@H]2CSc3ccccc32)c[nH+]1 ZINC000092275064 180356270 /nfs/dbraw/zinc/35/62/70/180356270.db2.gz ITTBEVFJFXFZCF-GFCCVEGCSA-N 2 2 259.378 2.362 10 0 CEAELP CC[NH+](CC)[C@@H]1CCN(Cc2cccc(NC)[nH+]2)C1 ZINC000092370594 180369707 /nfs/dbraw/zinc/36/97/07/180369707.db2.gz GWTORIFGOTXEKK-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOC)C1 ZINC000105897573 186085343 /nfs/dbraw/zinc/08/53/43/186085343.db2.gz DHTUDJNWJZKURE-ZDUSSCGKSA-N 2 2 251.374 2.119 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOC)C1 ZINC000105897573 186085345 /nfs/dbraw/zinc/08/53/45/186085345.db2.gz DHTUDJNWJZKURE-ZDUSSCGKSA-N 2 2 251.374 2.119 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417127 180381399 /nfs/dbraw/zinc/38/13/99/180381399.db2.gz XWAYVMDATOSTBN-LLVKDONJSA-N 2 2 253.777 2.166 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417127 180381402 /nfs/dbraw/zinc/38/14/02/180381402.db2.gz XWAYVMDATOSTBN-LLVKDONJSA-N 2 2 253.777 2.166 10 0 CEAELP CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1[N@H+](C)CCOC ZINC000092385708 180373925 /nfs/dbraw/zinc/37/39/25/180373925.db2.gz XQOFVVFOVTTYMD-IRXDYDNUSA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000092385708 180373927 /nfs/dbraw/zinc/37/39/27/180373927.db2.gz XQOFVVFOVTTYMD-IRXDYDNUSA-N 2 2 292.423 2.239 10 0 CEAELP CCC[C@H](C[NH3+])N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000109461762 186254255 /nfs/dbraw/zinc/25/42/55/186254255.db2.gz JUGMOPLCTPZYES-OAHLLOKOSA-N 2 2 297.393 2.210 10 0 CEAELP CCC[N@H+](Cc1ccc(OC)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938327 186335039 /nfs/dbraw/zinc/33/50/39/186335039.db2.gz ODWHHNFSQAANAR-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(OC)c(O)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938327 186335041 /nfs/dbraw/zinc/33/50/41/186335041.db2.gz ODWHHNFSQAANAR-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CCCC1(C(=O)Nc2cc[nH+]cc2C)CC[NH2+]CC1 ZINC000111043692 186347403 /nfs/dbraw/zinc/34/74/03/186347403.db2.gz ZPUZUHYOLCGFBQ-UHFFFAOYSA-N 2 2 261.369 2.498 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154617 186361039 /nfs/dbraw/zinc/36/10/39/186361039.db2.gz BCSQAZUBAGCSNV-KEYYUXOJSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154617 186361041 /nfs/dbraw/zinc/36/10/41/186361041.db2.gz BCSQAZUBAGCSNV-KEYYUXOJSA-N 2 2 292.423 2.442 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160978 186361740 /nfs/dbraw/zinc/36/17/40/186361740.db2.gz ULNOWCDWQLAUEB-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160978 186361741 /nfs/dbraw/zinc/36/17/41/186361741.db2.gz ULNOWCDWQLAUEB-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111156436 186362651 /nfs/dbraw/zinc/36/26/51/186362651.db2.gz PMUKFHRLHKZBNX-SMDDNHRTSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111156436 186362653 /nfs/dbraw/zinc/36/26/53/186362653.db2.gz PMUKFHRLHKZBNX-SMDDNHRTSA-N 2 2 252.358 2.026 10 0 CEAELP C[NH2+]CC1(C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000111148038 186359585 /nfs/dbraw/zinc/35/95/85/186359585.db2.gz OATVSEUNWWDEFI-UHFFFAOYSA-N 3 2 255.450 2.040 10 0 CEAELP C[NH2+]CC1(C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000111148038 186359587 /nfs/dbraw/zinc/35/95/87/186359587.db2.gz OATVSEUNWWDEFI-UHFFFAOYSA-N 3 2 255.450 2.040 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154943 186360326 /nfs/dbraw/zinc/36/03/26/186360326.db2.gz MKILUPZQWPGNAL-SGMGOOAPSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154943 186360327 /nfs/dbraw/zinc/36/03/27/186360327.db2.gz MKILUPZQWPGNAL-SGMGOOAPSA-N 2 2 252.358 2.026 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325565 186398070 /nfs/dbraw/zinc/39/80/70/186398070.db2.gz OJKYJTFJPCDFOB-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325565 186398071 /nfs/dbraw/zinc/39/80/71/186398071.db2.gz OJKYJTFJPCDFOB-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000070141791 363035141 /nfs/dbraw/zinc/03/51/41/363035141.db2.gz PQJLWXFAMHIQTN-CQSZACIVSA-N 2 2 278.396 2.325 10 0 CEAELP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000070141791 363035144 /nfs/dbraw/zinc/03/51/44/363035144.db2.gz PQJLWXFAMHIQTN-CQSZACIVSA-N 2 2 278.396 2.325 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364813 351712953 /nfs/dbraw/zinc/71/29/53/351712953.db2.gz WCEBKNFAEVKZPC-HOTGVXAUSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364813 351712955 /nfs/dbraw/zinc/71/29/55/351712955.db2.gz WCEBKNFAEVKZPC-HOTGVXAUSA-N 2 2 262.397 2.242 10 0 CEAELP [NH3+]C[C@H]1CN(c2cccc[nH+]2)CC[C@H]1C(F)(F)F ZINC000630529841 351773597 /nfs/dbraw/zinc/77/35/97/351773597.db2.gz XBULQOPXGYVXCR-VHSXEESVSA-N 2 2 259.275 2.045 10 0 CEAELP [NH3+][C@H]1CCC[C@@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)C1 ZINC000070574541 363097297 /nfs/dbraw/zinc/09/72/97/363097297.db2.gz FPFNCVGQJAVRBD-OLZOCXBDSA-N 2 2 284.363 2.328 10 0 CEAELP C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000237493464 539852793 /nfs/dbraw/zinc/85/27/93/539852793.db2.gz AJGWMZZZGOQRFT-CYBMUJFWSA-N 2 2 298.390 2.321 10 0 CEAELP CC(C)[C@@H]([NH3+])CCN(C)c1[nH+]c2ccccc2n1C ZINC000133649242 366243713 /nfs/dbraw/zinc/24/37/13/366243713.db2.gz RDZGGIGKMPWUDM-LBPRGKRZSA-N 2 2 260.385 2.383 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314757 540351021 /nfs/dbraw/zinc/35/10/21/540351021.db2.gz GMPWOZIVXYUUER-MRXNPFEDSA-N 2 2 255.365 2.419 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314757 540351024 /nfs/dbraw/zinc/35/10/24/540351024.db2.gz GMPWOZIVXYUUER-MRXNPFEDSA-N 2 2 255.365 2.419 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954151 540649388 /nfs/dbraw/zinc/64/93/88/540649388.db2.gz LMAHXKFIGJWOKP-XJKSGUPXSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954151 540649389 /nfs/dbraw/zinc/64/93/89/540649389.db2.gz LMAHXKFIGJWOKP-XJKSGUPXSA-N 2 2 297.443 2.198 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178751241 189143030 /nfs/dbraw/zinc/14/30/30/189143030.db2.gz HVWRLGQJBZYIII-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1cccnc1 ZINC000178751241 189143031 /nfs/dbraw/zinc/14/30/31/189143031.db2.gz HVWRLGQJBZYIII-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000182135206 189315127 /nfs/dbraw/zinc/31/51/27/189315127.db2.gz OHMLTSWYPJCXCT-ZIAGYGMSSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000182135206 189315128 /nfs/dbraw/zinc/31/51/28/189315128.db2.gz OHMLTSWYPJCXCT-ZIAGYGMSSA-N 2 2 288.395 2.481 10 0 CEAELP CC(C)C[N@@H+]1CCC[C@H]1CNc1nc(N(C)C)cc[nH+]1 ZINC000301855197 201234407 /nfs/dbraw/zinc/23/44/07/201234407.db2.gz QXRLUZFPUVTKSF-ZDUSSCGKSA-N 2 2 277.416 2.075 10 0 CEAELP CC(C)C[N@H+]1CCC[C@H]1CNc1nc(N(C)C)cc[nH+]1 ZINC000301855197 201234410 /nfs/dbraw/zinc/23/44/10/201234410.db2.gz QXRLUZFPUVTKSF-ZDUSSCGKSA-N 2 2 277.416 2.075 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843015 367585920 /nfs/dbraw/zinc/58/59/20/367585920.db2.gz IKRGJDDLMGGDEL-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843015 367585925 /nfs/dbraw/zinc/58/59/25/367585925.db2.gz IKRGJDDLMGGDEL-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000231668277 370485994 /nfs/dbraw/zinc/48/59/94/370485994.db2.gz OLNCERVDFJHJGI-MRXNPFEDSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1C ZINC000231668277 370486000 /nfs/dbraw/zinc/48/60/00/370486000.db2.gz OLNCERVDFJHJGI-MRXNPFEDSA-N 2 2 289.423 2.316 10 0 CEAELP C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670423 370486548 /nfs/dbraw/zinc/48/65/48/370486548.db2.gz LXIDMBGKLODWEF-LBPRGKRZSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670423 370486557 /nfs/dbraw/zinc/48/65/57/370486557.db2.gz LXIDMBGKLODWEF-LBPRGKRZSA-N 2 2 295.814 2.352 10 0 CEAELP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000247032231 371050701 /nfs/dbraw/zinc/05/07/01/371050701.db2.gz MLKQGMSKGRMWIF-ZWNOBZJWSA-N 2 2 275.356 2.109 10 0 CEAELP Cc1nnc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000247032231 371050709 /nfs/dbraw/zinc/05/07/09/371050709.db2.gz MLKQGMSKGRMWIF-ZWNOBZJWSA-N 2 2 275.356 2.109 10 0 CEAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000250284228 371382249 /nfs/dbraw/zinc/38/22/49/371382249.db2.gz JHSKMEOJHSOGBN-IIAWOOMASA-N 2 2 292.423 2.339 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695771 371703742 /nfs/dbraw/zinc/70/37/42/371703742.db2.gz BIKQNICHZZKCAU-GDBMZVCRSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695771 371703747 /nfs/dbraw/zinc/70/37/47/371703747.db2.gz BIKQNICHZZKCAU-GDBMZVCRSA-N 3 2 276.428 2.082 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000261931335 371774819 /nfs/dbraw/zinc/77/48/19/371774819.db2.gz CTSHTEHSSWAHJB-MFKMUULPSA-N 2 2 288.313 2.407 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000261931335 371774823 /nfs/dbraw/zinc/77/48/23/371774823.db2.gz CTSHTEHSSWAHJB-MFKMUULPSA-N 2 2 288.313 2.407 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262012326 371799639 /nfs/dbraw/zinc/79/96/39/371799639.db2.gz MJDBBFMSEQDJHA-DOMZBBRYSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000262012326 371799644 /nfs/dbraw/zinc/79/96/44/371799644.db2.gz MJDBBFMSEQDJHA-DOMZBBRYSA-N 2 2 270.380 2.164 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc(C)[nH+]1 ZINC000272916984 373710855 /nfs/dbraw/zinc/71/08/55/373710855.db2.gz SMHOXDCVSVCAMN-RISCZKNCSA-N 2 2 260.385 2.020 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nc(C)[nH+]1 ZINC000272916984 373710864 /nfs/dbraw/zinc/71/08/64/373710864.db2.gz SMHOXDCVSVCAMN-RISCZKNCSA-N 2 2 260.385 2.020 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000382045956 375183354 /nfs/dbraw/zinc/18/33/54/375183354.db2.gz VODLJHZUDZMAHQ-HIFRSBDPSA-N 2 2 253.349 2.423 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448722 376849926 /nfs/dbraw/zinc/84/99/26/376849926.db2.gz COVSKAMFCOESCS-CHWSQXEVSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448722 376849930 /nfs/dbraw/zinc/84/99/30/376849930.db2.gz COVSKAMFCOESCS-CHWSQXEVSA-N 2 2 278.396 2.449 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccnc1 ZINC000328640210 376869392 /nfs/dbraw/zinc/86/93/92/376869392.db2.gz PWASFSWKICPAFG-HOCLYGCPSA-N 2 2 271.364 2.457 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccco2)[C@@H]1c1cccnc1 ZINC000328640210 376869399 /nfs/dbraw/zinc/86/93/99/376869399.db2.gz PWASFSWKICPAFG-HOCLYGCPSA-N 2 2 271.364 2.457 10 0 CEAELP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000300048385 379151976 /nfs/dbraw/zinc/15/19/76/379151976.db2.gz JKLFJAAFXZZPAZ-GXFFZTMASA-N 2 2 299.212 2.107 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000300048385 379151980 /nfs/dbraw/zinc/15/19/80/379151980.db2.gz JKLFJAAFXZZPAZ-GXFFZTMASA-N 2 2 299.212 2.107 10 0 CEAELP CCC[NH2+][C@@H](CC1CC1)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093928474 184744539 /nfs/dbraw/zinc/74/45/39/184744539.db2.gz MDQFXBYCCNUARG-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@@H](CC1CC1)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093928474 184744540 /nfs/dbraw/zinc/74/45/40/184744540.db2.gz MDQFXBYCCNUARG-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H](Cc1csc(C)n1)Cc1[nH+]ccn1CC ZINC000094159605 184757100 /nfs/dbraw/zinc/75/71/00/184757100.db2.gz KKCZJVPSXKYZMJ-LBPRGKRZSA-N 2 2 278.425 2.431 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000400359867 533554774 /nfs/dbraw/zinc/55/47/74/533554774.db2.gz CRHPZHKVFDCHFK-KGLIPLIRSA-N 2 2 274.412 2.482 10 0 CEAELP OC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089490406 135059195 /nfs/dbraw/zinc/05/91/95/135059195.db2.gz XUGIMVFFTAHACC-LSDHHAIUSA-N 2 2 289.423 2.049 10 0 CEAELP [NH3+][C@@H]1Cc2ccccc2N(Cc2c[nH+]cn2C2CC2)C1 ZINC000090237687 135062953 /nfs/dbraw/zinc/06/29/53/135062953.db2.gz UJWBYCKXJNQSFA-CYBMUJFWSA-N 2 2 268.364 2.108 10 0 CEAELP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248963412 394550253 /nfs/dbraw/zinc/55/02/53/394550253.db2.gz BJWJADPSJNLSDW-QLFBSQMISA-N 2 2 275.396 2.383 10 0 CEAELP C[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248963412 394550257 /nfs/dbraw/zinc/55/02/57/394550257.db2.gz BJWJADPSJNLSDW-QLFBSQMISA-N 2 2 275.396 2.383 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132412 394551586 /nfs/dbraw/zinc/55/15/86/394551586.db2.gz ARTKZZCRLRUCOF-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132412 394551589 /nfs/dbraw/zinc/55/15/89/394551589.db2.gz ARTKZZCRLRUCOF-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C12CCOCC2 ZINC000248991325 286390799 /nfs/dbraw/zinc/39/07/99/286390799.db2.gz LDMACCLWVDYODW-OWCLPIDISA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248991325 286390800 /nfs/dbraw/zinc/39/08/00/286390800.db2.gz LDMACCLWVDYODW-OWCLPIDISA-N 2 2 296.455 2.035 10 0 CEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226490 171091975 /nfs/dbraw/zinc/09/19/75/171091975.db2.gz COKXRPOADXVXOD-ZDUSSCGKSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226490 171091977 /nfs/dbraw/zinc/09/19/77/171091977.db2.gz COKXRPOADXVXOD-ZDUSSCGKSA-N 2 2 252.358 2.045 10 0 CEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374755 171170040 /nfs/dbraw/zinc/17/00/40/171170040.db2.gz WPRDJZAJVINGEW-VIFPVBQESA-N 2 2 261.716 2.182 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C(C)C)c(OC)c1 ZINC000022167740 171366589 /nfs/dbraw/zinc/36/65/89/171366589.db2.gz SLWVQTKUVPWDKA-CYBMUJFWSA-N 2 2 252.358 2.044 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c(OC)c1 ZINC000022167740 171366590 /nfs/dbraw/zinc/36/65/90/171366590.db2.gz SLWVQTKUVPWDKA-CYBMUJFWSA-N 2 2 252.358 2.044 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000037174468 173008645 /nfs/dbraw/zinc/00/86/45/173008645.db2.gz VAZFEXPHGNVKFB-MFKMUULPSA-N 2 2 272.364 2.402 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@@H]1CCSC1 ZINC000037174468 173008647 /nfs/dbraw/zinc/00/86/47/173008647.db2.gz VAZFEXPHGNVKFB-MFKMUULPSA-N 2 2 272.364 2.402 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098046 174112937 /nfs/dbraw/zinc/11/29/37/174112937.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098046 174112938 /nfs/dbraw/zinc/11/29/38/174112938.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)c1ccc([C@@H](CO)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038117451 174127302 /nfs/dbraw/zinc/12/73/02/174127302.db2.gz WBYKYIPRACIOON-MRXNPFEDSA-N 2 2 262.397 2.139 10 0 CEAELP CC(C)c1ccc([C@@H](CO)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038117451 174127304 /nfs/dbraw/zinc/12/73/04/174127304.db2.gz WBYKYIPRACIOON-MRXNPFEDSA-N 2 2 262.397 2.139 10 0 CEAELP c1[nH]cc(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)[nH+]1 ZINC000040431084 174259885 /nfs/dbraw/zinc/25/98/85/174259885.db2.gz SLFMYESZZPZJHF-CQSZACIVSA-N 2 2 252.321 2.321 10 0 CEAELP c1[nH]c(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c[nH+]1 ZINC000040431084 174259886 /nfs/dbraw/zinc/25/98/86/174259886.db2.gz SLFMYESZZPZJHF-CQSZACIVSA-N 2 2 252.321 2.321 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc(F)ccc1F ZINC000040639036 174363117 /nfs/dbraw/zinc/36/31/17/174363117.db2.gz FAFGQWRSYYJABS-UHFFFAOYSA-N 2 2 251.280 2.031 10 0 CEAELP CCc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc[nH+]1 ZINC000040765194 174397782 /nfs/dbraw/zinc/39/77/82/174397782.db2.gz LZPCYCFYYLIINI-QXMXGUDHSA-N 2 2 260.385 2.324 10 0 CEAELP CCc1cc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc[nH+]1 ZINC000040765194 174397783 /nfs/dbraw/zinc/39/77/83/174397783.db2.gz LZPCYCFYYLIINI-QXMXGUDHSA-N 2 2 260.385 2.324 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)cc1 ZINC000311453115 414860498 /nfs/dbraw/zinc/86/04/98/414860498.db2.gz JTNLBAZRFNFZHG-BBRMVZONSA-N 2 2 264.413 2.212 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)cc1 ZINC000311453115 414860503 /nfs/dbraw/zinc/86/05/03/414860503.db2.gz JTNLBAZRFNFZHG-BBRMVZONSA-N 2 2 264.413 2.212 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043335944 175012353 /nfs/dbraw/zinc/01/23/53/175012353.db2.gz PPZNCLRGAZBDOL-ZBFHGGJFSA-N 3 2 279.428 2.332 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCOC)CC(C)C ZINC000043340425 175014752 /nfs/dbraw/zinc/01/47/52/175014752.db2.gz XUKSTEDBFXXDSC-ZBFHGGJFSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCOC)CC(C)C ZINC000043340425 175014754 /nfs/dbraw/zinc/01/47/54/175014754.db2.gz XUKSTEDBFXXDSC-ZBFHGGJFSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345943 175017022 /nfs/dbraw/zinc/01/70/22/175017022.db2.gz UHJZGJDDPJYASA-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345943 175017023 /nfs/dbraw/zinc/01/70/23/175017023.db2.gz UHJZGJDDPJYASA-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347892 175018269 /nfs/dbraw/zinc/01/82/69/175018269.db2.gz QRODICZWXOCBOA-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347892 175018270 /nfs/dbraw/zinc/01/82/70/175018270.db2.gz QRODICZWXOCBOA-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(OC)CC1 ZINC000043364105 175024658 /nfs/dbraw/zinc/02/46/58/175024658.db2.gz XABACJWXVAJWCG-UKRRQHHQSA-N 2 2 266.385 2.477 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)[C@@H]2CCSC2)o1 ZINC000043364092 175025101 /nfs/dbraw/zinc/02/51/01/175025101.db2.gz QTPMFVAMHOSKCS-DMDPSCGWSA-N 2 2 254.399 2.414 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000043364092 175025102 /nfs/dbraw/zinc/02/51/02/175025102.db2.gz QTPMFVAMHOSKCS-DMDPSCGWSA-N 2 2 254.399 2.414 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812221 175111301 /nfs/dbraw/zinc/11/13/01/175111301.db2.gz VSUDZEXNMLIKSM-HUUCEWRRSA-N 2 2 282.428 2.136 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898753 175121466 /nfs/dbraw/zinc/12/14/66/175121466.db2.gz ABHBCHKYJPMHCW-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898753 175121467 /nfs/dbraw/zinc/12/14/67/175121467.db2.gz ABHBCHKYJPMHCW-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CCC[C@H](OCC)C1 ZINC000043971745 175132578 /nfs/dbraw/zinc/13/25/78/175132578.db2.gz YINVGIJPOVDYLA-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CCC[C@H](OCC)C1 ZINC000043971745 175132579 /nfs/dbraw/zinc/13/25/79/175132579.db2.gz YINVGIJPOVDYLA-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000045043140 175295106 /nfs/dbraw/zinc/29/51/06/175295106.db2.gz HDVVVBSBDAVKRT-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000045043140 175295108 /nfs/dbraw/zinc/29/51/08/175295108.db2.gz HDVVVBSBDAVKRT-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1C ZINC000045168257 175319247 /nfs/dbraw/zinc/31/92/47/175319247.db2.gz JXXZWRUODQOZOB-GFCCVEGCSA-N 2 2 264.417 2.266 10 0 CEAELP CCn1nc(C)c([C@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000045173315 175322174 /nfs/dbraw/zinc/32/21/74/175322174.db2.gz QZISSQFGHGFCEG-GXTWGEPZSA-N 2 2 264.417 2.394 10 0 CEAELP CCn1nc(C)c([C@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000045173315 175322175 /nfs/dbraw/zinc/32/21/75/175322175.db2.gz QZISSQFGHGFCEG-GXTWGEPZSA-N 2 2 264.417 2.394 10 0 CEAELP CC(C)[C@@H]1C[C@@](C[NH3+])([NH+]2CCCCCC2)CCO1 ZINC000070362594 175890689 /nfs/dbraw/zinc/89/06/89/175890689.db2.gz MAGDFIPWWTZGMT-GJZGRUSLSA-N 2 2 254.418 2.395 10 0 CEAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000070812379 176006548 /nfs/dbraw/zinc/00/65/48/176006548.db2.gz KJVPCXMIEQRGLE-GFCCVEGCSA-N 2 2 290.754 2.216 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC[C@@H]2CC)C1 ZINC000071123469 176034782 /nfs/dbraw/zinc/03/47/82/176034782.db2.gz ZMGURZJVKIOKHI-ILXRZTDVSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOC[C@@H]2CC)C1 ZINC000071123469 176034783 /nfs/dbraw/zinc/03/47/83/176034783.db2.gz ZMGURZJVKIOKHI-ILXRZTDVSA-N 2 2 254.418 2.395 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000071137970 176036298 /nfs/dbraw/zinc/03/62/98/176036298.db2.gz KWGYXOOQBIWDNW-HNNXBMFYSA-N 2 2 260.381 2.412 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C2CC2)cc1 ZINC000071137970 176036299 /nfs/dbraw/zinc/03/62/99/176036299.db2.gz KWGYXOOQBIWDNW-HNNXBMFYSA-N 2 2 260.381 2.412 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](CCCOC)CCOC ZINC000071161921 176046427 /nfs/dbraw/zinc/04/64/27/176046427.db2.gz KNSRLTBGGHZJBT-HZPDHXFCSA-N 2 2 286.460 2.269 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000071161921 176046428 /nfs/dbraw/zinc/04/64/28/176046428.db2.gz KNSRLTBGGHZJBT-HZPDHXFCSA-N 2 2 286.460 2.269 10 0 CEAELP CCC[C@]1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068822 /nfs/dbraw/zinc/06/88/22/176068822.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@]1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068823 /nfs/dbraw/zinc/06/88/23/176068823.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@]1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068825 /nfs/dbraw/zinc/06/88/25/176068825.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[C@]1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068826 /nfs/dbraw/zinc/06/88/26/176068826.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 3 2 267.461 2.040 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072390 /nfs/dbraw/zinc/07/23/90/176072390.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072391 /nfs/dbraw/zinc/07/23/91/176072391.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072393 /nfs/dbraw/zinc/07/23/93/176072393.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072394 /nfs/dbraw/zinc/07/23/94/176072394.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198306 176077217 /nfs/dbraw/zinc/07/72/17/176077217.db2.gz UMUOIKFKEDIVIA-LSDHHAIUSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198306 176077218 /nfs/dbraw/zinc/07/72/18/176077218.db2.gz UMUOIKFKEDIVIA-LSDHHAIUSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+]CCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000071289939 176110368 /nfs/dbraw/zinc/11/03/68/176110368.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 3 2 267.461 2.326 10 0 CEAELP CC[NH2+]CCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000071289939 176110370 /nfs/dbraw/zinc/11/03/70/176110370.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 3 2 267.461 2.326 10 0 CEAELP CC[NH2+]CCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071289939 176110371 /nfs/dbraw/zinc/11/03/71/176110371.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 3 2 267.461 2.326 10 0 CEAELP CC[NH2+]CCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000071289939 176110373 /nfs/dbraw/zinc/11/03/73/176110373.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 3 2 267.461 2.326 10 0 CEAELP CCc1cc(Cc2[nH]c(CC[NH3+])c[nH+]2)ccc1OC ZINC000071585428 176210698 /nfs/dbraw/zinc/21/06/98/176210698.db2.gz HMATZQUBIPHDEI-UHFFFAOYSA-N 2 2 259.353 2.073 10 0 CEAELP CCc1cc(Cc2[nH]cc(CC[NH3+])[nH+]2)ccc1OC ZINC000071585428 176210699 /nfs/dbraw/zinc/21/06/99/176210699.db2.gz HMATZQUBIPHDEI-UHFFFAOYSA-N 2 2 259.353 2.073 10 0 CEAELP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388858 276187931 /nfs/dbraw/zinc/18/79/31/276187931.db2.gz GKAZWMNTJLDKBU-DLBZAZTESA-N 2 2 289.423 2.065 10 0 CEAELP CC[N@H+]1CCC[C@](O)(C[NH+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388858 276187934 /nfs/dbraw/zinc/18/79/34/276187934.db2.gz GKAZWMNTJLDKBU-DLBZAZTESA-N 2 2 289.423 2.065 10 0 CEAELP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388858 276187937 /nfs/dbraw/zinc/18/79/37/276187937.db2.gz GKAZWMNTJLDKBU-DLBZAZTESA-N 2 2 289.423 2.065 10 0 CEAELP CC[NH+]1CCC[C@](O)(C[N@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388858 276187938 /nfs/dbraw/zinc/18/79/38/276187938.db2.gz GKAZWMNTJLDKBU-DLBZAZTESA-N 2 2 289.423 2.065 10 0 CEAELP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)[C@H]1CCOC1 ZINC000336785753 288084102 /nfs/dbraw/zinc/08/41/02/288084102.db2.gz FXQXLZWWQCHRJZ-ZNMIVQPWSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010823 519746108 /nfs/dbraw/zinc/74/61/08/519746108.db2.gz CEAYRRMLOQHCAT-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010823 519746110 /nfs/dbraw/zinc/74/61/10/519746110.db2.gz CEAYRRMLOQHCAT-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049197328 519814626 /nfs/dbraw/zinc/81/46/26/519814626.db2.gz FWAWHNWYXOMZRY-INIZCTEOSA-N 2 2 287.407 2.204 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)C(=O)OCC)CC1 ZINC000049369784 519847611 /nfs/dbraw/zinc/84/76/11/519847611.db2.gz XCUDBVYLEUURKC-CHWSQXEVSA-N 2 2 270.417 2.038 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000052380841 519991538 /nfs/dbraw/zinc/99/15/38/519991538.db2.gz RUHACQAGJRSBLR-TXEJJXNPSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000052380841 519991543 /nfs/dbraw/zinc/99/15/43/519991543.db2.gz RUHACQAGJRSBLR-TXEJJXNPSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+][C@@H](CCn1c[nH+]c2cc(C)c(C)cc21)C(=O)OC ZINC000062534582 520096479 /nfs/dbraw/zinc/09/64/79/520096479.db2.gz MUTBCTUNWVUCHO-ZDUSSCGKSA-N 2 2 289.379 2.194 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000061273799 520165774 /nfs/dbraw/zinc/16/57/74/520165774.db2.gz RMKYMTAGXJKNLJ-OAHLLOKOSA-N 2 2 291.439 2.407 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000061273799 520165780 /nfs/dbraw/zinc/16/57/80/520165780.db2.gz RMKYMTAGXJKNLJ-OAHLLOKOSA-N 2 2 291.439 2.407 10 0 CEAELP CCO[C@@H](C[NH3+])CCn1c(CC)[nH+]c2ccccc21 ZINC000062807378 520308627 /nfs/dbraw/zinc/30/86/27/520308627.db2.gz MHZDBSBFQBVQJQ-GFCCVEGCSA-N 2 2 261.369 2.353 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069237594 520965461 /nfs/dbraw/zinc/96/54/61/520965461.db2.gz DJZICVYJEXJEFV-HNNXBMFYSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069237594 520965466 /nfs/dbraw/zinc/96/54/66/520965466.db2.gz DJZICVYJEXJEFV-HNNXBMFYSA-N 2 2 278.396 2.436 10 0 CEAELP CCCC[C@@H](CC)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068804736 521034825 /nfs/dbraw/zinc/03/48/25/521034825.db2.gz YSFLOOPAIOSRPS-CABCVRRESA-N 2 2 255.450 2.038 10 0 CEAELP CCCC[C@@H](CC)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068804736 521034837 /nfs/dbraw/zinc/03/48/37/521034837.db2.gz YSFLOOPAIOSRPS-CABCVRRESA-N 2 2 255.450 2.038 10 0 CEAELP CCC[C@]1(c2[nH]c3cc4c(cc3[nH+]2)OCCO4)CC[NH2+]C1 ZINC000062914802 521325509 /nfs/dbraw/zinc/32/55/09/521325509.db2.gz KXSKDJHYFWVSPK-INIZCTEOSA-N 2 2 287.363 2.365 10 0 CEAELP CCC[N@H+](Cc1ncccn1)C(CC)(CC)C[NH3+] ZINC000054458737 521694908 /nfs/dbraw/zinc/69/49/08/521694908.db2.gz PJIKSGCXAQLBSG-UHFFFAOYSA-N 2 2 250.390 2.206 10 0 CEAELP CCC[N@@H+](Cc1ncccn1)C(CC)(CC)C[NH3+] ZINC000054458737 521694911 /nfs/dbraw/zinc/69/49/11/521694911.db2.gz PJIKSGCXAQLBSG-UHFFFAOYSA-N 2 2 250.390 2.206 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541510 522024308 /nfs/dbraw/zinc/02/43/08/522024308.db2.gz BDOXRIZKFBRDJW-HNNXBMFYSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541510 522024294 /nfs/dbraw/zinc/02/42/94/522024294.db2.gz BDOXRIZKFBRDJW-HNNXBMFYSA-N 2 2 250.386 2.371 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757664 522338728 /nfs/dbraw/zinc/33/87/28/522338728.db2.gz PSNGPODLHDLNEG-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757664 522338740 /nfs/dbraw/zinc/33/87/40/522338740.db2.gz PSNGPODLHDLNEG-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP C[NH2+][C@@H](CCN(C)Cc1[nH+]ccn1C)c1ccc(F)cc1 ZINC000062323529 522343499 /nfs/dbraw/zinc/34/34/99/522343499.db2.gz YNHPCDWCXQIWPG-HNNXBMFYSA-N 2 2 290.386 2.342 10 0 CEAELP C[NH2+][C@@](C)(C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21)C(N)=O ZINC000068648738 522423697 /nfs/dbraw/zinc/42/36/97/522423697.db2.gz HZVXDVVRVRMYJH-LRDDRELGSA-N 2 2 288.395 2.068 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[NH2+]CCOC ZINC000062808186 522507150 /nfs/dbraw/zinc/50/71/50/522507150.db2.gz RHDXDPPZAOBOQK-GFCCVEGCSA-N 2 2 261.369 2.396 10 0 CEAELP CC[C@H]1C[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181694 523270643 /nfs/dbraw/zinc/27/06/43/523270643.db2.gz FVSJPZKILWFIFB-HNNXBMFYSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@H]1C[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181694 523270649 /nfs/dbraw/zinc/27/06/49/523270649.db2.gz FVSJPZKILWFIFB-HNNXBMFYSA-N 2 2 298.471 2.282 10 0 CEAELP COCC[N@H+](C)[C@H](C[NH3+])c1csc2ccccc12 ZINC000054464316 523634186 /nfs/dbraw/zinc/63/41/86/523634186.db2.gz XPQCEEBSVCLTGO-CYBMUJFWSA-N 2 2 264.394 2.479 10 0 CEAELP COCC[N@@H+](C)[C@H](C[NH3+])c1csc2ccccc12 ZINC000054464316 523634197 /nfs/dbraw/zinc/63/41/97/523634197.db2.gz XPQCEEBSVCLTGO-CYBMUJFWSA-N 2 2 264.394 2.479 10 0 CEAELP COc1ccc(C)cc1C[N@H+](CCC(N)=[NH2+])C1CC1 ZINC000050704465 523809334 /nfs/dbraw/zinc/80/93/34/523809334.db2.gz ZDFAVSNJEHDNCJ-UHFFFAOYSA-N 2 2 261.369 2.294 10 0 CEAELP COc1ccc(C)cc1C[N@@H+](CCC(N)=[NH2+])C1CC1 ZINC000050704465 523809345 /nfs/dbraw/zinc/80/93/45/523809345.db2.gz ZDFAVSNJEHDNCJ-UHFFFAOYSA-N 2 2 261.369 2.294 10 0 CEAELP COC(=O)[C@@](C)(C[C@H](C)n1c[nH+]c(C)c1C)[NH2+]C1CC1 ZINC000068650083 523816248 /nfs/dbraw/zinc/81/62/48/523816248.db2.gz NDKWHIGIJVYJRG-ZUZCIYMTSA-N 2 2 279.384 2.135 10 0 CEAELP CN1CC[NH+](Cc2c(C[NH3+])sc3cccc(F)c32)CC1 ZINC000052379360 523907975 /nfs/dbraw/zinc/90/79/75/523907975.db2.gz JPVNJPPDVFPGSJ-UHFFFAOYSA-N 2 2 293.411 2.247 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049151223 524318119 /nfs/dbraw/zinc/31/81/19/524318119.db2.gz KSPPJGSNKVDFBB-OLZOCXBDSA-N 2 2 290.411 2.312 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1F ZINC000062802900 525001777 /nfs/dbraw/zinc/00/17/77/525001777.db2.gz UKUZADICFRGQNR-SECBINFHSA-N 2 2 251.280 2.099 10 0 CEAELP CSCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000069429982 525512799 /nfs/dbraw/zinc/51/27/99/525512799.db2.gz KIOUSFNLHSJVFN-OAHLLOKOSA-N 2 2 264.438 2.256 10 0 CEAELP CSCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000069429982 525512807 /nfs/dbraw/zinc/51/28/07/525512807.db2.gz KIOUSFNLHSJVFN-OAHLLOKOSA-N 2 2 264.438 2.256 10 0 CEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCCCC3)c2cc1C ZINC000051085341 525683404 /nfs/dbraw/zinc/68/34/04/525683404.db2.gz ZCUGYCJWJRIGLJ-HNNXBMFYSA-N 2 2 287.407 2.500 10 0 CEAELP Cc1ncc(C[NH2+]C[C@](C)([NH3+])c2ccccc2)s1 ZINC000052883530 527271875 /nfs/dbraw/zinc/27/18/75/527271875.db2.gz YUGMZUNCPOIOIZ-AWEZNQCLSA-N 2 2 261.394 2.415 10 0 CEAELP Cc1nc(N2CCCC[C@@H]2C[NH2+]CC(C)C)cc[nH+]1 ZINC000054937631 527343489 /nfs/dbraw/zinc/34/34/89/527343489.db2.gz NAASPJMKRGLDHS-CQSZACIVSA-N 2 2 262.401 2.390 10 0 CEAELP COc1ccccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000082729000 178245780 /nfs/dbraw/zinc/24/57/80/178245780.db2.gz KGNODUNWFMYOGS-HIFRSBDPSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000082729000 178245782 /nfs/dbraw/zinc/24/57/82/178245782.db2.gz KGNODUNWFMYOGS-HIFRSBDPSA-N 2 2 260.381 2.269 10 0 CEAELP Fc1ccc(-n2c[nH+]cc2C2C[NH2+]C2)c(Br)c1 ZINC000097014214 185152159 /nfs/dbraw/zinc/15/21/59/185152159.db2.gz GBWUECIPGDHQLU-UHFFFAOYSA-N 2 2 296.143 2.461 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002375 539032478 /nfs/dbraw/zinc/03/24/78/539032478.db2.gz IFMQAFHBOXKMFO-INIZCTEOSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002375 539032480 /nfs/dbraw/zinc/03/24/80/539032480.db2.gz IFMQAFHBOXKMFO-INIZCTEOSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@@H+]1CCO[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000135815933 539290701 /nfs/dbraw/zinc/29/07/01/539290701.db2.gz QQSDKQJHBAKSIU-LLVKDONJSA-N 2 2 289.301 2.233 10 0 CEAELP CC[N@H+]1CCO[C@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000135815933 539290702 /nfs/dbraw/zinc/29/07/02/539290702.db2.gz QQSDKQJHBAKSIU-LLVKDONJSA-N 2 2 289.301 2.233 10 0 CEAELP COC1CC([NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000336699816 365765013 /nfs/dbraw/zinc/76/50/13/365765013.db2.gz DINVZQWQPCKPEA-JEYLPNPQSA-N 2 2 262.397 2.274 10 0 CEAELP COC1CC([NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000336699816 365765018 /nfs/dbraw/zinc/76/50/18/365765018.db2.gz DINVZQWQPCKPEA-JEYLPNPQSA-N 2 2 262.397 2.274 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435521 344373965 /nfs/dbraw/zinc/37/39/65/344373965.db2.gz CKKZADXQCIMLFQ-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2cc(C)ccc2C)C1 ZINC000134435521 344373967 /nfs/dbraw/zinc/37/39/67/344373967.db2.gz CKKZADXQCIMLFQ-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000143484827 344405901 /nfs/dbraw/zinc/40/59/01/344405901.db2.gz SDFTVHVPMKAQAE-IBGZPJMESA-N 2 2 295.430 2.332 10 0 CEAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000143484827 344405902 /nfs/dbraw/zinc/40/59/02/344405902.db2.gz SDFTVHVPMKAQAE-IBGZPJMESA-N 2 2 295.430 2.332 10 0 CEAELP CC[NH+](CC)CC[NH2+]C[C@H]1CCc2ccccc2N1 ZINC000584614489 344965250 /nfs/dbraw/zinc/96/52/50/344965250.db2.gz RUNHQOWNZOBOHB-OAHLLOKOSA-N 2 2 261.413 2.345 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000085102827 178949411 /nfs/dbraw/zinc/94/94/11/178949411.db2.gz PMQJIPMEJXZXPW-GZBFAFLISA-N 2 2 264.417 2.006 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000085102827 178949412 /nfs/dbraw/zinc/94/94/12/178949412.db2.gz PMQJIPMEJXZXPW-GZBFAFLISA-N 2 2 264.417 2.006 10 0 CEAELP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000085104258 178949609 /nfs/dbraw/zinc/94/96/09/178949609.db2.gz HMZVXTWJPMXYBS-VNHYZAJKSA-N 2 2 264.417 2.006 10 0 CEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1ccc(Cl)s1 ZINC000085283938 179001946 /nfs/dbraw/zinc/00/19/46/179001946.db2.gz KVAACCIJPSSJJH-FXPVBKGRSA-N 2 2 256.802 2.441 10 0 CEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1ccc(Cl)s1 ZINC000085283938 179001947 /nfs/dbraw/zinc/00/19/47/179001947.db2.gz KVAACCIJPSSJJH-FXPVBKGRSA-N 2 2 256.802 2.441 10 0 CEAELP COCCC[N@@H+]1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468313 179073224 /nfs/dbraw/zinc/07/32/24/179073224.db2.gz BYWAMEFATSGFRH-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP COCCC[N@H+]1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468313 179073226 /nfs/dbraw/zinc/07/32/26/179073226.db2.gz BYWAMEFATSGFRH-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085454439 179067649 /nfs/dbraw/zinc/06/76/49/179067649.db2.gz QLEXDIBPCIYJRD-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[N@@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085454439 179067651 /nfs/dbraw/zinc/06/76/51/179067651.db2.gz QLEXDIBPCIYJRD-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@@H]1C[NH2+][C@@H](CC)CN1CCCn1cc[nH+]c1 ZINC000085472543 179076994 /nfs/dbraw/zinc/07/69/94/179076994.db2.gz IJORBALVNYMIQS-LSDHHAIUSA-N 2 2 264.417 2.126 10 0 CEAELP CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000085495376 179081981 /nfs/dbraw/zinc/08/19/81/179081981.db2.gz XOLKQRVIKGNVSU-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@]1(C)C[N@@H+](C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000085495376 179081982 /nfs/dbraw/zinc/08/19/82/179081982.db2.gz XOLKQRVIKGNVSU-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471590 179076522 /nfs/dbraw/zinc/07/65/22/179076522.db2.gz YJIYPTFQBLXQAB-DZGCQCFKSA-N 2 2 252.402 2.018 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471590 179076524 /nfs/dbraw/zinc/07/65/24/179076524.db2.gz YJIYPTFQBLXQAB-DZGCQCFKSA-N 2 2 252.402 2.018 10 0 CEAELP COCCOCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515835 179087353 /nfs/dbraw/zinc/08/73/53/179087353.db2.gz YNJMRCUWMSHBCX-INIZCTEOSA-N 2 2 296.455 2.036 10 0 CEAELP COCCOCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515835 179087354 /nfs/dbraw/zinc/08/73/54/179087354.db2.gz YNJMRCUWMSHBCX-INIZCTEOSA-N 2 2 296.455 2.036 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497842 179082880 /nfs/dbraw/zinc/08/28/80/179082880.db2.gz NKNWUTSISQTEGO-UONOGXRCSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085497842 179082881 /nfs/dbraw/zinc/08/28/81/179082881.db2.gz NKNWUTSISQTEGO-UONOGXRCSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@@H+]1CC2(CCCCC2)[NH2+]CC1(C)C ZINC000085503398 179084268 /nfs/dbraw/zinc/08/42/68/179084268.db2.gz FVEXLKJFJHQRHD-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP COCCC[N@H+]1CC2(CCCCC2)[NH2+]CC1(C)C ZINC000085503398 179084271 /nfs/dbraw/zinc/08/42/71/179084271.db2.gz FVEXLKJFJHQRHD-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085525096 179089200 /nfs/dbraw/zinc/08/92/00/179089200.db2.gz OGBTWKKKDPWDSJ-RRQGHBQHSA-N 2 2 290.455 2.290 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608814 179101408 /nfs/dbraw/zinc/10/14/08/179101408.db2.gz FWWOLYSOCNJQSD-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608814 179101410 /nfs/dbraw/zinc/10/14/10/179101410.db2.gz FWWOLYSOCNJQSD-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612100 179103066 /nfs/dbraw/zinc/10/30/66/179103066.db2.gz KTDBLWFBDJEGED-CYBMUJFWSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612100 179103068 /nfs/dbraw/zinc/10/30/68/179103068.db2.gz KTDBLWFBDJEGED-CYBMUJFWSA-N 2 2 263.385 2.054 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613374 179103262 /nfs/dbraw/zinc/10/32/62/179103262.db2.gz KCVCXPXBFKPREH-KRWDZBQOSA-N 2 2 284.407 2.298 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613374 179103263 /nfs/dbraw/zinc/10/32/63/179103263.db2.gz KCVCXPXBFKPREH-KRWDZBQOSA-N 2 2 284.407 2.298 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615127 179104507 /nfs/dbraw/zinc/10/45/07/179104507.db2.gz GGNIBEFODAFTRA-KRWDZBQOSA-N 3 2 290.455 2.436 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615127 179104508 /nfs/dbraw/zinc/10/45/08/179104508.db2.gz GGNIBEFODAFTRA-KRWDZBQOSA-N 3 2 290.455 2.436 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)C1 ZINC000085626699 179107465 /nfs/dbraw/zinc/10/74/65/179107465.db2.gz WZVUYWDDIAPGDQ-DRPJVOAASA-N 2 2 266.429 2.406 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)C1 ZINC000085626699 179107467 /nfs/dbraw/zinc/10/74/67/179107467.db2.gz WZVUYWDDIAPGDQ-DRPJVOAASA-N 2 2 266.429 2.406 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634986 179109088 /nfs/dbraw/zinc/10/90/88/179109088.db2.gz XYPFJWAYTZCRGO-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP [NH3+][C@@H](Cc1ccccc1)C1([NH+]2CCOCC2)CCCC1 ZINC000085752807 179144598 /nfs/dbraw/zinc/14/45/98/179144598.db2.gz CMAIAFNKSCQNGS-INIZCTEOSA-N 2 2 274.408 2.201 10 0 CEAELP C[C@H]1[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1C ZINC000086073615 179224967 /nfs/dbraw/zinc/22/49/67/179224967.db2.gz VRDNWMCIPCIXQZ-DMDPSCGWSA-N 2 2 250.390 2.010 10 0 CEAELP C[C@@H]1[C@@H](C)CC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000086073611 179224991 /nfs/dbraw/zinc/22/49/91/179224991.db2.gz VRDNWMCIPCIXQZ-LOWVWBTDSA-N 2 2 250.390 2.010 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@@H+]1CCOc2ccccc2C1 ZINC000086120768 179234910 /nfs/dbraw/zinc/23/49/10/179234910.db2.gz FWAPZEUIDVFSJC-MRXNPFEDSA-N 2 2 260.381 2.399 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@H+]1CCOc2ccccc2C1 ZINC000086120768 179234912 /nfs/dbraw/zinc/23/49/12/179234912.db2.gz FWAPZEUIDVFSJC-MRXNPFEDSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218791 179250744 /nfs/dbraw/zinc/25/07/44/179250744.db2.gz CIKLSYZWKKXNNX-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C1CCOCC1 ZINC000086218791 179250746 /nfs/dbraw/zinc/25/07/46/179250746.db2.gz CIKLSYZWKKXNNX-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264828 179261024 /nfs/dbraw/zinc/26/10/24/179261024.db2.gz STTGANOFNXNHSI-DZGCQCFKSA-N 2 2 276.428 2.163 10 0 CEAELP C1CCC2(CC1)C[N@@H+]([C@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285927 179263825 /nfs/dbraw/zinc/26/38/25/179263825.db2.gz QEQUFRQAMLPIHQ-INIZCTEOSA-N 3 2 277.456 2.079 10 0 CEAELP C1CCC2(CC1)C[N@H+]([C@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285927 179263826 /nfs/dbraw/zinc/26/38/26/179263826.db2.gz QEQUFRQAMLPIHQ-INIZCTEOSA-N 3 2 277.456 2.079 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)s1 ZINC000086289963 179264961 /nfs/dbraw/zinc/26/49/61/179264961.db2.gz NYQADYCRQSUNGD-CYBMUJFWSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)s1 ZINC000086289963 179264964 /nfs/dbraw/zinc/26/49/64/179264964.db2.gz NYQADYCRQSUNGD-CYBMUJFWSA-N 2 2 253.415 2.271 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292724 179266233 /nfs/dbraw/zinc/26/62/33/179266233.db2.gz GYVMJGHJUYNJER-SMDDNHRTSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292724 179266234 /nfs/dbraw/zinc/26/62/34/179266234.db2.gz GYVMJGHJUYNJER-SMDDNHRTSA-N 2 2 251.374 2.193 10 0 CEAELP COc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1OC(F)F ZINC000086507151 179303488 /nfs/dbraw/zinc/30/34/88/179303488.db2.gz DERQEBRREIDLGY-UHFFFAOYSA-N 2 2 297.305 2.352 10 0 CEAELP COc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1OC(F)F ZINC000086507151 179303491 /nfs/dbraw/zinc/30/34/91/179303491.db2.gz DERQEBRREIDLGY-UHFFFAOYSA-N 2 2 297.305 2.352 10 0 CEAELP C[C@@H](CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000086629280 179313394 /nfs/dbraw/zinc/31/33/94/179313394.db2.gz NIFTVVQZNAGQGR-CHWSQXEVSA-N 2 2 259.353 2.151 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817436 179344957 /nfs/dbraw/zinc/34/49/57/179344957.db2.gz AAABTIGNWLUIFL-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817436 179344958 /nfs/dbraw/zinc/34/49/58/179344958.db2.gz AAABTIGNWLUIFL-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836669 179350890 /nfs/dbraw/zinc/35/08/90/179350890.db2.gz XABTUBLZJFHFFU-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836669 179350893 /nfs/dbraw/zinc/35/08/93/179350893.db2.gz XABTUBLZJFHFFU-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2nc(C)cs2)CC1 ZINC000086842212 179352420 /nfs/dbraw/zinc/35/24/20/179352420.db2.gz RYGNDZRTLWGMLX-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2nc(C)cs2)CC1 ZINC000086842212 179352422 /nfs/dbraw/zinc/35/24/22/179352422.db2.gz RYGNDZRTLWGMLX-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP COc1ccccc1C[N@H+](C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875147 179364916 /nfs/dbraw/zinc/36/49/16/179364916.db2.gz NUAGAGCOEVGYLU-INIZCTEOSA-N 2 2 278.396 2.025 10 0 CEAELP COc1ccccc1C[N@@H+](C)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875147 179364919 /nfs/dbraw/zinc/36/49/19/179364919.db2.gz NUAGAGCOEVGYLU-INIZCTEOSA-N 2 2 278.396 2.025 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616630065 348540245 /nfs/dbraw/zinc/54/02/45/348540245.db2.gz YGXQLGCKXDWEEH-AWEZNQCLSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616630065 348540247 /nfs/dbraw/zinc/54/02/47/348540247.db2.gz YGXQLGCKXDWEEH-AWEZNQCLSA-N 2 2 270.380 2.158 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090625120 180015544 /nfs/dbraw/zinc/01/55/44/180015544.db2.gz DWYLIBHFJBHAHL-ZDUSSCGKSA-N 2 2 286.803 2.108 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090625120 180015548 /nfs/dbraw/zinc/01/55/48/180015548.db2.gz DWYLIBHFJBHAHL-ZDUSSCGKSA-N 2 2 286.803 2.108 10 0 CEAELP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693340 180025051 /nfs/dbraw/zinc/02/50/51/180025051.db2.gz XVRZGFFRQWNDRO-KBPBESRZSA-N 2 2 283.460 2.144 10 0 CEAELP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693340 180025053 /nfs/dbraw/zinc/02/50/53/180025053.db2.gz XVRZGFFRQWNDRO-KBPBESRZSA-N 2 2 283.460 2.144 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877415 180051882 /nfs/dbraw/zinc/05/18/82/180051882.db2.gz FBTXXMDIJXLBKC-KGLIPLIRSA-N 2 2 271.364 2.167 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C2CC2)n1C[C@H]1Cc2ccccc2O1 ZINC000090877819 180052063 /nfs/dbraw/zinc/05/20/63/180052063.db2.gz KUTZIZDWBUIKJR-MRXNPFEDSA-N 2 2 283.375 2.447 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892411 180053653 /nfs/dbraw/zinc/05/36/53/180053653.db2.gz HFDAPWSPECPTIC-LSDHHAIUSA-N 2 2 280.387 2.305 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895274 180056336 /nfs/dbraw/zinc/05/63/36/180056336.db2.gz SVWHDPUUDZXXHU-KGLIPLIRSA-N 2 2 289.354 2.306 10 0 CEAELP CCC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894290 180056378 /nfs/dbraw/zinc/05/63/78/180056378.db2.gz TUVCSNPDCNPSOB-HUUCEWRRSA-N 2 2 278.371 2.203 10 0 CEAELP CCC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894290 180056379 /nfs/dbraw/zinc/05/63/79/180056379.db2.gz TUVCSNPDCNPSOB-HUUCEWRRSA-N 2 2 278.371 2.203 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907444 180060780 /nfs/dbraw/zinc/06/07/80/180060780.db2.gz YKTGHYCLDJZEJK-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907444 180060782 /nfs/dbraw/zinc/06/07/82/180060782.db2.gz YKTGHYCLDJZEJK-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+]C[C@](C)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907500 180062069 /nfs/dbraw/zinc/06/20/69/180062069.db2.gz KHJVKBXZFSPENQ-FGTMMUONSA-N 2 2 288.435 2.417 10 0 CEAELP CC[NH2+]C[C@](C)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907500 180062071 /nfs/dbraw/zinc/06/20/71/180062071.db2.gz KHJVKBXZFSPENQ-FGTMMUONSA-N 2 2 288.435 2.417 10 0 CEAELP [NH3+]CCc1nc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000090958798 180075450 /nfs/dbraw/zinc/07/54/50/180075450.db2.gz NHGPGXZKFQRCPV-VIFPVBQESA-N 2 2 293.358 2.419 10 0 CEAELP [NH3+]CCc1nc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000090958798 180075451 /nfs/dbraw/zinc/07/54/51/180075451.db2.gz NHGPGXZKFQRCPV-VIFPVBQESA-N 2 2 293.358 2.419 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017596 180086800 /nfs/dbraw/zinc/08/68/00/180086800.db2.gz YEVYPQZXRQPYRD-GFCCVEGCSA-N 2 2 258.369 2.137 10 0 CEAELP CC[NH2+]Cc1cn(Cc2[nH+]ccn2CC)c2ncccc12 ZINC000091020152 180087705 /nfs/dbraw/zinc/08/77/05/180087705.db2.gz DMASURVZSAXHRW-UHFFFAOYSA-N 2 2 283.379 2.411 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1cncn1C(C)C ZINC000091273064 180117828 /nfs/dbraw/zinc/11/78/28/180117828.db2.gz DISRUGNXSUNJIM-CQSZACIVSA-N 2 2 264.417 2.428 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1cncn1C(C)C ZINC000091273064 180117829 /nfs/dbraw/zinc/11/78/29/180117829.db2.gz DISRUGNXSUNJIM-CQSZACIVSA-N 2 2 264.417 2.428 10 0 CEAELP C[NH2+]CC[C@H]1CCCCN1Cc1c[nH+]cn1C(C)C ZINC000091273064 180117831 /nfs/dbraw/zinc/11/78/31/180117831.db2.gz DISRUGNXSUNJIM-CQSZACIVSA-N 2 2 264.417 2.428 10 0 CEAELP CC[NH2+][C@@H](c1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571211 180195706 /nfs/dbraw/zinc/19/57/06/180195706.db2.gz WNNFZCXFRMDGGQ-UONOGXRCSA-N 2 2 250.390 2.045 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607167 180204290 /nfs/dbraw/zinc/20/42/90/180204290.db2.gz UNOGKRILMUSESH-RDJZCZTQSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@@](C)([C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606079 180204606 /nfs/dbraw/zinc/20/46/06/180204606.db2.gz SLVGHALVQZDSSZ-ZBFHGGJFSA-N 3 2 276.428 2.059 10 0 CEAELP [NH3+][C@@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642917 180214045 /nfs/dbraw/zinc/21/40/45/180214045.db2.gz DQJKIXAGYZPOAO-AWEZNQCLSA-N 2 2 252.402 2.149 10 0 CEAELP [NH3+][C@@H](CCC[C@H]1CCCO1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643076 180214260 /nfs/dbraw/zinc/21/42/60/180214260.db2.gz YDHBDKUUONRBAU-HOTGVXAUSA-N 2 2 296.455 2.308 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCCC1 ZINC000091647748 180215809 /nfs/dbraw/zinc/21/58/09/180215809.db2.gz DLOYCBQLRLOPIK-HNNXBMFYSA-N 3 2 290.455 2.449 10 0 CEAELP CC1CCC([C@@H]([NH3+])C2CCOCC2)([NH+](C)C)CC1 ZINC000091648704 180216304 /nfs/dbraw/zinc/21/63/04/180216304.db2.gz MDLSGJVYPLSKRS-BLZCZZARSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662342 180220077 /nfs/dbraw/zinc/22/00/77/180220077.db2.gz UYJRFQRZAJLNPT-PVAVHDDUSA-N 2 2 290.407 2.296 10 0 CEAELP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(O)cc1 ZINC000091662342 180220079 /nfs/dbraw/zinc/22/00/79/180220079.db2.gz UYJRFQRZAJLNPT-PVAVHDDUSA-N 2 2 290.407 2.296 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091716694 180232485 /nfs/dbraw/zinc/23/24/85/180232485.db2.gz HTPIYDWBFRGABA-ZDUSSCGKSA-N 2 2 250.390 2.046 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)C[NH+](C)C ZINC000091719918 180234371 /nfs/dbraw/zinc/23/43/71/180234371.db2.gz FPYMRTCRNIROHL-AWEZNQCLSA-N 2 2 279.428 2.179 10 0 CEAELP C[NH2+][C@H](C)c1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091800984 180259499 /nfs/dbraw/zinc/25/94/99/180259499.db2.gz GHAILAHBWGAVLN-GFCCVEGCSA-N 2 2 254.337 2.465 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000091782527 180254589 /nfs/dbraw/zinc/25/45/89/180254589.db2.gz MIZFWIPRESLSSS-NWDGAFQWSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000091782527 180254591 /nfs/dbraw/zinc/25/45/91/180254591.db2.gz MIZFWIPRESLSSS-NWDGAFQWSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000091782527 180254594 /nfs/dbraw/zinc/25/45/94/180254594.db2.gz MIZFWIPRESLSSS-NWDGAFQWSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000091782527 180254596 /nfs/dbraw/zinc/25/45/96/180254596.db2.gz MIZFWIPRESLSSS-NWDGAFQWSA-N 2 2 280.368 2.011 10 0 CEAELP CC[NH2+][C@@H](C)c1sc([C@H]2C[N@H+](C)CCO2)nc1C ZINC000091722424 180240188 /nfs/dbraw/zinc/24/01/88/180240188.db2.gz VEIGEHNJENXWKP-GXSJLCMTSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@@H](C)c1sc([C@H]2C[N@@H+](C)CCO2)nc1C ZINC000091722424 180240191 /nfs/dbraw/zinc/24/01/91/180240191.db2.gz VEIGEHNJENXWKP-GXSJLCMTSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@H]1CCCc2nc([C@@H]3C[N@H+](C)CCO3)sc21 ZINC000091722467 180240198 /nfs/dbraw/zinc/24/01/98/180240198.db2.gz SXOIIJBXNRBQRX-JQWIXIFHSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@H]1CCCc2nc([C@@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722467 180240200 /nfs/dbraw/zinc/24/02/00/180240200.db2.gz SXOIIJBXNRBQRX-JQWIXIFHSA-N 2 2 281.425 2.133 10 0 CEAELP O[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302013 539781127 /nfs/dbraw/zinc/78/11/27/539781127.db2.gz VKKODQWSFMSBFS-DOTOQJQBSA-N 2 2 292.398 2.249 10 0 CEAELP Cc1nc([C@@H]2C[N@H+](C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723156 180241404 /nfs/dbraw/zinc/24/14/04/180241404.db2.gz NYKDYMGDIXIZLQ-NSHDSACASA-N 2 2 283.441 2.343 10 0 CEAELP Cc1nc([C@@H]2C[N@@H+](C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723156 180241406 /nfs/dbraw/zinc/24/14/06/180241406.db2.gz NYKDYMGDIXIZLQ-NSHDSACASA-N 2 2 283.441 2.343 10 0 CEAELP CCCN(C[C@H]1C[N@H+](C)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092054906 180314618 /nfs/dbraw/zinc/31/46/18/180314618.db2.gz JNYGTPURVQYGBI-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP CCCN(C[C@H]1C[N@@H+](C)CCO1)C1(C[NH3+])CCCCCC1 ZINC000092054906 180314619 /nfs/dbraw/zinc/31/46/19/180314619.db2.gz JNYGTPURVQYGBI-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP CC[N@H+](C)CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244052 180352201 /nfs/dbraw/zinc/35/22/01/180352201.db2.gz FEGIMEQXLYEVBZ-ZDUSSCGKSA-N 2 2 250.411 2.245 10 0 CEAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092244052 180352203 /nfs/dbraw/zinc/35/22/03/180352203.db2.gz FEGIMEQXLYEVBZ-ZDUSSCGKSA-N 2 2 250.411 2.245 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275334 180356436 /nfs/dbraw/zinc/35/64/36/180356436.db2.gz MZELTBCYYUZKCW-GFCCVEGCSA-N 2 2 273.405 2.442 10 0 CEAELP C[C@H]1CC[NH2+]CC[N@@H+]1CCSc1ccccc1 ZINC000092273141 180356764 /nfs/dbraw/zinc/35/67/64/180356764.db2.gz WSHJRYOQDNYGNB-ZDUSSCGKSA-N 2 2 250.411 2.463 10 0 CEAELP C[C@H]1CC[NH2+]CC[N@H+]1CCSc1ccccc1 ZINC000092273141 180356766 /nfs/dbraw/zinc/35/67/66/180356766.db2.gz WSHJRYOQDNYGNB-ZDUSSCGKSA-N 2 2 250.411 2.463 10 0 CEAELP c1cn(CCCC[NH2+]C[C@@H]2COc3ccccc32)c[nH+]1 ZINC000092300525 180358653 /nfs/dbraw/zinc/35/86/53/180358653.db2.gz BSCZMJNMDCYNNA-CQSZACIVSA-N 2 2 271.364 2.429 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935685 186093481 /nfs/dbraw/zinc/09/34/81/186093481.db2.gz UEXGUOHLXBGBJL-CQSZACIVSA-N 2 2 278.396 2.148 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935685 186093482 /nfs/dbraw/zinc/09/34/82/186093482.db2.gz UEXGUOHLXBGBJL-CQSZACIVSA-N 2 2 278.396 2.148 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000092342880 180366330 /nfs/dbraw/zinc/36/63/30/180366330.db2.gz CGIGRQIAMCLKEA-CQSZACIVSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000092342880 180366331 /nfs/dbraw/zinc/36/63/31/180366331.db2.gz CGIGRQIAMCLKEA-CQSZACIVSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1cc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc[nH+]1 ZINC000092349791 180367255 /nfs/dbraw/zinc/36/72/55/180367255.db2.gz PIAMLPHMTKLUNO-OAHLLOKOSA-N 2 2 267.332 2.216 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366946 180368822 /nfs/dbraw/zinc/36/88/22/180368822.db2.gz BVPGTUSOHTZSSY-JQWIXIFHSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366946 180368824 /nfs/dbraw/zinc/36/88/24/180368824.db2.gz BVPGTUSOHTZSSY-JQWIXIFHSA-N 2 2 265.788 2.165 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000105897225 186085309 /nfs/dbraw/zinc/08/53/09/186085309.db2.gz CDVKOHLHYKTFPZ-KGLIPLIRSA-N 2 2 263.385 2.261 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000105897225 186085310 /nfs/dbraw/zinc/08/53/10/186085310.db2.gz CDVKOHLHYKTFPZ-KGLIPLIRSA-N 2 2 263.385 2.261 10 0 CEAELP CCNc1cc[nH+]c(C[NH+]2CCC(COC)CC2)c1 ZINC000092419280 180382494 /nfs/dbraw/zinc/38/24/94/180382494.db2.gz TYYGUQFELBIGSB-UHFFFAOYSA-N 2 2 263.385 2.372 10 0 CEAELP C[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1n1cc[nH+]c1 ZINC000092386055 180373631 /nfs/dbraw/zinc/37/36/31/180373631.db2.gz DOYRGZFOGRQMOV-CABCVRRESA-N 2 2 257.337 2.340 10 0 CEAELP COCCC[N@H+](C)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384758 180373875 /nfs/dbraw/zinc/37/38/75/180373875.db2.gz MEKPQJDZXZZRND-KRWDZBQOSA-N 2 2 292.423 2.154 10 0 CEAELP COCCC[N@@H+](C)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384758 180373877 /nfs/dbraw/zinc/37/38/77/180373877.db2.gz MEKPQJDZXZZRND-KRWDZBQOSA-N 2 2 292.423 2.154 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)CC1)C(=O)OC ZINC000110809420 186326805 /nfs/dbraw/zinc/32/68/05/186326805.db2.gz WDZMCZONHZJXLC-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](C)CC1)C(=O)OC ZINC000110809420 186326807 /nfs/dbraw/zinc/32/68/07/186326807.db2.gz WDZMCZONHZJXLC-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP CC[N@H+](CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000110944673 186336018 /nfs/dbraw/zinc/33/60/18/186336018.db2.gz CPEPGKWMKFLKEV-OAHLLOKOSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](CCOc1cccc(C)c1)[C@@H]1CCC[NH2+]C1 ZINC000110944673 186336019 /nfs/dbraw/zinc/33/60/19/186336019.db2.gz CPEPGKWMKFLKEV-OAHLLOKOSA-N 2 2 262.397 2.448 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]c1 ZINC000130753641 365988069 /nfs/dbraw/zinc/98/80/69/365988069.db2.gz RZFVZEGOKNTSKB-OAHLLOKOSA-N 2 2 268.364 2.411 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]c1 ZINC000130753641 365988071 /nfs/dbraw/zinc/98/80/71/365988071.db2.gz RZFVZEGOKNTSKB-OAHLLOKOSA-N 2 2 268.364 2.411 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158750 186361880 /nfs/dbraw/zinc/36/18/80/186361880.db2.gz OWKZUWACOADUPB-KKUMJFAQSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158750 186361882 /nfs/dbraw/zinc/36/18/82/186361882.db2.gz OWKZUWACOADUPB-KKUMJFAQSA-N 2 2 254.418 2.252 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160371 186362676 /nfs/dbraw/zinc/36/26/76/186362676.db2.gz VMXLMCHVGKJFCL-SOUVJXGZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160371 186362678 /nfs/dbraw/zinc/36/26/78/186362678.db2.gz VMXLMCHVGKJFCL-SOUVJXGZSA-N 2 2 254.418 2.266 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156671 186363122 /nfs/dbraw/zinc/36/31/22/186363122.db2.gz PCGACCWMIFCUNR-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156671 186363123 /nfs/dbraw/zinc/36/31/23/186363123.db2.gz PCGACCWMIFCUNR-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155425 186360306 /nfs/dbraw/zinc/36/03/06/186360306.db2.gz OLSBOLUZOPHLGV-KBPBESRZSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155425 186360307 /nfs/dbraw/zinc/36/03/07/186360307.db2.gz OLSBOLUZOPHLGV-KBPBESRZSA-N 2 2 256.434 2.497 10 0 CEAELP CO[C@H]1C[N@H+](Cc2cc(C)cc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364811 351713445 /nfs/dbraw/zinc/71/34/45/351713445.db2.gz WCEBKNFAEVKZPC-CVEARBPZSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2cc(C)cc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364811 351713448 /nfs/dbraw/zinc/71/34/48/351713448.db2.gz WCEBKNFAEVKZPC-CVEARBPZSA-N 2 2 262.397 2.242 10 0 CEAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441720 540208571 /nfs/dbraw/zinc/20/85/71/540208571.db2.gz YDFKGTCNTAFYMV-KRWDZBQOSA-N 2 2 274.408 2.110 10 0 CEAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441720 540208573 /nfs/dbraw/zinc/20/85/73/540208573.db2.gz YDFKGTCNTAFYMV-KRWDZBQOSA-N 2 2 274.408 2.110 10 0 CEAELP CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384670197 540212955 /nfs/dbraw/zinc/21/29/55/540212955.db2.gz CWAJSYOJAHIVFM-LSDHHAIUSA-N 2 2 268.445 2.392 10 0 CEAELP CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384670197 540212960 /nfs/dbraw/zinc/21/29/60/540212960.db2.gz CWAJSYOJAHIVFM-LSDHHAIUSA-N 2 2 268.445 2.392 10 0 CEAELP Brc1sccc1C[NH2+]C1CC[NH2+]CC1 ZINC000307487175 538872997 /nfs/dbraw/zinc/87/29/97/538872997.db2.gz VQJPMUHNWRUQSE-UHFFFAOYSA-N 2 2 275.215 2.352 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469476 540357741 /nfs/dbraw/zinc/35/77/41/540357741.db2.gz UOVICICTWURXSE-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469476 540357744 /nfs/dbraw/zinc/35/77/44/540357744.db2.gz UOVICICTWURXSE-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952543 540646356 /nfs/dbraw/zinc/64/63/56/540646356.db2.gz AHNDTSKCLBINEH-CZUORRHYSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952543 540646358 /nfs/dbraw/zinc/64/63/58/540646358.db2.gz AHNDTSKCLBINEH-CZUORRHYSA-N 2 2 297.443 2.199 10 0 CEAELP [NH3+]C[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802587 283506138 /nfs/dbraw/zinc/50/61/38/283506138.db2.gz JVIYNLXGDCSNRR-SECBINFHSA-N 2 2 259.275 2.276 10 0 CEAELP CCCc1noc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178295604 189104144 /nfs/dbraw/zinc/10/41/44/189104144.db2.gz HSKNWEPBGFLAGH-CYBMUJFWSA-N 2 2 289.383 2.192 10 0 CEAELP CCCc1noc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178295604 189104145 /nfs/dbraw/zinc/10/41/45/189104145.db2.gz HSKNWEPBGFLAGH-CYBMUJFWSA-N 2 2 289.383 2.192 10 0 CEAELP C[N@H+](Cc1ccc(Br)nc1)C1CC[NH2+]CC1 ZINC000095070722 364331113 /nfs/dbraw/zinc/33/11/13/364331113.db2.gz NCSMCBCULKOSMP-UHFFFAOYSA-N 2 2 284.201 2.028 10 0 CEAELP C[N@@H+](Cc1ccc(Br)nc1)C1CC[NH2+]CC1 ZINC000095070722 364331124 /nfs/dbraw/zinc/33/11/24/364331124.db2.gz NCSMCBCULKOSMP-UHFFFAOYSA-N 2 2 284.201 2.028 10 0 CEAELP C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000631839176 367579367 /nfs/dbraw/zinc/57/93/67/367579367.db2.gz BKAVHNCATYWCKA-WDEREUQCSA-N 2 2 267.442 2.467 10 0 CEAELP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@H]1C[NH3+] ZINC000631839176 367579370 /nfs/dbraw/zinc/57/93/70/367579370.db2.gz BKAVHNCATYWCKA-WDEREUQCSA-N 2 2 267.442 2.467 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000631843354 367586383 /nfs/dbraw/zinc/58/63/83/367586383.db2.gz MPHOHBNYMHHLHZ-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@H]1C[NH3+] ZINC000631843354 367586387 /nfs/dbraw/zinc/58/63/87/367586387.db2.gz MPHOHBNYMHHLHZ-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114757 368749770 /nfs/dbraw/zinc/74/97/70/368749770.db2.gz JPMHBXSEJLWROR-IAGOWNOFSA-N 2 2 291.439 2.359 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)C12CCOCC2 ZINC000186230146 368941284 /nfs/dbraw/zinc/94/12/84/368941284.db2.gz VAKVSHNZSWGLCD-HOTGVXAUSA-N 2 2 296.455 2.036 10 0 CEAELP C[C@@H]1C[C@H](C[NH3+])CN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000216235449 370183922 /nfs/dbraw/zinc/18/39/22/370183922.db2.gz LHJKUMCJKUCICA-RKDXNWHRSA-N 2 2 259.275 2.274 10 0 CEAELP Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670066 370487012 /nfs/dbraw/zinc/48/70/12/370487012.db2.gz QBJZUJBOAOEZRZ-HNNXBMFYSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670066 370487019 /nfs/dbraw/zinc/48/70/19/370487019.db2.gz QBJZUJBOAOEZRZ-HNNXBMFYSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235362904 370563095 /nfs/dbraw/zinc/56/30/95/370563095.db2.gz IKQIJRPFEXQMTM-ZBFHGGJFSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235362904 370563100 /nfs/dbraw/zinc/56/31/00/370563100.db2.gz IKQIJRPFEXQMTM-ZBFHGGJFSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235362965 370563173 /nfs/dbraw/zinc/56/31/73/370563173.db2.gz DGVNKIUPQWPMFZ-CABCVRRESA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235362965 370563177 /nfs/dbraw/zinc/56/31/77/370563177.db2.gz DGVNKIUPQWPMFZ-CABCVRRESA-N 2 2 262.397 2.351 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1[NH3+] ZINC000235392109 370565086 /nfs/dbraw/zinc/56/50/86/370565086.db2.gz NTOZCVCVWGLFSD-YGRLFVJLSA-N 2 2 259.328 2.153 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1[NH3+] ZINC000235392109 370565088 /nfs/dbraw/zinc/56/50/88/370565088.db2.gz NTOZCVCVWGLFSD-YGRLFVJLSA-N 2 2 259.328 2.153 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000246832900 371018795 /nfs/dbraw/zinc/01/87/95/371018795.db2.gz GXHIUYHMCXDKLT-BFHYXJOUSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000246832900 371018798 /nfs/dbraw/zinc/01/87/98/371018798.db2.gz GXHIUYHMCXDKLT-BFHYXJOUSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247004034 371044535 /nfs/dbraw/zinc/04/45/35/371044535.db2.gz LUDVXDLPAISGLS-VDERGJSUSA-N 2 2 259.397 2.290 10 0 CEAELP C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247004034 371044541 /nfs/dbraw/zinc/04/45/41/371044541.db2.gz LUDVXDLPAISGLS-VDERGJSUSA-N 2 2 259.397 2.290 10 0 CEAELP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248394497 371186186 /nfs/dbraw/zinc/18/61/86/371186186.db2.gz XVIUBGVOCPUGIO-YOEHRIQHSA-N 2 2 294.414 2.409 10 0 CEAELP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248394497 371186189 /nfs/dbraw/zinc/18/61/89/371186189.db2.gz XVIUBGVOCPUGIO-YOEHRIQHSA-N 2 2 294.414 2.409 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)[nH+]c1 ZINC000249921828 371370263 /nfs/dbraw/zinc/37/02/63/371370263.db2.gz YYNDIUDZAYRYDS-HUUCEWRRSA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)[nH+]c1 ZINC000249921828 371370267 /nfs/dbraw/zinc/37/02/67/371370267.db2.gz YYNDIUDZAYRYDS-HUUCEWRRSA-N 2 2 275.396 2.385 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261587401 371665471 /nfs/dbraw/zinc/66/54/71/371665471.db2.gz VANRQSQQQDPKAT-CYZMBNFOSA-N 2 2 265.426 2.436 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261587401 371665472 /nfs/dbraw/zinc/66/54/72/371665472.db2.gz VANRQSQQQDPKAT-CYZMBNFOSA-N 2 2 265.426 2.436 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261695775 371703076 /nfs/dbraw/zinc/70/30/76/371703076.db2.gz BIKQNICHZZKCAU-HOCLYGCPSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261695775 371703078 /nfs/dbraw/zinc/70/30/78/371703078.db2.gz BIKQNICHZZKCAU-HOCLYGCPSA-N 3 2 276.428 2.082 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)no1 ZINC000261848993 371750187 /nfs/dbraw/zinc/75/01/87/371750187.db2.gz VCVXQQDNSDVNFF-NSHDSACASA-N 2 2 292.770 2.171 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)no1 ZINC000261848993 371750194 /nfs/dbraw/zinc/75/01/94/371750194.db2.gz VCVXQQDNSDVNFF-NSHDSACASA-N 2 2 292.770 2.171 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)no1 ZINC000262307224 371848426 /nfs/dbraw/zinc/84/84/26/371848426.db2.gz YKGPBCGZFITARP-AWEZNQCLSA-N 2 2 286.379 2.126 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)no1 ZINC000262307224 371848433 /nfs/dbraw/zinc/84/84/33/371848433.db2.gz YKGPBCGZFITARP-AWEZNQCLSA-N 2 2 286.379 2.126 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000361661562 372011345 /nfs/dbraw/zinc/01/13/45/372011345.db2.gz GLDKOLXISWQMFA-SQWLQELKSA-N 2 2 262.397 2.131 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000361661562 372011352 /nfs/dbraw/zinc/01/13/52/372011352.db2.gz GLDKOLXISWQMFA-SQWLQELKSA-N 2 2 262.397 2.131 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000644616033 373561464 /nfs/dbraw/zinc/56/14/64/373561464.db2.gz FUKRDXHIYJUEHU-AWEZNQCLSA-N 2 2 262.397 2.012 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000644616033 373561471 /nfs/dbraw/zinc/56/14/71/373561471.db2.gz FUKRDXHIYJUEHU-AWEZNQCLSA-N 2 2 262.397 2.012 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000390698915 375312026 /nfs/dbraw/zinc/31/20/26/375312026.db2.gz JIGUNNNHSRFNOY-USXIJHARSA-N 2 2 276.424 2.400 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000390698915 375312030 /nfs/dbraw/zinc/31/20/30/375312030.db2.gz JIGUNNNHSRFNOY-USXIJHARSA-N 2 2 276.424 2.400 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514126 376852191 /nfs/dbraw/zinc/85/21/91/376852191.db2.gz OXISXBBXSZKOIY-AAEUAGOBSA-N 2 2 262.353 2.160 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514126 376852194 /nfs/dbraw/zinc/85/21/94/376852194.db2.gz OXISXBBXSZKOIY-AAEUAGOBSA-N 2 2 262.353 2.160 10 0 CEAELP COC[C@@H](C)C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000188217491 542320551 /nfs/dbraw/zinc/32/05/51/542320551.db2.gz POSNLXFRPLQQHM-GJZGRUSLSA-N 2 2 264.413 2.379 10 0 CEAELP COC[C@@H](C)C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188217491 542320557 /nfs/dbraw/zinc/32/05/57/542320557.db2.gz POSNLXFRPLQQHM-GJZGRUSLSA-N 2 2 264.413 2.379 10 0 CEAELP CCNC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894645 130037517 /nfs/dbraw/zinc/03/75/17/130037517.db2.gz CQHLCBQMXFDQLV-CYBMUJFWSA-N 2 2 286.379 2.049 10 0 CEAELP c1nc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)co1 ZINC000191939240 130333653 /nfs/dbraw/zinc/33/36/53/130333653.db2.gz KIYSMYPTQVQPAV-LBPRGKRZSA-N 2 2 258.325 2.004 10 0 CEAELP c1nc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)co1 ZINC000191939240 130333656 /nfs/dbraw/zinc/33/36/56/130333656.db2.gz KIYSMYPTQVQPAV-LBPRGKRZSA-N 2 2 258.325 2.004 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000250810118 131127341 /nfs/dbraw/zinc/12/73/41/131127341.db2.gz KNICGWURTWFITR-IRXDYDNUSA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000250810118 131127343 /nfs/dbraw/zinc/12/73/43/131127343.db2.gz KNICGWURTWFITR-IRXDYDNUSA-N 2 2 274.408 2.072 10 0 CEAELP CC[NH+](CC)CCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000037211040 134426079 /nfs/dbraw/zinc/42/60/79/134426079.db2.gz MUVCTKWMTQFMTC-HNNXBMFYSA-N 2 2 289.423 2.416 10 0 CEAELP CC[C@@H]1CN(c2ccc([NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000086148774 135039391 /nfs/dbraw/zinc/03/93/91/135039391.db2.gz XLQUAWFHKLTKBU-CQSZACIVSA-N 2 2 259.397 2.475 10 0 CEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396567527 395215865 /nfs/dbraw/zinc/21/58/65/395215865.db2.gz MPISNEWIDGJPSQ-SLEUVZQESA-N 2 2 278.396 2.495 10 0 CEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396567526 395216138 /nfs/dbraw/zinc/21/61/38/395216138.db2.gz MPISNEWIDGJPSQ-HUBLWGQQSA-N 2 2 278.396 2.495 10 0 CEAELP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000190592348 395340660 /nfs/dbraw/zinc/34/06/60/395340660.db2.gz BJWJADPSJNLSDW-KFWWJZLASA-N 2 2 275.396 2.383 10 0 CEAELP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000190592348 395340666 /nfs/dbraw/zinc/34/06/66/395340666.db2.gz BJWJADPSJNLSDW-KFWWJZLASA-N 2 2 275.396 2.383 10 0 CEAELP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000234927402 286307855 /nfs/dbraw/zinc/30/78/55/286307855.db2.gz VCAZATKKAWEIEX-TZMCWYRMSA-N 2 2 278.396 2.263 10 0 CEAELP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1OC ZINC000234927402 286307857 /nfs/dbraw/zinc/30/78/57/286307857.db2.gz VCAZATKKAWEIEX-TZMCWYRMSA-N 2 2 278.396 2.263 10 0 CEAELP Cc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000195515785 153292299 /nfs/dbraw/zinc/29/22/99/153292299.db2.gz ODOJJBLLTZAENN-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000195515785 153292301 /nfs/dbraw/zinc/29/23/01/153292301.db2.gz ODOJJBLLTZAENN-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516211 153293747 /nfs/dbraw/zinc/29/37/47/153293747.db2.gz IBWXSNBSVODIIF-CYBMUJFWSA-N 2 2 287.367 2.015 10 0 CEAELP Cc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000195516211 153293753 /nfs/dbraw/zinc/29/37/53/153293753.db2.gz IBWXSNBSVODIIF-CYBMUJFWSA-N 2 2 287.367 2.015 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOC(C)C ZINC000178288804 165230136 /nfs/dbraw/zinc/23/01/36/165230136.db2.gz SXYWBVZMGHLZFQ-CQSZACIVSA-N 2 2 251.374 2.081 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOC(C)C ZINC000178288804 165230132 /nfs/dbraw/zinc/23/01/32/165230132.db2.gz SXYWBVZMGHLZFQ-CQSZACIVSA-N 2 2 251.374 2.081 10 0 CEAELP C[C@H](NC(=O)C[NH2+]CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862676 165264920 /nfs/dbraw/zinc/26/49/20/165264920.db2.gz DLBGOURUFJKHSP-ZDUSSCGKSA-N 2 2 298.390 2.049 10 0 CEAELP C[NH+](C)[C@@H](C[NH3+])CCOc1ccc2c(c1)CCCC2 ZINC000019663881 170833739 /nfs/dbraw/zinc/83/37/39/170833739.db2.gz ZEAKJBOWLZZYLO-OAHLLOKOSA-N 2 2 262.397 2.223 10 0 CEAELP [NH3+]C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020521643 171235038 /nfs/dbraw/zinc/23/50/38/171235038.db2.gz YZUIUMRARJTWSP-UHFFFAOYSA-N 3 2 273.424 2.074 10 0 CEAELP CCC[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000035449770 172204242 /nfs/dbraw/zinc/20/42/42/172204242.db2.gz CGUULXUNMYTWNK-UHFFFAOYSA-N 2 2 255.325 2.020 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1cccc(F)c1)[C@@H]1CCSC1 ZINC000037174490 173009067 /nfs/dbraw/zinc/00/90/67/173009067.db2.gz GPVQNGNNGSLYJT-OLZOCXBDSA-N 2 2 254.374 2.263 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(F)c1)[C@@H]1CCSC1 ZINC000037174490 173009068 /nfs/dbraw/zinc/00/90/68/173009068.db2.gz GPVQNGNNGSLYJT-OLZOCXBDSA-N 2 2 254.374 2.263 10 0 CEAELP [NH3+]CCCc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000037441201 173211104 /nfs/dbraw/zinc/21/11/04/173211104.db2.gz RVVCKNCZTGLGQV-UHFFFAOYSA-N 2 2 254.131 2.217 10 0 CEAELP CCN1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000040502830 174299121 /nfs/dbraw/zinc/29/91/21/174299121.db2.gz DXOVPGFONMYUFT-MRXNPFEDSA-N 2 2 284.407 2.446 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600030 174350239 /nfs/dbraw/zinc/35/02/39/174350239.db2.gz XCWGPQNSFBOTAU-CYBMUJFWSA-N 2 2 286.379 2.168 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600030 174350240 /nfs/dbraw/zinc/35/02/40/174350240.db2.gz XCWGPQNSFBOTAU-CYBMUJFWSA-N 2 2 286.379 2.168 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1F ZINC000040749251 174394179 /nfs/dbraw/zinc/39/41/79/174394179.db2.gz YOJHPSUYGJMISQ-YHWZYXNKSA-N 2 2 252.308 2.419 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1F ZINC000040749251 174394181 /nfs/dbraw/zinc/39/41/81/174394181.db2.gz YOJHPSUYGJMISQ-YHWZYXNKSA-N 2 2 252.308 2.419 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCCSCC1 ZINC000043354053 175021742 /nfs/dbraw/zinc/02/17/42/175021742.db2.gz LZKZKXZPHOYILT-KBPBESRZSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCCSCC1 ZINC000043354053 175021744 /nfs/dbraw/zinc/02/17/44/175021744.db2.gz LZKZKXZPHOYILT-KBPBESRZSA-N 2 2 265.426 2.299 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394496 175035267 /nfs/dbraw/zinc/03/52/67/175035267.db2.gz OHNOMHKAGWCLSX-RDJZCZTQSA-N 2 2 294.439 2.287 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1cc(C)cc(C)c1)[C@@H](C)COC ZINC000043394496 175035269 /nfs/dbraw/zinc/03/52/69/175035269.db2.gz OHNOMHKAGWCLSX-RDJZCZTQSA-N 2 2 294.439 2.287 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000043891288 175118071 /nfs/dbraw/zinc/11/80/71/175118071.db2.gz ZOHQOPKVMLZBDD-QWHCGFSZSA-N 2 2 278.396 2.196 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000043891288 175118073 /nfs/dbraw/zinc/11/80/73/175118073.db2.gz ZOHQOPKVMLZBDD-QWHCGFSZSA-N 2 2 278.396 2.196 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897820 175120543 /nfs/dbraw/zinc/12/05/43/175120543.db2.gz XMYCCVFHEJTVOC-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897820 175120545 /nfs/dbraw/zinc/12/05/45/175120545.db2.gz XMYCCVFHEJTVOC-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[NH+](CC(C)C)CC(C)C)OCCO2 ZINC000043909589 175123276 /nfs/dbraw/zinc/12/32/76/175123276.db2.gz PZZFYMURBOBVBG-HZPDHXFCSA-N 2 2 298.471 2.484 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](CCOC)C2CC2)C1 ZINC000043969657 175130411 /nfs/dbraw/zinc/13/04/11/175130411.db2.gz NODBVMLBYZXDED-VHDGCEQUSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](CCOC)C2CC2)C1 ZINC000043969657 175130413 /nfs/dbraw/zinc/13/04/13/175130413.db2.gz NODBVMLBYZXDED-VHDGCEQUSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969814 175131113 /nfs/dbraw/zinc/13/11/13/175131113.db2.gz UPYJAAYHJPVEHG-IRXDYDNUSA-N 2 2 274.408 2.373 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969814 175131114 /nfs/dbraw/zinc/13/11/14/175131114.db2.gz UPYJAAYHJPVEHG-IRXDYDNUSA-N 2 2 274.408 2.373 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969898 175131529 /nfs/dbraw/zinc/13/15/29/175131529.db2.gz AZZRDQSOUYUTTF-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969898 175131530 /nfs/dbraw/zinc/13/15/30/175131530.db2.gz AZZRDQSOUYUTTF-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)CC)[NH2+]C1CC1 ZINC000045382769 175371260 /nfs/dbraw/zinc/37/12/60/175371260.db2.gz GVMXLDRVMNOVGF-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)CC)[NH2+]C1CC1 ZINC000045382769 175371261 /nfs/dbraw/zinc/37/12/61/175371261.db2.gz GVMXLDRVMNOVGF-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419982 175377688 /nfs/dbraw/zinc/37/76/88/175377688.db2.gz YDZFXMGQSCAHJJ-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419982 175377689 /nfs/dbraw/zinc/37/76/89/175377689.db2.gz YDZFXMGQSCAHJJ-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941171 176015136 /nfs/dbraw/zinc/01/51/36/176015136.db2.gz CAHXZGNXKRWYKZ-OAHLLOKOSA-N 2 2 278.396 2.004 10 0 CEAELP CCC[N@H+](CC(=O)OCC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070941171 176015137 /nfs/dbraw/zinc/01/51/37/176015137.db2.gz CAHXZGNXKRWYKZ-OAHLLOKOSA-N 2 2 278.396 2.004 10 0 CEAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975436 176017933 /nfs/dbraw/zinc/01/79/33/176017933.db2.gz RITHOJMOUBXIBB-ZDUSSCGKSA-N 2 2 275.396 2.217 10 0 CEAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975436 176017935 /nfs/dbraw/zinc/01/79/35/176017935.db2.gz RITHOJMOUBXIBB-ZDUSSCGKSA-N 2 2 275.396 2.217 10 0 CEAELP CC[NH2+]C1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044397 176029988 /nfs/dbraw/zinc/02/99/88/176029988.db2.gz WFXQQFGIBKRULV-KRWDZBQOSA-N 2 2 274.408 2.374 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122575 176035080 /nfs/dbraw/zinc/03/50/80/176035080.db2.gz ZEAMSEUYUQTBOH-LJISPDSOSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122575 176035081 /nfs/dbraw/zinc/03/50/81/176035081.db2.gz ZEAMSEUYUQTBOH-LJISPDSOSA-N 2 2 254.418 2.393 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191318 176069598 /nfs/dbraw/zinc/06/95/98/176069598.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191318 176069600 /nfs/dbraw/zinc/06/96/00/176069600.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191318 176069602 /nfs/dbraw/zinc/06/96/02/176069602.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191318 176069603 /nfs/dbraw/zinc/06/96/03/176069603.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 3 2 281.488 2.284 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000071192037 176072823 /nfs/dbraw/zinc/07/28/23/176072823.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C ZINC000071192037 176072825 /nfs/dbraw/zinc/07/28/25/176072825.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192037 176072827 /nfs/dbraw/zinc/07/28/27/176072827.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C ZINC000071192037 176072828 /nfs/dbraw/zinc/07/28/28/176072828.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071314871 176120818 /nfs/dbraw/zinc/12/08/18/176120818.db2.gz UIISZUGATUAGHZ-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071314871 176120819 /nfs/dbraw/zinc/12/08/19/176120819.db2.gz UIISZUGATUAGHZ-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342688 176130308 /nfs/dbraw/zinc/13/03/08/176130308.db2.gz NJYVVWBNYCSRDK-OAHLLOKOSA-N 2 2 278.444 2.372 10 0 CEAELP CC(C)C[C@@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342688 176130309 /nfs/dbraw/zinc/13/03/09/176130309.db2.gz NJYVVWBNYCSRDK-OAHLLOKOSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342526 176130490 /nfs/dbraw/zinc/13/04/90/176130490.db2.gz MLJBLLZFAFQSGL-HUUCEWRRSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@@H](C)[C@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342526 176130491 /nfs/dbraw/zinc/13/04/91/176130491.db2.gz MLJBLLZFAFQSGL-HUUCEWRRSA-N 2 2 278.444 2.372 10 0 CEAELP CCC1(CC)C[NH2+]C2(CCCC2)C[N@@H+]1CCOCCOC ZINC000071359087 176137328 /nfs/dbraw/zinc/13/73/28/176137328.db2.gz BGTUQAPGXTYCMF-UHFFFAOYSA-N 2 2 298.471 2.426 10 0 CEAELP CCC1(CC)C[NH2+]C2(CCCC2)C[N@H+]1CCOCCOC ZINC000071359087 176137330 /nfs/dbraw/zinc/13/73/30/176137330.db2.gz BGTUQAPGXTYCMF-UHFFFAOYSA-N 2 2 298.471 2.426 10 0 CEAELP [NH3+][C@H](CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000071401975 176153702 /nfs/dbraw/zinc/15/37/02/176153702.db2.gz WFZDMERMEUVDPR-NVXWUHKLSA-N 3 2 273.424 2.293 10 0 CEAELP [NH3+][C@H](CCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000071401975 176153703 /nfs/dbraw/zinc/15/37/03/176153703.db2.gz WFZDMERMEUVDPR-NVXWUHKLSA-N 3 2 273.424 2.293 10 0 CEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666885657 419455259 /nfs/dbraw/zinc/45/52/59/419455259.db2.gz KNDXLEMACNSNEF-SWLSCSKDSA-N 2 2 255.365 2.465 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)CC1 ZINC000038098217 276151530 /nfs/dbraw/zinc/15/15/30/276151530.db2.gz ZZGNBAOBTDQYNV-OAHLLOKOSA-N 2 2 287.407 2.168 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810699 276376016 /nfs/dbraw/zinc/37/60/16/276376016.db2.gz IYZJAMURRGKJBI-GRYCIOLGSA-N 2 2 280.334 2.170 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810699 276376017 /nfs/dbraw/zinc/37/60/17/276376017.db2.gz IYZJAMURRGKJBI-GRYCIOLGSA-N 2 2 280.334 2.170 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325847 278349747 /nfs/dbraw/zinc/34/97/47/278349747.db2.gz VLCAVSGWBWPFQG-CZUORRHYSA-N 2 2 280.387 2.323 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1CCOCC1(C)C ZINC000052546081 519727816 /nfs/dbraw/zinc/72/78/16/519727816.db2.gz WIKYKVIWWSWFFQ-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+]1CCOCC1(C)C ZINC000052546081 519727817 /nfs/dbraw/zinc/72/78/17/519727817.db2.gz WIKYKVIWWSWFFQ-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476456 519973045 /nfs/dbraw/zinc/97/30/45/519973045.db2.gz TUCBKWAMNHTDPI-QWHCGFSZSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+][C@@H](C[NH+]1CCC(OCC)CC1)C1CC1 ZINC000069074006 520009376 /nfs/dbraw/zinc/00/93/76/520009376.db2.gz XUPIDDQCTXOIFW-HNNXBMFYSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]Cc1coc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540282 520018633 /nfs/dbraw/zinc/01/86/33/520018633.db2.gz BJVUOUOUSSGJIN-LSDHHAIUSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1coc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540282 520018638 /nfs/dbraw/zinc/01/86/38/520018638.db2.gz BJVUOUOUSSGJIN-LSDHHAIUSA-N 2 2 264.369 2.142 10 0 CEAELP CCO[C@H](C[NH3+])CCn1c(CC)[nH+]c2ccccc21 ZINC000062807377 520517948 /nfs/dbraw/zinc/51/79/48/520517948.db2.gz MHZDBSBFQBVQJQ-LBPRGKRZSA-N 2 2 261.369 2.353 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000054555002 519803344 /nfs/dbraw/zinc/80/33/44/519803344.db2.gz NJESYGWAKCCXFN-ARILJUKYSA-N 2 2 254.418 2.248 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000054555002 519803345 /nfs/dbraw/zinc/80/33/45/519803345.db2.gz NJESYGWAKCCXFN-ARILJUKYSA-N 2 2 254.418 2.248 10 0 CEAELP CC[NH2+]C[C@@H](c1ccccc1)[N@H+](C)C1CCOCC1 ZINC000052481293 519949106 /nfs/dbraw/zinc/94/91/06/519949106.db2.gz UMFMGIUEOCIHCI-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000052481293 519949112 /nfs/dbraw/zinc/94/91/12/519949112.db2.gz UMFMGIUEOCIHCI-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476456 519973038 /nfs/dbraw/zinc/97/30/38/519973038.db2.gz TUCBKWAMNHTDPI-QWHCGFSZSA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000052381011 520028450 /nfs/dbraw/zinc/02/84/50/520028450.db2.gz WVQSFBCRVCCIKH-STQMWFEESA-N 2 2 266.385 2.307 10 0 CEAELP CCC[NH2+][C@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068641972 520114334 /nfs/dbraw/zinc/11/43/34/520114334.db2.gz LOLZMQKLYYXBNK-SUMWQHHRSA-N 2 2 289.423 2.024 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000054555356 520217540 /nfs/dbraw/zinc/21/75/40/520217540.db2.gz WIODYYJSBSQOGI-ILXRZTDVSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000054555356 520217546 /nfs/dbraw/zinc/21/75/46/520217546.db2.gz WIODYYJSBSQOGI-ILXRZTDVSA-N 2 2 256.434 2.367 10 0 CEAELP CCO[C@H](C[NH3+])CCn1cc[nH+]c1-c1ccccc1 ZINC000062741441 520518151 /nfs/dbraw/zinc/51/81/51/520518151.db2.gz KNWLPZQJGMPEQS-AWEZNQCLSA-N 2 2 259.353 2.304 10 0 CEAELP CCC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697591 520842696 /nfs/dbraw/zinc/84/26/96/520842696.db2.gz VGMVVZSTSORQFG-DZGCQCFKSA-N 2 2 272.396 2.297 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069237572 520967231 /nfs/dbraw/zinc/96/72/31/520967231.db2.gz IQGNCYFWBKZFHI-AWEZNQCLSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069237572 520967238 /nfs/dbraw/zinc/96/72/38/520967238.db2.gz IQGNCYFWBKZFHI-AWEZNQCLSA-N 2 2 278.396 2.436 10 0 CEAELP CCCC[C@@](CC)(C(=O)OCC)[N@@H+]1CCC[NH2+]CC1 ZINC000069381850 521121191 /nfs/dbraw/zinc/12/11/91/521121191.db2.gz UZJLNHNAKWHTPL-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CCCC[C@@](CC)(C(=O)OCC)[N@H+]1CCC[NH2+]CC1 ZINC000069381850 521121195 /nfs/dbraw/zinc/12/11/95/521121195.db2.gz UZJLNHNAKWHTPL-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CCCC[C@H](CC)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068804730 521178971 /nfs/dbraw/zinc/17/89/71/521178971.db2.gz YSFLOOPAIOSRPS-LSDHHAIUSA-N 2 2 255.450 2.038 10 0 CEAELP CCCC[C@H](CC)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068804730 521178977 /nfs/dbraw/zinc/17/89/77/521178977.db2.gz YSFLOOPAIOSRPS-LSDHHAIUSA-N 2 2 255.450 2.038 10 0 CEAELP CN(C)C[C@@H]1CCC[N@@H+]1Cc1c2ccccc2oc1C[NH3+] ZINC000061654397 521837545 /nfs/dbraw/zinc/83/75/45/521837545.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP CN(C)C[C@@H]1CCC[N@H+]1Cc1c2ccccc2oc1C[NH3+] ZINC000061654397 521837551 /nfs/dbraw/zinc/83/75/51/521837551.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP COCCn1c(CCC(C)(C)[NH3+])[nH+]c2ccccc21 ZINC000052125547 522063951 /nfs/dbraw/zinc/06/39/51/522063951.db2.gz BPGYDKOSLJJNHT-UHFFFAOYSA-N 2 2 261.369 2.353 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418164 522064459 /nfs/dbraw/zinc/06/44/59/522064459.db2.gz KOZGZYFLRAIHRK-MRXNPFEDSA-N 2 2 279.403 2.192 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571052 523352169 /nfs/dbraw/zinc/35/21/69/523352169.db2.gz ZUZDWXQIIPBKFR-NEPJUHHUSA-N 2 2 252.358 2.046 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571052 523352172 /nfs/dbraw/zinc/35/21/72/523352172.db2.gz ZUZDWXQIIPBKFR-NEPJUHHUSA-N 2 2 252.358 2.046 10 0 CEAELP C[N@H+](Cc1ccccc1)[C@]1(C[NH3+])CCCSC1 ZINC000061589912 523355090 /nfs/dbraw/zinc/35/50/90/523355090.db2.gz NMXWCJJHNXGPQH-AWEZNQCLSA-N 2 2 250.411 2.343 10 0 CEAELP C[N@@H+](Cc1ccccc1)[C@]1(C[NH3+])CCCSC1 ZINC000061589912 523355096 /nfs/dbraw/zinc/35/50/96/523355096.db2.gz NMXWCJJHNXGPQH-AWEZNQCLSA-N 2 2 250.411 2.343 10 0 CEAELP C[N@H+](Cc1ccccn1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624651 523398678 /nfs/dbraw/zinc/39/86/78/523398678.db2.gz YBDBGNLWAILURR-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1ccccn1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624651 523398685 /nfs/dbraw/zinc/39/86/85/523398685.db2.gz YBDBGNLWAILURR-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570733 523517986 /nfs/dbraw/zinc/51/79/86/523517986.db2.gz IORBOYVXKHWAHS-YUELXQCFSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570733 523517996 /nfs/dbraw/zinc/51/79/96/523517996.db2.gz IORBOYVXKHWAHS-YUELXQCFSA-N 2 2 254.418 2.262 10 0 CEAELP COCC[N@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052572737 523623114 /nfs/dbraw/zinc/62/31/14/523623114.db2.gz HNUIDBFCXODZDL-UHFFFAOYSA-N 2 2 271.430 2.109 10 0 CEAELP COCC[N@@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052572737 523623125 /nfs/dbraw/zinc/62/31/25/523623125.db2.gz HNUIDBFCXODZDL-UHFFFAOYSA-N 2 2 271.430 2.109 10 0 CEAELP C[C@H]1CN(Cc2cn3ccccc3[nH+]2)C2(CCCC2)C[NH2+]1 ZINC000068698743 524639897 /nfs/dbraw/zinc/63/98/97/524639897.db2.gz HAALEBODFCSJRV-AWEZNQCLSA-N 2 2 284.407 2.441 10 0 CEAELP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419802 524733558 /nfs/dbraw/zinc/73/35/58/524733558.db2.gz BACQQDZKWOJJQH-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419802 524733566 /nfs/dbraw/zinc/73/35/66/524733566.db2.gz BACQQDZKWOJJQH-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP COc1cccc(C[N@H+](C)[C@@]2(C[NH3+])CCCSC2)c1 ZINC000061590134 525917648 /nfs/dbraw/zinc/91/76/48/525917648.db2.gz GXWITYNOONFZBT-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCSC2)c1 ZINC000061590134 525917660 /nfs/dbraw/zinc/91/76/60/525917660.db2.gz GXWITYNOONFZBT-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP c1cc(N2CCC([NH2+]CC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000049574758 526431562 /nfs/dbraw/zinc/43/15/62/526431562.db2.gz PQPSMLRGODPXAP-UHFFFAOYSA-N 3 2 288.439 2.126 10 0 CEAELP Cc1[nH]c(CNCC2([NH+](C)C)CCCCC2)c[nH+]1 ZINC000054798187 526887159 /nfs/dbraw/zinc/88/71/59/526887159.db2.gz XQQBZQVLAPRLIW-UHFFFAOYSA-N 2 2 250.390 2.072 10 0 CEAELP Cc1[nH]cc(CNCC2([NH+](C)C)CCCCC2)[nH+]1 ZINC000054798187 526887162 /nfs/dbraw/zinc/88/71/62/526887162.db2.gz XQQBZQVLAPRLIW-UHFFFAOYSA-N 2 2 250.390 2.072 10 0 CEAELP NC(=O)[C@@H]([NH3+])CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000062437485 526955015 /nfs/dbraw/zinc/95/50/15/526955015.db2.gz KBIDKPHASCYNPM-HNNXBMFYSA-N 2 2 281.444 2.157 10 0 CEAELP Cn1cc[nH+]c1CCn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000052854834 527428618 /nfs/dbraw/zinc/42/86/18/527428618.db2.gz AUTRFOSTJYMSNY-UHFFFAOYSA-N 2 2 281.363 2.472 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]CCCOc1ccccc1 ZINC000061815779 527429897 /nfs/dbraw/zinc/42/98/97/527429897.db2.gz VOABGHXCCXPURT-UHFFFAOYSA-N 2 2 259.353 2.021 10 0 CEAELP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)s1 ZINC000399083611 628774160 /nfs/dbraw/zinc/77/41/60/628774160.db2.gz SXWAAHBQZYDSOA-GFCCVEGCSA-N 2 2 268.426 2.164 10 0 CEAELP Brc1ccc(-n2c[nH+]cc2[C@@H]2CC[NH2+]C2)nc1 ZINC000097014100 185151242 /nfs/dbraw/zinc/15/12/42/185151242.db2.gz KXMKUOIAZQUTJJ-SECBINFHSA-N 2 2 293.168 2.107 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130257 344576820 /nfs/dbraw/zinc/57/68/20/344576820.db2.gz TXBFKDYLLPIJQB-CVEARBPZSA-N 2 2 270.461 2.494 10 0 CEAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000584633714 344970412 /nfs/dbraw/zinc/97/04/12/344970412.db2.gz IZMCMZQESIQXER-ARFHVFGLSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000584633714 344970416 /nfs/dbraw/zinc/97/04/16/344970416.db2.gz IZMCMZQESIQXER-ARFHVFGLSA-N 2 2 260.381 2.015 10 0 CEAELP C[NH2+][C@@H](COc1ccc(Cl)cc1)Cc1[nH+]ccn1C ZINC000097310036 185584144 /nfs/dbraw/zinc/58/41/44/185584144.db2.gz CIAVNSAKDQYVRE-GFCCVEGCSA-N 2 2 279.771 2.283 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C)CN1CCn1cc[nH+]c1C ZINC000085454309 179066775 /nfs/dbraw/zinc/06/67/75/179066775.db2.gz WLBZIWZTAMGULA-ZDUSSCGKSA-N 2 2 264.417 2.044 10 0 CEAELP CCOCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512022 179085775 /nfs/dbraw/zinc/08/57/75/179085775.db2.gz OIVRASAONNGWOV-HUUCEWRRSA-N 2 2 254.418 2.121 10 0 CEAELP CCOCC[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512022 179085776 /nfs/dbraw/zinc/08/57/76/179085776.db2.gz OIVRASAONNGWOV-HUUCEWRRSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@@]1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085497161 179082846 /nfs/dbraw/zinc/08/28/46/179082846.db2.gz ADSJQDLIUALDPW-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@]1(C)C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085497161 179082847 /nfs/dbraw/zinc/08/28/47/179082847.db2.gz ADSJQDLIUALDPW-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623898 179106634 /nfs/dbraw/zinc/10/66/34/179106634.db2.gz DXZYPSLJWLFJNJ-BBRMVZONSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1CC1CCOCC1 ZINC000085623898 179106635 /nfs/dbraw/zinc/10/66/35/179106635.db2.gz DXZYPSLJWLFJNJ-BBRMVZONSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623891 179106651 /nfs/dbraw/zinc/10/66/51/179106651.db2.gz DXZYPSLJWLFJNJ-CZUORRHYSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1CC1CCOCC1 ZINC000085623891 179106652 /nfs/dbraw/zinc/10/66/52/179106652.db2.gz DXZYPSLJWLFJNJ-CZUORRHYSA-N 2 2 266.429 2.266 10 0 CEAELP CCC1(CC)C[N@H+](CCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000085617342 179103970 /nfs/dbraw/zinc/10/39/70/179103970.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 3 2 264.417 2.127 10 0 CEAELP CCC1(CC)C[N@@H+](CCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000085617342 179103972 /nfs/dbraw/zinc/10/39/72/179103972.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 3 2 264.417 2.127 10 0 CEAELP CC[C@]1(C)C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085617094 179104153 /nfs/dbraw/zinc/10/41/53/179104153.db2.gz JUDQUOUDYVWNBW-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@]1(C)C[N@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085617094 179104155 /nfs/dbraw/zinc/10/41/55/179104155.db2.gz JUDQUOUDYVWNBW-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000085707137 179121886 /nfs/dbraw/zinc/12/18/86/179121886.db2.gz QYKWWPXMPWCOFI-NSHDSACASA-N 2 2 257.175 2.367 10 0 CEAELP CC(C)[N@H+](Cc1cccs1)C[C@@]1([NH3+])CCOC1 ZINC000085914793 179198041 /nfs/dbraw/zinc/19/80/41/179198041.db2.gz IBZTYIBTIFMBHZ-ZDUSSCGKSA-N 2 2 254.399 2.076 10 0 CEAELP CC(C)[N@@H+](Cc1cccs1)C[C@@]1([NH3+])CCOC1 ZINC000085914793 179198042 /nfs/dbraw/zinc/19/80/42/179198042.db2.gz IBZTYIBTIFMBHZ-ZDUSSCGKSA-N 2 2 254.399 2.076 10 0 CEAELP COC[C@H](C)[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086180051 179246623 /nfs/dbraw/zinc/24/66/23/179246623.db2.gz HFZOCIMTONZWIL-MJBXVCDLSA-N 2 2 256.434 2.366 10 0 CEAELP COC[C@H](C)[N@H+]1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086180051 179246624 /nfs/dbraw/zinc/24/66/24/179246624.db2.gz HFZOCIMTONZWIL-MJBXVCDLSA-N 2 2 256.434 2.366 10 0 CEAELP COC[C@H](C)C[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086260952 179260080 /nfs/dbraw/zinc/26/00/80/179260080.db2.gz JXGGTKZYAPSPPO-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP COC[C@H](C)C[N@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086260952 179260083 /nfs/dbraw/zinc/26/00/83/179260083.db2.gz JXGGTKZYAPSPPO-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264890 179260940 /nfs/dbraw/zinc/26/09/40/179260940.db2.gz WRSWLRHEVILHOL-KGLIPLIRSA-N 2 2 278.444 2.265 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296404 179267382 /nfs/dbraw/zinc/26/73/82/179267382.db2.gz PZJUAIOLKFPIIU-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296404 179267385 /nfs/dbraw/zinc/26/73/85/179267385.db2.gz PZJUAIOLKFPIIU-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130230189 365936514 /nfs/dbraw/zinc/93/65/14/365936514.db2.gz OQKDNFXVWXNZBB-GUTXKFCHSA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230189 365936517 /nfs/dbraw/zinc/93/65/17/365936517.db2.gz OQKDNFXVWXNZBB-GUTXKFCHSA-N 2 2 258.365 2.337 10 0 CEAELP C[NH2+][C@]1(c2nc3c(s2)CCC3)CCC[N@H+](C)CC1 ZINC000086833651 179349755 /nfs/dbraw/zinc/34/97/55/179349755.db2.gz XUOLJFUTPDYGKY-CQSZACIVSA-N 2 2 265.426 2.162 10 0 CEAELP C[NH2+][C@]1(c2nc3c(s2)CCC3)CCC[N@@H+](C)CC1 ZINC000086833651 179349757 /nfs/dbraw/zinc/34/97/57/179349757.db2.gz XUOLJFUTPDYGKY-CQSZACIVSA-N 2 2 265.426 2.162 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817428 179344738 /nfs/dbraw/zinc/34/47/38/179344738.db2.gz ZFFULUFZEJUXAG-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817428 179344741 /nfs/dbraw/zinc/34/47/41/179344741.db2.gz ZFFULUFZEJUXAG-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CCc1nc([C@]2([NH3+])CCC[N@H+](C)CC2)sc1C ZINC000086833634 179350422 /nfs/dbraw/zinc/35/04/22/179350422.db2.gz PGTXKBYNBSRAPN-ZDUSSCGKSA-N 2 2 253.415 2.284 10 0 CEAELP CCc1nc([C@]2([NH3+])CCC[N@@H+](C)CC2)sc1C ZINC000086833634 179350426 /nfs/dbraw/zinc/35/04/26/179350426.db2.gz PGTXKBYNBSRAPN-ZDUSSCGKSA-N 2 2 253.415 2.284 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842804 179354084 /nfs/dbraw/zinc/35/40/84/179354084.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842804 179354087 /nfs/dbraw/zinc/35/40/87/179354087.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 3 2 267.461 2.323 10 0 CEAELP C[N@H+](Cc1ccsc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874932 179364959 /nfs/dbraw/zinc/36/49/59/179364959.db2.gz WJQQGWSZYKHEBW-CYBMUJFWSA-N 2 2 254.399 2.078 10 0 CEAELP C[N@@H+](Cc1ccsc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874932 179364961 /nfs/dbraw/zinc/36/49/61/179364961.db2.gz WJQQGWSZYKHEBW-CYBMUJFWSA-N 2 2 254.399 2.078 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCOCC1 ZINC000086873187 179364670 /nfs/dbraw/zinc/36/46/70/179364670.db2.gz GWKQMBSXNXORIN-KBPBESRZSA-N 2 2 265.401 2.457 10 0 CEAELP CC(C)[C@H]1CCC[C@@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952259 179369028 /nfs/dbraw/zinc/36/90/28/179369028.db2.gz HIEUQSXFQXBRCO-LSDHHAIUSA-N 2 2 256.434 2.105 10 0 CEAELP COCCC[C@@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000086963638 179369692 /nfs/dbraw/zinc/36/96/92/179369692.db2.gz BWKQSQUWDNMCDN-GFCCVEGCSA-N 2 2 252.358 2.003 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922507 187399139 /nfs/dbraw/zinc/39/91/39/187399139.db2.gz STOMTOODRCHJHU-CABCVRRESA-N 3 2 255.450 2.085 10 0 CEAELP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400712775 233181108 /nfs/dbraw/zinc/18/11/08/233181108.db2.gz DVSANVXTLQVXSD-GHMZBOCLSA-N 2 2 268.788 2.436 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+][C@@H](CC)c1nccs1 ZINC000090567119 180006733 /nfs/dbraw/zinc/00/67/33/180006733.db2.gz WUSCXKCYSVVDHE-RWMBFGLXSA-N 2 2 283.441 2.198 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873643 180049915 /nfs/dbraw/zinc/04/99/15/180049915.db2.gz ZMKMEJXDGOKTBA-QEJZJMRPSA-N 2 2 260.381 2.192 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873643 180049917 /nfs/dbraw/zinc/04/99/17/180049917.db2.gz ZMKMEJXDGOKTBA-QEJZJMRPSA-N 2 2 260.381 2.192 10 0 CEAELP C[N@H+](C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900154 180059078 /nfs/dbraw/zinc/05/90/78/180059078.db2.gz XNAZLQULNXJWAI-ZIAGYGMSSA-N 2 2 280.799 2.327 10 0 CEAELP C[N@@H+](C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900154 180059079 /nfs/dbraw/zinc/05/90/79/180059079.db2.gz XNAZLQULNXJWAI-ZIAGYGMSSA-N 2 2 280.799 2.327 10 0 CEAELP [NH3+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907481 180061795 /nfs/dbraw/zinc/06/17/95/180061795.db2.gz FGHFJJYMLYGNDM-QLFBSQMISA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907481 180061797 /nfs/dbraw/zinc/06/17/97/180061797.db2.gz FGHFJJYMLYGNDM-QLFBSQMISA-N 2 2 264.344 2.079 10 0 CEAELP Nc1ccsc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000090960537 180075402 /nfs/dbraw/zinc/07/54/02/180075402.db2.gz GCCKJOGNXXHLKX-UHFFFAOYSA-N 2 2 250.371 2.097 10 0 CEAELP CC[NH2+]Cc1cccn1Cc1[nH+]ccn1C(F)F ZINC000090996049 180083389 /nfs/dbraw/zinc/08/33/89/180083389.db2.gz GRHHUSGPFWKCLP-UHFFFAOYSA-N 2 2 254.284 2.238 10 0 CEAELP CC[C@@H]([NH3+])Cc1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091006174 180084742 /nfs/dbraw/zinc/08/47/42/180084742.db2.gz OCCSXCMONQYINY-CQSZACIVSA-N 2 2 268.364 2.464 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@@H]1CSCC[NH2+]1)n2C ZINC000091128500 180100132 /nfs/dbraw/zinc/10/01/32/180100132.db2.gz MDJGCAXPRULAIP-LLVKDONJSA-N 2 2 261.394 2.129 10 0 CEAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320827 180133793 /nfs/dbraw/zinc/13/37/93/180133793.db2.gz FXGPGZWXXIOYAQ-HNNXBMFYSA-N 2 2 291.439 2.141 10 0 CEAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320827 180133794 /nfs/dbraw/zinc/13/37/94/180133794.db2.gz FXGPGZWXXIOYAQ-HNNXBMFYSA-N 2 2 291.439 2.141 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091273626 180118001 /nfs/dbraw/zinc/11/80/01/180118001.db2.gz MIWOIMMUMNCNIQ-LSDHHAIUSA-N 2 2 257.337 2.342 10 0 CEAELP CCN(Cc1c[nH+]cn1C(C)C)[C@H]1CCC[NH2+]C1 ZINC000091273023 180118107 /nfs/dbraw/zinc/11/81/07/180118107.db2.gz FEUXZAHHOFLZEX-ZDUSSCGKSA-N 2 2 250.390 2.038 10 0 CEAELP COc1ccc(N[C@@H](C[NH3+])c2c[nH+]cn2C2CC2)cc1 ZINC000091276626 180120399 /nfs/dbraw/zinc/12/03/99/180120399.db2.gz QCQGHKUTMDJBJN-AWEZNQCLSA-N 2 2 272.352 2.339 10 0 CEAELP C[NH2+]Cc1cc(C)c(OCc2c[nH+]cn2C)c(C)c1 ZINC000091278249 180120965 /nfs/dbraw/zinc/12/09/65/180120965.db2.gz HJAGXHYYOUSDGY-UHFFFAOYSA-N 2 2 259.353 2.335 10 0 CEAELP CC[C@H]([NH2+]CC[C@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292342 180123553 /nfs/dbraw/zinc/12/35/53/180123553.db2.gz YHLADYMMMHYWOX-QWRGUYRKSA-N 2 2 271.455 2.279 10 0 CEAELP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292057 180123624 /nfs/dbraw/zinc/12/36/24/180123624.db2.gz CEMVYCLCAGLHGE-CYBMUJFWSA-N 2 2 268.401 2.353 10 0 CEAELP C[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292057 180123626 /nfs/dbraw/zinc/12/36/26/180123626.db2.gz CEMVYCLCAGLHGE-CYBMUJFWSA-N 2 2 268.401 2.353 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CC1CC(O)C1 ZINC000091451130 180158694 /nfs/dbraw/zinc/15/86/94/180158694.db2.gz RXNSYCQNKOUTQS-DVTFPSANSA-N 2 2 266.385 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CC1CC(O)C1 ZINC000091451130 180158696 /nfs/dbraw/zinc/15/86/96/180158696.db2.gz RXNSYCQNKOUTQS-DVTFPSANSA-N 2 2 266.385 2.069 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000091405067 180147526 /nfs/dbraw/zinc/14/75/26/180147526.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000091405067 180147527 /nfs/dbraw/zinc/14/75/27/180147527.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000091405067 180147528 /nfs/dbraw/zinc/14/75/28/180147528.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000091405067 180147529 /nfs/dbraw/zinc/14/75/29/180147529.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CC(C)Cn1ncnc1C[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000091564316 180193615 /nfs/dbraw/zinc/19/36/15/180193615.db2.gz VHZCVYIXJYUOCN-AWEZNQCLSA-N 2 2 293.459 2.068 10 0 CEAELP CC(C)([C@@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCCC1 ZINC000091567663 180194909 /nfs/dbraw/zinc/19/49/09/180194909.db2.gz ZFVZONHZHDRAJS-AWEZNQCLSA-N 2 2 277.412 2.222 10 0 CEAELP CC[C@](C)(C(=O)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091601745 180203572 /nfs/dbraw/zinc/20/35/72/180203572.db2.gz WSCDHPDQPGSKNV-OAHLLOKOSA-N 2 2 261.369 2.040 10 0 CEAELP C[NH2+][C@@H](Cc1ccncc1Cl)C(C)(C)[NH+](C)C ZINC000091528635 180180318 /nfs/dbraw/zinc/18/03/18/180180318.db2.gz XTQCRRSQDALLRV-LBPRGKRZSA-N 2 2 255.793 2.206 10 0 CEAELP CC(C)([C@@H]([NH3+])c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533874 180181255 /nfs/dbraw/zinc/18/12/55/180181255.db2.gz YCMGUGFNCMWJBV-HNNXBMFYSA-N 2 2 276.380 2.332 10 0 CEAELP CCn1ncnc1C[C@@H]([NH2+]C)C(CC)(CC)[NH+](CC)CC ZINC000091633873 180210481 /nfs/dbraw/zinc/21/04/81/180210481.db2.gz HLTPCQBTKNGMOR-CQSZACIVSA-N 2 2 295.475 2.329 10 0 CEAELP CC[NH+](CC)C1([C@H](Cc2cnn(C)c2)[NH2+]C)CCCC1 ZINC000091639470 180212508 /nfs/dbraw/zinc/21/25/08/180212508.db2.gz CSXWDYVTRYGVTF-HNNXBMFYSA-N 2 2 278.444 2.205 10 0 CEAELP C[C@H]1CCC[C@](C(=O)c2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650583 180216129 /nfs/dbraw/zinc/21/61/29/180216129.db2.gz XIAMZCLSZUMHKK-NHYWBVRUSA-N 2 2 261.369 2.357 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721307 180238286 /nfs/dbraw/zinc/23/82/86/180238286.db2.gz YWDFQRNNMYKPJF-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721307 180238288 /nfs/dbraw/zinc/23/82/88/180238288.db2.gz YWDFQRNNMYKPJF-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCCCC1 ZINC000091926464 180287372 /nfs/dbraw/zinc/28/73/72/180287372.db2.gz FKJNMHBXJQWVPU-CYBMUJFWSA-N 2 2 251.374 2.407 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052217 180312982 /nfs/dbraw/zinc/31/29/82/180312982.db2.gz BMPFWYMZBGQMPI-INIZCTEOSA-N 2 2 276.424 2.275 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052217 180312984 /nfs/dbraw/zinc/31/29/84/180312984.db2.gz BMPFWYMZBGQMPI-INIZCTEOSA-N 2 2 276.424 2.275 10 0 CEAELP C[N@H+](CC[NH2+]C[C@H]1Cc2ccccc2S1)C1CC1 ZINC000092244144 180352232 /nfs/dbraw/zinc/35/22/32/180352232.db2.gz ZLILTOUZARYOQA-CQSZACIVSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](CC[NH2+]C[C@H]1Cc2ccccc2S1)C1CC1 ZINC000092244144 180352234 /nfs/dbraw/zinc/35/22/34/180352234.db2.gz ZLILTOUZARYOQA-CQSZACIVSA-N 2 2 262.422 2.387 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@H]1COc2ccccc21 ZINC000092302568 180359471 /nfs/dbraw/zinc/35/94/71/180359471.db2.gz GKMCLSWCEMVSFT-AWEZNQCLSA-N 2 2 262.397 2.483 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@H]1COc2ccccc21 ZINC000092302568 180359472 /nfs/dbraw/zinc/35/94/72/180359472.db2.gz GKMCLSWCEMVSFT-AWEZNQCLSA-N 2 2 262.397 2.483 10 0 CEAELP CCOC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922631 186090538 /nfs/dbraw/zinc/09/05/38/186090538.db2.gz OQIGOSYRNIXKIB-CYBMUJFWSA-N 2 2 279.384 2.036 10 0 CEAELP CCOC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922631 186090539 /nfs/dbraw/zinc/09/05/39/186090539.db2.gz OQIGOSYRNIXKIB-CYBMUJFWSA-N 2 2 279.384 2.036 10 0 CEAELP CCc1nc(C[NH+](C)C)nc(CC)c1CC[NH2+]CC(C)C ZINC000092318961 180361772 /nfs/dbraw/zinc/36/17/72/180361772.db2.gz VUHFYADYSCOFAG-UHFFFAOYSA-N 2 2 292.471 2.451 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342891 180366403 /nfs/dbraw/zinc/36/64/03/180366403.db2.gz LMPPVXPZSUYHIL-CQSZACIVSA-N 2 2 251.374 2.255 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342891 180366405 /nfs/dbraw/zinc/36/64/05/180366405.db2.gz LMPPVXPZSUYHIL-CQSZACIVSA-N 2 2 251.374 2.255 10 0 CEAELP CCNc1cccc(CN2CC[NH+]([C@@H](C)CC)CC2)[nH+]1 ZINC000092370241 180369892 /nfs/dbraw/zinc/36/98/92/180369892.db2.gz PWCDJVIGWDJWCP-AWEZNQCLSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1cccc(CN2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000092368445 180370180 /nfs/dbraw/zinc/37/01/80/180370180.db2.gz ORLBNTOVVPQOMW-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP C[NH2+][C@H]1c2cc(OC)ccc2CC[C@@H]1n1cc[nH+]c1 ZINC000092386051 180374004 /nfs/dbraw/zinc/37/40/04/180374004.db2.gz DOYRGZFOGRQMOV-GJZGRUSLSA-N 2 2 257.337 2.340 10 0 CEAELP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554384 186262493 /nfs/dbraw/zinc/26/24/93/186262493.db2.gz PRAPIVDDJUXFOL-GXTWGEPZSA-N 2 2 278.396 2.276 10 0 CEAELP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554384 186262495 /nfs/dbraw/zinc/26/24/95/186262495.db2.gz PRAPIVDDJUXFOL-GXTWGEPZSA-N 2 2 278.396 2.276 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110938393 186334529 /nfs/dbraw/zinc/33/45/29/186334529.db2.gz XQVJNQFAGMGNGI-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110938393 186334531 /nfs/dbraw/zinc/33/45/31/186334531.db2.gz XQVJNQFAGMGNGI-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CC[N@H+](CCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944269 186335934 /nfs/dbraw/zinc/33/59/34/186335934.db2.gz UBRGTLGZIKGNCB-AWEZNQCLSA-N 2 2 266.360 2.278 10 0 CEAELP CC[N@@H+](CCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110944269 186335936 /nfs/dbraw/zinc/33/59/36/186335936.db2.gz UBRGTLGZIKGNCB-AWEZNQCLSA-N 2 2 266.360 2.278 10 0 CEAELP CCN1CC[N@H+](Cc2c3ccccc3oc2C[NH3+])C[C@@H]1C ZINC000110752384 186320110 /nfs/dbraw/zinc/32/01/10/186320110.db2.gz XBAREPYUCSJWBQ-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP CCN1CC[N@@H+](Cc2c3ccccc3oc2C[NH3+])C[C@@H]1C ZINC000110752384 186320111 /nfs/dbraw/zinc/32/01/11/186320111.db2.gz XBAREPYUCSJWBQ-ZDUSSCGKSA-N 2 2 287.407 2.418 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)CC1CCOCC1 ZINC000111156467 186362145 /nfs/dbraw/zinc/36/21/45/186362145.db2.gz OSJBLKZSPIDPPF-FZMZJTMJSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)CC1CCOCC1 ZINC000111156467 186362147 /nfs/dbraw/zinc/36/21/47/186362147.db2.gz OSJBLKZSPIDPPF-FZMZJTMJSA-N 2 2 268.426 2.495 10 0 CEAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111159998 186362312 /nfs/dbraw/zinc/36/23/12/186362312.db2.gz IOLSUZJGISRIEF-AWEZNQCLSA-N 2 2 266.385 2.200 10 0 CEAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111159998 186362313 /nfs/dbraw/zinc/36/23/13/186362313.db2.gz IOLSUZJGISRIEF-AWEZNQCLSA-N 2 2 266.385 2.200 10 0 CEAELP CCOc1cccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111157588 186362803 /nfs/dbraw/zinc/36/28/03/186362803.db2.gz ZQZRALGLAOZOMX-YOEHRIQHSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111157588 186362805 /nfs/dbraw/zinc/36/28/05/186362805.db2.gz ZQZRALGLAOZOMX-YOEHRIQHSA-N 2 2 292.423 2.444 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1F ZINC000111159769 186363171 /nfs/dbraw/zinc/36/31/71/186363171.db2.gz DYDSWSAHFXDFTI-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1F ZINC000111159769 186363173 /nfs/dbraw/zinc/36/31/73/186363173.db2.gz DYDSWSAHFXDFTI-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP CC[NH2+][C@@H](CC[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000111148104 186358298 /nfs/dbraw/zinc/35/82/98/186358298.db2.gz VWILVIBYWCBAJH-AWEZNQCLSA-N 3 2 257.466 2.284 10 0 CEAELP CC[NH2+][C@@H](CC[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000111148104 186358300 /nfs/dbraw/zinc/35/83/00/186358300.db2.gz VWILVIBYWCBAJH-AWEZNQCLSA-N 3 2 257.466 2.284 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147989 186358478 /nfs/dbraw/zinc/35/84/78/186358478.db2.gz OKTJMRASZABNCO-CABCVRRESA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147989 186358479 /nfs/dbraw/zinc/35/84/79/186358479.db2.gz OKTJMRASZABNCO-CABCVRRESA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147747 186359188 /nfs/dbraw/zinc/35/91/88/186359188.db2.gz BUHBGRQQPLTAOM-GJZGRUSLSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147747 186359190 /nfs/dbraw/zinc/35/91/90/186359190.db2.gz BUHBGRQQPLTAOM-GJZGRUSLSA-N 3 2 255.450 2.038 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111161613 186363817 /nfs/dbraw/zinc/36/38/17/186363817.db2.gz ADHFUVFLTPZFRI-LSDHHAIUSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111161613 186363818 /nfs/dbraw/zinc/36/38/18/186363818.db2.gz ADHFUVFLTPZFRI-LSDHHAIUSA-N 2 2 254.418 2.395 10 0 CEAELP CC(C)C[NH2+]C[C@@]1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCCOC1 ZINC000111323820 186397192 /nfs/dbraw/zinc/39/71/92/186397192.db2.gz OSWOBOOGRZOTLM-YESZJQIVSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325799 186399241 /nfs/dbraw/zinc/39/92/41/186399241.db2.gz ODUVDGQVQHXNGC-QGZVFWFLSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325799 186399242 /nfs/dbraw/zinc/39/92/42/186399242.db2.gz ODUVDGQVQHXNGC-QGZVFWFLSA-N 2 2 298.471 2.282 10 0 CEAELP CCc1cc(N2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451617 363083769 /nfs/dbraw/zinc/08/37/69/363083769.db2.gz ALFAFUPGZSKFLS-UHFFFAOYSA-N 2 2 286.354 2.255 10 0 CEAELP C[NH2+]C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000079047852 363569793 /nfs/dbraw/zinc/56/97/93/363569793.db2.gz DWDFNSFGZFUMJZ-LBPRGKRZSA-N 2 2 258.369 2.009 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151243175 366633346 /nfs/dbraw/zinc/63/33/46/366633346.db2.gz WFIAFMLUDSQVPS-ZIAGYGMSSA-N 2 2 280.387 2.323 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000178306385 189104536 /nfs/dbraw/zinc/10/45/36/189104536.db2.gz WAXXUJDUIQRMSU-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000178306385 189104537 /nfs/dbraw/zinc/10/45/37/189104537.db2.gz WAXXUJDUIQRMSU-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178314844 189106016 /nfs/dbraw/zinc/10/60/16/189106016.db2.gz DAVFDUBQYXUOLA-AWEZNQCLSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178314844 189106017 /nfs/dbraw/zinc/10/60/17/189106017.db2.gz DAVFDUBQYXUOLA-AWEZNQCLSA-N 2 2 260.341 2.153 10 0 CEAELP c1cn2c(cccc2CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000179892874 189226717 /nfs/dbraw/zinc/22/67/17/189226717.db2.gz QXSKWUJPNJYWET-CQSZACIVSA-N 2 2 270.380 2.004 10 0 CEAELP c1cn2c(cccc2CN2CC[N@H+]3CCCC[C@@H]3C2)[nH+]1 ZINC000179892874 189226718 /nfs/dbraw/zinc/22/67/18/189226718.db2.gz QXSKWUJPNJYWET-CQSZACIVSA-N 2 2 270.380 2.004 10 0 CEAELP Cn1cc([C@@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cn1 ZINC000301898707 201252220 /nfs/dbraw/zinc/25/22/20/201252220.db2.gz XCFLXIGNDGRHQK-CQSZACIVSA-N 2 2 284.367 2.011 10 0 CEAELP Brc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000095092428 364339006 /nfs/dbraw/zinc/33/90/06/364339006.db2.gz SGDXBXRCLJVSPG-LLVKDONJSA-N 2 2 284.201 2.076 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728617 364756051 /nfs/dbraw/zinc/75/60/51/364756051.db2.gz IIPLMZAAUUWBSA-AWEZNQCLSA-N 2 2 255.365 2.419 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728617 364756054 /nfs/dbraw/zinc/75/60/54/364756054.db2.gz IIPLMZAAUUWBSA-AWEZNQCLSA-N 2 2 255.365 2.419 10 0 CEAELP Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000116261985 365046002 /nfs/dbraw/zinc/04/60/02/365046002.db2.gz FOZQGMSKISBTDL-JSGCOSHPSA-N 2 2 272.396 2.335 10 0 CEAELP Cc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000116261985 365046008 /nfs/dbraw/zinc/04/60/08/365046008.db2.gz FOZQGMSKISBTDL-JSGCOSHPSA-N 2 2 272.396 2.335 10 0 CEAELP Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000120217098 365391107 /nfs/dbraw/zinc/39/11/07/365391107.db2.gz LEBZVWGDEZKOBP-SMDDNHRTSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000120217098 365391113 /nfs/dbraw/zinc/39/11/13/365391113.db2.gz LEBZVWGDEZKOBP-SMDDNHRTSA-N 2 2 276.384 2.240 10 0 CEAELP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636689 370853219 /nfs/dbraw/zinc/85/32/19/370853219.db2.gz XDXPYPGKKUCXHD-ILXRZTDVSA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636689 370853225 /nfs/dbraw/zinc/85/32/25/370853225.db2.gz XDXPYPGKKUCXHD-ILXRZTDVSA-N 2 2 254.418 2.075 10 0 CEAELP O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000246015802 370900170 /nfs/dbraw/zinc/90/01/70/370900170.db2.gz ZKYZMRYLRXYKMW-YOEHRIQHSA-N 2 2 285.391 2.461 10 0 CEAELP O[C@]12CCCC[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000246015802 370900172 /nfs/dbraw/zinc/90/01/72/370900172.db2.gz ZKYZMRYLRXYKMW-YOEHRIQHSA-N 2 2 285.391 2.461 10 0 CEAELP CCC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000190242454 369607515 /nfs/dbraw/zinc/60/75/15/369607515.db2.gz QCPVHPNJHYAJHN-CYBMUJFWSA-N 2 2 261.369 2.185 10 0 CEAELP CCC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000190242454 369607519 /nfs/dbraw/zinc/60/75/19/369607519.db2.gz QCPVHPNJHYAJHN-CYBMUJFWSA-N 2 2 261.369 2.185 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccncc2)C1 ZINC000190477172 369628457 /nfs/dbraw/zinc/62/84/57/369628457.db2.gz QIEZQOQWKWVLPJ-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccncc2)C1 ZINC000190477172 369628465 /nfs/dbraw/zinc/62/84/65/369628465.db2.gz QIEZQOQWKWVLPJ-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000190477172 369628472 /nfs/dbraw/zinc/62/84/72/369628472.db2.gz QIEZQOQWKWVLPJ-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000190477172 369628476 /nfs/dbraw/zinc/62/84/76/369628476.db2.gz QIEZQOQWKWVLPJ-GOSISDBHSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231671047 370487756 /nfs/dbraw/zinc/48/77/56/370487756.db2.gz NCYQQZSUZLGNGV-CQSZACIVSA-N 2 2 286.379 2.311 10 0 CEAELP C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231671047 370487758 /nfs/dbraw/zinc/48/77/58/370487758.db2.gz NCYQQZSUZLGNGV-CQSZACIVSA-N 2 2 286.379 2.311 10 0 CEAELP C[C@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235636873 370570897 /nfs/dbraw/zinc/57/08/97/370570897.db2.gz KWOALOZTKIKJDO-GWCFXTLKSA-N 2 2 299.212 2.107 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235636873 370570900 /nfs/dbraw/zinc/57/09/00/370570900.db2.gz KWOALOZTKIKJDO-GWCFXTLKSA-N 2 2 299.212 2.107 10 0 CEAELP Cc1cccc([C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1C ZINC000261600411 371670914 /nfs/dbraw/zinc/67/09/14/371670914.db2.gz AEAJFKNOHAMGGN-CQSZACIVSA-N 2 2 286.379 2.482 10 0 CEAELP Cc1cccc([C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1C ZINC000261600411 371670923 /nfs/dbraw/zinc/67/09/23/371670923.db2.gz AEAJFKNOHAMGGN-CQSZACIVSA-N 2 2 286.379 2.482 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261568203 371652130 /nfs/dbraw/zinc/65/21/30/371652130.db2.gz IZWJGLDQUHKSEN-UHTWSYAYSA-N 2 2 265.426 2.265 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261568203 371652138 /nfs/dbraw/zinc/65/21/38/371652138.db2.gz IZWJGLDQUHKSEN-UHTWSYAYSA-N 2 2 265.426 2.265 10 0 CEAELP Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261780872 371730185 /nfs/dbraw/zinc/73/01/85/371730185.db2.gz PKVUNKOTAVOBKE-AWEZNQCLSA-N 2 2 286.379 2.044 10 0 CEAELP Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261780872 371730193 /nfs/dbraw/zinc/73/01/93/371730193.db2.gz PKVUNKOTAVOBKE-AWEZNQCLSA-N 2 2 286.379 2.044 10 0 CEAELP [NH3+]C[C@@H]1C[N@H+](Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC000261645271 371689915 /nfs/dbraw/zinc/68/99/15/371689915.db2.gz FVRSWHAHTIEAOM-CABCVRRESA-N 2 2 298.390 2.121 10 0 CEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC000261645271 371689925 /nfs/dbraw/zinc/68/99/25/371689925.db2.gz FVRSWHAHTIEAOM-CABCVRRESA-N 2 2 298.390 2.121 10 0 CEAELP C[N@H+](CCc1cccc2ccccc21)Cc1noc(C[NH3+])n1 ZINC000262280017 371846098 /nfs/dbraw/zinc/84/60/98/371846098.db2.gz UJLRCRSWUZLGSV-UHFFFAOYSA-N 2 2 296.374 2.356 10 0 CEAELP C[N@@H+](CCc1cccc2ccccc21)Cc1noc(C[NH3+])n1 ZINC000262280017 371846105 /nfs/dbraw/zinc/84/61/05/371846105.db2.gz UJLRCRSWUZLGSV-UHFFFAOYSA-N 2 2 296.374 2.356 10 0 CEAELP C[C@H](C1CC1)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262223861 371839204 /nfs/dbraw/zinc/83/92/04/371839204.db2.gz USXYORULAHVDNL-GFCCVEGCSA-N 2 2 286.379 2.329 10 0 CEAELP C[C@H](C1CC1)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262223861 371839209 /nfs/dbraw/zinc/83/92/09/371839209.db2.gz USXYORULAHVDNL-GFCCVEGCSA-N 2 2 286.379 2.329 10 0 CEAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000262631343 371888821 /nfs/dbraw/zinc/88/88/21/371888821.db2.gz FECYGEVZDLMDOH-GXFFZTMASA-N 2 2 272.352 2.389 10 0 CEAELP CC(C)n1cc[nH+]c1CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641810204 372758386 /nfs/dbraw/zinc/75/83/86/372758386.db2.gz UTSQDCPPBXIPGU-RDBSUJKOSA-N 2 2 264.417 2.412 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475872 375304428 /nfs/dbraw/zinc/30/44/28/375304428.db2.gz WFDFJXPMEJGAID-DZGCQCFKSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475872 375304436 /nfs/dbraw/zinc/30/44/36/375304436.db2.gz WFDFJXPMEJGAID-DZGCQCFKSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517882 375306383 /nfs/dbraw/zinc/30/63/83/375306383.db2.gz GKCZUQJLIQSKPJ-GFCCVEGCSA-N 2 2 296.798 2.295 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517882 375306387 /nfs/dbraw/zinc/30/63/87/375306387.db2.gz GKCZUQJLIQSKPJ-GFCCVEGCSA-N 2 2 296.798 2.295 10 0 CEAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226521 171091569 /nfs/dbraw/zinc/09/15/69/171091569.db2.gz BHHDEXRDIIMZSM-LLVKDONJSA-N 2 2 257.175 2.401 10 0 CEAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226521 171091570 /nfs/dbraw/zinc/09/15/70/171091570.db2.gz BHHDEXRDIIMZSM-LLVKDONJSA-N 2 2 257.175 2.401 10 0 CEAELP Cc1cc(C)cc([C@@H]([NH3+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000093925420 184743627 /nfs/dbraw/zinc/74/36/27/184743627.db2.gz XDLWBZWOAWHQGO-HZPDHXFCSA-N 2 2 262.397 2.412 10 0 CEAELP Cc1cc(C)cc([C@@H]([NH3+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000093925420 184743628 /nfs/dbraw/zinc/74/36/28/184743628.db2.gz XDLWBZWOAWHQGO-HZPDHXFCSA-N 2 2 262.397 2.412 10 0 CEAELP CC[NH2+]C[C@@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000088760874 135057256 /nfs/dbraw/zinc/05/72/56/135057256.db2.gz JNJDHNAKQGEKJT-AWEZNQCLSA-N 2 2 262.401 2.316 10 0 CEAELP C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248962627 394549683 /nfs/dbraw/zinc/54/96/83/394549683.db2.gz BJWJADPSJNLSDW-ILXRZTDVSA-N 2 2 275.396 2.383 10 0 CEAELP C[C@@H]1CC[C@@H](C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)O1 ZINC000248962627 394549686 /nfs/dbraw/zinc/54/96/86/394549686.db2.gz BJWJADPSJNLSDW-ILXRZTDVSA-N 2 2 275.396 2.383 10 0 CEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cn1 ZINC000414129889 394711498 /nfs/dbraw/zinc/71/14/98/394711498.db2.gz WAYWPXGLHSTPKQ-SNVBAGLBSA-N 2 2 264.760 2.362 10 0 CEAELP CCCNC(=O)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020361945 171160616 /nfs/dbraw/zinc/16/06/16/171160616.db2.gz SLLNXZFFJBKBTO-OAHLLOKOSA-N 2 2 291.439 2.013 10 0 CEAELP CCCNC(=O)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020361945 171160619 /nfs/dbraw/zinc/16/06/19/171160619.db2.gz SLLNXZFFJBKBTO-OAHLLOKOSA-N 2 2 291.439 2.013 10 0 CEAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)s1 ZINC000035382278 172164849 /nfs/dbraw/zinc/16/48/49/172164849.db2.gz ZZSWEVDBCBXFRX-ZCFIWIBFSA-N 2 2 272.171 2.476 10 0 CEAELP CSCc1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037256268 173066839 /nfs/dbraw/zinc/06/68/39/173066839.db2.gz WSRKRPFPZWLIRB-UHFFFAOYSA-N 2 2 254.399 2.326 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502708 174299055 /nfs/dbraw/zinc/29/90/55/174299055.db2.gz ICTBPLOEAAUAMT-IUODEOHRSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000040502708 174299057 /nfs/dbraw/zinc/29/90/57/174299057.db2.gz ICTBPLOEAAUAMT-IUODEOHRSA-N 2 2 260.381 2.453 10 0 CEAELP C[N@H+](Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747121 174392903 /nfs/dbraw/zinc/39/29/03/174392903.db2.gz JTAQTCLOMRRNDV-NNQSOWQGSA-N 2 2 270.380 2.049 10 0 CEAELP C[N@@H+](Cc1cn2ccccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747121 174392905 /nfs/dbraw/zinc/39/29/05/174392905.db2.gz JTAQTCLOMRRNDV-NNQSOWQGSA-N 2 2 270.380 2.049 10 0 CEAELP COc1ccc[nH+]c1N1CCC([NH2+]CC2CC2)CC1 ZINC000128489831 414808687 /nfs/dbraw/zinc/80/86/87/414808687.db2.gz UHFKGFISVDJMJD-UHFFFAOYSA-N 2 2 261.369 2.059 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@@H](C)COCc2ccccc2)n1C ZINC000657378876 414898988 /nfs/dbraw/zinc/89/89/88/414898988.db2.gz NKDVZDPDBLQHTK-ZDUSSCGKSA-N 2 2 273.380 2.423 10 0 CEAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043324708 175006754 /nfs/dbraw/zinc/00/67/54/175006754.db2.gz DYPDXHAHHHWMMZ-QGZVFWFLSA-N 3 2 275.440 2.370 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334606 175010484 /nfs/dbraw/zinc/01/04/84/175010484.db2.gz HQDSWRCYBVMNSU-IUODEOHRSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334606 175010485 /nfs/dbraw/zinc/01/04/85/175010485.db2.gz HQDSWRCYBVMNSU-IUODEOHRSA-N 2 2 259.353 2.237 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043334495 175010565 /nfs/dbraw/zinc/01/05/65/175010565.db2.gz GPIGYUFCTOYIMO-VNHYZAJKSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+]1CCCC[C@@H]1CCO ZINC000043334495 175010566 /nfs/dbraw/zinc/01/05/66/175010566.db2.gz GPIGYUFCTOYIMO-VNHYZAJKSA-N 2 2 266.385 2.295 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@@H](C[NH3+])c1ccccn1 ZINC000043341346 175015296 /nfs/dbraw/zinc/01/52/96/175015296.db2.gz HNLWHFKRBPNWHQ-HNNXBMFYSA-N 2 2 252.321 2.288 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043347566 175017882 /nfs/dbraw/zinc/01/78/82/175017882.db2.gz AZGSIRXMPYTSDP-HRCADAONSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043347566 175017884 /nfs/dbraw/zinc/01/78/84/175017884.db2.gz AZGSIRXMPYTSDP-HRCADAONSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCCSCC1 ZINC000043347396 175018214 /nfs/dbraw/zinc/01/82/14/175018214.db2.gz JNUUBRYZJLURAG-KBPBESRZSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCCSCC1 ZINC000043347396 175018216 /nfs/dbraw/zinc/01/82/16/175018216.db2.gz JNUUBRYZJLURAG-KBPBESRZSA-N 2 2 265.426 2.299 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966036 175127013 /nfs/dbraw/zinc/12/70/13/175127013.db2.gz FTZVJIFIQSVXSN-QPSCCSFWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966036 175127014 /nfs/dbraw/zinc/12/70/14/175127014.db2.gz FTZVJIFIQSVXSN-QPSCCSFWSA-N 2 2 254.418 2.264 10 0 CEAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000044746859 175242420 /nfs/dbraw/zinc/24/24/20/175242420.db2.gz YJBWPCPHWZELER-MRXNPFEDSA-N 2 2 260.381 2.455 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373563 175364747 /nfs/dbraw/zinc/36/47/47/175364747.db2.gz BIWITBMUYNDGOX-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373563 175364748 /nfs/dbraw/zinc/36/47/48/175364748.db2.gz BIWITBMUYNDGOX-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP C[NH2+][C@@](C)(CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)OC ZINC000045373316 175365075 /nfs/dbraw/zinc/36/50/75/175365075.db2.gz UYNCAPTZYBQCLD-FMKPAKJESA-N 2 2 284.444 2.286 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCC1)C(=O)OCC ZINC000045375392 175366471 /nfs/dbraw/zinc/36/64/71/175366471.db2.gz VQBWFDPEAXUMGW-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1OCCc2ccccc21 ZINC000071099246 176033219 /nfs/dbraw/zinc/03/32/19/176033219.db2.gz NZCCPYRFEIPDRD-GOEBONIOSA-N 2 2 285.391 2.477 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCOCC2)C1 ZINC000071123462 176034827 /nfs/dbraw/zinc/03/48/27/176034827.db2.gz KQESDUJWPBDAPT-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCOCC2)C1 ZINC000071123462 176034828 /nfs/dbraw/zinc/03/48/28/176034828.db2.gz KQESDUJWPBDAPT-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C ZINC000071191944 176071884 /nfs/dbraw/zinc/07/18/84/176071884.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)oc1C ZINC000071191944 176071885 /nfs/dbraw/zinc/07/18/85/176071885.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191944 176071887 /nfs/dbraw/zinc/07/18/87/176071887.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000071191944 176071889 /nfs/dbraw/zinc/07/18/89/176071889.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191834 176072695 /nfs/dbraw/zinc/07/26/95/176072695.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191834 176072697 /nfs/dbraw/zinc/07/26/97/176072697.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191834 176072699 /nfs/dbraw/zinc/07/26/99/176072699.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191834 176072700 /nfs/dbraw/zinc/07/27/00/176072700.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CCC[NH2+][C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199361 176077112 /nfs/dbraw/zinc/07/71/12/176077112.db2.gz OGQLXUACDDKHJK-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[NH2+][C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199361 176077113 /nfs/dbraw/zinc/07/71/13/176077113.db2.gz OGQLXUACDDKHJK-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@H+](CCOC2CCCC2)C1 ZINC000071199905 176077163 /nfs/dbraw/zinc/07/71/63/176077163.db2.gz LUJUVDLJGKVCTL-CQSZACIVSA-N 2 2 254.418 2.408 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCOC2CCCC2)C1 ZINC000071199905 176077164 /nfs/dbraw/zinc/07/71/64/176077164.db2.gz LUJUVDLJGKVCTL-CQSZACIVSA-N 2 2 254.418 2.408 10 0 CEAELP COCCN(CCC(N)=[NH2+])c1[nH+]c2ccccc2cc1C ZINC000071229255 176091367 /nfs/dbraw/zinc/09/13/67/176091367.db2.gz QUXQFLXJVCRCFN-UHFFFAOYSA-N 2 2 286.379 2.322 10 0 CEAELP [NH2+]=C1c2cc(F)ccc2CN1CCCn1cc[nH+]c1 ZINC000071268698 176102292 /nfs/dbraw/zinc/10/22/92/176102292.db2.gz OVANSXVLAKDBNI-UHFFFAOYSA-N 2 2 258.300 2.253 10 0 CEAELP COc1ccc(C(C)C)cc1C[C@@H]([NH3+])C[NH+](C)C ZINC000071572683 176199027 /nfs/dbraw/zinc/19/90/27/176199027.db2.gz TWYFHRVVDOURMH-CQSZACIVSA-N 2 2 250.386 2.250 10 0 CEAELP CCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H](OC)C1 ZINC000078603342 177359057 /nfs/dbraw/zinc/35/90/57/177359057.db2.gz HBESUTUQEXAEKT-KFWWJZLASA-N 2 2 254.418 2.408 10 0 CEAELP CCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[C@H](OC)C1 ZINC000078603342 177359060 /nfs/dbraw/zinc/35/90/60/177359060.db2.gz HBESUTUQEXAEKT-KFWWJZLASA-N 2 2 254.418 2.408 10 0 CEAELP c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000022867140 275067383 /nfs/dbraw/zinc/06/73/83/275067383.db2.gz SQEFOVHLFDGELY-KRWDZBQOSA-N 2 2 252.361 2.491 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810702 279322755 /nfs/dbraw/zinc/32/27/55/279322755.db2.gz IYZJAMURRGKJBI-WOPDTQHZSA-N 2 2 280.334 2.170 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810702 279322758 /nfs/dbraw/zinc/32/27/58/279322758.db2.gz IYZJAMURRGKJBI-WOPDTQHZSA-N 2 2 280.334 2.170 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382349 519748105 /nfs/dbraw/zinc/74/81/05/519748105.db2.gz XQGCWCHYAGFTOA-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382349 519748106 /nfs/dbraw/zinc/74/81/06/519748106.db2.gz XQGCWCHYAGFTOA-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CCC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1C)C(=O)OCC ZINC000068648831 520116353 /nfs/dbraw/zinc/11/63/53/520116353.db2.gz JTHXQPOYCJFWSE-SWLSCSKDSA-N 2 2 281.400 2.464 10 0 CEAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000400334687 534077871 /nfs/dbraw/zinc/07/78/71/534077871.db2.gz DXVLZHFQQCDVDS-IHRRRGAJSA-N 2 2 299.459 2.172 10 0 CEAELP CCC[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1sccc1C ZINC000070288253 519861208 /nfs/dbraw/zinc/86/12/08/519861208.db2.gz RSIJIQOWGQGJOY-NWDGAFQWSA-N 2 2 254.399 2.167 10 0 CEAELP CCC[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1sccc1C ZINC000070288253 519861211 /nfs/dbraw/zinc/86/12/11/519861211.db2.gz RSIJIQOWGQGJOY-NWDGAFQWSA-N 2 2 254.399 2.167 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)Cn1cccn1 ZINC000054602921 519910217 /nfs/dbraw/zinc/91/02/17/519910217.db2.gz NBJFQNSTUQBGSX-HNSVSWJLSA-N 2 2 276.428 2.267 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)Cn1cccn1 ZINC000054602921 519910220 /nfs/dbraw/zinc/91/02/20/519910220.db2.gz NBJFQNSTUQBGSX-HNSVSWJLSA-N 2 2 276.428 2.267 10 0 CEAELP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2csc(C)n2)O1 ZINC000052505953 519977566 /nfs/dbraw/zinc/97/75/66/519977566.db2.gz DXOKFDFBHQAHKG-KGLIPLIRSA-N 2 2 283.441 2.040 10 0 CEAELP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2csc(C)n2)O1 ZINC000052505953 519977574 /nfs/dbraw/zinc/97/75/74/519977574.db2.gz DXOKFDFBHQAHKG-KGLIPLIRSA-N 2 2 283.441 2.040 10 0 CEAELP CCC[NH2+][C@@H](C[N@H+](C)CCc1ccccn1)C1CC1 ZINC000069073779 520008131 /nfs/dbraw/zinc/00/81/31/520008131.db2.gz WRUVTMAQYXQFKB-INIZCTEOSA-N 2 2 261.413 2.334 10 0 CEAELP CCC[NH2+][C@@H](C[N@@H+](C)CCc1ccccn1)C1CC1 ZINC000069073779 520008140 /nfs/dbraw/zinc/00/81/40/520008140.db2.gz WRUVTMAQYXQFKB-INIZCTEOSA-N 2 2 261.413 2.334 10 0 CEAELP CCC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1CC)C(=O)OC ZINC000068649432 520117087 /nfs/dbraw/zinc/11/70/87/520117087.db2.gz WFVKKOPPORCDAP-SWLSCSKDSA-N 2 2 281.400 2.328 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502636 521138153 /nfs/dbraw/zinc/13/81/53/521138153.db2.gz JCMFORAMAABNJF-HNNXBMFYSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502636 521138161 /nfs/dbraw/zinc/13/81/61/521138161.db2.gz JCMFORAMAABNJF-HNNXBMFYSA-N 2 2 273.380 2.203 10 0 CEAELP CCOC(=O)[C@]([NH3+])(Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000069191804 521348060 /nfs/dbraw/zinc/34/80/60/521348060.db2.gz UWDCNGWLVQJQJE-INIZCTEOSA-N 2 2 287.363 2.015 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546394 522595380 /nfs/dbraw/zinc/59/53/80/522595380.db2.gz CFTCNJXFWBZDTP-FZMZJTMJSA-N 2 2 254.349 2.101 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546394 522595391 /nfs/dbraw/zinc/59/53/91/522595391.db2.gz CFTCNJXFWBZDTP-FZMZJTMJSA-N 2 2 254.349 2.101 10 0 CEAELP COC(=O)[C@@H](CCn1c(C)[nH+]c2ccccc21)[NH2+]C(C)C ZINC000062534792 523575450 /nfs/dbraw/zinc/57/54/50/523575450.db2.gz UNDJRGBQXNMOMP-CQSZACIVSA-N 2 2 289.379 2.274 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1ccc2ncccc2c1)C1CCOCC1 ZINC000069502528 523624589 /nfs/dbraw/zinc/62/45/89/523624589.db2.gz SJSCZSJGZIDTNU-KRWDZBQOSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1ccc2ncccc2c1)C1CCOCC1 ZINC000069502528 523624598 /nfs/dbraw/zinc/62/45/98/523624598.db2.gz SJSCZSJGZIDTNU-KRWDZBQOSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000049554361 524170704 /nfs/dbraw/zinc/17/07/04/524170704.db2.gz YPKAHHRCKSKPET-OCCSQVGLSA-N 2 2 275.396 2.024 10 0 CEAELP C[C@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049510206 524360818 /nfs/dbraw/zinc/36/08/18/524360818.db2.gz CABDVZMPNNBUNK-SNVBAGLBSA-N 2 2 294.786 2.165 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2nccs2)CC1 ZINC000052417647 524476713 /nfs/dbraw/zinc/47/67/13/524476713.db2.gz ZZTNXIVFOOYZPA-CYBMUJFWSA-N 2 2 296.484 2.289 10 0 CEAELP C[C@@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417353 524498661 /nfs/dbraw/zinc/49/86/61/524498661.db2.gz UTRREPGEJGRCFL-HNNXBMFYSA-N 2 2 273.424 2.339 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258496 525381053 /nfs/dbraw/zinc/38/10/53/525381053.db2.gz ZTXDSNKSWCXJCD-GXTWGEPZSA-N 2 2 298.377 2.462 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CCN1CCn2cc[nH+]c2C1 ZINC000062322296 525424551 /nfs/dbraw/zinc/42/45/51/525424551.db2.gz MEYIFISQPNXTAT-OAHLLOKOSA-N 2 2 270.380 2.097 10 0 CEAELP Cc1cc[nH+]c(NC[C@@H](C)C[NH3+])c1Br ZINC000235099236 525694255 /nfs/dbraw/zinc/69/42/55/525694255.db2.gz UPZSELSCMZYOPS-ZETCQYMHSA-N 2 2 258.163 2.159 10 0 CEAELP c1coc(-c2noc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000054445306 526564206 /nfs/dbraw/zinc/56/42/06/526564206.db2.gz FFQAYLBMMSSHAW-GFCCVEGCSA-N 2 2 288.351 2.219 10 0 CEAELP c1coc(-c2noc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000054445306 526564210 /nfs/dbraw/zinc/56/42/10/526564210.db2.gz FFQAYLBMMSSHAW-GFCCVEGCSA-N 2 2 288.351 2.219 10 0 CEAELP Cc1[nH]c(CN[C@@H](C[NH+](C)C)c2ccccc2)c[nH+]1 ZINC000054798382 526892033 /nfs/dbraw/zinc/89/20/33/526892033.db2.gz SFADNNGFRPVGTC-HNNXBMFYSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1[nH]cc(CN[C@@H](C[NH+](C)C)c2ccccc2)[nH+]1 ZINC000054798382 526892036 /nfs/dbraw/zinc/89/20/36/526892036.db2.gz SFADNNGFRPVGTC-HNNXBMFYSA-N 2 2 258.369 2.111 10 0 CEAELP Nc1ccc2c(c1)[nH+]c(C1CC1)n2CCn1cc[nH+]c1 ZINC000052855547 527508177 /nfs/dbraw/zinc/50/81/77/527508177.db2.gz CASMTAGSCOWIDZ-UHFFFAOYSA-N 2 2 267.336 2.393 10 0 CEAELP FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054764943 527671681 /nfs/dbraw/zinc/67/16/81/527671681.db2.gz AFBXCLDYERVFBH-MWLCHTKSSA-N 2 2 277.290 2.389 10 0 CEAELP CCOC(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)OCC ZINC000093447518 535738731 /nfs/dbraw/zinc/73/87/31/535738731.db2.gz KCJHHBOVSQZWOG-UHFFFAOYSA-N 2 2 293.411 2.039 10 0 CEAELP CCN(CC)c1ccc(N[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000129017044 651729084 /nfs/dbraw/zinc/72/90/84/651729084.db2.gz XNAHFVFWXATXKG-CYBMUJFWSA-N 2 2 262.401 2.482 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129106779 651805840 /nfs/dbraw/zinc/80/58/40/651805840.db2.gz AIYKVXQDVPTBRQ-KGLIPLIRSA-N 3 2 264.417 2.030 10 0 CEAELP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000567640453 299070715 /nfs/dbraw/zinc/07/07/15/299070715.db2.gz JPJSXWWJKGTOEG-WBVHZDCISA-N 2 2 298.434 2.409 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000247363702 282128166 /nfs/dbraw/zinc/12/81/66/282128166.db2.gz MSWFIYXIJHHBSX-WBVHZDCISA-N 2 2 274.408 2.326 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000247363702 282128169 /nfs/dbraw/zinc/12/81/69/282128169.db2.gz MSWFIYXIJHHBSX-WBVHZDCISA-N 2 2 274.408 2.326 10 0 CEAELP CC(C)(C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000038935630 361986780 /nfs/dbraw/zinc/98/67/80/361986780.db2.gz TXOCCQDFSKCSSH-UHFFFAOYSA-N 2 2 267.804 2.199 10 0 CEAELP CCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000134437343 344374385 /nfs/dbraw/zinc/37/43/85/344374385.db2.gz BNCTYOTXLWQKQS-QGZVFWFLSA-N 2 2 292.423 2.286 10 0 CEAELP CCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000134437343 344374386 /nfs/dbraw/zinc/37/43/86/344374386.db2.gz BNCTYOTXLWQKQS-QGZVFWFLSA-N 2 2 292.423 2.286 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437285 344374391 /nfs/dbraw/zinc/37/43/91/344374391.db2.gz UQDFRWAZSUZXGB-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437285 344374392 /nfs/dbraw/zinc/37/43/92/344374392.db2.gz UQDFRWAZSUZXGB-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP CC(C)C(=O)Nc1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000138626031 344391151 /nfs/dbraw/zinc/39/11/51/344391151.db2.gz DAEAZSJQJMQBRD-UHFFFAOYSA-N 2 2 289.423 2.419 10 0 CEAELP c1cn2c([nH+]1)C1(CC[NH2+]CC1)c1ccccc1CC2 ZINC000140565859 344398278 /nfs/dbraw/zinc/39/82/78/344398278.db2.gz BRYXNMQQQRHIIW-UHFFFAOYSA-N 2 2 253.349 2.109 10 0 CEAELP c1[nH+]c2ccccn2c1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328633516 344757280 /nfs/dbraw/zinc/75/72/80/344757280.db2.gz MCXVEPNRSGHMHK-CYBMUJFWSA-N 2 2 270.380 2.051 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384331190 344828453 /nfs/dbraw/zinc/82/84/53/344828453.db2.gz ADKHKFCDPMGWCE-RBSFLKMASA-N 2 2 268.445 2.248 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384331190 344828455 /nfs/dbraw/zinc/82/84/55/344828455.db2.gz ADKHKFCDPMGWCE-RBSFLKMASA-N 2 2 268.445 2.248 10 0 CEAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115005 344844194 /nfs/dbraw/zinc/84/41/94/344844194.db2.gz KPSAYGYUUACZDQ-AWEZNQCLSA-N 2 2 290.432 2.448 10 0 CEAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115005 344844196 /nfs/dbraw/zinc/84/41/96/344844196.db2.gz KPSAYGYUUACZDQ-AWEZNQCLSA-N 2 2 290.432 2.448 10 0 CEAELP Cc1ccc([N@H+](C)CCCC[C@](C)(O)C[NH3+])cc1 ZINC000085303379 179011050 /nfs/dbraw/zinc/01/10/50/179011050.db2.gz VVDRECKNEJTGLZ-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP Cc1ccc([N@@H+](C)CCCC[C@](C)(O)C[NH3+])cc1 ZINC000085303379 179011053 /nfs/dbraw/zinc/01/10/53/179011053.db2.gz VVDRECKNEJTGLZ-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP C[C@H](C[C@@](C)(O)C[NH3+])n1cc[nH+]c1-c1ccccc1 ZINC000085304762 179011976 /nfs/dbraw/zinc/01/19/76/179011976.db2.gz GBNUOAOQBLTAQS-IUODEOHRSA-N 2 2 259.353 2.211 10 0 CEAELP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000085360363 179032579 /nfs/dbraw/zinc/03/25/79/179032579.db2.gz ASYFOAFQBVVENU-CABCVRRESA-N 2 2 284.363 2.328 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000085397733 179050053 /nfs/dbraw/zinc/05/00/53/179050053.db2.gz GXHIUYHMCXDKLT-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000085397733 179050054 /nfs/dbraw/zinc/05/00/54/179050054.db2.gz GXHIUYHMCXDKLT-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476083 179079382 /nfs/dbraw/zinc/07/93/82/179079382.db2.gz WLXJFUQLRZSZAR-MJBXVCDLSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CCOC ZINC000085476083 179079384 /nfs/dbraw/zinc/07/93/84/179079384.db2.gz WLXJFUQLRZSZAR-MJBXVCDLSA-N 2 2 256.434 2.367 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](CCn2cccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516239 179087331 /nfs/dbraw/zinc/08/73/31/179087331.db2.gz XGKMIHKAKFVPKU-IRXDYDNUSA-N 2 2 288.439 2.126 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](CCn2cccn2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516239 179087333 /nfs/dbraw/zinc/08/73/33/179087333.db2.gz XGKMIHKAKFVPKU-IRXDYDNUSA-N 2 2 288.439 2.126 10 0 CEAELP CCC1(CC)C[N@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085520963 179088061 /nfs/dbraw/zinc/08/80/61/179088061.db2.gz MIYXYPPAIIGWJS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[N@@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085520963 179088062 /nfs/dbraw/zinc/08/80/62/179088062.db2.gz MIYXYPPAIIGWJS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000085612647 179103247 /nfs/dbraw/zinc/10/32/47/179103247.db2.gz PYHSDGVANIBQFC-UHFFFAOYSA-N 2 2 262.401 2.011 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000085612647 179103248 /nfs/dbraw/zinc/10/32/48/179103248.db2.gz PYHSDGVANIBQFC-UHFFFAOYSA-N 2 2 262.401 2.011 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612955 179103265 /nfs/dbraw/zinc/10/32/65/179103265.db2.gz ZSZXCOLKVKYINH-GFCCVEGCSA-N 2 2 280.334 2.029 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612955 179103266 /nfs/dbraw/zinc/10/32/66/179103266.db2.gz ZSZXCOLKVKYINH-GFCCVEGCSA-N 2 2 280.334 2.029 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085670401 179111101 /nfs/dbraw/zinc/11/11/01/179111101.db2.gz OVGNIRILLUHRKB-RDBSUJKOSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675449 179112659 /nfs/dbraw/zinc/11/26/59/179112659.db2.gz IIEXYNIQSKVNPJ-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP C[C@H]([NH3+])C1CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000111612450 136563225 /nfs/dbraw/zinc/56/32/25/136563225.db2.gz BHYNVXJBBBMAMB-NSHDSACASA-N 2 2 256.353 2.193 10 0 CEAELP CCC[NH2+][C@H](CCO)Cn1cc[nH+]c1-c1ccccc1 ZINC000085923326 179201646 /nfs/dbraw/zinc/20/16/46/179201646.db2.gz WINCHXZYOZSQDY-OAHLLOKOSA-N 2 2 273.380 2.301 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261355 179259779 /nfs/dbraw/zinc/25/97/79/179259779.db2.gz VFRCPBBGDQRZJW-TUVASFSCSA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C2CC2)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261355 179259781 /nfs/dbraw/zinc/25/97/81/179259781.db2.gz VFRCPBBGDQRZJW-TUVASFSCSA-N 2 2 252.402 2.016 10 0 CEAELP CCN1CCC[C@@H]([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289408 179264598 /nfs/dbraw/zinc/26/45/98/179264598.db2.gz KMASDZADOMHJQV-MRXNPFEDSA-N 2 2 279.472 2.469 10 0 CEAELP CCN1CCC[C@@H]([N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289408 179264599 /nfs/dbraw/zinc/26/45/99/179264599.db2.gz KMASDZADOMHJQV-MRXNPFEDSA-N 2 2 279.472 2.469 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258891 179257309 /nfs/dbraw/zinc/25/73/09/179257309.db2.gz SKXBMGFMPIKRSC-KBPBESRZSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC[C@@H]1CCCO1 ZINC000086258891 179257311 /nfs/dbraw/zinc/25/73/11/179257311.db2.gz SKXBMGFMPIKRSC-KBPBESRZSA-N 2 2 252.402 2.162 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291442 179265786 /nfs/dbraw/zinc/26/57/86/179265786.db2.gz UQYFZTYSPAZUER-MRXNPFEDSA-N 3 2 267.461 2.038 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291442 179265788 /nfs/dbraw/zinc/26/57/88/179265788.db2.gz UQYFZTYSPAZUER-MRXNPFEDSA-N 3 2 267.461 2.038 10 0 CEAELP Cc1nccc(C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)n1 ZINC000086292527 179266974 /nfs/dbraw/zinc/26/69/74/179266974.db2.gz GJXUXOOGAHCAAZ-UHFFFAOYSA-N 2 2 274.412 2.283 10 0 CEAELP Cc1nccc(C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)n1 ZINC000086292527 179266975 /nfs/dbraw/zinc/26/69/75/179266975.db2.gz GJXUXOOGAHCAAZ-UHFFFAOYSA-N 2 2 274.412 2.283 10 0 CEAELP c1[nH]cc(CC[NH2+]Cc2cccc3cccnc32)[nH+]1 ZINC000086507119 179302850 /nfs/dbraw/zinc/30/28/50/179302850.db2.gz ZBNRHPUISLUZGM-UHFFFAOYSA-N 2 2 252.321 2.290 10 0 CEAELP c1[nH]c(CC[NH2+]Cc2cccc3cccnc32)c[nH+]1 ZINC000086507119 179302851 /nfs/dbraw/zinc/30/28/51/179302851.db2.gz ZBNRHPUISLUZGM-UHFFFAOYSA-N 2 2 252.321 2.290 10 0 CEAELP C[NH2+][C@@H](Cc1cc(F)cc(Br)c1)C[NH+](C)C ZINC000086696410 179321045 /nfs/dbraw/zinc/32/10/45/179321045.db2.gz BGLNRIOPXVKYEB-LBPRGKRZSA-N 2 2 289.192 2.280 10 0 CEAELP C[C@@H]1C[C@@](C[NH3+])([N@H+](C)Cc2ccsc2)CS1 ZINC000086936656 179367662 /nfs/dbraw/zinc/36/76/62/179367662.db2.gz NVRGDRPJZJRFPN-PWSUYJOCSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@@H]1C[C@@](C[NH3+])([N@@H+](C)Cc2ccsc2)CS1 ZINC000086936656 179367664 /nfs/dbraw/zinc/36/76/64/179367664.db2.gz NVRGDRPJZJRFPN-PWSUYJOCSA-N 2 2 256.440 2.403 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc(CCO)cc1 ZINC000616680707 348558823 /nfs/dbraw/zinc/55/88/23/348558823.db2.gz ORDFOZAGYNCOQT-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc(CCO)cc1 ZINC000616680707 348558826 /nfs/dbraw/zinc/55/88/26/348558826.db2.gz ORDFOZAGYNCOQT-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000089108510 179704357 /nfs/dbraw/zinc/70/43/57/179704357.db2.gz FLEMNSNQJACLMA-OCCSQVGLSA-N 2 2 271.364 2.458 10 0 CEAELP CCc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH2+]C)C2)n(CC)n1 ZINC000089180589 179744799 /nfs/dbraw/zinc/74/47/99/179744799.db2.gz CGVMWZCBFPCYTF-ZIAGYGMSSA-N 2 2 278.444 2.285 10 0 CEAELP CCc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH2+]C)C2)n(CC)n1 ZINC000089180589 179744800 /nfs/dbraw/zinc/74/48/00/179744800.db2.gz CGVMWZCBFPCYTF-ZIAGYGMSSA-N 2 2 278.444 2.285 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@H](C[NH3+])[C@H]1CCCOC1 ZINC000104326390 185970383 /nfs/dbraw/zinc/97/03/83/185970383.db2.gz AQSXUKRIEMRYCH-LSDHHAIUSA-N 2 2 256.434 2.354 10 0 CEAELP C[C@@H](c1ccc(F)cc1Cl)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306305 179955055 /nfs/dbraw/zinc/95/50/55/179955055.db2.gz IWQBMVUREAFDMY-NSHDSACASA-N 2 2 297.805 2.130 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000104449632 186006275 /nfs/dbraw/zinc/00/62/75/186006275.db2.gz FTAQHEPNGOJVBU-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000104449632 186006276 /nfs/dbraw/zinc/00/62/76/186006276.db2.gz FTAQHEPNGOJVBU-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893516 180055232 /nfs/dbraw/zinc/05/52/32/180055232.db2.gz VDWSXVKAHZWHBF-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893516 180055236 /nfs/dbraw/zinc/05/52/36/180055236.db2.gz VDWSXVKAHZWHBF-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP [NH3+]C[C@H](C1CCCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905696 180059823 /nfs/dbraw/zinc/05/98/23/180059823.db2.gz ICQIUSHGUZTLCB-QLFBSQMISA-N 2 2 252.402 2.147 10 0 CEAELP [NH3+]C[C@H](C1CCCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905696 180059824 /nfs/dbraw/zinc/05/98/24/180059824.db2.gz ICQIUSHGUZTLCB-QLFBSQMISA-N 2 2 252.402 2.147 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905999 180061374 /nfs/dbraw/zinc/06/13/74/180061374.db2.gz PQWIRCJGKMXTRG-WQVCFCJDSA-N 2 2 290.407 2.339 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905999 180061375 /nfs/dbraw/zinc/06/13/75/180061375.db2.gz PQWIRCJGKMXTRG-WQVCFCJDSA-N 2 2 290.407 2.339 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907528 180061974 /nfs/dbraw/zinc/06/19/74/180061974.db2.gz ZGOPNFXEEYDZOA-QLFBSQMISA-N 2 2 252.402 2.018 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907528 180061975 /nfs/dbraw/zinc/06/19/75/180061975.db2.gz ZGOPNFXEEYDZOA-QLFBSQMISA-N 2 2 252.402 2.018 10 0 CEAELP Cn1cc[nH+]c1Cn1cc(C[NH2+]C2CC2)c2cccnc21 ZINC000091020968 180088538 /nfs/dbraw/zinc/08/85/38/180088538.db2.gz CXDJZSFDAWKJBB-UHFFFAOYSA-N 2 2 281.363 2.070 10 0 CEAELP [NH3+][C@H]1CCCCN(C2CC2)[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275677 180118464 /nfs/dbraw/zinc/11/84/64/180118464.db2.gz AXMYAUDLGNWLGN-ZFWWWQNUSA-N 2 2 260.385 2.235 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091277038 180119703 /nfs/dbraw/zinc/11/97/03/180119703.db2.gz PXILTZNXQFYJOZ-HOTGVXAUSA-N 2 2 274.412 2.325 10 0 CEAELP CN(CC(C)(C)C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276461 180120505 /nfs/dbraw/zinc/12/05/05/180120505.db2.gz VOXQQFDECFPJDA-LBPRGKRZSA-N 2 2 250.390 2.196 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@H+](C)CC1CC(O)C1 ZINC000091459711 180161086 /nfs/dbraw/zinc/16/10/86/180161086.db2.gz CCTTUMPSUGGASJ-KCVDBAPCSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091459711 180161088 /nfs/dbraw/zinc/16/10/88/180161088.db2.gz CCTTUMPSUGGASJ-KCVDBAPCSA-N 2 2 282.815 2.431 10 0 CEAELP C[N@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464609 180163322 /nfs/dbraw/zinc/16/33/22/180163322.db2.gz DPGDRGJNNAGWGL-UDNWOFFPSA-N 2 2 274.817 2.104 10 0 CEAELP C[N@@H+](CC1CC(O)C1)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000091464609 180163323 /nfs/dbraw/zinc/16/33/23/180163323.db2.gz DPGDRGJNNAGWGL-UDNWOFFPSA-N 2 2 274.817 2.104 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnco1 ZINC000091409073 180148412 /nfs/dbraw/zinc/14/84/12/180148412.db2.gz LUKBSEREPLJYMG-UHFFFAOYSA-N 2 2 256.309 2.123 10 0 CEAELP CC[NH2+][C@H](c1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571208 180195747 /nfs/dbraw/zinc/19/57/47/180195747.db2.gz WNNFZCXFRMDGGQ-KGLIPLIRSA-N 2 2 250.390 2.045 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571752 180196219 /nfs/dbraw/zinc/19/62/19/180196219.db2.gz QIIRGBCTOGAUQA-GOEBONIOSA-N 3 2 278.444 2.305 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCC1 ZINC000091609048 180205950 /nfs/dbraw/zinc/20/59/50/180205950.db2.gz LSSQHKXFLOOOAX-JKSUJKDBSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609048 180205951 /nfs/dbraw/zinc/20/59/51/180205951.db2.gz LSSQHKXFLOOOAX-JKSUJKDBSA-N 2 2 276.428 2.188 10 0 CEAELP C[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(C)(C)[NH+](C)C ZINC000091528625 180180698 /nfs/dbraw/zinc/18/06/98/180180698.db2.gz UBNVKJWAZOLSLL-HNNXBMFYSA-N 2 2 274.412 2.044 10 0 CEAELP CC[NH+](CC)C1([C@H]([NH2+]C)[C@H]2CCOC2)CCCC1 ZINC000091639432 180212604 /nfs/dbraw/zinc/21/26/04/180212604.db2.gz UCDKNTKMDDRVSV-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+][C@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091642918 180214090 /nfs/dbraw/zinc/21/40/90/180214090.db2.gz DQJKIXAGYZPOAO-CQSZACIVSA-N 2 2 252.402 2.149 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCCC1 ZINC000091647749 180215549 /nfs/dbraw/zinc/21/55/49/180215549.db2.gz DLOYCBQLRLOPIK-OAHLLOKOSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](C)c1sc([C@H]2C[N@H+](C)CCO2)nc1C ZINC000091722425 180239595 /nfs/dbraw/zinc/23/95/95/180239595.db2.gz VEIGEHNJENXWKP-MWLCHTKSSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@H](C)c1sc([C@H]2C[N@@H+](C)CCO2)nc1C ZINC000091722425 180239598 /nfs/dbraw/zinc/23/95/98/180239598.db2.gz VEIGEHNJENXWKP-MWLCHTKSSA-N 2 2 269.414 2.125 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1CCC[NH2+]CC(C)C ZINC000091723662 180241615 /nfs/dbraw/zinc/24/16/15/180241615.db2.gz WEPUDNAFWDBPSZ-UHFFFAOYSA-N 2 2 278.444 2.333 10 0 CEAELP C[N@@H+]1CCO[C@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723968 180241771 /nfs/dbraw/zinc/24/17/71/180241771.db2.gz BXNUNOSZALPJIG-AWEZNQCLSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723968 180241772 /nfs/dbraw/zinc/24/17/72/180241772.db2.gz BXNUNOSZALPJIG-AWEZNQCLSA-N 2 2 289.404 2.272 10 0 CEAELP C[NH2+][C@H](Cc1[nH+]cc(C)c(OC)c1C)C(C)(C)OC ZINC000092138882 180333467 /nfs/dbraw/zinc/33/34/67/180333467.db2.gz LGXGYBYGHFQXDB-CYBMUJFWSA-N 2 2 266.385 2.263 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C ZINC000092087456 180321270 /nfs/dbraw/zinc/32/12/70/180321270.db2.gz GOIDWVPTUHDRPF-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C ZINC000092087456 180321272 /nfs/dbraw/zinc/32/12/72/180321272.db2.gz GOIDWVPTUHDRPF-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000092339778 180365112 /nfs/dbraw/zinc/36/51/12/180365112.db2.gz POTBQHCBUQUZNC-HZMBPMFUSA-N 2 2 251.374 2.111 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000092339778 180365115 /nfs/dbraw/zinc/36/51/15/180365115.db2.gz POTBQHCBUQUZNC-HZMBPMFUSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1noc(C)c1[C@H](C)[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000092342442 180365545 /nfs/dbraw/zinc/36/55/45/180365545.db2.gz MSGJQDFGLBUOLA-NSHDSACASA-N 2 2 251.374 2.426 10 0 CEAELP Cc1noc(C)c1[C@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000092342442 180365547 /nfs/dbraw/zinc/36/55/47/180365547.db2.gz MSGJQDFGLBUOLA-NSHDSACASA-N 2 2 251.374 2.426 10 0 CEAELP C[N@@H+](Cc1cc(Cl)ccn1)C[C@@H]1CC[NH+](C)C1 ZINC000092416755 180381295 /nfs/dbraw/zinc/38/12/95/180381295.db2.gz NZVIQLDURBSSSR-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1cc(Cl)ccn1)C[C@@H]1CC[NH+](C)C1 ZINC000092416755 180381296 /nfs/dbraw/zinc/38/12/96/180381296.db2.gz NZVIQLDURBSSSR-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cc(Cl)ccn1)C[C@@H]1CC[N@H+](C)C1 ZINC000092416755 180381297 /nfs/dbraw/zinc/38/12/97/180381297.db2.gz NZVIQLDURBSSSR-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cc(Cl)ccn1)C[C@@H]1CC[N@@H+](C)C1 ZINC000092416755 180381298 /nfs/dbraw/zinc/38/12/98/180381298.db2.gz NZVIQLDURBSSSR-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP CNc1cc[nH+]c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000092419091 180382509 /nfs/dbraw/zinc/38/25/09/180382509.db2.gz ZSJKSFMBVFOFPU-UHFFFAOYSA-N 3 2 288.439 2.431 10 0 CEAELP CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3c[nH+]c(C)c3C)ccc21 ZINC000109573179 186263414 /nfs/dbraw/zinc/26/34/14/186263414.db2.gz UTAWKUCBQMCHSD-HNNXBMFYSA-N 2 2 284.363 2.482 10 0 CEAELP C[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931284 186333984 /nfs/dbraw/zinc/33/39/84/186333984.db2.gz KXUPBXDSAVPOGY-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931284 186333986 /nfs/dbraw/zinc/33/39/86/186333986.db2.gz KXUPBXDSAVPOGY-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110926044 186334016 /nfs/dbraw/zinc/33/40/16/186334016.db2.gz CLBVVNDIENEFDB-GFCCVEGCSA-N 2 2 270.323 2.472 10 0 CEAELP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110926044 186334017 /nfs/dbraw/zinc/33/40/17/186334017.db2.gz CLBVVNDIENEFDB-GFCCVEGCSA-N 2 2 270.323 2.472 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110753587 186321224 /nfs/dbraw/zinc/32/12/24/186321224.db2.gz CFYRIYSUBRVJBQ-CYBMUJFWSA-N 2 2 287.407 2.418 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110753587 186321226 /nfs/dbraw/zinc/32/12/26/186321226.db2.gz CFYRIYSUBRVJBQ-CYBMUJFWSA-N 2 2 287.407 2.418 10 0 CEAELP CCCOc1cc(NC[C@@H](C)[NH+](C)C)ccc1[NH3+] ZINC000111054690 186349256 /nfs/dbraw/zinc/34/92/56/186349256.db2.gz KNMDGMYKJQJLFO-LLVKDONJSA-N 2 2 251.374 2.420 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)CC2CCOCC2)[nH+]1 ZINC000111153808 186360568 /nfs/dbraw/zinc/36/05/68/186360568.db2.gz DJMQYZKJAPEXOX-UHFFFAOYSA-N 2 2 263.385 2.020 10 0 CEAELP CCOCC[N@H+](CC)[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116962 186354348 /nfs/dbraw/zinc/35/43/48/186354348.db2.gz REXBJUORJKMSCS-YPMHNXCESA-N 2 2 256.415 2.495 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116962 186354350 /nfs/dbraw/zinc/35/43/50/186354350.db2.gz REXBJUORJKMSCS-YPMHNXCESA-N 2 2 256.415 2.495 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+](C)CCC[NH+](C)C ZINC000111150512 186360025 /nfs/dbraw/zinc/36/00/25/186360025.db2.gz SJJHCVKAPNUKIY-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150512 186360026 /nfs/dbraw/zinc/36/00/26/186360026.db2.gz SJJHCVKAPNUKIY-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@@H]1CCCOC1 ZINC000111173850 186364707 /nfs/dbraw/zinc/36/47/07/186364707.db2.gz OPHBIGBIPFNUTJ-AWEZNQCLSA-N 2 2 277.412 2.281 10 0 CEAELP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325780 186398191 /nfs/dbraw/zinc/39/81/91/186398191.db2.gz LFJRSLMDAMYOLT-QGZVFWFLSA-N 2 2 298.471 2.140 10 0 CEAELP CC(C)C[NH2+]C[C@@]1(C[N@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325780 186398193 /nfs/dbraw/zinc/39/81/93/186398193.db2.gz LFJRSLMDAMYOLT-QGZVFWFLSA-N 2 2 298.471 2.140 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@](C)(O)CC)C1 ZINC000123568864 187099177 /nfs/dbraw/zinc/09/91/77/187099177.db2.gz ONXNSFXNJVEDGE-DZGCQCFKSA-N 2 2 265.401 2.243 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@](C)(O)CC)C1 ZINC000123568864 187099178 /nfs/dbraw/zinc/09/91/78/187099178.db2.gz ONXNSFXNJVEDGE-DZGCQCFKSA-N 2 2 265.401 2.243 10 0 CEAELP C[C@H](NC(=O)C1([NH3+])CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000237551199 539855894 /nfs/dbraw/zinc/85/58/94/539855894.db2.gz AJGWMZZZGOQRFT-ZDUSSCGKSA-N 2 2 298.390 2.321 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000252644362 539884146 /nfs/dbraw/zinc/88/41/46/539884146.db2.gz OMQMWLNEVOWRAV-RRFJBIMHSA-N 2 2 254.418 2.123 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000252644362 539884155 /nfs/dbraw/zinc/88/41/55/539884155.db2.gz OMQMWLNEVOWRAV-RRFJBIMHSA-N 2 2 254.418 2.123 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245626605 539952552 /nfs/dbraw/zinc/95/25/52/539952552.db2.gz PCTLSPRZNYYVBY-RRFJBIMHSA-N 2 2 275.396 2.119 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245626605 539952555 /nfs/dbraw/zinc/95/25/55/539952555.db2.gz PCTLSPRZNYYVBY-RRFJBIMHSA-N 2 2 275.396 2.119 10 0 CEAELP CC[C@@H]1C[N@@H+](CC23CCC(CC2)[NH2+]3)C[C@H](CC)O1 ZINC000675056056 540073589 /nfs/dbraw/zinc/07/35/89/540073589.db2.gz JFMCZPBVIVIPNH-HFDVOGEKSA-N 2 2 252.402 2.160 10 0 CEAELP CC[C@@H]1C[N@H+](CC23CCC(CC2)[NH2+]3)C[C@H](CC)O1 ZINC000675056056 540073593 /nfs/dbraw/zinc/07/35/93/540073593.db2.gz JFMCZPBVIVIPNH-HFDVOGEKSA-N 2 2 252.402 2.160 10 0 CEAELP CC(C)[C@H]([NH3+])CCN(C)c1[nH+]c2ccccc2n1C ZINC000133649020 366243635 /nfs/dbraw/zinc/24/36/35/366243635.db2.gz RDZGGIGKMPWUDM-GFCCVEGCSA-N 2 2 260.385 2.383 10 0 CEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000310567977 540344795 /nfs/dbraw/zinc/34/47/95/540344795.db2.gz YIGXGRRADSJPPT-NXEZZACHSA-N 2 2 276.833 2.365 10 0 CEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000310567977 540344799 /nfs/dbraw/zinc/34/47/99/540344799.db2.gz YIGXGRRADSJPPT-NXEZZACHSA-N 2 2 276.833 2.365 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064055 /nfs/dbraw/zinc/06/40/55/364064055.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 3 2 281.488 2.427 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064064 /nfs/dbraw/zinc/06/40/64/364064064.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064068 /nfs/dbraw/zinc/06/40/68/364064068.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064074 /nfs/dbraw/zinc/06/40/74/364064074.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 3 2 281.488 2.427 10 0 CEAELP CCCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000117880216 365129143 /nfs/dbraw/zinc/12/91/43/365129143.db2.gz NLUPKBONAHPVQV-UHFFFAOYSA-N 2 2 278.444 2.470 10 0 CEAELP CCCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000117880216 365129149 /nfs/dbraw/zinc/12/91/49/365129149.db2.gz NLUPKBONAHPVQV-UHFFFAOYSA-N 2 2 278.444 2.470 10 0 CEAELP CCC[C@H](C(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000162019349 367131583 /nfs/dbraw/zinc/13/15/83/367131583.db2.gz ADVXSTGHNGCJOZ-CQSZACIVSA-N 2 2 292.427 2.120 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000631843353 367586413 /nfs/dbraw/zinc/58/64/13/367586413.db2.gz MPHOHBNYMHHLHZ-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(-c3cccs3)on2)C[C@@H]1C[NH3+] ZINC000631843353 367586418 /nfs/dbraw/zinc/58/64/18/367586418.db2.gz MPHOHBNYMHHLHZ-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388799 368450236 /nfs/dbraw/zinc/45/02/36/368450236.db2.gz BSHJGCCUDDTGDN-TZMCWYRMSA-N 2 2 297.830 2.232 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000246043182 370902054 /nfs/dbraw/zinc/90/20/54/370902054.db2.gz OHMLTSWYPJCXCT-KBPBESRZSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000246043182 370902061 /nfs/dbraw/zinc/90/20/61/370902061.db2.gz OHMLTSWYPJCXCT-KBPBESRZSA-N 2 2 288.395 2.481 10 0 CEAELP O[C@@H](C[NH2+][C@H]1CCCc2occc21)C[NH+]1CCCCC1 ZINC000192721920 369846060 /nfs/dbraw/zinc/84/60/60/369846060.db2.gz KECQZYCZENWYDY-ZFWWWQNUSA-N 2 2 278.396 2.093 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000247010800 371044732 /nfs/dbraw/zinc/04/47/32/371044732.db2.gz CDVKOHLHYKTFPZ-ZIAGYGMSSA-N 2 2 263.385 2.261 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000247010800 371044737 /nfs/dbraw/zinc/04/47/37/371044737.db2.gz CDVKOHLHYKTFPZ-ZIAGYGMSSA-N 2 2 263.385 2.261 10 0 CEAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000250284224 371382194 /nfs/dbraw/zinc/38/21/94/371382194.db2.gz JHSKMEOJHSOGBN-FMKPAKJESA-N 2 2 292.423 2.339 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662490 371695915 /nfs/dbraw/zinc/69/59/15/371695915.db2.gz FFOBKGVELHJXLS-WCFLWFBJSA-N 2 2 273.336 2.104 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662490 371695920 /nfs/dbraw/zinc/69/59/20/371695920.db2.gz FFOBKGVELHJXLS-WCFLWFBJSA-N 2 2 273.336 2.104 10 0 CEAELP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262011677 371799626 /nfs/dbraw/zinc/79/96/26/371799626.db2.gz VRPRWMIGNGJUGR-BMFZPTHFSA-N 2 2 296.361 2.212 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262063346 371815723 /nfs/dbraw/zinc/81/57/23/371815723.db2.gz RKHUROVHFVQBAG-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262063346 371815729 /nfs/dbraw/zinc/81/57/29/371815729.db2.gz RKHUROVHFVQBAG-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP Cc1nc2ccc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2s1 ZINC000262100201 371823245 /nfs/dbraw/zinc/82/32/45/371823245.db2.gz VNRLYBYUBQPDNG-CABZTGNLSA-N 2 2 261.394 2.384 10 0 CEAELP Cc1nc2ccc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2s1 ZINC000262100201 371823249 /nfs/dbraw/zinc/82/32/49/371823249.db2.gz VNRLYBYUBQPDNG-CABZTGNLSA-N 2 2 261.394 2.384 10 0 CEAELP [NH3+][C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000093205202 184654984 /nfs/dbraw/zinc/65/49/84/184654984.db2.gz UFSVRJSMZZLXNI-RDJZCZTQSA-N 3 2 273.424 2.120 10 0 CEAELP C[NH2+]Cc1ccc(OCc2c[nH+]cn2C(C)C)cn1 ZINC000094209139 184763080 /nfs/dbraw/zinc/76/30/80/184763080.db2.gz UMBMKDPQHWSURL-UHFFFAOYSA-N 2 2 260.341 2.157 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000400534021 533554729 /nfs/dbraw/zinc/55/47/29/533554729.db2.gz SNTRSHWNVZYLBG-CHWSQXEVSA-N 2 2 260.385 2.092 10 0 CEAELP C[C@H]1CCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086676385 135048501 /nfs/dbraw/zinc/04/85/01/135048501.db2.gz TZJHAZKQNNNIDU-YOEHRIQHSA-N 2 2 291.414 2.465 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000086817590 135048542 /nfs/dbraw/zinc/04/85/42/135048542.db2.gz YSVIIPHZROGNQM-OAHLLOKOSA-N 3 2 288.439 2.124 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000086817590 135048545 /nfs/dbraw/zinc/04/85/45/135048545.db2.gz YSVIIPHZROGNQM-OAHLLOKOSA-N 3 2 288.439 2.124 10 0 CEAELP CC(C)(C)[NH+]1CCN(c2nc[nH+]c3cc(N)ccc32)CC1 ZINC000087820344 135051294 /nfs/dbraw/zinc/05/12/94/135051294.db2.gz PICGCPYVXNWLOP-UHFFFAOYSA-N 2 2 285.395 2.133 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]12 ZINC000261680939 394605982 /nfs/dbraw/zinc/60/59/82/394605982.db2.gz MKGYIEXWZOEMSO-RRQGHBQHSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]12 ZINC000261680939 394605985 /nfs/dbraw/zinc/60/59/85/394605985.db2.gz MKGYIEXWZOEMSO-RRQGHBQHSA-N 2 2 282.391 2.041 10 0 CEAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[NH+]1CCCCC1)C2 ZINC000132298458 394927941 /nfs/dbraw/zinc/92/79/41/394927941.db2.gz DTDYLIQOMIEKMD-UHFFFAOYSA-N 2 2 290.455 2.388 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000180131244 165301150 /nfs/dbraw/zinc/30/11/50/165301150.db2.gz DZKDBXCUHSWJMA-OAHLLOKOSA-N 2 2 261.369 2.003 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000180131244 165301154 /nfs/dbraw/zinc/30/11/54/165301154.db2.gz DZKDBXCUHSWJMA-OAHLLOKOSA-N 2 2 261.369 2.003 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC000182148005 165366385 /nfs/dbraw/zinc/36/63/85/165366385.db2.gz QUJJLGVHAQXEFG-CHWSQXEVSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC000182148005 165366387 /nfs/dbraw/zinc/36/63/87/165366387.db2.gz QUJJLGVHAQXEFG-CHWSQXEVSA-N 2 2 251.374 2.117 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[NH+]2CCSCC2)c(C)c1 ZINC000020257014 171111410 /nfs/dbraw/zinc/11/14/10/171111410.db2.gz KSWIUPGVFLWITC-CQSZACIVSA-N 2 2 250.411 2.352 10 0 CEAELP COc1ccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)c(OC)c1 ZINC000022045335 171350495 /nfs/dbraw/zinc/35/04/95/171350495.db2.gz KSVRFAWDDJQQCT-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc([C@H](C)[N@H+]2CCC[NH2+]CC2)c(OC)c1 ZINC000022045335 171350496 /nfs/dbraw/zinc/35/04/96/171350496.db2.gz KSVRFAWDDJQQCT-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1OC ZINC000022049894 171350761 /nfs/dbraw/zinc/35/07/61/171350761.db2.gz ZWKSCGWONBFEEZ-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cc1OC ZINC000022049894 171350762 /nfs/dbraw/zinc/35/07/62/171350762.db2.gz ZWKSCGWONBFEEZ-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP c1ccc([C@@H](c2ccccn2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022108572 171353105 /nfs/dbraw/zinc/35/31/05/171353105.db2.gz GAGRQQXAFBKXPN-KRWDZBQOSA-N 2 2 267.376 2.466 10 0 CEAELP c1ccc([C@@H](c2ccccn2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022108572 171353107 /nfs/dbraw/zinc/35/31/07/171353107.db2.gz GAGRQQXAFBKXPN-KRWDZBQOSA-N 2 2 267.376 2.466 10 0 CEAELP CCN(C1CCCCC1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000035221571 172063933 /nfs/dbraw/zinc/06/39/33/172063933.db2.gz UQOZJXOHNPMCQX-MRXNPFEDSA-N 2 2 265.445 2.064 10 0 CEAELP Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042961 174047659 /nfs/dbraw/zinc/04/76/59/174047659.db2.gz XBYDWZITZBBDSJ-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042961 174047661 /nfs/dbraw/zinc/04/76/61/174047661.db2.gz XBYDWZITZBBDSJ-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038090929 174105018 /nfs/dbraw/zinc/10/50/18/174105018.db2.gz IHJASVSATQNRAZ-RYUDHWBXSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000038090929 174105021 /nfs/dbraw/zinc/10/50/21/174105021.db2.gz IHJASVSATQNRAZ-RYUDHWBXSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1[nH+]c2ccccc2n1CCC[NH+]1CCOCC1 ZINC000040389776 174252454 /nfs/dbraw/zinc/25/24/54/174252454.db2.gz NAXSYBRBXRCUHQ-UHFFFAOYSA-N 2 2 259.353 2.067 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657427907 414931225 /nfs/dbraw/zinc/93/12/25/414931225.db2.gz GWJGBFKHUMNJMP-HNNXBMFYSA-N 2 2 298.434 2.439 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1c[nH+]c2n1CCC2 ZINC000657427907 414931228 /nfs/dbraw/zinc/93/12/28/414931228.db2.gz GWJGBFKHUMNJMP-HNNXBMFYSA-N 2 2 298.434 2.439 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1C)[NH+](CCOC)CCOC ZINC000043035495 174950352 /nfs/dbraw/zinc/95/03/52/174950352.db2.gz YPANTNSYYFISIT-IRXDYDNUSA-N 2 2 294.439 2.368 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccsc1)[NH+]1CCC(CC(N)=O)CC1 ZINC000043123785 174976946 /nfs/dbraw/zinc/97/69/46/174976946.db2.gz NOEHQNHXVBAWDF-UKRRQHHQSA-N 2 2 295.452 2.114 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[NH+]1CCC(CC)CC1 ZINC000043128793 174979629 /nfs/dbraw/zinc/97/96/29/174979629.db2.gz QKIYYYFRIOLMDR-CABCVRRESA-N 2 2 264.417 2.321 10 0 CEAELP FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326673 175008310 /nfs/dbraw/zinc/00/83/10/175008310.db2.gz YPOXULRGTISFJA-VWYCJHECSA-N 2 2 250.308 2.449 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336133 175012090 /nfs/dbraw/zinc/01/20/90/175012090.db2.gz YLZOUAJOWMRTMO-WFASDCNBSA-N 2 2 266.385 2.295 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336133 175012091 /nfs/dbraw/zinc/01/20/91/175012091.db2.gz YLZOUAJOWMRTMO-WFASDCNBSA-N 2 2 266.385 2.295 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043339697 175013554 /nfs/dbraw/zinc/01/35/54/175013554.db2.gz FOLUUDUGQFUADP-GDBMZVCRSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCC1 ZINC000043348337 175018379 /nfs/dbraw/zinc/01/83/79/175018379.db2.gz HKKKPXUWANWDFT-HOTGVXAUSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCC1 ZINC000043348337 175018380 /nfs/dbraw/zinc/01/83/80/175018380.db2.gz HKKKPXUWANWDFT-HOTGVXAUSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353853 175020717 /nfs/dbraw/zinc/02/07/17/175020717.db2.gz KICKBWAONRRCPW-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353853 175020720 /nfs/dbraw/zinc/02/07/20/175020720.db2.gz KICKBWAONRRCPW-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCCSCC1 ZINC000043354054 175021353 /nfs/dbraw/zinc/02/13/53/175021353.db2.gz LZKZKXZPHOYILT-KGLIPLIRSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCCSCC1 ZINC000043354054 175021355 /nfs/dbraw/zinc/02/13/55/175021355.db2.gz LZKZKXZPHOYILT-KGLIPLIRSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCC1 ZINC000043354628 175022262 /nfs/dbraw/zinc/02/22/62/175022262.db2.gz KWMPFWARSJDPQN-CVEARBPZSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCC1 ZINC000043354628 175022264 /nfs/dbraw/zinc/02/22/64/175022264.db2.gz KWMPFWARSJDPQN-CVEARBPZSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)C1CCOCC1 ZINC000043364464 175025221 /nfs/dbraw/zinc/02/52/21/175025221.db2.gz YWRCEUFKVPPQKT-DZGCQCFKSA-N 2 2 266.385 2.477 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)C1CCOCC1 ZINC000043364464 175025222 /nfs/dbraw/zinc/02/52/22/175025222.db2.gz YWRCEUFKVPPQKT-DZGCQCFKSA-N 2 2 266.385 2.477 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898143 175121113 /nfs/dbraw/zinc/12/11/13/175121113.db2.gz ZBZIASGUDIVLPC-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898143 175121114 /nfs/dbraw/zinc/12/11/14/175121114.db2.gz ZBZIASGUDIVLPC-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902155 175122936 /nfs/dbraw/zinc/12/29/36/175122936.db2.gz CXYDUAHXGWXBGF-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902155 175122938 /nfs/dbraw/zinc/12/29/38/175122938.db2.gz CXYDUAHXGWXBGF-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907529 175123151 /nfs/dbraw/zinc/12/31/51/175123151.db2.gz QAHBRICSNHZHGV-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916106 175125124 /nfs/dbraw/zinc/12/51/24/175125124.db2.gz OFBMCYCVXLJYMG-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916106 175125125 /nfs/dbraw/zinc/12/51/25/175125125.db2.gz OFBMCYCVXLJYMG-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916942 175125542 /nfs/dbraw/zinc/12/55/42/175125542.db2.gz JMPMZWVBERGFMW-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916942 175125544 /nfs/dbraw/zinc/12/55/44/175125544.db2.gz JMPMZWVBERGFMW-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965763 175126886 /nfs/dbraw/zinc/12/68/86/175126886.db2.gz PWRBYDVJNCEWNN-BPUTZDHNSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965763 175126887 /nfs/dbraw/zinc/12/68/87/175126887.db2.gz PWRBYDVJNCEWNN-BPUTZDHNSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965893 175127081 /nfs/dbraw/zinc/12/70/81/175127081.db2.gz LZKGFCTUWIQTGC-RRQGHBQHSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965893 175127082 /nfs/dbraw/zinc/12/70/82/175127082.db2.gz LZKGFCTUWIQTGC-RRQGHBQHSA-N 2 2 292.423 2.455 10 0 CEAELP CCOc1ccc([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121160 175142627 /nfs/dbraw/zinc/14/26/27/175142627.db2.gz IWOFGWJBZZSEMO-QGZVFWFLSA-N 2 2 292.423 2.145 10 0 CEAELP CCOc1ccc([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121160 175142628 /nfs/dbraw/zinc/14/26/28/175142628.db2.gz IWOFGWJBZZSEMO-QGZVFWFLSA-N 2 2 292.423 2.145 10 0 CEAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000044747497 175243035 /nfs/dbraw/zinc/24/30/35/175243035.db2.gz AORNOAYLLOXKTI-OAHLLOKOSA-N 2 2 257.337 2.256 10 0 CEAELP [NH3+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1)OCCO2 ZINC000045073202 175302824 /nfs/dbraw/zinc/30/28/24/175302824.db2.gz QIAFGCBLGMBGIJ-ARFHVFGLSA-N 2 2 294.439 2.264 10 0 CEAELP [NH3+][C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H]1C1CCCC1)OCCO2 ZINC000045073202 175302825 /nfs/dbraw/zinc/30/28/25/175302825.db2.gz QIAFGCBLGMBGIJ-ARFHVFGLSA-N 2 2 294.439 2.264 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1C ZINC000045172152 175321930 /nfs/dbraw/zinc/32/19/30/175321930.db2.gz LFOAMOBFKJAJPJ-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1C ZINC000045172152 175321931 /nfs/dbraw/zinc/32/19/31/175321931.db2.gz LFOAMOBFKJAJPJ-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369919 175363459 /nfs/dbraw/zinc/36/34/59/175363459.db2.gz ULIYGKHNPTVJRZ-MRXNPFEDSA-N 2 2 278.396 2.492 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369919 175363460 /nfs/dbraw/zinc/36/34/60/175363460.db2.gz ULIYGKHNPTVJRZ-MRXNPFEDSA-N 2 2 278.396 2.492 10 0 CEAELP C[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374786 175365350 /nfs/dbraw/zinc/36/53/50/175365350.db2.gz GZIDBVCYNYDFFA-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP CCOc1cc(C[NH2+]CCc2c[nH]c[nH+]2)ccc1OC ZINC000045946284 175388197 /nfs/dbraw/zinc/38/81/97/175388197.db2.gz IJRNLTHSAGPKGN-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP CCOc1cc(C[NH2+]CCc2c[nH+]c[nH]2)ccc1OC ZINC000045946284 175388198 /nfs/dbraw/zinc/38/81/98/175388198.db2.gz IJRNLTHSAGPKGN-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145255 176042212 /nfs/dbraw/zinc/04/22/12/176042212.db2.gz BAIJJDUYHMTYLK-HNNXBMFYSA-N 2 2 295.471 2.097 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145255 176042214 /nfs/dbraw/zinc/04/22/14/176042214.db2.gz BAIJJDUYHMTYLK-HNNXBMFYSA-N 2 2 295.471 2.097 10 0 CEAELP CN(C[C@H]1CC[N@H+](C)C1)c1[nH+]c(CO)cc2ccccc21 ZINC000071190293 176066230 /nfs/dbraw/zinc/06/62/30/176066230.db2.gz QUQTYMHLJDXPJR-ZDUSSCGKSA-N 2 2 285.391 2.115 10 0 CEAELP CN(C[C@H]1CC[N@@H+](C)C1)c1[nH+]c(CO)cc2ccccc21 ZINC000071190293 176066231 /nfs/dbraw/zinc/06/62/31/176066231.db2.gz QUQTYMHLJDXPJR-ZDUSSCGKSA-N 2 2 285.391 2.115 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191444 176069248 /nfs/dbraw/zinc/06/92/48/176069248.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191444 176069249 /nfs/dbraw/zinc/06/92/49/176069249.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191444 176069251 /nfs/dbraw/zinc/06/92/51/176069251.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191444 176069252 /nfs/dbraw/zinc/06/92/52/176069252.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191411 176070248 /nfs/dbraw/zinc/07/02/48/176070248.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191411 176070249 /nfs/dbraw/zinc/07/02/49/176070249.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071191411 176070250 /nfs/dbraw/zinc/07/02/50/176070250.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071191411 176070252 /nfs/dbraw/zinc/07/02/52/176070252.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191965 176072769 /nfs/dbraw/zinc/07/27/69/176072769.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191965 176072771 /nfs/dbraw/zinc/07/27/71/176072771.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191965 176072772 /nfs/dbraw/zinc/07/27/72/176072772.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191965 176072774 /nfs/dbraw/zinc/07/27/74/176072774.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP COCCN(CCC[NH3+])c1[nH+]c2ccccc2cc1C ZINC000071223550 176088337 /nfs/dbraw/zinc/08/83/37/176088337.db2.gz NQVSFWSQGPFZIO-UHFFFAOYSA-N 2 2 273.380 2.345 10 0 CEAELP C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267677 176101336 /nfs/dbraw/zinc/10/13/36/176101336.db2.gz TZBRKKORKIBPCN-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1ccncc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267677 176101337 /nfs/dbraw/zinc/10/13/37/176101337.db2.gz TZBRKKORKIBPCN-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CCCCn1cc[nH+]c1 ZINC000071293975 176111653 /nfs/dbraw/zinc/11/16/53/176111653.db2.gz WFIKNFPBJVWINR-UHFFFAOYSA-N 2 2 281.400 2.376 10 0 CEAELP CCOC(=O)CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000071297776 176112435 /nfs/dbraw/zinc/11/24/35/176112435.db2.gz IOXOBPPNIYKJES-GJZGRUSLSA-N 2 2 282.428 2.326 10 0 CEAELP CCOC(=O)CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000071297776 176112437 /nfs/dbraw/zinc/11/24/37/176112437.db2.gz IOXOBPPNIYKJES-GJZGRUSLSA-N 2 2 282.428 2.326 10 0 CEAELP c1cn([C@H]2CCC[C@@H]2[NH2+]Cc2cnn3ccccc23)c[nH+]1 ZINC000071373012 176138610 /nfs/dbraw/zinc/13/86/10/176138610.db2.gz AHFZLFMBWCIOSM-HOCLYGCPSA-N 2 2 281.363 2.414 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C)ccc2N)CC1 ZINC000071383907 176147186 /nfs/dbraw/zinc/14/71/86/176147186.db2.gz WMHDNPVMHPRHSD-UHFFFAOYSA-N 2 2 261.413 2.493 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)ccc2N)CC1 ZINC000071383907 176147188 /nfs/dbraw/zinc/14/71/88/176147188.db2.gz WMHDNPVMHPRHSD-UHFFFAOYSA-N 2 2 261.413 2.493 10 0 CEAELP Cc1ccc(OCCCn2cc[nH+]c2)c(CC[NH3+])c1 ZINC000071411461 176157085 /nfs/dbraw/zinc/15/70/85/176157085.db2.gz VMRYQNRFXIPTEJ-UHFFFAOYSA-N 2 2 259.353 2.162 10 0 CEAELP CCc1ccc(OC)c(Cc2[nH]c(CC[NH3+])c[nH+]2)c1 ZINC000071585435 176210778 /nfs/dbraw/zinc/21/07/78/176210778.db2.gz NRVFTKZHKHBLLG-UHFFFAOYSA-N 2 2 259.353 2.073 10 0 CEAELP CCc1ccc(OC)c(Cc2[nH]cc(CC[NH3+])[nH+]2)c1 ZINC000071585435 176210779 /nfs/dbraw/zinc/21/07/79/176210779.db2.gz NRVFTKZHKHBLLG-UHFFFAOYSA-N 2 2 259.353 2.073 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302669 /nfs/dbraw/zinc/30/26/69/280302669.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302671 /nfs/dbraw/zinc/30/26/71/280302671.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302674 /nfs/dbraw/zinc/30/26/74/280302674.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302676 /nfs/dbraw/zinc/30/26/76/280302676.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992142 280378394 /nfs/dbraw/zinc/37/83/94/280378394.db2.gz LHBOQRDCAYMCGU-ZIAGYGMSSA-N 2 2 256.434 2.105 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992142 280378397 /nfs/dbraw/zinc/37/83/97/280378397.db2.gz LHBOQRDCAYMCGU-ZIAGYGMSSA-N 2 2 256.434 2.105 10 0 CEAELP Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2c([nH+]1)CCCC2 ZINC000272808179 282012210 /nfs/dbraw/zinc/01/22/10/282012210.db2.gz CAHFMDRHHYSJAV-NHYWBVRUSA-N 2 2 274.412 2.050 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC(C)(C)C2)c(C)o1 ZINC000052481903 519989481 /nfs/dbraw/zinc/98/94/81/519989481.db2.gz BOQQVNFSULCGDC-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC(C)(C)C2)c(C)o1 ZINC000052481903 519989492 /nfs/dbraw/zinc/98/94/92/519989492.db2.gz BOQQVNFSULCGDC-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1coc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540281 520017632 /nfs/dbraw/zinc/01/76/32/520017632.db2.gz BJVUOUOUSSGJIN-GJZGRUSLSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1coc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540281 520017641 /nfs/dbraw/zinc/01/76/41/520017641.db2.gz BJVUOUOUSSGJIN-GJZGRUSLSA-N 2 2 264.369 2.142 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000052540238 518763602 /nfs/dbraw/zinc/76/36/02/518763602.db2.gz AIAZIULMVFWTKQ-LSDHHAIUSA-N 2 2 293.411 2.316 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)on1 ZINC000052540238 518763608 /nfs/dbraw/zinc/76/36/08/518763608.db2.gz AIAZIULMVFWTKQ-LSDHHAIUSA-N 2 2 293.411 2.316 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419816 519728015 /nfs/dbraw/zinc/72/80/15/519728015.db2.gz UCKWIXPCUNOAQM-UHFFFAOYSA-N 3 2 279.428 2.304 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419816 519728018 /nfs/dbraw/zinc/72/80/18/519728018.db2.gz UCKWIXPCUNOAQM-UHFFFAOYSA-N 3 2 279.428 2.304 10 0 CEAELP CC(C)[NH2+][C@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068642044 519740222 /nfs/dbraw/zinc/74/02/22/519740222.db2.gz ZXDLVYPYZBDFBZ-SUMWQHHRSA-N 2 2 289.423 2.023 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@@H+]2CCOC(C)(C)C2)CCOCC1 ZINC000052181943 519742914 /nfs/dbraw/zinc/74/29/14/519742914.db2.gz VMOCQRXGVBQFFY-UHFFFAOYSA-N 2 2 298.471 2.140 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@H+]2CCOC(C)(C)C2)CCOCC1 ZINC000052181943 519742916 /nfs/dbraw/zinc/74/29/16/519742916.db2.gz VMOCQRXGVBQFFY-UHFFFAOYSA-N 2 2 298.471 2.140 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476717 519989913 /nfs/dbraw/zinc/98/99/13/519989913.db2.gz JXOVYBYULZKNML-NWDGAFQWSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476717 519989919 /nfs/dbraw/zinc/98/99/19/519989919.db2.gz JXOVYBYULZKNML-NWDGAFQWSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000052380322 519990540 /nfs/dbraw/zinc/99/05/40/519990540.db2.gz DSIIEOVBLKFREN-TXEJJXNPSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000052380322 519990549 /nfs/dbraw/zinc/99/05/49/519990549.db2.gz DSIIEOVBLKFREN-TXEJJXNPSA-N 2 2 266.385 2.307 10 0 CEAELP CCC[NH2+][C@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)C(=O)OC ZINC000068650051 520111947 /nfs/dbraw/zinc/11/19/47/520111947.db2.gz GRGIZDGEALUWFT-IAQYHMDHSA-N 2 2 281.400 2.382 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000061270195 520170694 /nfs/dbraw/zinc/17/06/94/520170694.db2.gz CIFKIMIRYSMRHM-GFCCVEGCSA-N 2 2 272.352 2.199 10 0 CEAELP CCC[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C(C)C)C[NH2+]1 ZINC000068700645 520837662 /nfs/dbraw/zinc/83/76/62/520837662.db2.gz KDYYIBQTPORXOK-CVEARBPZSA-N 2 2 278.444 2.372 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@H](C)n1cc[nH+]c1C)[NH2+]C1CC1 ZINC000068648822 521154338 /nfs/dbraw/zinc/15/43/38/521154338.db2.gz ZSOFHBOIEMYWER-XHDPSFHLSA-N 2 2 279.384 2.216 10 0 CEAELP CCOC(=O)[C@](C)([NH3+])C[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641925 521326869 /nfs/dbraw/zinc/32/68/69/521326869.db2.gz UXFMABWWWAMFSQ-MLGOLLRUSA-N 2 2 276.380 2.061 10 0 CEAELP CC[N@H+](Cc1ccco1)[C@]1(C[NH3+])CCCSC1 ZINC000061590139 521400865 /nfs/dbraw/zinc/40/08/65/521400865.db2.gz TUGDAANFFRSNMX-ZDUSSCGKSA-N 2 2 254.399 2.326 10 0 CEAELP CC[N@@H+](Cc1ccco1)[C@]1(C[NH3+])CCCSC1 ZINC000061590139 521400880 /nfs/dbraw/zinc/40/08/80/521400880.db2.gz TUGDAANFFRSNMX-ZDUSSCGKSA-N 2 2 254.399 2.326 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000068650311 521555779 /nfs/dbraw/zinc/55/57/79/521555779.db2.gz GYSJHQJRIIKYDH-WBMJQRKESA-N 2 2 293.411 2.470 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@@H+]1CCn1cccn1 ZINC000068704486 521690197 /nfs/dbraw/zinc/69/01/97/521690197.db2.gz HKVFKBJBYSCFOR-OAHLLOKOSA-N 2 2 278.444 2.372 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@H+]1CCn1cccn1 ZINC000068704486 521690199 /nfs/dbraw/zinc/69/01/99/521690199.db2.gz HKVFKBJBYSCFOR-OAHLLOKOSA-N 2 2 278.444 2.372 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1 ZINC000052203705 521928994 /nfs/dbraw/zinc/92/89/94/521928994.db2.gz FKXISJBXLFHBTJ-GOEBONIOSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1 ZINC000052203705 521929002 /nfs/dbraw/zinc/92/90/02/521929002.db2.gz FKXISJBXLFHBTJ-GOEBONIOSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[NH+]1CCC(OC)CC1 ZINC000052203497 521954266 /nfs/dbraw/zinc/95/42/66/521954266.db2.gz IPCLGQXVPINSTD-INIZCTEOSA-N 2 2 262.397 2.360 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418165 522025176 /nfs/dbraw/zinc/02/51/76/522025176.db2.gz KOZGZYFLRAIHRK-INIZCTEOSA-N 2 2 279.403 2.192 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418893 522026044 /nfs/dbraw/zinc/02/60/44/522026044.db2.gz GBMSIRSSLYJOBP-KRWDZBQOSA-N 2 2 275.440 2.361 10 0 CEAELP C[NH2+]C[C@H]1CCCCN1Cc1cn2cccc(C)c2[nH+]1 ZINC000063168762 522079697 /nfs/dbraw/zinc/07/96/97/522079697.db2.gz MJBPDJLZNYYWFW-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP C[NH2+]Cc1cccc(C[N@H+](C)Cc2cscn2)c1 ZINC000052503753 522127597 /nfs/dbraw/zinc/12/75/97/522127597.db2.gz XPPHGEGMEMOQEC-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP C[NH2+]Cc1cccc(C[N@@H+](C)Cc2cscn2)c1 ZINC000052503753 522127606 /nfs/dbraw/zinc/12/76/06/522127606.db2.gz XPPHGEGMEMOQEC-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP CCc1[nH+]c2ccccc2n1CCC[NH2+]CCOC ZINC000062807509 522502452 /nfs/dbraw/zinc/50/24/52/522502452.db2.gz FFSCNTJUISIMFG-UHFFFAOYSA-N 2 2 261.369 2.225 10 0 CEAELP CCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000068649439 522594866 /nfs/dbraw/zinc/59/48/66/522594866.db2.gz TZCHNGFFMODYAA-IUODEOHRSA-N 2 2 281.400 2.326 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757220 522649413 /nfs/dbraw/zinc/64/94/13/522649413.db2.gz KXMAMQVNXFEJAO-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757220 522649418 /nfs/dbraw/zinc/64/94/18/522649418.db2.gz KXMAMQVNXFEJAO-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP C[N@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000049596345 522673329 /nfs/dbraw/zinc/67/33/29/522673329.db2.gz OLBDSUNNWKFSCH-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP C[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000049596345 522673342 /nfs/dbraw/zinc/67/33/42/522673342.db2.gz OLBDSUNNWKFSCH-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP CCc1nn(C)cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157499785 522693826 /nfs/dbraw/zinc/69/38/26/522693826.db2.gz NXVJYJAVYGSSFK-ZBFHGGJFSA-N 2 2 270.380 2.217 10 0 CEAELP C[N@H+](Cc1ccnc(C[NH3+])c1)Cc1ccccc1F ZINC000068749598 523453531 /nfs/dbraw/zinc/45/35/31/523453531.db2.gz SHBCDQLLLDYNNK-UHFFFAOYSA-N 2 2 259.328 2.311 10 0 CEAELP C[N@@H+](Cc1ccnc(C[NH3+])c1)Cc1ccccc1F ZINC000068749598 523453539 /nfs/dbraw/zinc/45/35/39/523453539.db2.gz SHBCDQLLLDYNNK-UHFFFAOYSA-N 2 2 259.328 2.311 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579001 523783065 /nfs/dbraw/zinc/78/30/65/523783065.db2.gz VRNUMNDAWAJJLN-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579001 523783073 /nfs/dbraw/zinc/78/30/73/523783073.db2.gz VRNUMNDAWAJJLN-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1ccc(C[N@@H+](C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061657875 524394014 /nfs/dbraw/zinc/39/40/14/524394014.db2.gz UMLOMMIKLUQTPS-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP Cc1ccc(C[N@H+](C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061657875 524394020 /nfs/dbraw/zinc/39/40/20/524394020.db2.gz UMLOMMIKLUQTPS-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000052418580 524476270 /nfs/dbraw/zinc/47/62/70/524476270.db2.gz AIOSOHCEMOHGRC-OAHLLOKOSA-N 2 2 290.455 2.228 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638485 524864331 /nfs/dbraw/zinc/86/43/31/524864331.db2.gz GIHKBGUVMLZRAD-GUYCJALGSA-N 2 2 295.471 2.273 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)CC1CCCCC1 ZINC000068638485 524864338 /nfs/dbraw/zinc/86/43/38/524864338.db2.gz GIHKBGUVMLZRAD-GUYCJALGSA-N 2 2 295.471 2.273 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757156 524879587 /nfs/dbraw/zinc/87/95/87/524879587.db2.gz CZVVTHXHGVSXBZ-CVEARBPZSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757156 524879594 /nfs/dbraw/zinc/87/95/94/524879594.db2.gz CZVVTHXHGVSXBZ-CVEARBPZSA-N 2 2 262.397 2.232 10 0 CEAELP C[C@H](O)c1[nH+]c2cc(N)ccc2n1[C@@H](C)CC[NH+](C)C ZINC000053737392 525874655 /nfs/dbraw/zinc/87/46/55/525874655.db2.gz AEGSERMJAAUYKP-QWRGUYRKSA-N 2 2 276.384 2.185 10 0 CEAELP c1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c(C[NH2+]C2CC2)o1 ZINC000052540223 526424272 /nfs/dbraw/zinc/42/42/72/526424272.db2.gz LZQAOHDPZAJZLI-GJZGRUSLSA-N 2 2 276.380 2.285 10 0 CEAELP c1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c(C[NH2+]C2CC2)o1 ZINC000052540223 526424275 /nfs/dbraw/zinc/42/42/75/526424275.db2.gz LZQAOHDPZAJZLI-GJZGRUSLSA-N 2 2 276.380 2.285 10 0 CEAELP Cc1oc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C[NH3+] ZINC000052484207 526771117 /nfs/dbraw/zinc/77/11/17/526771117.db2.gz URJZHACZLCEBAC-UHFFFAOYSA-N 3 2 291.439 2.497 10 0 CEAELP Cc1[nH+]c[nH]c1C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC000054797618 527213939 /nfs/dbraw/zinc/21/39/39/527213939.db2.gz WVFFDODPUQZLCO-SNVBAGLBSA-N 2 2 255.325 2.445 10 0 CEAELP [NH3+]C[C@H]([C@@H]1CCOC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000061818832 527228751 /nfs/dbraw/zinc/22/87/51/527228751.db2.gz ULUHRIWUSRVFPJ-HUUCEWRRSA-N 2 2 266.429 2.397 10 0 CEAELP [NH3+]Cc1ncccc1Cn1cc[nH+]c1-c1ccccc1 ZINC000061657094 527266937 /nfs/dbraw/zinc/26/69/37/527266937.db2.gz UUUCFLZJIIHHAW-UHFFFAOYSA-N 2 2 264.332 2.452 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086120035 535866716 /nfs/dbraw/zinc/86/67/16/535866716.db2.gz VPGLVUGQRVUKBY-KRWDZBQOSA-N 2 2 291.414 2.465 10 0 CEAELP c1c2[nH]c(C3CC[NH2+]CC3)[nH+]c2cc2c1OCCCO2 ZINC000034939124 361799173 /nfs/dbraw/zinc/79/91/73/361799173.db2.gz CAQWLQMFOQLUSS-UHFFFAOYSA-N 2 2 273.336 2.191 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@H+](CCC(C)C)C1CC1 ZINC000096845338 185117253 /nfs/dbraw/zinc/11/72/53/185117253.db2.gz ZHRGXLCIFVFPCI-CQSZACIVSA-N 2 2 256.434 2.248 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@@H+](CCC(C)C)C1CC1 ZINC000096845338 185117255 /nfs/dbraw/zinc/11/72/55/185117255.db2.gz ZHRGXLCIFVFPCI-CQSZACIVSA-N 2 2 256.434 2.248 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000096889345 185123638 /nfs/dbraw/zinc/12/36/38/185123638.db2.gz KGUPCEVGPWVSDD-GFCCVEGCSA-N 2 2 258.369 2.137 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000096889345 185123639 /nfs/dbraw/zinc/12/36/39/185123639.db2.gz KGUPCEVGPWVSDD-GFCCVEGCSA-N 2 2 258.369 2.137 10 0 CEAELP c1ccc(C[N@@H+]2CCC[C@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949201 185138075 /nfs/dbraw/zinc/13/80/75/185138075.db2.gz LIMWAGPWMSNAHQ-OAHLLOKOSA-N 2 2 262.422 2.358 10 0 CEAELP c1ccc(C[N@H+]2CCC[C@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949201 185138077 /nfs/dbraw/zinc/13/80/77/185138077.db2.gz LIMWAGPWMSNAHQ-OAHLLOKOSA-N 2 2 262.422 2.358 10 0 CEAELP C[C@H](c1cccs1)n1c[nH+]cc1[C@H]1C[NH2+]CCO1 ZINC000097014800 185152006 /nfs/dbraw/zinc/15/20/06/185152006.db2.gz MOQRRDQPWNDSGO-ZYHUDNBSSA-N 2 2 263.366 2.215 10 0 CEAELP COC[C@@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000131700731 539263237 /nfs/dbraw/zinc/26/32/37/539263237.db2.gz QTSHDUAPGOWDKL-DZGCQCFKSA-N 2 2 250.386 2.161 10 0 CEAELP CC(C)c1nnc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000328635554 344757175 /nfs/dbraw/zinc/75/71/75/344757175.db2.gz NKIWWDHVQNJOMF-GFCCVEGCSA-N 2 2 289.383 2.084 10 0 CEAELP CC(C)c1nnc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000328635554 344757177 /nfs/dbraw/zinc/75/71/77/344757177.db2.gz NKIWWDHVQNJOMF-GFCCVEGCSA-N 2 2 289.383 2.084 10 0 CEAELP c1[nH+]c2ccccn2c1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328633518 344757592 /nfs/dbraw/zinc/75/75/92/344757592.db2.gz MCXVEPNRSGHMHK-ZDUSSCGKSA-N 2 2 270.380 2.051 10 0 CEAELP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127392915 187302480 /nfs/dbraw/zinc/30/24/80/187302480.db2.gz MTZHQEFBUMZDQH-IAGOWNOFSA-N 2 2 276.424 2.054 10 0 CEAELP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127392915 187302482 /nfs/dbraw/zinc/30/24/82/187302482.db2.gz MTZHQEFBUMZDQH-IAGOWNOFSA-N 2 2 276.424 2.054 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000085384922 179046519 /nfs/dbraw/zinc/04/65/19/179046519.db2.gz FRADEZBLFWEWKE-XQQFMLRXSA-N 2 2 251.374 2.065 10 0 CEAELP CCOCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468301 179073600 /nfs/dbraw/zinc/07/36/00/179073600.db2.gz MHRYBSLFZNTZTK-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCOCC[N@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468301 179073603 /nfs/dbraw/zinc/07/36/03/179073603.db2.gz MHRYBSLFZNTZTK-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(CC)CN1CCCn1cc[nH+]c1 ZINC000085494465 179081899 /nfs/dbraw/zinc/08/18/99/179081899.db2.gz TVZQJTGKADJFBP-LSDHHAIUSA-N 2 2 264.417 2.126 10 0 CEAELP CCC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085511468 179085283 /nfs/dbraw/zinc/08/52/83/179085283.db2.gz GXIGKLQKPVPWTQ-IRXDYDNUSA-N 2 2 290.455 2.434 10 0 CEAELP C[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085509636 179085534 /nfs/dbraw/zinc/08/55/34/179085534.db2.gz VWBQNEJCRONINN-SUMWQHHRSA-N 2 2 284.407 2.297 10 0 CEAELP CCC1(CC)C[NH2+][C@@](C)(CC)C[N@@H+]1[C@@H]1CCOC1 ZINC000085496996 179083749 /nfs/dbraw/zinc/08/37/49/179083749.db2.gz WRNWQLKPLIPWPS-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC1(CC)C[NH2+][C@@](C)(CC)C[N@H+]1[C@@H]1CCOC1 ZINC000085496996 179083751 /nfs/dbraw/zinc/08/37/51/179083751.db2.gz WRNWQLKPLIPWPS-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP c1cn(CCCCn2c3c(nc2C2CC2)C[NH2+]CC3)c[nH+]1 ZINC000085573039 179097994 /nfs/dbraw/zinc/09/79/94/179097994.db2.gz BMLVUUWCXZTSEW-UHFFFAOYSA-N 2 2 285.395 2.083 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528838 179090878 /nfs/dbraw/zinc/09/08/78/179090878.db2.gz KLUWOXAHOMBYGG-INIZCTEOSA-N 2 2 290.455 2.434 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624691 179106655 /nfs/dbraw/zinc/10/66/55/179106655.db2.gz YFOFXWRBNIHCCA-MELADBBJSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCOC1 ZINC000085624691 179106656 /nfs/dbraw/zinc/10/66/56/179106656.db2.gz YFOFXWRBNIHCCA-MELADBBJSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614845 179103622 /nfs/dbraw/zinc/10/36/22/179103622.db2.gz ZRSBQFLXICFRHG-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614845 179103624 /nfs/dbraw/zinc/10/36/24/179103624.db2.gz ZRSBQFLXICFRHG-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP CC(C)[C@@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CC[NH2+]1 ZINC000085618519 179104368 /nfs/dbraw/zinc/10/43/68/179104368.db2.gz ISJJGZNOKUUMNZ-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](CC2CCOCC2)[C@@H](C)CC[NH2+]1 ZINC000085618519 179104369 /nfs/dbraw/zinc/10/43/69/179104369.db2.gz ISJJGZNOKUUMNZ-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP Cn1cc(C[N@@H+]2CCC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000085615835 179104484 /nfs/dbraw/zinc/10/44/84/179104484.db2.gz OGYVSVXRIUIECD-KRWDZBQOSA-N 2 2 284.407 2.131 10 0 CEAELP Cn1cc(C[N@H+]2CCC[NH2+][C@](C)(c3ccccc3)C2)cn1 ZINC000085615835 179104486 /nfs/dbraw/zinc/10/44/86/179104486.db2.gz OGYVSVXRIUIECD-KRWDZBQOSA-N 2 2 284.407 2.131 10 0 CEAELP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085623550 179105317 /nfs/dbraw/zinc/10/53/17/179105317.db2.gz HPAURNDOPBTQNW-AAEUAGOBSA-N 2 2 294.361 2.418 10 0 CEAELP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085623550 179105318 /nfs/dbraw/zinc/10/53/18/179105318.db2.gz HPAURNDOPBTQNW-AAEUAGOBSA-N 2 2 294.361 2.418 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](c2ccccc2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621602 179105518 /nfs/dbraw/zinc/10/55/18/179105518.db2.gz VPAXWWWYBPROPD-PBHICJAKSA-N 2 2 284.407 2.345 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](c2ccccc2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621602 179105520 /nfs/dbraw/zinc/10/55/20/179105520.db2.gz VPAXWWWYBPROPD-PBHICJAKSA-N 2 2 284.407 2.345 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635109 179109301 /nfs/dbraw/zinc/10/93/01/179109301.db2.gz GAZGCZJUZIMFOE-QPSCCSFWSA-N 2 2 268.445 2.366 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336808581 365845031 /nfs/dbraw/zinc/84/50/31/365845031.db2.gz CJEJFIZRLQPHQS-GOEBONIOSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336808581 365845038 /nfs/dbraw/zinc/84/50/38/365845038.db2.gz CJEJFIZRLQPHQS-GOEBONIOSA-N 2 2 262.397 2.494 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[NH+]1CCC(CCC)CC1 ZINC000085922637 179201501 /nfs/dbraw/zinc/20/15/01/179201501.db2.gz WMUOPYQKMJJEKA-HNNXBMFYSA-N 2 2 256.434 2.249 10 0 CEAELP CC(C)[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173674 179244308 /nfs/dbraw/zinc/24/43/08/179244308.db2.gz PXNABJGOBWOLQW-IAGOWNOFSA-N 2 2 281.488 2.283 10 0 CEAELP CC[C@H]1CN(Cc2[nH+]ccn2C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086264894 179261075 /nfs/dbraw/zinc/26/10/75/179261075.db2.gz DRHJSAZQEGICJG-HOTGVXAUSA-N 2 2 284.407 2.345 10 0 CEAELP CCC[C@H](COC)[N@@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086267542 179262496 /nfs/dbraw/zinc/26/24/96/179262496.db2.gz QHULNFGSKLXZQH-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@H](COC)[N@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086267542 179262497 /nfs/dbraw/zinc/26/24/97/179262497.db2.gz QHULNFGSKLXZQH-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1CC1CC[NH+](C)CC1 ZINC000086258974 179256845 /nfs/dbraw/zinc/25/68/45/179256845.db2.gz JQOWBEIKTRDVAT-YJBOKZPZSA-N 2 2 287.451 2.363 10 0 CEAELP CCC1(CC)C[N@H+](Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000086295536 179267612 /nfs/dbraw/zinc/26/76/12/179267612.db2.gz BBXALOBTSIPLLA-UHFFFAOYSA-N 2 2 262.401 2.139 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000086295536 179267615 /nfs/dbraw/zinc/26/76/15/179267615.db2.gz BBXALOBTSIPLLA-UHFFFAOYSA-N 2 2 262.401 2.139 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000086486090 179301808 /nfs/dbraw/zinc/30/18/08/179301808.db2.gz UYINUMHHTIZLEO-LLVKDONJSA-N 2 2 280.169 2.425 10 0 CEAELP C[C@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000086629273 179313448 /nfs/dbraw/zinc/31/34/48/179313448.db2.gz NIFTVVQZNAGQGR-STQMWFEESA-N 2 2 259.353 2.151 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000086818552 179347656 /nfs/dbraw/zinc/34/76/56/179347656.db2.gz UHSUOMREOKNIMP-GJZGRUSLSA-N 3 2 278.444 2.372 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000086818552 179347657 /nfs/dbraw/zinc/34/76/57/179347657.db2.gz UHSUOMREOKNIMP-GJZGRUSLSA-N 3 2 278.444 2.372 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840340 179352111 /nfs/dbraw/zinc/35/21/11/179352111.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 3 2 265.445 2.077 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840340 179352112 /nfs/dbraw/zinc/35/21/12/179352112.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 3 2 265.445 2.077 10 0 CEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)on1 ZINC000086843566 179352427 /nfs/dbraw/zinc/35/24/27/179352427.db2.gz CONCJZBVRIRATD-CYBMUJFWSA-N 2 2 251.374 2.336 10 0 CEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)on1 ZINC000086843566 179352429 /nfs/dbraw/zinc/35/24/29/179352429.db2.gz CONCJZBVRIRATD-CYBMUJFWSA-N 2 2 251.374 2.336 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842817 179353960 /nfs/dbraw/zinc/35/39/60/179353960.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842817 179353961 /nfs/dbraw/zinc/35/39/61/179353961.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH2+][C@@]1(c2nccs2)CCC[N@H+](CC)CC1 ZINC000086851473 179359986 /nfs/dbraw/zinc/35/99/86/179359986.db2.gz WKUAASSJSXVSHB-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CC[NH2+][C@@]1(c2nccs2)CCC[N@@H+](CC)CC1 ZINC000086851473 179359988 /nfs/dbraw/zinc/35/99/88/179359988.db2.gz WKUAASSJSXVSHB-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851388 179359282 /nfs/dbraw/zinc/35/92/82/179359282.db2.gz AEDPJNQWRJDSOB-CYBMUJFWSA-N 2 2 253.415 2.372 10 0 CEAELP CC[N@H+]1CCC[C@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851388 179359283 /nfs/dbraw/zinc/35/92/83/179359283.db2.gz AEDPJNQWRJDSOB-CYBMUJFWSA-N 2 2 253.415 2.372 10 0 CEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890382 179366199 /nfs/dbraw/zinc/36/61/99/179366199.db2.gz MFLGRBFCQNMDJT-APIJFGDWSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890382 179366200 /nfs/dbraw/zinc/36/62/00/179366200.db2.gz MFLGRBFCQNMDJT-APIJFGDWSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@@H]1C[C@@](C[NH3+])([N@H+](C)Cc2cccs2)CS1 ZINC000086936652 179367968 /nfs/dbraw/zinc/36/79/68/179367968.db2.gz VULDOCJGQNWHPW-PWSUYJOCSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@@H]1C[C@@](C[NH3+])([N@@H+](C)Cc2cccs2)CS1 ZINC000086936652 179367969 /nfs/dbraw/zinc/36/79/69/179367969.db2.gz VULDOCJGQNWHPW-PWSUYJOCSA-N 2 2 256.440 2.403 10 0 CEAELP C[NH2+]CCc1cn(Cc2ccc(Cl)s2)c[nH+]1 ZINC000087016727 179380544 /nfs/dbraw/zinc/38/05/44/179380544.db2.gz BPKLFIVNOFZHRQ-UHFFFAOYSA-N 2 2 255.774 2.408 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2c[nH]c[nH+]2)CC1 ZINC000087543010 179442971 /nfs/dbraw/zinc/44/29/71/179442971.db2.gz HBJZDVHPHBEDGD-CYBMUJFWSA-N 3 2 264.417 2.052 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2c[nH+]c[nH]2)CC1 ZINC000087543010 179442973 /nfs/dbraw/zinc/44/29/73/179442973.db2.gz HBJZDVHPHBEDGD-CYBMUJFWSA-N 3 2 264.417 2.052 10 0 CEAELP Nc1cc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000616651474 348548518 /nfs/dbraw/zinc/54/85/18/348548518.db2.gz AVEFLFJYMIAYNC-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1cc([C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000616651474 348548520 /nfs/dbraw/zinc/54/85/20/348548520.db2.gz AVEFLFJYMIAYNC-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3ncccc32)C1 ZINC000616609258 348533467 /nfs/dbraw/zinc/53/34/67/348533467.db2.gz OBWCDRXRNBRVTL-CYBMUJFWSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3ncccc32)C1 ZINC000616609258 348533470 /nfs/dbraw/zinc/53/34/70/348533470.db2.gz OBWCDRXRNBRVTL-CYBMUJFWSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2ccnnc21 ZINC000616614440 348534912 /nfs/dbraw/zinc/53/49/12/348534912.db2.gz GAXXCLITAZUFPQ-CQSZACIVSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2ccnnc21 ZINC000616614440 348534915 /nfs/dbraw/zinc/53/49/15/348534915.db2.gz GAXXCLITAZUFPQ-CQSZACIVSA-N 2 2 256.353 2.116 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](Cc1ccco1)C1CC1 ZINC000090566584 180006428 /nfs/dbraw/zinc/00/64/28/180006428.db2.gz VYNUOFQODDOKKG-CZUORRHYSA-N 2 2 278.396 2.259 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](Cc1ccco1)C1CC1 ZINC000090566584 180006429 /nfs/dbraw/zinc/00/64/29/180006429.db2.gz VYNUOFQODDOKKG-CZUORRHYSA-N 2 2 278.396 2.259 10 0 CEAELP C[N@H+](Cc1ccccc1Cl)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606672 180011231 /nfs/dbraw/zinc/01/12/31/180011231.db2.gz XWRFRKFJAUDOPA-KBPBESRZSA-N 2 2 268.788 2.136 10 0 CEAELP C[N@@H+](Cc1ccccc1Cl)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606672 180011232 /nfs/dbraw/zinc/01/12/32/180011232.db2.gz XWRFRKFJAUDOPA-KBPBESRZSA-N 2 2 268.788 2.136 10 0 CEAELP COC(C[C@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1)OC ZINC000090625317 180015566 /nfs/dbraw/zinc/01/55/66/180015566.db2.gz CBEFZTUVPGUVBN-CQSZACIVSA-N 2 2 284.444 2.369 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](Cn1cc[nH+]c1C[C@H](C)[NH3+])O2 ZINC000090901596 180059055 /nfs/dbraw/zinc/05/90/55/180059055.db2.gz PIGCAOASTNFGED-JSGCOSHPSA-N 2 2 271.364 2.085 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901954 180059921 /nfs/dbraw/zinc/05/99/21/180059921.db2.gz OKVCFGPPBSRCNQ-HNNXBMFYSA-N 2 2 271.364 2.223 10 0 CEAELP C[NH2+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907471 180062372 /nfs/dbraw/zinc/06/23/72/180062372.db2.gz UGZSODIJIBLPST-OWCLPIDISA-N 2 2 260.381 2.200 10 0 CEAELP C[NH2+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907471 180062374 /nfs/dbraw/zinc/06/23/74/180062374.db2.gz UGZSODIJIBLPST-OWCLPIDISA-N 2 2 260.381 2.200 10 0 CEAELP C[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC(C)CC1 ZINC000090907558 180062383 /nfs/dbraw/zinc/06/23/83/180062383.db2.gz YOZYLYDANCIDPG-IRHLINNNSA-N 2 2 266.429 2.266 10 0 CEAELP C[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC(C)CC1 ZINC000090907558 180062385 /nfs/dbraw/zinc/06/23/85/180062385.db2.gz YOZYLYDANCIDPG-IRHLINNNSA-N 2 2 266.429 2.266 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017515 180086823 /nfs/dbraw/zinc/08/68/23/180086823.db2.gz BEUGVEPYUHBELC-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017515 180086825 /nfs/dbraw/zinc/08/68/25/180086825.db2.gz BEUGVEPYUHBELC-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CC(C)[NH2+]Cc1cn(CCn2cc[nH+]c2)c2ncccc12 ZINC000091020540 180087708 /nfs/dbraw/zinc/08/77/08/180087708.db2.gz CXXUUBJSKXPXOL-UHFFFAOYSA-N 2 2 283.379 2.431 10 0 CEAELP FC(F)(F)S[C@@H]1CC[N@H+](Cn2cc[nH+]c2)C1 ZINC000091252740 180114552 /nfs/dbraw/zinc/11/45/52/180114552.db2.gz PEKBNRLCPOYZDQ-MRVPVSSYSA-N 2 2 251.277 2.168 10 0 CEAELP FC(F)(F)S[C@@H]1CC[N@@H+](Cn2cc[nH+]c2)C1 ZINC000091252740 180114553 /nfs/dbraw/zinc/11/45/53/180114553.db2.gz PEKBNRLCPOYZDQ-MRVPVSSYSA-N 2 2 251.277 2.168 10 0 CEAELP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235370878 539767051 /nfs/dbraw/zinc/76/70/51/539767051.db2.gz ARAWXSSYAYHBMF-MFKMUULPSA-N 2 2 254.374 2.197 10 0 CEAELP C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235370878 539767056 /nfs/dbraw/zinc/76/70/56/539767056.db2.gz ARAWXSSYAYHBMF-MFKMUULPSA-N 2 2 254.374 2.197 10 0 CEAELP Cc1ccc(C[N@@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320805 180133885 /nfs/dbraw/zinc/13/38/85/180133885.db2.gz WCVJYPPLJPKQBR-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1ccc(C[N@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320805 180133887 /nfs/dbraw/zinc/13/38/87/180133887.db2.gz WCVJYPPLJPKQBR-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP COCCC[N@H+](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362781 180141550 /nfs/dbraw/zinc/14/15/50/180141550.db2.gz WCGQKGDNNRHQEK-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP COCCC[N@@H+](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362781 180141552 /nfs/dbraw/zinc/14/15/52/180141552.db2.gz WCGQKGDNNRHQEK-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP CN([C@@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CCCCC1 ZINC000091276167 180118436 /nfs/dbraw/zinc/11/84/36/180118436.db2.gz MCUUKHQBMNOLEE-AWEZNQCLSA-N 2 2 262.401 2.482 10 0 CEAELP CC(C)(C)N1CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275637 180118925 /nfs/dbraw/zinc/11/89/25/180118925.db2.gz HZNAHPKIVOYTEB-GXTWGEPZSA-N 2 2 262.401 2.481 10 0 CEAELP CC[C@@H]1CCCCN1[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276219 180120521 /nfs/dbraw/zinc/12/05/21/180120521.db2.gz RVONEDITMSSFNN-OCCSQVGLSA-N 2 2 262.401 2.482 10 0 CEAELP c1cc2c(s1)CC[N@@H+](CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291955 180123003 /nfs/dbraw/zinc/12/30/03/180123003.db2.gz HOBDFIVICLSYNF-LBPRGKRZSA-N 2 2 268.451 2.201 10 0 CEAELP c1cc2c(s1)CC[N@H+](CC[C@H]1CSCC[NH2+]1)C2 ZINC000091291955 180123006 /nfs/dbraw/zinc/12/30/06/180123006.db2.gz HOBDFIVICLSYNF-LBPRGKRZSA-N 2 2 268.451 2.201 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)C(=O)Cc1ccc[nH+]c1N ZINC000091572599 180196171 /nfs/dbraw/zinc/19/61/71/180196171.db2.gz QRCFUFXYIZCOTO-OAHLLOKOSA-N 2 2 263.385 2.286 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607166 180204438 /nfs/dbraw/zinc/20/44/38/180204438.db2.gz UNOGKRILMUSESH-NVXWUHKLSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@](C)([C@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091608486 180205305 /nfs/dbraw/zinc/20/53/05/180205305.db2.gz MGIFBLUHULQLPM-GDBMZVCRSA-N 2 2 277.412 2.222 10 0 CEAELP CC[C@](C)([C@@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091608488 180205621 /nfs/dbraw/zinc/20/56/21/180205621.db2.gz MGIFBLUHULQLPM-GOEBONIOSA-N 2 2 277.412 2.222 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@@](C)(O)C[NH3+])n2C(C)C ZINC000091522012 180178353 /nfs/dbraw/zinc/17/83/53/180178353.db2.gz CZPGDMOONNELRC-OAHLLOKOSA-N 2 2 261.369 2.178 10 0 CEAELP CC[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)[NH+](C)C ZINC000091529086 180180774 /nfs/dbraw/zinc/18/07/74/180180774.db2.gz KSFFTLIYDKXPCT-LBPRGKRZSA-N 2 2 255.431 2.312 10 0 CEAELP CCN(CC)C1([C@H](Cc2cc[nH+]c(N)c2)[NH2+]C)CCCC1 ZINC000091639437 180211953 /nfs/dbraw/zinc/21/19/53/180211953.db2.gz XFQSZAJKHMDYTR-HNNXBMFYSA-N 2 2 290.455 2.449 10 0 CEAELP [NH3+][C@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641832 180212986 /nfs/dbraw/zinc/21/29/86/180212986.db2.gz DLISJRKMHDDZHO-ZIAGYGMSSA-N 2 2 252.402 2.149 10 0 CEAELP Nc1cc[nH+]cc1C[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641861 180213298 /nfs/dbraw/zinc/21/32/98/180213298.db2.gz AEJOAHGPUSFIAL-INIZCTEOSA-N 2 2 288.439 2.332 10 0 CEAELP Nc1cc[nH+]cc1C[C@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641861 180213299 /nfs/dbraw/zinc/21/32/99/180213299.db2.gz AEJOAHGPUSFIAL-INIZCTEOSA-N 2 2 288.439 2.332 10 0 CEAELP C[NH+](C)C1([C@@H](N)c2c[nH+]ccc2N)CCCCCC1 ZINC000091654146 180217071 /nfs/dbraw/zinc/21/70/71/180217071.db2.gz DVJZGSKOFPLWRT-AWEZNQCLSA-N 2 2 262.401 2.318 10 0 CEAELP C[NH+](C)C1(C(=O)Cc2ccc[nH+]c2N)CCCCCC1 ZINC000091653651 180217283 /nfs/dbraw/zinc/21/72/83/180217283.db2.gz GZXUPOQCKKFZKQ-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662294 180219336 /nfs/dbraw/zinc/21/93/36/180219336.db2.gz ALZTVOLRKGUFSL-RDBSUJKOSA-N 2 2 264.369 2.184 10 0 CEAELP CC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662294 180219338 /nfs/dbraw/zinc/21/93/38/180219338.db2.gz ALZTVOLRKGUFSL-RDBSUJKOSA-N 2 2 264.369 2.184 10 0 CEAELP C[NH2+][C@H](c1cc(C)cc(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720916 180235489 /nfs/dbraw/zinc/23/54/89/180235489.db2.gz XAMZAOYBEHVMOX-BRWVUGGUSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cc(C)cc(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720916 180235492 /nfs/dbraw/zinc/23/54/92/180235492.db2.gz XAMZAOYBEHVMOX-BRWVUGGUSA-N 2 2 274.408 2.427 10 0 CEAELP CCC[NH2+][C@H](c1cncc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722303 180240129 /nfs/dbraw/zinc/24/01/29/180240129.db2.gz HBIMKNOJHSPPFA-BZUAXINKSA-N 2 2 293.386 2.125 10 0 CEAELP CCC[NH2+][C@H](c1cncc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722303 180240135 /nfs/dbraw/zinc/24/01/35/180240135.db2.gz HBIMKNOJHSPPFA-BZUAXINKSA-N 2 2 293.386 2.125 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(F)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054551 180313724 /nfs/dbraw/zinc/31/37/24/180313724.db2.gz GVWLQVFBIIENCZ-TZMCWYRMSA-N 2 2 296.386 2.206 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(F)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054551 180313725 /nfs/dbraw/zinc/31/37/25/180313725.db2.gz GVWLQVFBIIENCZ-TZMCWYRMSA-N 2 2 296.386 2.206 10 0 CEAELP CC[C@H]([NH2+]C)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092054252 180314536 /nfs/dbraw/zinc/31/45/36/180314536.db2.gz DVTNYRQJKJMUNG-CVEARBPZSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@H]([NH2+]C)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054252 180314537 /nfs/dbraw/zinc/31/45/37/180314537.db2.gz DVTNYRQJKJMUNG-CVEARBPZSA-N 2 2 278.396 2.067 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1-c1ccccc1 ZINC000092129186 180329842 /nfs/dbraw/zinc/32/98/42/180329842.db2.gz BZDILXPMAPFPIB-YOEHRIQHSA-N 2 2 285.391 2.431 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092082629 180319783 /nfs/dbraw/zinc/31/97/83/180319783.db2.gz IMGAPXATNOTWMZ-ZOWXZIJZSA-N 2 2 278.396 2.291 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092082629 180319784 /nfs/dbraw/zinc/31/97/84/180319784.db2.gz IMGAPXATNOTWMZ-ZOWXZIJZSA-N 2 2 278.396 2.291 10 0 CEAELP CCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863648 186080456 /nfs/dbraw/zinc/08/04/56/186080456.db2.gz NFEREFXOASZYBT-UHFFFAOYSA-N 2 2 264.417 2.079 10 0 CEAELP CCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863648 186080457 /nfs/dbraw/zinc/08/04/57/186080457.db2.gz NFEREFXOASZYBT-UHFFFAOYSA-N 2 2 264.417 2.079 10 0 CEAELP C[N@H+](CC[NH2+]C[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000092244142 180352073 /nfs/dbraw/zinc/35/20/73/180352073.db2.gz ZLILTOUZARYOQA-AWEZNQCLSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](CC[NH2+]C[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000092244142 180352075 /nfs/dbraw/zinc/35/20/75/180352075.db2.gz ZLILTOUZARYOQA-AWEZNQCLSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092262896 180355034 /nfs/dbraw/zinc/35/50/34/180355034.db2.gz FHTZPEQRYBHPQY-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092262896 180355036 /nfs/dbraw/zinc/35/50/36/180355036.db2.gz FHTZPEQRYBHPQY-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1COc2ccccc21 ZINC000092306327 180359986 /nfs/dbraw/zinc/35/99/86/180359986.db2.gz MOIAXUDKQUKWGG-CHWSQXEVSA-N 2 2 271.364 2.339 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000092342614 180366582 /nfs/dbraw/zinc/36/65/82/180366582.db2.gz LZLSVYPCHCWVFE-HNNXBMFYSA-N 2 2 263.385 2.255 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000092342614 180366584 /nfs/dbraw/zinc/36/65/84/180366584.db2.gz LZLSVYPCHCWVFE-HNNXBMFYSA-N 2 2 263.385 2.255 10 0 CEAELP C[N@@H+](Cc1cccc(Cl)n1)C[C@@H]1CC[NH+](C)C1 ZINC000092366535 180369136 /nfs/dbraw/zinc/36/91/36/180369136.db2.gz KNINNAIEHLICLZ-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1cccc(Cl)n1)C[C@@H]1CC[NH+](C)C1 ZINC000092366535 180369137 /nfs/dbraw/zinc/36/91/37/180369137.db2.gz KNINNAIEHLICLZ-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cccc(Cl)n1)C[C@@H]1CC[N@H+](C)C1 ZINC000092366535 180369139 /nfs/dbraw/zinc/36/91/39/180369139.db2.gz KNINNAIEHLICLZ-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cccc(Cl)n1)C[C@@H]1CC[N@@H+](C)C1 ZINC000092366535 180369140 /nfs/dbraw/zinc/36/91/40/180369140.db2.gz KNINNAIEHLICLZ-LLVKDONJSA-N 2 2 253.777 2.119 10 0 CEAELP CCCNc1cccc(CN2CCC([NH+](C)C)CC2)[nH+]1 ZINC000092368407 180370506 /nfs/dbraw/zinc/37/05/06/180370506.db2.gz AJSHNZPIYQKJCG-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP NNc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369244 180370513 /nfs/dbraw/zinc/37/05/13/180370513.db2.gz QHWPFTCKJVRFJV-QWHCGFSZSA-N 2 2 260.385 2.379 10 0 CEAELP NNc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369244 180370514 /nfs/dbraw/zinc/37/05/14/180370514.db2.gz QHWPFTCKJVRFJV-QWHCGFSZSA-N 2 2 260.385 2.379 10 0 CEAELP CC[N@H+](Cc1cc(Cl)ccn1)C1CC[NH2+]CC1 ZINC000092417087 180381023 /nfs/dbraw/zinc/38/10/23/180381023.db2.gz OLOKFDSASPAUEQ-UHFFFAOYSA-N 2 2 253.777 2.309 10 0 CEAELP CC[N@@H+](Cc1cc(Cl)ccn1)C1CC[NH2+]CC1 ZINC000092417087 180381026 /nfs/dbraw/zinc/38/10/26/180381026.db2.gz OLOKFDSASPAUEQ-UHFFFAOYSA-N 2 2 253.777 2.309 10 0 CEAELP CCC[N@H+](Cc1ccc(O)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938080 186334356 /nfs/dbraw/zinc/33/43/56/186334356.db2.gz BQDYIDZGAQEPGA-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(O)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110938080 186334358 /nfs/dbraw/zinc/33/43/58/186334358.db2.gz BQDYIDZGAQEPGA-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110936622 186335032 /nfs/dbraw/zinc/33/50/32/186335032.db2.gz TULSWJSOFZOGMU-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110936622 186335034 /nfs/dbraw/zinc/33/50/34/186335034.db2.gz TULSWJSOFZOGMU-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP CCCN(Cc1cn2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000110945929 186335193 /nfs/dbraw/zinc/33/51/93/186335193.db2.gz RWAKXOQVDLYMNQ-HNNXBMFYSA-N 2 2 272.396 2.298 10 0 CEAELP CCC[N@H+](C[C@@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946745 186335784 /nfs/dbraw/zinc/33/57/84/186335784.db2.gz CNFUODOMNYFKDE-HUUCEWRRSA-N 2 2 282.428 2.136 10 0 CEAELP CCC[N@@H+](C[C@@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946745 186335785 /nfs/dbraw/zinc/33/57/85/186335785.db2.gz CNFUODOMNYFKDE-HUUCEWRRSA-N 2 2 282.428 2.136 10 0 CEAELP CCCN(CC[NH+](C)C)c1ccc([NH3+])c(OC)c1 ZINC000111054940 186348912 /nfs/dbraw/zinc/34/89/12/186348912.db2.gz BVODXCSUZVYDPZ-UHFFFAOYSA-N 2 2 251.374 2.055 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154645 186360900 /nfs/dbraw/zinc/36/09/00/186360900.db2.gz ZGYDEEDUDOMXNM-DYEKYZERSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154645 186360902 /nfs/dbraw/zinc/36/09/02/186360902.db2.gz ZGYDEEDUDOMXNM-DYEKYZERSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)CC1CCOCC1 ZINC000111156474 186361965 /nfs/dbraw/zinc/36/19/65/186361965.db2.gz OSJBLKZSPIDPPF-BXUZGUMPSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)CC1CCOCC1 ZINC000111156474 186361967 /nfs/dbraw/zinc/36/19/67/186361967.db2.gz OSJBLKZSPIDPPF-BXUZGUMPSA-N 2 2 268.426 2.495 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CC1CCOCC1 ZINC000111156026 186362610 /nfs/dbraw/zinc/36/26/10/186362610.db2.gz NECANTIMDPTNJT-HOTGVXAUSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CC1CCOCC1 ZINC000111156026 186362612 /nfs/dbraw/zinc/36/26/12/186362612.db2.gz NECANTIMDPTNJT-HOTGVXAUSA-N 2 2 277.412 2.218 10 0 CEAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111158486 186362961 /nfs/dbraw/zinc/36/29/61/186362961.db2.gz HDZXUCYULCHWSM-GXTWGEPZSA-N 2 2 266.385 2.200 10 0 CEAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111158486 186362962 /nfs/dbraw/zinc/36/29/62/186362962.db2.gz HDZXUCYULCHWSM-GXTWGEPZSA-N 2 2 266.385 2.200 10 0 CEAELP C[C@@H]1C[NH2+]C[C@H]1c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000111255806 186379351 /nfs/dbraw/zinc/37/93/51/186379351.db2.gz OAMHBSGDXQSVRV-NXEZZACHSA-N 2 2 273.336 2.047 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)COC2 ZINC000111305761 186393944 /nfs/dbraw/zinc/39/39/44/186393944.db2.gz XHDVHWYJFRQGPD-AWEZNQCLSA-N 2 2 257.337 2.333 10 0 CEAELP COc1ccc(-c2nc(N3CC[C@H]([NH3+])C3)c(C)c(C)[nH+]2)cc1 ZINC000070455859 363085352 /nfs/dbraw/zinc/08/53/52/363085352.db2.gz GSYPOHITQCPBMY-AWEZNQCLSA-N 2 2 298.390 2.306 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361126 351711952 /nfs/dbraw/zinc/71/19/52/351711952.db2.gz LUJIYQPEPFHJNW-ZFWWWQNUSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361126 351711956 /nfs/dbraw/zinc/71/19/56/351711956.db2.gz LUJIYQPEPFHJNW-ZFWWWQNUSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@H]1C[N@H+](Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365021 351712901 /nfs/dbraw/zinc/71/29/01/351712901.db2.gz HHILLYGLTTXSSU-HZPDHXFCSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365021 351712902 /nfs/dbraw/zinc/71/29/02/351712902.db2.gz HHILLYGLTTXSSU-HZPDHXFCSA-N 2 2 262.397 2.242 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325318 366639220 /nfs/dbraw/zinc/63/92/20/366639220.db2.gz QTMXPIUBFOVSJS-CJNGLKHVSA-N 2 2 280.387 2.323 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325649 366640063 /nfs/dbraw/zinc/64/00/63/366640063.db2.gz VLCAVSGWBWPFQG-BBRMVZONSA-N 2 2 280.387 2.323 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000178300482 189103841 /nfs/dbraw/zinc/10/38/41/189103841.db2.gz KANMOANOTAQCBY-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000178300482 189103842 /nfs/dbraw/zinc/10/38/42/189103842.db2.gz KANMOANOTAQCBY-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000178328985 189107238 /nfs/dbraw/zinc/10/72/38/189107238.db2.gz OLTIEDXXCDIWRW-IRXDYDNUSA-N 2 2 285.391 2.390 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000178328985 189107239 /nfs/dbraw/zinc/10/72/39/189107239.db2.gz OLTIEDXXCDIWRW-IRXDYDNUSA-N 2 2 285.391 2.390 10 0 CEAELP COc1cc2[nH]c(C3CC[NH2+]CC3)[nH+]c2cc1OC ZINC000011567879 361359881 /nfs/dbraw/zinc/35/98/81/361359881.db2.gz LVPZOPZNZQAYOK-UHFFFAOYSA-N 2 2 261.325 2.047 10 0 CEAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000245874149 370882192 /nfs/dbraw/zinc/88/21/92/370882192.db2.gz LXOTVEZEZVELPZ-KFWWJZLASA-N 2 2 291.395 2.079 10 0 CEAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000245874149 370882202 /nfs/dbraw/zinc/88/22/02/370882202.db2.gz LXOTVEZEZVELPZ-KFWWJZLASA-N 2 2 291.395 2.079 10 0 CEAELP CCOC(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)OCC ZINC000184973133 368732972 /nfs/dbraw/zinc/73/29/72/368732972.db2.gz RSVRGGCHAJNJTA-CQSZACIVSA-N 2 2 293.411 2.215 10 0 CEAELP CCOC(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)OCC ZINC000184973133 368732975 /nfs/dbraw/zinc/73/29/75/368732975.db2.gz RSVRGGCHAJNJTA-CQSZACIVSA-N 2 2 293.411 2.215 10 0 CEAELP Cn1cccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474555 369627942 /nfs/dbraw/zinc/62/79/42/369627942.db2.gz GFENJIPHSGCBTA-KRWDZBQOSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474555 369627945 /nfs/dbraw/zinc/62/79/45/369627945.db2.gz GFENJIPHSGCBTA-KRWDZBQOSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190474555 369627949 /nfs/dbraw/zinc/62/79/49/369627949.db2.gz GFENJIPHSGCBTA-KRWDZBQOSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190474555 369627954 /nfs/dbraw/zinc/62/79/54/369627954.db2.gz GFENJIPHSGCBTA-KRWDZBQOSA-N 2 2 298.434 2.374 10 0 CEAELP CCN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000231670052 370485062 /nfs/dbraw/zinc/48/50/62/370485062.db2.gz ZBTRGFLWWAVPTR-HNNXBMFYSA-N 2 2 295.471 2.242 10 0 CEAELP CCN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000231670052 370485068 /nfs/dbraw/zinc/48/50/68/370485068.db2.gz ZBTRGFLWWAVPTR-HNNXBMFYSA-N 2 2 295.471 2.242 10 0 CEAELP CCc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231668415 370485876 /nfs/dbraw/zinc/48/58/76/370485876.db2.gz CRYZWEAKWMEHOH-INIZCTEOSA-N 2 2 289.423 2.261 10 0 CEAELP CCc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231668415 370485883 /nfs/dbraw/zinc/48/58/83/370485883.db2.gz CRYZWEAKWMEHOH-INIZCTEOSA-N 2 2 289.423 2.261 10 0 CEAELP CCN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000231670047 370486231 /nfs/dbraw/zinc/48/62/31/370486231.db2.gz ZBTRGFLWWAVPTR-OAHLLOKOSA-N 2 2 295.471 2.242 10 0 CEAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000231670047 370486233 /nfs/dbraw/zinc/48/62/33/370486233.db2.gz ZBTRGFLWWAVPTR-OAHLLOKOSA-N 2 2 295.471 2.242 10 0 CEAELP COC[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249983709 371374601 /nfs/dbraw/zinc/37/46/01/371374601.db2.gz YVXCKWJKZBNVLI-KBPBESRZSA-N 2 2 263.385 2.098 10 0 CEAELP COC[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249983709 371374604 /nfs/dbraw/zinc/37/46/04/371374604.db2.gz YVXCKWJKZBNVLI-KBPBESRZSA-N 2 2 263.385 2.098 10 0 CEAELP Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261631800 371685233 /nfs/dbraw/zinc/68/52/33/371685233.db2.gz FAUIYVRQIUEJEJ-AWEZNQCLSA-N 2 2 286.379 2.044 10 0 CEAELP Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261631800 371685242 /nfs/dbraw/zinc/68/52/42/371685242.db2.gz FAUIYVRQIUEJEJ-AWEZNQCLSA-N 2 2 286.379 2.044 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695773 371703689 /nfs/dbraw/zinc/70/36/89/371703689.db2.gz BIKQNICHZZKCAU-GOEBONIOSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695773 371703693 /nfs/dbraw/zinc/70/36/93/371703693.db2.gz BIKQNICHZZKCAU-GOEBONIOSA-N 3 2 276.428 2.082 10 0 CEAELP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262013125 371799051 /nfs/dbraw/zinc/79/90/51/371799051.db2.gz VRPRWMIGNGJUGR-IMJJTQAJSA-N 2 2 296.361 2.212 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090529 371821979 /nfs/dbraw/zinc/82/19/79/371821979.db2.gz USWLHFOVEYPWRN-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090529 371821984 /nfs/dbraw/zinc/82/19/84/371821984.db2.gz USWLHFOVEYPWRN-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000262644741 371891668 /nfs/dbraw/zinc/89/16/68/371891668.db2.gz MXCGVKGNHJKMTD-VXGBXAGGSA-N 2 2 270.336 2.143 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156380 375298043 /nfs/dbraw/zinc/29/80/43/375298043.db2.gz KTWGBRVMTCVRAX-BPQIPLTHSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156380 375298047 /nfs/dbraw/zinc/29/80/47/375298047.db2.gz KTWGBRVMTCVRAX-BPQIPLTHSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000389156380 375298051 /nfs/dbraw/zinc/29/80/51/375298051.db2.gz KTWGBRVMTCVRAX-BPQIPLTHSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000389156380 375298055 /nfs/dbraw/zinc/29/80/55/375298055.db2.gz KTWGBRVMTCVRAX-BPQIPLTHSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000389300349 375301437 /nfs/dbraw/zinc/30/14/37/375301437.db2.gz ZLKGFSJYQXYJJU-CYBMUJFWSA-N 2 2 274.368 2.162 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000389300349 375301443 /nfs/dbraw/zinc/30/14/43/375301443.db2.gz ZLKGFSJYQXYJJU-CYBMUJFWSA-N 2 2 274.368 2.162 10 0 CEAELP Cc1nc(NCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000266344467 190250673 /nfs/dbraw/zinc/25/06/73/190250673.db2.gz IQIANCLHNOFFJL-UHFFFAOYSA-N 2 2 256.353 2.329 10 0 CEAELP Cc1nc(NCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC000266344467 190250674 /nfs/dbraw/zinc/25/06/74/190250674.db2.gz IQIANCLHNOFFJL-UHFFFAOYSA-N 2 2 256.353 2.329 10 0 CEAELP CCn1cc[nH+]c1C[C@@H](Cc1ccc(F)cc1)[NH2+]C ZINC000094145222 184756604 /nfs/dbraw/zinc/75/66/04/184756604.db2.gz WQFSKANUTGLRRH-CQSZACIVSA-N 2 2 261.344 2.415 10 0 CEAELP Cn1cc(C[N@H+](C)[C@@]2(C[NH3+])CCCCC2(C)C)cn1 ZINC000094280686 184775071 /nfs/dbraw/zinc/77/50/71/184775071.db2.gz PBCBKVMFJJYXNU-OAHLLOKOSA-N 2 2 264.417 2.150 10 0 CEAELP Cn1cc(C[N@@H+](C)[C@@]2(C[NH3+])CCCCC2(C)C)cn1 ZINC000094280686 184775072 /nfs/dbraw/zinc/77/50/72/184775072.db2.gz PBCBKVMFJJYXNU-OAHLLOKOSA-N 2 2 264.417 2.150 10 0 CEAELP Cc1cc[nH+]cc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086149238 135039449 /nfs/dbraw/zinc/03/94/49/135039449.db2.gz HZQJIAFMTBSEEJ-MRXNPFEDSA-N 2 2 267.376 2.411 10 0 CEAELP C[C@@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086676386 135048512 /nfs/dbraw/zinc/04/85/12/135048512.db2.gz TZJHAZKQNNNIDU-RHSMWYFYSA-N 2 2 291.414 2.465 10 0 CEAELP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089140365 135058427 /nfs/dbraw/zinc/05/84/27/135058427.db2.gz RGCMZWYDBVXJPW-YOEHRIQHSA-N 2 2 289.423 2.453 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000123383978 394827020 /nfs/dbraw/zinc/82/70/20/394827020.db2.gz BJWFUXLCBLJESL-AWEZNQCLSA-N 2 2 259.328 2.297 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000123383978 394827023 /nfs/dbraw/zinc/82/70/23/394827023.db2.gz BJWFUXLCBLJESL-AWEZNQCLSA-N 2 2 259.328 2.297 10 0 CEAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384427462 395193849 /nfs/dbraw/zinc/19/38/49/395193849.db2.gz DMLSVNXABDJBNF-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384427462 395193853 /nfs/dbraw/zinc/19/38/53/395193853.db2.gz DMLSVNXABDJBNF-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000195422326 395466242 /nfs/dbraw/zinc/46/62/42/395466242.db2.gz JHSKMEOJHSOGBN-YCPHGPKFSA-N 2 2 292.423 2.339 10 0 CEAELP C[N@@H+](Cc1ccc(Br)cn1)C[C@@H]1CC[NH+](C)C1 ZINC000168413991 162366010 /nfs/dbraw/zinc/36/60/10/162366010.db2.gz QVPSKNAVCZMTDW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[N@H+](Cc1ccc(Br)cn1)C[C@@H]1CC[NH+](C)C1 ZINC000168413991 162366013 /nfs/dbraw/zinc/36/60/13/162366013.db2.gz QVPSKNAVCZMTDW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1ccc(Br)cn1)C[C@@H]1CC[N@H+](C)C1 ZINC000168413991 162366015 /nfs/dbraw/zinc/36/60/15/162366015.db2.gz QVPSKNAVCZMTDW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1ccc(Br)cn1)C[C@@H]1CC[N@@H+](C)C1 ZINC000168413991 162366017 /nfs/dbraw/zinc/36/60/17/162366017.db2.gz QVPSKNAVCZMTDW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP Cc1cc(C)c(OCC[C@H](C[NH3+])[NH+](C)C)c(C)c1 ZINC000019663869 170834034 /nfs/dbraw/zinc/83/40/34/170834034.db2.gz KHHZEVKTHGDXRO-CQSZACIVSA-N 2 2 250.386 2.270 10 0 CEAELP c1cn(CCC[NH2+][C@@H]2CCOc3ccccc32)c[nH+]1 ZINC000020506130 171228257 /nfs/dbraw/zinc/22/82/57/171228257.db2.gz JTFFZBIBNFMHLS-CQSZACIVSA-N 2 2 257.337 2.387 10 0 CEAELP CC[NH+](CC)[C@H](C[NH3+])c1cc2c(c(Cl)c1)OCO2 ZINC000034962506 171906642 /nfs/dbraw/zinc/90/66/42/171906642.db2.gz PIKXRUGVPCGALQ-LLVKDONJSA-N 2 2 270.760 2.410 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210241 173032692 /nfs/dbraw/zinc/03/26/92/173032692.db2.gz IHWIKYSMECVTHS-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210241 173032694 /nfs/dbraw/zinc/03/26/94/173032694.db2.gz IHWIKYSMECVTHS-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@@H](Cc1cccs1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000037413576 173190273 /nfs/dbraw/zinc/19/02/73/173190273.db2.gz OAGFITLLABWBJI-FZMZJTMJSA-N 2 2 250.411 2.363 10 0 CEAELP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1 ZINC000038042932 174047331 /nfs/dbraw/zinc/04/73/31/174047331.db2.gz ILAOLALKPZLSCT-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cc1 ZINC000038042932 174047333 /nfs/dbraw/zinc/04/73/33/174047333.db2.gz ILAOLALKPZLSCT-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038090928 174104998 /nfs/dbraw/zinc/10/49/98/174104998.db2.gz IHJASVSATQNRAZ-VXGBXAGGSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000038090928 174105000 /nfs/dbraw/zinc/10/50/00/174105000.db2.gz IHJASVSATQNRAZ-VXGBXAGGSA-N 2 2 253.415 2.271 10 0 CEAELP COc1cccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)c1 ZINC000040638719 174362711 /nfs/dbraw/zinc/36/27/11/174362711.db2.gz YBRNRWNUOHXMAK-LBPRGKRZSA-N 2 2 259.353 2.322 10 0 CEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000121060605 414786173 /nfs/dbraw/zinc/78/61/73/414786173.db2.gz VMFSIVHZBISXEX-QGZVFWFLSA-N 2 2 276.424 2.355 10 0 CEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000121060605 414786182 /nfs/dbraw/zinc/78/61/82/414786182.db2.gz VMFSIVHZBISXEX-QGZVFWFLSA-N 2 2 276.424 2.355 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043340473 175014790 /nfs/dbraw/zinc/01/47/90/175014790.db2.gz WUMUFOVNZHYITF-WBVHZDCISA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCCSCC1 ZINC000043347394 175017875 /nfs/dbraw/zinc/01/78/75/175017875.db2.gz JNUUBRYZJLURAG-ZIAGYGMSSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCCSCC1 ZINC000043347394 175017877 /nfs/dbraw/zinc/01/78/77/175017877.db2.gz JNUUBRYZJLURAG-ZIAGYGMSSA-N 2 2 265.426 2.299 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000043353916 175020646 /nfs/dbraw/zinc/02/06/46/175020646.db2.gz PPTDEYGQGTXSEL-HZPDHXFCSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)[C@@H](C)COC ZINC000043364902 175025449 /nfs/dbraw/zinc/02/54/49/175025449.db2.gz CFUHNERCZLZHKN-VHRBIJSZSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)[C@@H](C)COC ZINC000043364902 175025450 /nfs/dbraw/zinc/02/54/50/175025450.db2.gz CFUHNERCZLZHKN-VHRBIJSZSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCCOC)CCOC ZINC000043365046 175026162 /nfs/dbraw/zinc/02/61/62/175026162.db2.gz QZYWNQLVWRWZSP-HOCLYGCPSA-N 2 2 298.427 2.351 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCCOC)CCOC ZINC000043365046 175026164 /nfs/dbraw/zinc/02/61/64/175026164.db2.gz QZYWNQLVWRWZSP-HOCLYGCPSA-N 2 2 298.427 2.351 10 0 CEAELP Cc1ccc([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000043511850 175060663 /nfs/dbraw/zinc/06/06/63/175060663.db2.gz CUZQXHQZVBKCGS-KRWDZBQOSA-N 2 2 276.424 2.363 10 0 CEAELP Cc1ccc([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000043511850 175060664 /nfs/dbraw/zinc/06/06/64/175060664.db2.gz CUZQXHQZVBKCGS-KRWDZBQOSA-N 2 2 276.424 2.363 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811474 175110988 /nfs/dbraw/zinc/11/09/88/175110988.db2.gz CKLANGMEPUZGNY-RMEBNNNOSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811474 175110990 /nfs/dbraw/zinc/11/09/90/175110990.db2.gz CKLANGMEPUZGNY-RMEBNNNOSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812222 175111304 /nfs/dbraw/zinc/11/13/04/175111304.db2.gz VSUDZEXNMLIKSM-LSDHHAIUSA-N 2 2 282.428 2.136 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888211 175117468 /nfs/dbraw/zinc/11/74/68/175117468.db2.gz HJFQQAVGELMTDO-GJZGRUSLSA-N 2 2 284.444 2.238 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888211 175117469 /nfs/dbraw/zinc/11/74/69/175117469.db2.gz HJFQQAVGELMTDO-GJZGRUSLSA-N 2 2 284.444 2.238 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+]2CCOC[C@@H]2CC)C1 ZINC000043898904 175121149 /nfs/dbraw/zinc/12/11/49/175121149.db2.gz GVIKPUSTMXZETP-CBBWQLFWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+]2CCOC[C@@H]2CC)C1 ZINC000043898904 175121151 /nfs/dbraw/zinc/12/11/51/175121151.db2.gz GVIKPUSTMXZETP-CBBWQLFWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898352 175121507 /nfs/dbraw/zinc/12/15/07/175121507.db2.gz OSAJRWUXDROQBR-QEJZJMRPSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898352 175121508 /nfs/dbraw/zinc/12/15/08/175121508.db2.gz OSAJRWUXDROQBR-QEJZJMRPSA-N 2 2 254.418 2.264 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@H+](C)CCOC)cc1 ZINC000043915621 175124808 /nfs/dbraw/zinc/12/48/08/175124808.db2.gz FYFUWXUQQLRHSK-XJKSGUPXSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@H](C)[N@@H+](C)CCOC)cc1 ZINC000043915621 175124810 /nfs/dbraw/zinc/12/48/10/175124810.db2.gz FYFUWXUQQLRHSK-XJKSGUPXSA-N 2 2 264.413 2.476 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000044747468 175242960 /nfs/dbraw/zinc/24/29/60/175242960.db2.gz JPQLSLZRXUYSBI-OAHLLOKOSA-N 2 2 271.364 2.335 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccc(F)cc1 ZINC000045043396 175294820 /nfs/dbraw/zinc/29/48/20/175294820.db2.gz DNJVOFDZALOKKX-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccc(F)cc1 ZINC000045043396 175294821 /nfs/dbraw/zinc/29/48/21/175294821.db2.gz DNJVOFDZALOKKX-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP CC1(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCCCC1 ZINC000045046960 175296175 /nfs/dbraw/zinc/29/61/75/175296175.db2.gz NUGPPOWADBAATQ-HNNXBMFYSA-N 2 2 293.455 2.042 10 0 CEAELP CC1(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCCCC1 ZINC000045046960 175296177 /nfs/dbraw/zinc/29/61/77/175296177.db2.gz NUGPPOWADBAATQ-HNNXBMFYSA-N 2 2 293.455 2.042 10 0 CEAELP CCn1nc(C)c(-c2c[nH]c(CCC[NH2+]C)[nH+]2)c1C ZINC000045169451 175319854 /nfs/dbraw/zinc/31/98/54/175319854.db2.gz LDWNQWXWGJCZKK-UHFFFAOYSA-N 2 2 261.373 2.062 10 0 CEAELP CCCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045368416 175363701 /nfs/dbraw/zinc/36/37/01/175363701.db2.gz LZJMCGNAUPOXRB-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCCC[N@@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045368416 175363703 /nfs/dbraw/zinc/36/37/03/175363703.db2.gz LZJMCGNAUPOXRB-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374984 175365462 /nfs/dbraw/zinc/36/54/62/175365462.db2.gz TZTKSEAGMMKFHG-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045375028 175365553 /nfs/dbraw/zinc/36/55/53/175365553.db2.gz WYUWCTQOMMYUFD-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379890 175369256 /nfs/dbraw/zinc/36/92/56/175369256.db2.gz SCKSYJHAYNJWJX-MRXNPFEDSA-N 2 2 277.412 2.147 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379890 175369257 /nfs/dbraw/zinc/36/92/57/175369257.db2.gz SCKSYJHAYNJWJX-MRXNPFEDSA-N 2 2 277.412 2.147 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1)c1nccn1C ZINC000070444664 175936595 /nfs/dbraw/zinc/93/65/95/175936595.db2.gz IWYQGIVRJJZCNR-AVGNSLFASA-N 2 2 259.357 2.061 10 0 CEAELP CC[N@H+](C[C@@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044820 176029906 /nfs/dbraw/zinc/02/99/06/176029906.db2.gz XPQXIOJAILWPMT-HNNXBMFYSA-N 2 2 262.397 2.360 10 0 CEAELP CC[N@@H+](C[C@@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044820 176029907 /nfs/dbraw/zinc/02/99/07/176029907.db2.gz XPQXIOJAILWPMT-HNNXBMFYSA-N 2 2 262.397 2.360 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000071142625 176040427 /nfs/dbraw/zinc/04/04/27/176040427.db2.gz LGVDPWIOSZOAJK-LLVKDONJSA-N 2 2 254.761 2.087 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000071142625 176040428 /nfs/dbraw/zinc/04/04/28/176040428.db2.gz LGVDPWIOSZOAJK-LLVKDONJSA-N 2 2 254.761 2.087 10 0 CEAELP COc1ccc(CC[N@@H+]2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197902 176076589 /nfs/dbraw/zinc/07/65/89/176076589.db2.gz JDGXNPLFEYVBBC-HNNXBMFYSA-N 2 2 262.397 2.310 10 0 CEAELP COc1ccc(CC[N@H+]2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197902 176076591 /nfs/dbraw/zinc/07/65/91/176076591.db2.gz JDGXNPLFEYVBBC-HNNXBMFYSA-N 2 2 262.397 2.310 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2)C1 ZINC000071200796 176077539 /nfs/dbraw/zinc/07/75/39/176077539.db2.gz QNXUBTPRVGYSIN-OAHLLOKOSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2)C1 ZINC000071200796 176077540 /nfs/dbraw/zinc/07/75/40/176077540.db2.gz QNXUBTPRVGYSIN-OAHLLOKOSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[NH2+][C@@H]1CCCN(CCCCn2cc[nH+]c2)C1 ZINC000071200796 176077541 /nfs/dbraw/zinc/07/75/41/176077541.db2.gz QNXUBTPRVGYSIN-OAHLLOKOSA-N 2 2 264.417 2.126 10 0 CEAELP Cn1cc[nH+]c1CNc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000071276267 176106904 /nfs/dbraw/zinc/10/69/04/176106904.db2.gz IWIRFPJJQMTALA-UHFFFAOYSA-N 2 2 297.387 2.215 10 0 CEAELP CC[C@@]1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H](C(C)C)CN1 ZINC000071356937 176136706 /nfs/dbraw/zinc/13/67/06/176136706.db2.gz XMVAPDPVLKRFIE-HOTGVXAUSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@@]1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H](C(C)C)CN1 ZINC000071356937 176136707 /nfs/dbraw/zinc/13/67/07/176136707.db2.gz XMVAPDPVLKRFIE-HOTGVXAUSA-N 2 2 278.444 2.372 10 0 CEAELP [NH3+][C@@H](CCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000071401976 176154047 /nfs/dbraw/zinc/15/40/47/176154047.db2.gz WFZDMERMEUVDPR-WBVHZDCISA-N 3 2 273.424 2.293 10 0 CEAELP [NH3+][C@@H](CCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000071401976 176154048 /nfs/dbraw/zinc/15/40/48/176154048.db2.gz WFZDMERMEUVDPR-WBVHZDCISA-N 3 2 273.424 2.293 10 0 CEAELP COc1ccc(Cl)cc1Cn1c[nH+]c(CC[NH3+])c1 ZINC000071598198 176222271 /nfs/dbraw/zinc/22/22/71/176222271.db2.gz QOZASMWBHLPBGR-UHFFFAOYSA-N 2 2 265.744 2.095 10 0 CEAELP C[NH2+]CC[N@H+](C)CCc1cccc(Br)c1 ZINC000076409610 177020062 /nfs/dbraw/zinc/02/00/62/177020062.db2.gz YQDCRAPNUJDBSK-UHFFFAOYSA-N 2 2 271.202 2.143 10 0 CEAELP C[NH2+]CC[N@@H+](C)CCc1cccc(Br)c1 ZINC000076409610 177020064 /nfs/dbraw/zinc/02/00/64/177020064.db2.gz YQDCRAPNUJDBSK-UHFFFAOYSA-N 2 2 271.202 2.143 10 0 CEAELP C[C@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000079512493 177510948 /nfs/dbraw/zinc/51/09/48/177510948.db2.gz KOFUBGMEQRVTJC-MRXNPFEDSA-N 2 2 284.363 2.012 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268740575 275070684 /nfs/dbraw/zinc/07/06/84/275070684.db2.gz FWAOQUPBIJLWRR-OAHLLOKOSA-N 2 2 258.365 2.337 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCCC2)C12CCOCC2 ZINC000186230165 276474009 /nfs/dbraw/zinc/47/40/09/276474009.db2.gz VAKVSHNZSWGLCD-HZPDHXFCSA-N 2 2 296.455 2.036 10 0 CEAELP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C[NH3+])n1 ZINC000262259623 277229497 /nfs/dbraw/zinc/22/94/97/277229497.db2.gz QZMSXQFIVNDWLY-GHMZBOCLSA-N 2 2 266.389 2.223 10 0 CEAELP CC(C)OC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000185853383 280127419 /nfs/dbraw/zinc/12/74/19/280127419.db2.gz WDNZEILQFJZZHW-URGYJCLVSA-N 2 2 254.418 2.261 10 0 CEAELP CC(C)OC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000185853383 280127423 /nfs/dbraw/zinc/12/74/23/280127423.db2.gz WDNZEILQFJZZHW-URGYJCLVSA-N 2 2 254.418 2.261 10 0 CEAELP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773776 281373708 /nfs/dbraw/zinc/37/37/08/281373708.db2.gz OWXQMVREUGWJMB-CHWSQXEVSA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773776 281373712 /nfs/dbraw/zinc/37/37/12/281373712.db2.gz OWXQMVREUGWJMB-CHWSQXEVSA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134125619 281382395 /nfs/dbraw/zinc/38/23/95/281382395.db2.gz MRURHTOQLYXYFQ-KKUMJFAQSA-N 2 2 262.397 2.413 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)C1CCOCC1 ZINC000052481086 519744642 /nfs/dbraw/zinc/74/46/42/519744642.db2.gz YCBSVPNSNXKRLB-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)C1CCOCC1 ZINC000052481086 519744643 /nfs/dbraw/zinc/74/46/43/519744643.db2.gz YCBSVPNSNXKRLB-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(NC)nc2)CC1 ZINC000050816463 521564227 /nfs/dbraw/zinc/56/42/27/521564227.db2.gz CFVZWCJJYYGTLS-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(NC)nc2)CC1 ZINC000050816463 521564234 /nfs/dbraw/zinc/56/42/34/521564234.db2.gz CFVZWCJJYYGTLS-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP C[NH2+]CC1(Cc2[nH+]cc(C)c(OC)c2C)CCOCC1 ZINC000061674043 521972552 /nfs/dbraw/zinc/97/25/52/521972552.db2.gz KHKSNTYGQQCHKI-UHFFFAOYSA-N 2 2 278.396 2.266 10 0 CEAELP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000400534027 534024712 /nfs/dbraw/zinc/02/47/12/534024712.db2.gz SNTRSHWNVZYLBG-QWHCGFSZSA-N 2 2 260.385 2.092 10 0 CEAELP CCn1c[nH+]cc1[C@@H](C[NH3+])N(C)Cc1ccccc1C ZINC000090174499 517884220 /nfs/dbraw/zinc/88/42/20/517884220.db2.gz QBCMOOZQRZQBES-OAHLLOKOSA-N 2 2 272.396 2.343 10 0 CEAELP CC(C)(C)[NH2+]Cc1ccoc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371296 518765883 /nfs/dbraw/zinc/76/58/83/518765883.db2.gz LCBYJRHZUHACPI-UHFFFAOYSA-N 2 2 291.439 2.448 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@@H+]2CCOCC2(C)C)CCOCC1 ZINC000052183443 519743047 /nfs/dbraw/zinc/74/30/47/519743047.db2.gz OFKWMBCZUADHEY-UHFFFAOYSA-N 2 2 298.471 2.140 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@H+]2CCOCC2(C)C)CCOCC1 ZINC000052183443 519743048 /nfs/dbraw/zinc/74/30/48/519743048.db2.gz OFKWMBCZUADHEY-UHFFFAOYSA-N 2 2 298.471 2.140 10 0 CEAELP CC[NH2+]C[C@@H](C)c1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000061219405 519944763 /nfs/dbraw/zinc/94/47/63/519944763.db2.gz GSJUEABJFDATOA-SECBINFHSA-N 2 2 263.341 2.293 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000061273798 520062861 /nfs/dbraw/zinc/06/28/61/520062861.db2.gz RMKYMTAGXJKNLJ-HNNXBMFYSA-N 2 2 291.439 2.407 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000061273798 520062865 /nfs/dbraw/zinc/06/28/65/520062865.db2.gz RMKYMTAGXJKNLJ-HNNXBMFYSA-N 2 2 291.439 2.407 10 0 CEAELP CC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)C(=O)OC ZINC000068648643 520143095 /nfs/dbraw/zinc/14/30/95/520143095.db2.gz NZPANKHBPZUHRA-DOMZBBRYSA-N 2 2 281.400 2.499 10 0 CEAELP CCC[C@H]1C[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CCO1 ZINC000070356577 521247038 /nfs/dbraw/zinc/24/70/38/521247038.db2.gz HCIHEIZTMPPTMX-MJBXVCDLSA-N 2 2 251.374 2.209 10 0 CEAELP CCC[N@H+](CCN(C)C)[C@@H](C)CC[NH2+]CC(C)C ZINC000052544303 521657723 /nfs/dbraw/zinc/65/77/23/521657723.db2.gz URPYARIKJQUMTK-HNNXBMFYSA-N 2 2 257.466 2.284 10 0 CEAELP CCC[N@@H+](CCN(C)C)[C@@H](C)CC[NH2+]CC(C)C ZINC000052544303 521657727 /nfs/dbraw/zinc/65/77/27/521657727.db2.gz URPYARIKJQUMTK-HNNXBMFYSA-N 2 2 257.466 2.284 10 0 CEAELP CC[C@H](C)[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068694494 521892293 /nfs/dbraw/zinc/89/22/93/521892293.db2.gz DMMGKEKVDRFZGY-ZFWWWQNUSA-N 2 2 272.396 2.154 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1cc[nH+]c1 ZINC000054602835 521952507 /nfs/dbraw/zinc/95/25/07/521952507.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCn1cc[nH+]c1 ZINC000054602835 521952515 /nfs/dbraw/zinc/95/25/15/521952515.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1ccnc1 ZINC000054602835 521952519 /nfs/dbraw/zinc/95/25/19/521952519.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCn1ccnc1 ZINC000054602835 521952526 /nfs/dbraw/zinc/95/25/26/521952526.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCCn1cc[nH+]c1 ZINC000054602835 521952532 /nfs/dbraw/zinc/95/25/32/521952532.db2.gz WMXDGPTZZNJOGP-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011436 522055853 /nfs/dbraw/zinc/05/58/53/522055853.db2.gz ASQDCCLRMTVOOF-KRWDZBQOSA-N 3 2 287.451 2.192 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011436 522055867 /nfs/dbraw/zinc/05/58/67/522055867.db2.gz ASQDCCLRMTVOOF-KRWDZBQOSA-N 3 2 287.451 2.192 10 0 CEAELP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476009 522099318 /nfs/dbraw/zinc/09/93/18/522099318.db2.gz CSGXILLAMFZBLF-LBPRGKRZSA-N 2 2 274.364 2.373 10 0 CEAELP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCOC[C@@H]1C ZINC000052476009 522099328 /nfs/dbraw/zinc/09/93/28/522099328.db2.gz CSGXILLAMFZBLF-LBPRGKRZSA-N 2 2 274.364 2.373 10 0 CEAELP COC[C@@H](C)[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511282 522219984 /nfs/dbraw/zinc/21/99/84/522219984.db2.gz LFVFTDWWEMIHNU-GFCCVEGCSA-N 2 2 285.457 2.355 10 0 CEAELP COC[C@@H](C)[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511282 522219996 /nfs/dbraw/zinc/21/99/96/522219996.db2.gz LFVFTDWWEMIHNU-GFCCVEGCSA-N 2 2 285.457 2.355 10 0 CEAELP COc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000156177150 522378422 /nfs/dbraw/zinc/37/84/22/522378422.db2.gz DIOHDRKBGIKJHZ-NSHDSACASA-N 2 2 286.322 2.220 10 0 CEAELP COc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1OC(F)F ZINC000156177150 522378434 /nfs/dbraw/zinc/37/84/34/522378434.db2.gz DIOHDRKBGIKJHZ-NSHDSACASA-N 2 2 286.322 2.220 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818334 522656032 /nfs/dbraw/zinc/65/60/32/522656032.db2.gz NRETZMOIWMRXKD-KGLIPLIRSA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@@H]1C[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181692 523438678 /nfs/dbraw/zinc/43/86/78/523438678.db2.gz FVSJPZKILWFIFB-OAHLLOKOSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@@H]1C[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CCO1 ZINC000052181692 523438683 /nfs/dbraw/zinc/43/86/83/523438683.db2.gz FVSJPZKILWFIFB-OAHLLOKOSA-N 2 2 298.471 2.282 10 0 CEAELP C[NH+](C)C1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016029 524040879 /nfs/dbraw/zinc/04/08/79/524040879.db2.gz KLPLGXUEUZSEPK-MRXNPFEDSA-N 3 2 261.413 2.103 10 0 CEAELP C[C@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417354 524194621 /nfs/dbraw/zinc/19/46/21/524194621.db2.gz UTRREPGEJGRCFL-OAHLLOKOSA-N 2 2 273.424 2.339 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638490 524629858 /nfs/dbraw/zinc/62/98/58/524629858.db2.gz GIHKBGUVMLZRAD-CXAGYDPISA-N 2 2 295.471 2.273 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)CC1CCCCC1 ZINC000068638490 524629868 /nfs/dbraw/zinc/62/98/68/524629868.db2.gz GIHKBGUVMLZRAD-CXAGYDPISA-N 2 2 295.471 2.273 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1COc2cc(O)ccc21)C[NH+]1CCCC1 ZINC000062077548 524750568 /nfs/dbraw/zinc/75/05/68/524750568.db2.gz FQMPAIFWBOXXQG-SWLSCSKDSA-N 2 2 276.380 2.147 10 0 CEAELP Cc1cc(N)c[nH+]c1N[C@H](CC(C)C)C[NH+](C)C ZINC000052813191 525041191 /nfs/dbraw/zinc/04/11/91/525041191.db2.gz HFEMYMYRBDPGLR-CYBMUJFWSA-N 2 2 250.390 2.360 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCn3cc[nH+]c3C2)cc1 ZINC000062245613 525981044 /nfs/dbraw/zinc/98/10/44/525981044.db2.gz MNNWWPJFXMJNGY-CJNGLKHVSA-N 2 2 270.380 2.096 10 0 CEAELP c1ccc([C@H]2CC[N@@H+](CC[NH2+]C3CCOCC3)C2)cc1 ZINC000062767727 526497688 /nfs/dbraw/zinc/49/76/88/526497688.db2.gz YYUBHWHXVPDWSJ-INIZCTEOSA-N 2 2 274.408 2.245 10 0 CEAELP c1ccc([C@H]2CC[N@H+](CC[NH2+]C3CCOCC3)C2)cc1 ZINC000062767727 526497692 /nfs/dbraw/zinc/49/76/92/526497692.db2.gz YYUBHWHXVPDWSJ-INIZCTEOSA-N 2 2 274.408 2.245 10 0 CEAELP Cc1oc(C[NH+]2CCN(C)CC2)cc1C[NH2+]C(C)(C)C ZINC000052379317 526771053 /nfs/dbraw/zinc/77/10/53/526771053.db2.gz AKZSPNSGRGTYLI-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP [NH3+]Cc1occc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374712 527269489 /nfs/dbraw/zinc/26/94/89/527269489.db2.gz KBMJHVCYZGXOFS-UHFFFAOYSA-N 2 2 289.354 2.200 10 0 CEAELP Cc1ncc(C[NH2+]C[C@@](C)([NH3+])c2ccccc2)s1 ZINC000052883531 527272439 /nfs/dbraw/zinc/27/24/39/527272439.db2.gz YUGMZUNCPOIOIZ-CQSZACIVSA-N 2 2 261.394 2.415 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272420 567924962 /nfs/dbraw/zinc/92/49/62/567924962.db2.gz QAVQCCDLVNFZQS-CMPLNLGQSA-N 2 2 296.440 2.051 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272420 567924963 /nfs/dbraw/zinc/92/49/63/567924963.db2.gz QAVQCCDLVNFZQS-CMPLNLGQSA-N 2 2 296.440 2.051 10 0 CEAELP Cc1cc(N2CCC([NH3+])CC2)nc(-c2ccccc2)[nH+]1 ZINC000045946996 362171936 /nfs/dbraw/zinc/17/19/36/362171936.db2.gz GYDBMSWWBTUKJF-UHFFFAOYSA-N 2 2 268.364 2.380 10 0 CEAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1c[nH]c[nH+]1 ZINC000029400712 343400087 /nfs/dbraw/zinc/40/00/87/343400087.db2.gz RHYGQVWDQIOTFG-LBPRGKRZSA-N 2 2 259.353 2.269 10 0 CEAELP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1c[nH+]c[nH]1 ZINC000029400712 343400088 /nfs/dbraw/zinc/40/00/88/343400088.db2.gz RHYGQVWDQIOTFG-LBPRGKRZSA-N 2 2 259.353 2.269 10 0 CEAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)[C@@H]1CSc2ccccc21 ZINC000097309643 185583048 /nfs/dbraw/zinc/58/30/48/185583048.db2.gz FRYKRFXLHUEOHE-OLZOCXBDSA-N 2 2 273.405 2.440 10 0 CEAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000178519032 232374485 /nfs/dbraw/zinc/37/44/85/232374485.db2.gz WJKPFPGXRBWNEK-SMDDNHRTSA-N 2 2 297.468 2.257 10 0 CEAELP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000085360365 179032533 /nfs/dbraw/zinc/03/25/33/179032533.db2.gz ASYFOAFQBVVENU-HUUCEWRRSA-N 2 2 284.363 2.328 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000085363952 179035454 /nfs/dbraw/zinc/03/54/54/179035454.db2.gz QINMMGMGRFVWFI-RYUDHWBXSA-N 2 2 272.352 2.327 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCCn1cc[nH+]c1 ZINC000085494461 179082045 /nfs/dbraw/zinc/08/20/45/179082045.db2.gz TVZQJTGKADJFBP-HUUCEWRRSA-N 2 2 264.417 2.126 10 0 CEAELP COCCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085503191 179084716 /nfs/dbraw/zinc/08/47/16/179084716.db2.gz RCEGRBFNBNCWES-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085503191 179084718 /nfs/dbraw/zinc/08/47/18/179084718.db2.gz RCEGRBFNBNCWES-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCCC2 ZINC000085516049 179087345 /nfs/dbraw/zinc/08/73/45/179087345.db2.gz FRKARCSWWUOFMK-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCCC2 ZINC000085516049 179087347 /nfs/dbraw/zinc/08/73/47/179087347.db2.gz FRKARCSWWUOFMK-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCC1(CC)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085515621 179087649 /nfs/dbraw/zinc/08/76/49/179087649.db2.gz RQUYJVWUOXZNNS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCOC ZINC000085515621 179087650 /nfs/dbraw/zinc/08/76/50/179087650.db2.gz RQUYJVWUOXZNNS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CC1(C)C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085528042 179090952 /nfs/dbraw/zinc/09/09/52/179090952.db2.gz VNZFRBDFOPNROR-HNNXBMFYSA-N 2 2 284.407 2.297 10 0 CEAELP C[NH+](C)c1ccc(-n2c3c(nc2C2CC2)C[NH2+]CC3)cc1 ZINC000085570413 179096361 /nfs/dbraw/zinc/09/63/61/179096361.db2.gz HZIBNVJMPRKZMG-UHFFFAOYSA-N 2 2 282.391 2.461 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611139 179102763 /nfs/dbraw/zinc/10/27/63/179102763.db2.gz NLQCFDXHKOJGPK-GFCCVEGCSA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611139 179102764 /nfs/dbraw/zinc/10/27/64/179102764.db2.gz NLQCFDXHKOJGPK-GFCCVEGCSA-N 2 2 282.350 2.275 10 0 CEAELP CC1CC[NH+](CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636560 179110154 /nfs/dbraw/zinc/11/01/54/179110154.db2.gz XACYPVLNWJVNJL-KFWWJZLASA-N 2 2 266.429 2.121 10 0 CEAELP C[NH2+][C@H](Cc1sccc1Br)C[NH+](C)C ZINC000085798907 179172965 /nfs/dbraw/zinc/17/29/65/179172965.db2.gz ODLNZVFVYNMXHZ-MRVPVSSYSA-N 2 2 277.231 2.203 10 0 CEAELP CCC[NH2+][C@H](CCO)Cn1c(CC)[nH+]c2ccccc21 ZINC000085923454 179201477 /nfs/dbraw/zinc/20/14/77/179201477.db2.gz XDASIAHBAONHMH-CYBMUJFWSA-N 2 2 275.396 2.349 10 0 CEAELP CC[C@@H](COC)[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086176412 179246334 /nfs/dbraw/zinc/24/63/34/179246334.db2.gz SFZSZUQBYSOZEN-RRFJBIMHSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@@H](COC)[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086176412 179246335 /nfs/dbraw/zinc/24/63/35/179246335.db2.gz SFZSZUQBYSOZEN-RRFJBIMHSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086264893 179260933 /nfs/dbraw/zinc/26/09/33/179260933.db2.gz DRHJSAZQEGICJG-CVEARBPZSA-N 2 2 284.407 2.345 10 0 CEAELP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000086297163 179267797 /nfs/dbraw/zinc/26/77/97/179267797.db2.gz SAOUOEXZLUHGGX-GFCCVEGCSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1ncsc1C[N@H+]1CCC[NH2+][C@@H](C(C)C)C1 ZINC000086297163 179267799 /nfs/dbraw/zinc/26/77/99/179267799.db2.gz SAOUOEXZLUHGGX-GFCCVEGCSA-N 2 2 253.415 2.271 10 0 CEAELP C[C@@H]1C[N@H+](CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294957 179267952 /nfs/dbraw/zinc/26/79/52/179267952.db2.gz FGMYBTPIUDHWKB-LLVKDONJSA-N 2 2 254.324 2.191 10 0 CEAELP C[C@@H]1C[N@@H+](CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294957 179267954 /nfs/dbraw/zinc/26/79/54/179267954.db2.gz FGMYBTPIUDHWKB-LLVKDONJSA-N 2 2 254.324 2.191 10 0 CEAELP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777882 179329250 /nfs/dbraw/zinc/32/92/50/179329250.db2.gz SWZWJCJUZRCKJL-SECBINFHSA-N 2 2 259.806 2.500 10 0 CEAELP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000086777882 179329251 /nfs/dbraw/zinc/32/92/51/179329251.db2.gz SWZWJCJUZRCKJL-SECBINFHSA-N 2 2 259.806 2.500 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840792 179352557 /nfs/dbraw/zinc/35/25/57/179352557.db2.gz SJSOXMSBPQJZTF-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840792 179352558 /nfs/dbraw/zinc/35/25/58/179352558.db2.gz SJSOXMSBPQJZTF-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[N@@H+]1CCC[C@]([NH3+])(c2noc(C(C)C)n2)CC1 ZINC000086851754 179360034 /nfs/dbraw/zinc/36/00/34/179360034.db2.gz DNVRYMPAVISMMV-CQSZACIVSA-N 2 2 266.389 2.243 10 0 CEAELP CCC[N@H+]1CCC[C@]([NH3+])(c2noc(C(C)C)n2)CC1 ZINC000086851754 179360035 /nfs/dbraw/zinc/36/00/35/179360035.db2.gz DNVRYMPAVISMMV-CQSZACIVSA-N 2 2 266.389 2.243 10 0 CEAELP C[NH2+][C@@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851375 179359044 /nfs/dbraw/zinc/35/90/44/179359044.db2.gz GPOFXLJZGLTDIZ-ZDUSSCGKSA-N 2 2 253.415 2.452 10 0 CEAELP C[NH2+][C@@]1(c2nccs2)CCC[N@H+](C(C)C)CC1 ZINC000086851375 179359045 /nfs/dbraw/zinc/35/90/45/179359045.db2.gz GPOFXLJZGLTDIZ-ZDUSSCGKSA-N 2 2 253.415 2.452 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)CC1 ZINC000086890721 179366313 /nfs/dbraw/zinc/36/63/13/179366313.db2.gz VXFAWBSEPOKRMW-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC(C)(C)C2)CC1 ZINC000086890721 179366314 /nfs/dbraw/zinc/36/63/14/179366314.db2.gz VXFAWBSEPOKRMW-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH+](C)CC[NH2+][C@@]1(CO)CCC[C@H](C(C)(C)C)CC1 ZINC000086962048 179369627 /nfs/dbraw/zinc/36/96/27/179369627.db2.gz GBZOEPQYLRRFHE-HOCLYGCPSA-N 2 2 270.461 2.495 10 0 CEAELP Nc1cc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616659627 348551720 /nfs/dbraw/zinc/55/17/20/348551720.db2.gz GYUPXWHZOMKPHY-INIZCTEOSA-N 2 2 283.375 2.110 10 0 CEAELP Nc1cc([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616659627 348551724 /nfs/dbraw/zinc/55/17/24/348551724.db2.gz GYUPXWHZOMKPHY-INIZCTEOSA-N 2 2 283.375 2.110 10 0 CEAELP Nc1cc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616634601 348541866 /nfs/dbraw/zinc/54/18/66/348541866.db2.gz VDUQAYJFYQKEAZ-HNNXBMFYSA-N 2 2 253.349 2.484 10 0 CEAELP Nc1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616634601 348541869 /nfs/dbraw/zinc/54/18/69/348541869.db2.gz VDUQAYJFYQKEAZ-HNNXBMFYSA-N 2 2 253.349 2.484 10 0 CEAELP CCOC(=O)c1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000616619144 348536309 /nfs/dbraw/zinc/53/63/09/348536309.db2.gz GJUHXKUNQVTRSD-UHFFFAOYSA-N 2 2 276.380 2.001 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3ccncc32)C1 ZINC000616620803 348537433 /nfs/dbraw/zinc/53/74/33/348537433.db2.gz LPPPYBDDSQKQSZ-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3ccncc32)C1 ZINC000616620803 348537434 /nfs/dbraw/zinc/53/74/34/348537434.db2.gz LPPPYBDDSQKQSZ-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1CCO ZINC000616691738 348561944 /nfs/dbraw/zinc/56/19/44/348561944.db2.gz MLQCCCWKRWTBNN-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1CCO ZINC000616691738 348561945 /nfs/dbraw/zinc/56/19/45/348561945.db2.gz MLQCCCWKRWTBNN-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000089451609 539717068 /nfs/dbraw/zinc/71/70/68/539717068.db2.gz CRFUGOGCRYSXOG-STQMWFEESA-N 2 2 284.363 2.186 10 0 CEAELP CCn1c[nH+]cc1CN1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000090175959 179926932 /nfs/dbraw/zinc/92/69/32/179926932.db2.gz QCRSTTASGKDWII-AWEZNQCLSA-N 2 2 264.417 2.113 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC(C)(C)C1 ZINC000068802833 362947399 /nfs/dbraw/zinc/94/73/99/362947399.db2.gz HMKJGIHWGKGELZ-RBSFLKMASA-N 2 2 267.461 2.037 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC(C)(C)C1 ZINC000068802833 362947404 /nfs/dbraw/zinc/94/74/04/362947404.db2.gz HMKJGIHWGKGELZ-RBSFLKMASA-N 2 2 267.461 2.037 10 0 CEAELP C[C@H]1CC[NH2+]C[C@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000090695704 180026316 /nfs/dbraw/zinc/02/63/16/180026316.db2.gz HRIQQSVDTSLNPG-GXSJLCMTSA-N 2 2 250.308 2.259 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874403 180049749 /nfs/dbraw/zinc/04/97/49/180049749.db2.gz IJCWUEZQFGTYTE-GJZGRUSLSA-N 2 2 262.397 2.166 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875358 180051029 /nfs/dbraw/zinc/05/10/29/180051029.db2.gz JLNLXWXLGQKZPI-HOTGVXAUSA-N 2 2 274.408 2.453 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875358 180051030 /nfs/dbraw/zinc/05/10/30/180051030.db2.gz JLNLXWXLGQKZPI-HOTGVXAUSA-N 2 2 274.408 2.453 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C[NH+](C)C)C(C)C)O2 ZINC000090897649 180057193 /nfs/dbraw/zinc/05/71/93/180057193.db2.gz NCSUGWIGIJOFGI-HOTGVXAUSA-N 2 2 276.424 2.474 10 0 CEAELP CC[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907625 180062198 /nfs/dbraw/zinc/06/21/98/180062198.db2.gz QBZXZFWQLDTECN-OKILXGFUSA-N 2 2 252.402 2.020 10 0 CEAELP CC[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907625 180062199 /nfs/dbraw/zinc/06/21/99/180062199.db2.gz QBZXZFWQLDTECN-OKILXGFUSA-N 2 2 252.402 2.020 10 0 CEAELP c1[nH+]cn(C2CC2)c1C[NH2+][C@H]1COc2ccccc21 ZINC000091276027 180118773 /nfs/dbraw/zinc/11/87/73/180118773.db2.gz DGSOLXJDOYOWFR-AWEZNQCLSA-N 2 2 255.321 2.441 10 0 CEAELP CCC(C)(C)N(C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276586 180120333 /nfs/dbraw/zinc/12/03/33/180120333.db2.gz LZNXGJKCABNWKH-GFCCVEGCSA-N 2 2 250.390 2.338 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)s1 ZINC000091464604 180163189 /nfs/dbraw/zinc/16/31/89/180163189.db2.gz MHFSOJSAKGVLHN-NPZBDFSRSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)s1 ZINC000091464604 180163191 /nfs/dbraw/zinc/16/31/91/180163191.db2.gz MHFSOJSAKGVLHN-NPZBDFSRSA-N 2 2 268.426 2.148 10 0 CEAELP C[C@H]([NH2+]CC1CC(O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000091415532 180149676 /nfs/dbraw/zinc/14/96/76/180149676.db2.gz AIZHNMHUSZGXGP-FUJMWEONSA-N 2 2 271.364 2.294 10 0 CEAELP CCn1cc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564432 180193365 /nfs/dbraw/zinc/19/33/65/180193365.db2.gz CHYGCHPOROOEIU-CQSZACIVSA-N 2 2 264.417 2.037 10 0 CEAELP CC[C@@](C)([C@H](O)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000091569112 180195369 /nfs/dbraw/zinc/19/53/69/180195369.db2.gz CSQFYXHSUKGHCM-ZBFHGGJFSA-N 2 2 280.412 2.341 10 0 CEAELP CC[C@](C)([C@H](O)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000091569113 180195714 /nfs/dbraw/zinc/19/57/14/180195714.db2.gz CSQFYXHSUKGHCM-GDBMZVCRSA-N 2 2 280.412 2.341 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599671 180202106 /nfs/dbraw/zinc/20/21/06/180202106.db2.gz PIXHWFDFNFZTBS-HZPDHXFCSA-N 2 2 280.460 2.370 10 0 CEAELP CC[NH+](CC)C(CC)(CC)[C@@H](Cc1cnn(C)c1)[NH2+]C ZINC000091616193 180207912 /nfs/dbraw/zinc/20/79/12/180207912.db2.gz WKSKZAWAMYRWIV-OAHLLOKOSA-N 2 2 280.460 2.451 10 0 CEAELP CC[NH+](CC)C(C)(C)[C@H](O)c1c(C)cc[nH+]c1N ZINC000091529882 180180301 /nfs/dbraw/zinc/18/03/01/180180301.db2.gz XVRGJPJJBSMDTN-GFCCVEGCSA-N 2 2 251.374 2.126 10 0 CEAELP CC[NH+](CC)C1([C@H](N)c2c[nH+]ccc2N)CCCC1 ZINC000091639170 180212410 /nfs/dbraw/zinc/21/24/10/180212410.db2.gz ZQXBYNSUKCYIEJ-CQSZACIVSA-N 2 2 262.401 2.318 10 0 CEAELP CC1CCC([C@@H](N)c2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648808 180216256 /nfs/dbraw/zinc/21/62/56/180216256.db2.gz UBOKLVQFOFIAOR-WPBUFGDCSA-N 2 2 262.401 2.174 10 0 CEAELP Cc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(C(C)C)[nH+]1 ZINC000091673028 180224123 /nfs/dbraw/zinc/22/41/23/180224123.db2.gz HHVZFIURDKARIN-KGLIPLIRSA-N 2 2 290.411 2.184 10 0 CEAELP Cc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc(C(C)C)[nH+]1 ZINC000091673028 180224125 /nfs/dbraw/zinc/22/41/25/180224125.db2.gz HHVZFIURDKARIN-KGLIPLIRSA-N 2 2 290.411 2.184 10 0 CEAELP C[NH2+][C@H](c1ccccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720956 180236556 /nfs/dbraw/zinc/23/65/56/180236556.db2.gz HOGBXXZTEGGSEY-KCPJHIHWSA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1ccccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720956 180236559 /nfs/dbraw/zinc/23/65/59/180236559.db2.gz HOGBXXZTEGGSEY-KCPJHIHWSA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](C)c1cccn1Cc1[nH+]ccn1C(F)F ZINC000091801256 180259132 /nfs/dbraw/zinc/25/91/32/180259132.db2.gz BECPVTUBGVXWDT-SECBINFHSA-N 2 2 254.284 2.408 10 0 CEAELP CCC[N@H+](CCCn1cc[nH+]c1)C1CCC([NH3+])CC1 ZINC000091852347 180273185 /nfs/dbraw/zinc/27/31/85/180273185.db2.gz LZRLMJHXESXJNA-UHFFFAOYSA-N 3 2 264.417 2.255 10 0 CEAELP CCC[N@@H+](CCCn1cc[nH+]c1)C1CCC([NH3+])CC1 ZINC000091852347 180273187 /nfs/dbraw/zinc/27/31/87/180273187.db2.gz LZRLMJHXESXJNA-UHFFFAOYSA-N 3 2 264.417 2.255 10 0 CEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C[C@H]1C ZINC000092083405 180320834 /nfs/dbraw/zinc/32/08/34/180320834.db2.gz MGCGJBXZOJYSLL-CPUCHLNUSA-N 2 2 284.407 2.460 10 0 CEAELP CC[NH2+][C@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087740 180321169 /nfs/dbraw/zinc/32/11/69/180321169.db2.gz AXEDIBTZMLBRHA-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@](C)(CCCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087740 180321171 /nfs/dbraw/zinc/32/11/71/180321171.db2.gz AXEDIBTZMLBRHA-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092243737 180351342 /nfs/dbraw/zinc/35/13/42/180351342.db2.gz MFQZWQJLGYTTCT-ZDUSSCGKSA-N 2 2 273.405 2.269 10 0 CEAELP [NH3+]CCc1[nH+]ccn1C[C@H]1CSc2ccccc21 ZINC000092293053 180357827 /nfs/dbraw/zinc/35/78/27/180357827.db2.gz ZAEUYOZMRHJCLA-NSHDSACASA-N 2 2 259.378 2.274 10 0 CEAELP [NH3+]CCc1[nH+]ccn1C[C@@H]1CSc2ccccc21 ZINC000092293049 180357910 /nfs/dbraw/zinc/35/79/10/180357910.db2.gz ZAEUYOZMRHJCLA-LLVKDONJSA-N 2 2 259.378 2.274 10 0 CEAELP c1cn(CCCC[NH2+]C[C@H]2COc3ccccc32)c[nH+]1 ZINC000092300528 180358801 /nfs/dbraw/zinc/35/88/01/180358801.db2.gz BSCZMJNMDCYNNA-AWEZNQCLSA-N 2 2 271.364 2.429 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417257 180381084 /nfs/dbraw/zinc/38/10/84/180381084.db2.gz ZAWDPYYPCKWSHD-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417257 180381086 /nfs/dbraw/zinc/38/10/86/180381086.db2.gz ZAWDPYYPCKWSHD-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000107827782 186194485 /nfs/dbraw/zinc/19/44/85/186194485.db2.gz GMUYDFTUVYCKDC-ONGXEEELSA-N 2 2 271.320 2.113 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2c(N)cccc2F)CC1 ZINC000109427652 186251840 /nfs/dbraw/zinc/25/18/40/186251840.db2.gz ZKCZBNNWISRDSX-UHFFFAOYSA-N 2 2 265.376 2.324 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2c(N)cccc2F)CC1 ZINC000109427652 186251842 /nfs/dbraw/zinc/25/18/42/186251842.db2.gz ZKCZBNNWISRDSX-UHFFFAOYSA-N 2 2 265.376 2.324 10 0 CEAELP C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550904 186303219 /nfs/dbraw/zinc/30/32/19/186303219.db2.gz RMLIKVCSPZROHA-KBPBESRZSA-N 2 2 299.459 2.173 10 0 CEAELP CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936258 186334928 /nfs/dbraw/zinc/33/49/28/186334928.db2.gz QTHPAMLGQKRPRN-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936258 186334929 /nfs/dbraw/zinc/33/49/29/186334929.db2.gz QTHPAMLGQKRPRN-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936979 186335000 /nfs/dbraw/zinc/33/50/00/186335000.db2.gz PEFCSHFHGDKPMH-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936979 186335002 /nfs/dbraw/zinc/33/50/02/186335002.db2.gz PEFCSHFHGDKPMH-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(C)c(F)c1)[C@@H](C)COC ZINC000110977641 186339528 /nfs/dbraw/zinc/33/95/28/186339528.db2.gz KJTPVWLAYUYMKR-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(C)c(F)c1)[C@@H](C)COC ZINC000110977641 186339530 /nfs/dbraw/zinc/33/95/30/186339530.db2.gz KJTPVWLAYUYMKR-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP CCCNc1ncccc1C[N@H+](C)CCC[NH+](C)C ZINC000111146299 186359399 /nfs/dbraw/zinc/35/93/99/186359399.db2.gz MCOAQNQEYIUDLE-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP CCCNc1ncccc1C[N@@H+](C)CCC[NH+](C)C ZINC000111146299 186359401 /nfs/dbraw/zinc/35/94/01/186359401.db2.gz MCOAQNQEYIUDLE-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP C[NH2+]Cc1oc2ccccc2c1C[N@H+](C)CCN(C)C ZINC000111149782 186360342 /nfs/dbraw/zinc/36/03/42/186360342.db2.gz UKOCNAKVQMUQPH-UHFFFAOYSA-N 2 2 275.396 2.146 10 0 CEAELP C[NH2+]Cc1oc2ccccc2c1C[N@@H+](C)CCN(C)C ZINC000111149782 186360343 /nfs/dbraw/zinc/36/03/43/186360343.db2.gz UKOCNAKVQMUQPH-UHFFFAOYSA-N 2 2 275.396 2.146 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320643 186397351 /nfs/dbraw/zinc/39/73/51/186397351.db2.gz ZCHURRFBNYQWQM-UKRRQHHQSA-N 2 2 266.360 2.011 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320643 186397353 /nfs/dbraw/zinc/39/73/53/186397353.db2.gz ZCHURRFBNYQWQM-UKRRQHHQSA-N 2 2 266.360 2.011 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111229469 186371944 /nfs/dbraw/zinc/37/19/44/186371944.db2.gz IRZNMMLBLNVMEV-LBPRGKRZSA-N 2 2 259.357 2.006 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111229469 186371945 /nfs/dbraw/zinc/37/19/45/186371945.db2.gz IRZNMMLBLNVMEV-LBPRGKRZSA-N 2 2 259.357 2.006 10 0 CEAELP Cc1[nH]c(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)[nH+]c1C ZINC000628180233 350993499 /nfs/dbraw/zinc/99/34/99/350993499.db2.gz HHADIHGZJMYIJZ-BXUZGUMPSA-N 2 2 262.401 2.085 10 0 CEAELP Cc1[nH]c(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)[nH+]c1C ZINC000628180233 350993501 /nfs/dbraw/zinc/99/35/01/350993501.db2.gz HHADIHGZJMYIJZ-BXUZGUMPSA-N 2 2 262.401 2.085 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630365019 351713456 /nfs/dbraw/zinc/71/34/56/351713456.db2.gz HHILLYGLTTXSSU-HOTGVXAUSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630365019 351713460 /nfs/dbraw/zinc/71/34/60/351713460.db2.gz HHILLYGLTTXSSU-HOTGVXAUSA-N 2 2 262.397 2.242 10 0 CEAELP [NH3+]C[C@@H]1CN(c2cccc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000630529842 351773670 /nfs/dbraw/zinc/77/36/70/351773670.db2.gz XBULQOPXGYVXCR-ZJUUUORDSA-N 2 2 259.275 2.045 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccnn2CC)C1 ZINC000122893921 187058402 /nfs/dbraw/zinc/05/84/02/187058402.db2.gz MDJFTCQXEZFKMD-AWEZNQCLSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccnn2CC)C1 ZINC000122893921 187058403 /nfs/dbraw/zinc/05/84/03/187058403.db2.gz MDJFTCQXEZFKMD-AWEZNQCLSA-N 2 2 287.411 2.499 10 0 CEAELP O[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151246111 366633267 /nfs/dbraw/zinc/63/32/67/366633267.db2.gz NYPHKYQIOAPBBQ-WBVHZDCISA-N 2 2 292.398 2.249 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151349922 366641727 /nfs/dbraw/zinc/64/17/27/366641727.db2.gz DLFIOUXKJAOLPH-KBPBESRZSA-N 2 2 280.412 2.339 10 0 CEAELP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000179987183 542259544 /nfs/dbraw/zinc/25/95/44/542259544.db2.gz FAMCZSBUMCVQNB-AWEZNQCLSA-N 2 2 299.422 2.312 10 0 CEAELP CCc1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000179987183 542259549 /nfs/dbraw/zinc/25/95/49/542259549.db2.gz FAMCZSBUMCVQNB-AWEZNQCLSA-N 2 2 299.422 2.312 10 0 CEAELP Cc1cnn([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000182762013 189333596 /nfs/dbraw/zinc/33/35/96/189333596.db2.gz CQZPGHVYWAREJV-HNNXBMFYSA-N 2 2 273.384 2.115 10 0 CEAELP Cc1cnn([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000182762013 189333597 /nfs/dbraw/zinc/33/35/97/189333597.db2.gz CQZPGHVYWAREJV-HNNXBMFYSA-N 2 2 273.384 2.115 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCCCC[C@H]([NH3+])C1 ZINC000631834156 367573567 /nfs/dbraw/zinc/57/35/67/367573567.db2.gz QGEQNXNHJIPXAU-ZDUSSCGKSA-N 2 2 250.390 2.167 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]12 ZINC000261592791 371667624 /nfs/dbraw/zinc/66/76/24/371667624.db2.gz YRABNKUPIYAQEG-ISTVAULSSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]12 ZINC000261592791 371667629 /nfs/dbraw/zinc/66/76/29/371667629.db2.gz YRABNKUPIYAQEG-ISTVAULSSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680934 371699172 /nfs/dbraw/zinc/69/91/72/371699172.db2.gz MKGYIEXWZOEMSO-KBRIMQKVSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680934 371699179 /nfs/dbraw/zinc/69/91/79/371699179.db2.gz MKGYIEXWZOEMSO-KBRIMQKVSA-N 2 2 282.391 2.041 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000643470815 373139428 /nfs/dbraw/zinc/13/94/28/373139428.db2.gz GZUSZHRJWBKXQD-KGLIPLIRSA-N 2 2 274.412 2.482 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000382045959 375183179 /nfs/dbraw/zinc/18/31/79/375183179.db2.gz VODLJHZUDZMAHQ-ZFWWWQNUSA-N 2 2 253.349 2.423 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517883 375305534 /nfs/dbraw/zinc/30/55/34/375305534.db2.gz GKCZUQJLIQSKPJ-LBPRGKRZSA-N 2 2 296.798 2.295 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000389517883 375305543 /nfs/dbraw/zinc/30/55/43/375305543.db2.gz GKCZUQJLIQSKPJ-LBPRGKRZSA-N 2 2 296.798 2.295 10 0 CEAELP CC[N@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000302740304 379443098 /nfs/dbraw/zinc/44/30/98/379443098.db2.gz CNDORTXSKXYAMV-HNNXBMFYSA-N 2 2 297.406 2.377 10 0 CEAELP CC[N@@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(-c3ccncc3)n2)C1 ZINC000302740304 379443105 /nfs/dbraw/zinc/44/31/05/379443105.db2.gz CNDORTXSKXYAMV-HNNXBMFYSA-N 2 2 297.406 2.377 10 0 CEAELP CCn1cc[nH+]c1C[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000094143226 184756504 /nfs/dbraw/zinc/75/65/04/184756504.db2.gz ZEOIJQJSVKVZHC-INIZCTEOSA-N 2 2 273.380 2.414 10 0 CEAELP C[C@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000086676607 135048639 /nfs/dbraw/zinc/04/86/39/135048639.db2.gz IQETVHJVIUZCNR-WMLDXEAASA-N 2 2 291.414 2.465 10 0 CEAELP CSC1(C[NH3+])CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000091477446 135071163 /nfs/dbraw/zinc/07/11/63/135071163.db2.gz WXRZYLNZPDEDCI-UHFFFAOYSA-N 2 2 288.420 2.291 10 0 CEAELP Cc1cc(C)c(CO)c(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)[nH+]1 ZINC000094440243 135087952 /nfs/dbraw/zinc/08/79/52/135087952.db2.gz QNCBPOWSERDGRR-GJZGRUSLSA-N 2 2 289.423 2.254 10 0 CEAELP Cc1cc(C)c(CO)c(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)[nH+]1 ZINC000094440243 135087954 /nfs/dbraw/zinc/08/79/54/135087954.db2.gz QNCBPOWSERDGRR-GJZGRUSLSA-N 2 2 289.423 2.254 10 0 CEAELP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887051 395227878 /nfs/dbraw/zinc/22/78/78/395227878.db2.gz JPHRHWZVFOMXPT-SFHVURJKSA-N 3 2 287.451 2.383 10 0 CEAELP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000397887051 395227885 /nfs/dbraw/zinc/22/78/85/395227885.db2.gz JPHRHWZVFOMXPT-SFHVURJKSA-N 3 2 287.451 2.383 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223147523 153318660 /nfs/dbraw/zinc/31/86/60/153318660.db2.gz YHAVQLFBQVKALF-KFWWJZLASA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223147523 153318664 /nfs/dbraw/zinc/31/86/64/153318664.db2.gz YHAVQLFBQVKALF-KFWWJZLASA-N 2 2 267.461 2.178 10 0 CEAELP C[C@H](CCc1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000178617922 165252830 /nfs/dbraw/zinc/25/28/30/165252830.db2.gz PGDRWCBHZZOBRZ-NVXWUHKLSA-N 2 2 276.424 2.270 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363758 173152445 /nfs/dbraw/zinc/15/24/45/173152445.db2.gz UKXZDEVUBKKNQI-HNNXBMFYSA-N 2 2 260.381 2.496 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363758 173152446 /nfs/dbraw/zinc/15/24/46/173152446.db2.gz UKXZDEVUBKKNQI-HNNXBMFYSA-N 2 2 260.381 2.496 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000040638997 174363017 /nfs/dbraw/zinc/36/30/17/174363017.db2.gz MZPQOJSRUKIANB-UHFFFAOYSA-N 2 2 293.754 2.135 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2[nH+]ccn2C)o1 ZINC000040639282 174363904 /nfs/dbraw/zinc/36/39/04/174363904.db2.gz YPQHHXYUZPQZOA-UHFFFAOYSA-N 2 2 285.351 2.044 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673091 174371002 /nfs/dbraw/zinc/37/10/02/174371002.db2.gz ICYQDFWEVCEBAT-WFASDCNBSA-N 2 2 260.381 2.366 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673091 174371003 /nfs/dbraw/zinc/37/10/03/174371003.db2.gz ICYQDFWEVCEBAT-WFASDCNBSA-N 2 2 260.381 2.366 10 0 CEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310796040 414858704 /nfs/dbraw/zinc/85/87/04/414858704.db2.gz WACNKYWRKCJHJX-FZMZJTMJSA-N 2 2 270.804 2.303 10 0 CEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310796040 414858711 /nfs/dbraw/zinc/85/87/11/414858711.db2.gz WACNKYWRKCJHJX-FZMZJTMJSA-N 2 2 270.804 2.303 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)[N@@H+]1CCC[C@@H]1CO ZINC000043051850 174960376 /nfs/dbraw/zinc/96/03/76/174960376.db2.gz HTAPULUXRZABOK-GYSYKLTISA-N 2 2 268.788 2.185 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H]1CO ZINC000043051850 174960377 /nfs/dbraw/zinc/96/03/77/174960377.db2.gz HTAPULUXRZABOK-GYSYKLTISA-N 2 2 268.788 2.185 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C1CCOCC1 ZINC000043335321 175010917 /nfs/dbraw/zinc/01/09/17/175010917.db2.gz IONNMBRBOIJUHZ-JSGCOSHPSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C1CCOCC1 ZINC000043335321 175010919 /nfs/dbraw/zinc/01/09/19/175010919.db2.gz IONNMBRBOIJUHZ-JSGCOSHPSA-N 2 2 252.358 2.169 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336128 175011723 /nfs/dbraw/zinc/01/17/23/175011723.db2.gz ZDKSGFBEDYKNDM-RISCZKNCSA-N 2 2 254.374 2.151 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336128 175011724 /nfs/dbraw/zinc/01/17/24/175011724.db2.gz ZDKSGFBEDYKNDM-RISCZKNCSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCC1 ZINC000043336147 175012167 /nfs/dbraw/zinc/01/21/67/175012167.db2.gz HHBJEPIOAIPKGD-ZFWWWQNUSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCC1 ZINC000043336147 175012169 /nfs/dbraw/zinc/01/21/69/175012169.db2.gz HHBJEPIOAIPKGD-ZFWWWQNUSA-N 2 2 266.385 2.295 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340419 175014123 /nfs/dbraw/zinc/01/41/23/175014123.db2.gz WBYFERQMGQXTCJ-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340419 175014125 /nfs/dbraw/zinc/01/41/25/175014125.db2.gz WBYFERQMGQXTCJ-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043345777 175016874 /nfs/dbraw/zinc/01/68/74/175016874.db2.gz GXKDWSCGFBHDDM-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043345777 175016877 /nfs/dbraw/zinc/01/68/77/175016877.db2.gz GXKDWSCGFBHDDM-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCCSCC1 ZINC000043347398 175017949 /nfs/dbraw/zinc/01/79/49/175017949.db2.gz JNUUBRYZJLURAG-KGLIPLIRSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCCSCC1 ZINC000043347398 175017950 /nfs/dbraw/zinc/01/79/50/175017950.db2.gz JNUUBRYZJLURAG-KGLIPLIRSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043347570 175018168 /nfs/dbraw/zinc/01/81/68/175018168.db2.gz AZGSIRXMPYTSDP-JYJNAYRXSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043347570 175018169 /nfs/dbraw/zinc/01/81/69/175018169.db2.gz AZGSIRXMPYTSDP-JYJNAYRXSA-N 2 2 277.412 2.361 10 0 CEAELP CCOC1CC[NH+]([C@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043347176 175018184 /nfs/dbraw/zinc/01/81/84/175018184.db2.gz BPDINRYHXPKBGC-JKSUJKDBSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCO)C(C)C ZINC000043365150 175026398 /nfs/dbraw/zinc/02/63/98/175026398.db2.gz BYPBSFOAMSFIET-GXTWGEPZSA-N 2 2 254.374 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCO)C(C)C ZINC000043365150 175026400 /nfs/dbraw/zinc/02/64/00/175026400.db2.gz BYPBSFOAMSFIET-GXTWGEPZSA-N 2 2 254.374 2.069 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000658059711 415182420 /nfs/dbraw/zinc/18/24/20/415182420.db2.gz WTZHXXQYBVOIAA-DGAVXFQQSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000658059711 415182428 /nfs/dbraw/zinc/18/24/28/415182428.db2.gz WTZHXXQYBVOIAA-DGAVXFQQSA-N 2 2 266.429 2.262 10 0 CEAELP COC(C)(C)C[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105602 175307816 /nfs/dbraw/zinc/30/78/16/175307816.db2.gz NKADBNZBHMLIFL-ZDUSSCGKSA-N 2 2 253.390 2.457 10 0 CEAELP Cc1ccc(C(N)=S)c(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000045137214 175314540 /nfs/dbraw/zinc/31/45/40/175314540.db2.gz OPLGJDRZJJMYCJ-LBPRGKRZSA-N 2 2 292.452 2.166 10 0 CEAELP Cc1ccc(C(N)=S)c(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000045137214 175314541 /nfs/dbraw/zinc/31/45/41/175314541.db2.gz OPLGJDRZJJMYCJ-LBPRGKRZSA-N 2 2 292.452 2.166 10 0 CEAELP C[N@H+](CC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCCC1 ZINC000045272025 175343448 /nfs/dbraw/zinc/34/34/48/175343448.db2.gz AOJXHUFLAQOXAD-INIZCTEOSA-N 2 2 281.444 2.027 10 0 CEAELP C[N@@H+](CC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCCC1 ZINC000045272025 175343450 /nfs/dbraw/zinc/34/34/50/175343450.db2.gz AOJXHUFLAQOXAD-INIZCTEOSA-N 2 2 281.444 2.027 10 0 CEAELP CC[NH2+][C@@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374968 175365501 /nfs/dbraw/zinc/36/55/01/175365501.db2.gz WUJXLZSSIRUYHM-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CCCc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071145367 176042070 /nfs/dbraw/zinc/04/20/70/176042070.db2.gz VSXNMSXVLBPFOV-HNNXBMFYSA-N 2 2 289.423 2.119 10 0 CEAELP CCCc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071145367 176042071 /nfs/dbraw/zinc/04/20/71/176042071.db2.gz VSXNMSXVLBPFOV-HNNXBMFYSA-N 2 2 289.423 2.119 10 0 CEAELP COc1ccc(C[C@@](C)(C[NH3+])[NH+]2CCSCC2)cc1 ZINC000071169083 176049769 /nfs/dbraw/zinc/04/97/69/176049769.db2.gz JNFOOLGXKHABMC-HNNXBMFYSA-N 2 2 280.437 2.004 10 0 CEAELP COCC[N@H+](C1CC1)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000071169186 176050096 /nfs/dbraw/zinc/05/00/96/176050096.db2.gz KNZOKKWQBJECIH-QGZVFWFLSA-N 2 2 292.423 2.066 10 0 CEAELP COCC[N@@H+](C1CC1)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000071169186 176050098 /nfs/dbraw/zinc/05/00/98/176050098.db2.gz KNZOKKWQBJECIH-QGZVFWFLSA-N 2 2 292.423 2.066 10 0 CEAELP C[N@@H+](Cc1c2ccccc2oc1C[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071191806 176072908 /nfs/dbraw/zinc/07/29/08/176072908.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 3 2 287.407 2.275 10 0 CEAELP C[N@H+](Cc1c2ccccc2oc1C[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071191806 176072910 /nfs/dbraw/zinc/07/29/10/176072910.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 3 2 287.407 2.275 10 0 CEAELP C[NH+](Cc1c2ccccc2oc1C[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071191806 176072912 /nfs/dbraw/zinc/07/29/12/176072912.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 3 2 287.407 2.275 10 0 CEAELP C[NH+](Cc1c2ccccc2oc1C[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071191806 176072914 /nfs/dbraw/zinc/07/29/14/176072914.db2.gz SDJUPFSYEZTHNL-ZDUSSCGKSA-N 3 2 287.407 2.275 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000071198469 176077140 /nfs/dbraw/zinc/07/71/40/176077140.db2.gz OBWZRVDVNGMORM-HNNXBMFYSA-N 2 2 261.413 2.197 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000071198469 176077141 /nfs/dbraw/zinc/07/71/41/176077141.db2.gz OBWZRVDVNGMORM-HNNXBMFYSA-N 2 2 261.413 2.197 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213755 176085325 /nfs/dbraw/zinc/08/53/25/176085325.db2.gz BBBWZHDYTRNZHS-XQQFMLRXSA-N 2 2 265.426 2.462 10 0 CEAELP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@]1(C)C1CC1 ZINC000071343364 176130876 /nfs/dbraw/zinc/13/08/76/176130876.db2.gz SHTKFWGJBHYUHC-MRXNPFEDSA-N 2 2 276.428 2.044 10 0 CEAELP CC[C@@]1(C)C[N@H+](CCOC)C2(CCCCC2)C[NH2+]1 ZINC000071358039 176137587 /nfs/dbraw/zinc/13/75/87/176137587.db2.gz UYQFHTGZGZFEIR-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[N@@H+](CCOC)C2(CCCCC2)C[NH2+]1 ZINC000071358039 176137589 /nfs/dbraw/zinc/13/75/89/176137589.db2.gz UYQFHTGZGZFEIR-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP COCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1CC(C)C ZINC000071358783 176137920 /nfs/dbraw/zinc/13/79/20/176137920.db2.gz GMXDPVZKEZRNOT-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1CC(C)C ZINC000071358783 176137922 /nfs/dbraw/zinc/13/79/22/176137922.db2.gz GMXDPVZKEZRNOT-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCn1c(C)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1C ZINC000078739588 177380039 /nfs/dbraw/zinc/38/00/39/177380039.db2.gz RXDOBKFEWAMXFA-GFCCVEGCSA-N 2 2 260.385 2.500 10 0 CEAELP CCC[C@@H](CC[NH3+])CCC(=O)NCCCCn1cc[nH+]c1 ZINC000079256207 177459694 /nfs/dbraw/zinc/45/96/94/177459694.db2.gz RLHFOMXRPIRGAJ-OAHLLOKOSA-N 2 2 294.443 2.325 10 0 CEAELP CCCC(=O)N[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191780849 280175194 /nfs/dbraw/zinc/17/51/94/280175194.db2.gz JZPORWFFLJOTIZ-OAHLLOKOSA-N 2 2 283.460 2.099 10 0 CEAELP CCCC(=O)N[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191780849 280175197 /nfs/dbraw/zinc/17/51/97/280175197.db2.gz JZPORWFFLJOTIZ-OAHLLOKOSA-N 2 2 283.460 2.099 10 0 CEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000389947066 321893083 /nfs/dbraw/zinc/89/30/83/321893083.db2.gz UUQFXTXQYSXFMJ-INIZCTEOSA-N 2 2 284.407 2.163 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@H+](CC)CCOC)cs1 ZINC000052542583 519965549 /nfs/dbraw/zinc/96/55/49/519965549.db2.gz ZGSFIWYUEWNKIA-UHFFFAOYSA-N 2 2 271.430 2.111 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@@H+](CC)CCOC)cs1 ZINC000052542583 519965556 /nfs/dbraw/zinc/96/55/56/519965556.db2.gz ZGSFIWYUEWNKIA-UHFFFAOYSA-N 2 2 271.430 2.111 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCOC(C)(C)C2)CCOCC1 ZINC000052181941 518752314 /nfs/dbraw/zinc/75/23/14/518752314.db2.gz QTSNSPZRSSPGRC-UHFFFAOYSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@H+]2CCOC(C)(C)C2)CCOCC1 ZINC000052181941 518752323 /nfs/dbraw/zinc/75/23/23/518752323.db2.gz QTSNSPZRSSPGRC-UHFFFAOYSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674929 519723477 /nfs/dbraw/zinc/72/34/77/519723477.db2.gz UVGPYNCQOWGEAH-AWEZNQCLSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674929 519723478 /nfs/dbraw/zinc/72/34/78/519723478.db2.gz UVGPYNCQOWGEAH-AWEZNQCLSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049199087 519814433 /nfs/dbraw/zinc/81/44/33/519814433.db2.gz ADTBQPCQHWVRAY-ZDUSSCGKSA-N 2 2 295.393 2.189 10 0 CEAELP CCCN1CC[NH+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052421938 519859025 /nfs/dbraw/zinc/85/90/25/519859025.db2.gz WASHIRJWACUBAQ-UHFFFAOYSA-N 2 2 287.407 2.419 10 0 CEAELP CCC1CC[NH+](CC[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000053445656 519859163 /nfs/dbraw/zinc/85/91/63/519859163.db2.gz SOANFEFHYFSWQU-HIFRSBDPSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)oc1C ZINC000052476385 519989879 /nfs/dbraw/zinc/98/98/79/519989879.db2.gz YEJXHBATCLNCMP-NWDGAFQWSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)oc1C ZINC000052476385 519989884 /nfs/dbraw/zinc/98/98/84/519989884.db2.gz YEJXHBATCLNCMP-NWDGAFQWSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1c[nH+]c(C)[nH]1 ZINC000054797984 520636824 /nfs/dbraw/zinc/63/68/24/520636824.db2.gz KBIPDOSRFDGZSA-LBPRGKRZSA-N 3 2 252.406 2.318 10 0 CEAELP CCCc1[nH+]c2cc(N)ccc2n1CCn1cc[nH+]c1 ZINC000052855544 521542581 /nfs/dbraw/zinc/54/25/81/521542581.db2.gz LJANDXPNVXIKBL-UHFFFAOYSA-N 2 2 269.352 2.468 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544086 521567440 /nfs/dbraw/zinc/56/74/40/521567440.db2.gz XERSEJRSUQGTKP-OAHLLOKOSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544086 521567444 /nfs/dbraw/zinc/56/74/44/521567444.db2.gz XERSEJRSUQGTKP-OAHLLOKOSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+](Cc1cnn(CC)c1)[C@](C)(CC)C[NH3+] ZINC000050539290 521692387 /nfs/dbraw/zinc/69/23/87/521692387.db2.gz NPQHINLJAHDMBR-CQSZACIVSA-N 2 2 252.406 2.242 10 0 CEAELP CCC[N@@H+](Cc1cnn(CC)c1)[C@](C)(CC)C[NH3+] ZINC000050539290 521692390 /nfs/dbraw/zinc/69/23/90/521692390.db2.gz NPQHINLJAHDMBR-CQSZACIVSA-N 2 2 252.406 2.242 10 0 CEAELP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834419 521749977 /nfs/dbraw/zinc/74/99/77/521749977.db2.gz DFBPHXHESSXGLR-UKRRQHHQSA-N 2 2 289.423 2.104 10 0 CEAELP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834419 521749982 /nfs/dbraw/zinc/74/99/82/521749982.db2.gz DFBPHXHESSXGLR-UKRRQHHQSA-N 2 2 289.423 2.104 10 0 CEAELP C[NH2+]Cc1nc(C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000052419033 522152108 /nfs/dbraw/zinc/15/21/08/522152108.db2.gz JHVXSXHQPRLLRF-UHFFFAOYSA-N 2 2 273.405 2.421 10 0 CEAELP C[NH2+]Cc1nc(C[N@H+]2CCc3ccccc3C2)cs1 ZINC000052419033 522152112 /nfs/dbraw/zinc/15/21/12/522152112.db2.gz JHVXSXHQPRLLRF-UHFFFAOYSA-N 2 2 273.405 2.421 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757387 522650714 /nfs/dbraw/zinc/65/07/14/522650714.db2.gz MBXZQGKVWSSZCA-MCIONIFRSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757387 522650721 /nfs/dbraw/zinc/65/07/21/522650721.db2.gz MBXZQGKVWSSZCA-MCIONIFRSA-N 2 2 256.434 2.375 10 0 CEAELP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157499328 522695386 /nfs/dbraw/zinc/69/53/86/522695386.db2.gz NXVJYJAVYGSSFK-GOEBONIOSA-N 2 2 270.380 2.217 10 0 CEAELP COCCC[NH2+]CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000053522330 523374502 /nfs/dbraw/zinc/37/45/02/523374502.db2.gz HZOUNNGTUCBVML-UHFFFAOYSA-N 2 2 261.369 2.279 10 0 CEAELP C[N@H+](Cc1ccncc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883322 523462134 /nfs/dbraw/zinc/46/21/34/523462134.db2.gz RVUVAUBXXZLBRW-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1ccncc1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883322 523462139 /nfs/dbraw/zinc/46/21/39/523462139.db2.gz RVUVAUBXXZLBRW-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc2c1OCO2 ZINC000052205799 523798503 /nfs/dbraw/zinc/79/85/03/523798503.db2.gz BJLNBMLXCXVNGR-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP C[N@H+]1CCCC[C@H]1CC[NH2+]Cc1cccc2c1OCO2 ZINC000052205799 523798510 /nfs/dbraw/zinc/79/85/10/523798510.db2.gz BJLNBMLXCXVNGR-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP COc1ccc(C)cc1Cn1cc[nH+]c1C[C@H](C)[NH3+] ZINC000062802908 523818038 /nfs/dbraw/zinc/81/80/38/523818038.db2.gz BMLHTBAJKVUHBB-LBPRGKRZSA-N 2 2 259.353 2.138 10 0 CEAELP COCC[NH2+]C[C@@H](C)Cc1[nH+]cc(C)c(OC)c1C ZINC000054659923 523940452 /nfs/dbraw/zinc/94/04/52/523940452.db2.gz MSSSVSKFDYBILL-NSHDSACASA-N 2 2 266.385 2.122 10 0 CEAELP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000068628338 524579275 /nfs/dbraw/zinc/57/92/75/524579275.db2.gz SPFUUBNCIPGLMH-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382347 524653800 /nfs/dbraw/zinc/65/38/00/524653800.db2.gz PMSPICYIABFCHJ-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382347 524653814 /nfs/dbraw/zinc/65/38/14/524653814.db2.gz PMSPICYIABFCHJ-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757504 525006167 /nfs/dbraw/zinc/00/61/67/525006167.db2.gz IZWHFTXTYRQDBI-BZPMIXESSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757504 525006179 /nfs/dbraw/zinc/00/61/79/525006179.db2.gz IZWHFTXTYRQDBI-BZPMIXESSA-N 2 2 268.426 2.373 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCC(OC)CC2)cc1C ZINC000050596617 525178689 /nfs/dbraw/zinc/17/86/89/525178689.db2.gz XISUKFWBOGFPQQ-OAHLLOKOSA-N 2 2 278.396 2.114 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232448 525495462 /nfs/dbraw/zinc/49/54/62/525495462.db2.gz RSJABOUEVWIIOV-OLZOCXBDSA-N 2 2 298.377 2.462 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CC[NH+](C)C)CCO2 ZINC000049554312 525590139 /nfs/dbraw/zinc/59/01/39/525590139.db2.gz CDPGPAGYEWXLGT-SWLSCSKDSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1csc(C[NH2+]C[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000049539107 526356852 /nfs/dbraw/zinc/35/68/52/526356852.db2.gz ZDBISXDYNLPQCX-ZDUSSCGKSA-N 2 2 261.394 2.111 10 0 CEAELP c1coc(CC[NH2+]C[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000049147257 526566561 /nfs/dbraw/zinc/56/65/61/526566561.db2.gz PXYLFUHLKZNUOT-OAHLLOKOSA-N 2 2 256.349 2.126 10 0 CEAELP Cc1oc(C[N@@H+]2CCO[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382365 526770712 /nfs/dbraw/zinc/77/07/12/526770712.db2.gz ZOCPDYFMRSNLEG-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[N@H+]2CCO[C@@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382365 526770715 /nfs/dbraw/zinc/77/07/15/526770715.db2.gz ZOCPDYFMRSNLEG-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1[nH+]c2cc(N)ccc2n1CCCn1cc[nH+]c1 ZINC000052852194 527122385 /nfs/dbraw/zinc/12/23/85/527122385.db2.gz AFHNYCGAHPHKGC-UHFFFAOYSA-N 2 2 255.325 2.214 10 0 CEAELP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000384694274 574842028 /nfs/dbraw/zinc/84/20/28/574842028.db2.gz IZRBARXHANVEKB-HNNXBMFYSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000384694274 574842029 /nfs/dbraw/zinc/84/20/29/574842029.db2.gz IZRBARXHANVEKB-HNNXBMFYSA-N 2 2 282.815 2.195 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccs1 ZINC000133468406 652630885 /nfs/dbraw/zinc/63/08/85/652630885.db2.gz DQMCXQPUTZIVAD-GRYCIOLGSA-N 2 2 254.399 2.166 10 0 CEAELP Cc1cc(O)ccc1[C@@H]([NH3+])[C@H]([NH3+])c1ccc(O)cc1C ZINC000138969523 344391317 /nfs/dbraw/zinc/39/13/17/344391317.db2.gz SZNJKCOXAQRLQK-HZPDHXFCSA-N 2 2 272.348 2.414 10 0 CEAELP Cc1nc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000178519009 232374316 /nfs/dbraw/zinc/37/43/16/232374316.db2.gz WJKPFPGXRBWNEK-FZMZJTMJSA-N 2 2 297.468 2.257 10 0 CEAELP C[C@H]([NH3+])c1ccccc1Nc1cc[nH+]c(N(C)C)n1 ZINC000085432771 179060333 /nfs/dbraw/zinc/06/03/33/179060333.db2.gz ZKJUTLGNFAJJJT-JTQLQIEISA-N 2 2 257.341 2.306 10 0 CEAELP CC[C@@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000085495378 179082072 /nfs/dbraw/zinc/08/20/72/179082072.db2.gz XOLKQRVIKGNVSU-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@]1(C)C[N@@H+](C[C@@H]2CCCO2)[C@H](C(C)C)C[NH2+]1 ZINC000085495378 179082073 /nfs/dbraw/zinc/08/20/73/179082073.db2.gz XOLKQRVIKGNVSU-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP CCC1(CC)CN(CCn2cc[nH+]c2C)[C@@H](C2CC2)C[NH2+]1 ZINC000085519116 179087931 /nfs/dbraw/zinc/08/79/31/179087931.db2.gz NSLADRPGZCDBRW-MRXNPFEDSA-N 2 2 290.455 2.434 10 0 CEAELP COCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085498779 179082812 /nfs/dbraw/zinc/08/28/12/179082812.db2.gz GFMSFHJNMLURKF-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085498779 179082813 /nfs/dbraw/zinc/08/28/13/179082813.db2.gz GFMSFHJNMLURKF-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085498235 179083729 /nfs/dbraw/zinc/08/37/29/179083729.db2.gz LHXCHRGNTUNHLP-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085498235 179083731 /nfs/dbraw/zinc/08/37/31/179083731.db2.gz LHXCHRGNTUNHLP-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP CCOCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529223 179090758 /nfs/dbraw/zinc/09/07/58/179090758.db2.gz XGYLYTKINDQMLA-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529223 179090761 /nfs/dbraw/zinc/09/07/61/179090761.db2.gz XGYLYTKINDQMLA-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC(C)c1nc2c(n1CCCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573046 179098640 /nfs/dbraw/zinc/09/86/40/179098640.db2.gz VKKICWBWNUHHFK-UHFFFAOYSA-N 2 2 287.411 2.329 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000085613791 179103161 /nfs/dbraw/zinc/10/31/61/179103161.db2.gz DGGVRLOCUCOHBN-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)n1 ZINC000085613791 179103162 /nfs/dbraw/zinc/10/31/62/179103162.db2.gz DGGVRLOCUCOHBN-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218790 179250562 /nfs/dbraw/zinc/25/05/62/179250562.db2.gz CIKLSYZWKKXNNX-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C1CCOCC1 ZINC000086218790 179250563 /nfs/dbraw/zinc/25/05/63/179250563.db2.gz CIKLSYZWKKXNNX-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP CCC1(CC)C[N@H+]([C@@H]2CCC[C@@H]2OC)[C@@H](C)C[NH2+]1 ZINC000086261362 179259828 /nfs/dbraw/zinc/25/98/28/179259828.db2.gz YHPCXOTXCJCGJE-MJBXVCDLSA-N 2 2 254.418 2.406 10 0 CEAELP CCC1(CC)C[N@@H+]([C@@H]2CCC[C@@H]2OC)[C@@H](C)C[NH2+]1 ZINC000086261362 179259830 /nfs/dbraw/zinc/25/98/30/179259830.db2.gz YHPCXOTXCJCGJE-MJBXVCDLSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@]1(C)CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264800 179261091 /nfs/dbraw/zinc/26/10/91/179261091.db2.gz HRKVPQDIOKFHTM-ZFWWWQNUSA-N 2 2 264.417 2.019 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1[C@@H]1CCCOC1 ZINC000086265251 179262455 /nfs/dbraw/zinc/26/24/55/179262455.db2.gz BBXJXJSDXZVUHB-CABCVRRESA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1[C@@H]1CCCOC1 ZINC000086265251 179262459 /nfs/dbraw/zinc/26/24/59/179262459.db2.gz BBXJXJSDXZVUHB-CABCVRRESA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291485 179266065 /nfs/dbraw/zinc/26/60/65/179266065.db2.gz NBWXRBNSOIFAGC-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291485 179266068 /nfs/dbraw/zinc/26/60/68/179266068.db2.gz NBWXRBNSOIFAGC-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)on1 ZINC000086292707 179266122 /nfs/dbraw/zinc/26/61/22/179266122.db2.gz GGQGGDMDAOWKEZ-UHFFFAOYSA-N 2 2 263.385 2.481 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)on1 ZINC000086292707 179266126 /nfs/dbraw/zinc/26/61/26/179266126.db2.gz GGQGGDMDAOWKEZ-UHFFFAOYSA-N 2 2 263.385 2.481 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266514 /nfs/dbraw/zinc/26/65/14/179266514.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266515 /nfs/dbraw/zinc/26/65/15/179266515.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266517 /nfs/dbraw/zinc/26/65/17/179266517.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@H+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266518 /nfs/dbraw/zinc/26/65/18/179266518.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291479 179266915 /nfs/dbraw/zinc/26/69/15/179266915.db2.gz FCDHNDUEGVBPSL-UHFFFAOYSA-N 3 2 267.461 2.182 10 0 CEAELP CCC1(CC)C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291479 179266917 /nfs/dbraw/zinc/26/69/17/179266917.db2.gz FCDHNDUEGVBPSL-UHFFFAOYSA-N 3 2 267.461 2.182 10 0 CEAELP CCC1(CC)C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296450 179268034 /nfs/dbraw/zinc/26/80/34/179268034.db2.gz DVOFEUQCONMLNC-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296450 179268035 /nfs/dbraw/zinc/26/80/35/179268035.db2.gz DVOFEUQCONMLNC-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296393 179268039 /nfs/dbraw/zinc/26/80/39/179268039.db2.gz NYVCRXNCUHQWEM-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296393 179268040 /nfs/dbraw/zinc/26/80/40/179268040.db2.gz NYVCRXNCUHQWEM-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297900 179268975 /nfs/dbraw/zinc/26/89/75/179268975.db2.gz YTJWSAOKYOKQNV-CQSZACIVSA-N 2 2 267.442 2.396 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297900 179268979 /nfs/dbraw/zinc/26/89/79/179268979.db2.gz YTJWSAOKYOKQNV-CQSZACIVSA-N 2 2 267.442 2.396 10 0 CEAELP C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000086629275 179313453 /nfs/dbraw/zinc/31/34/53/179313453.db2.gz NIFTVVQZNAGQGR-OLZOCXBDSA-N 2 2 259.353 2.151 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000086845114 179355806 /nfs/dbraw/zinc/35/58/06/179355806.db2.gz SLWSZQDBCODOIF-GFCCVEGCSA-N 2 2 253.415 2.496 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000086845114 179355809 /nfs/dbraw/zinc/35/58/09/179355809.db2.gz SLWSZQDBCODOIF-GFCCVEGCSA-N 2 2 253.415 2.496 10 0 CEAELP CC[N@@H+]1CCC[C@H](NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000086836143 179350335 /nfs/dbraw/zinc/35/03/35/179350335.db2.gz LJTGOVYBHNSOCK-GJZGRUSLSA-N 2 2 279.428 2.346 10 0 CEAELP CC[N@H+]1CCC[C@H](NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000086836143 179350337 /nfs/dbraw/zinc/35/03/37/179350337.db2.gz LJTGOVYBHNSOCK-GJZGRUSLSA-N 2 2 279.428 2.346 10 0 CEAELP CC[N@@H+]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838374 179351321 /nfs/dbraw/zinc/35/13/21/179351321.db2.gz YKGYGMZCZLBKOD-CYBMUJFWSA-N 2 2 262.401 2.434 10 0 CEAELP CC[N@H+]1CCC[C@@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838374 179351324 /nfs/dbraw/zinc/35/13/24/179351324.db2.gz YKGYGMZCZLBKOD-CYBMUJFWSA-N 2 2 262.401 2.434 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000086842590 179353422 /nfs/dbraw/zinc/35/34/22/179353422.db2.gz ATXOQSHSHWBGOO-GFCCVEGCSA-N 2 2 253.415 2.496 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000086842590 179353423 /nfs/dbraw/zinc/35/34/23/179353423.db2.gz ATXOQSHSHWBGOO-GFCCVEGCSA-N 2 2 253.415 2.496 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C)on2)CC1 ZINC000086843483 179353631 /nfs/dbraw/zinc/35/36/31/179353631.db2.gz LESRZPJHWCSXNO-ZDUSSCGKSA-N 2 2 251.374 2.337 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cc(C)on2)CC1 ZINC000086843483 179353632 /nfs/dbraw/zinc/35/36/32/179353632.db2.gz LESRZPJHWCSXNO-ZDUSSCGKSA-N 2 2 251.374 2.337 10 0 CEAELP Cn1c2c(cccc2F)[nH+]c1N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334994766 282589326 /nfs/dbraw/zinc/58/93/26/282589326.db2.gz HQSLPENHIDANET-LBPRGKRZSA-N 2 2 276.359 2.276 10 0 CEAELP CCC[C@H]1CCC[C@@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952245 179368897 /nfs/dbraw/zinc/36/88/97/179368897.db2.gz ATFRPCCYEIIOFE-LSDHHAIUSA-N 2 2 256.434 2.249 10 0 CEAELP CC(C)(C)[C@@H]1CCC[C@@](C(N)=O)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086959767 179368907 /nfs/dbraw/zinc/36/89/07/179368907.db2.gz MMCSKCYXFJALDN-RHSMWYFYSA-N 2 2 295.471 2.132 10 0 CEAELP CC(C)(C)[C@@H]1CCC[C@@](C(N)=O)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086959767 179368909 /nfs/dbraw/zinc/36/89/09/179368909.db2.gz MMCSKCYXFJALDN-RHSMWYFYSA-N 2 2 295.471 2.132 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H]([NH3+])[C@@H]2CCCOC2)c1C ZINC000087814065 179490953 /nfs/dbraw/zinc/49/09/53/179490953.db2.gz NJRDWYHURKFKEB-CHWSQXEVSA-N 2 2 264.369 2.003 10 0 CEAELP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000089451769 539717080 /nfs/dbraw/zinc/71/70/80/539717080.db2.gz MQCRNMOCXQJLCA-DOMZBBRYSA-N 2 2 284.363 2.186 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874402 180049717 /nfs/dbraw/zinc/04/97/17/180049717.db2.gz IJCWUEZQFGTYTE-LSDHHAIUSA-N 2 2 262.397 2.166 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875361 180051294 /nfs/dbraw/zinc/05/12/94/180051294.db2.gz SQYNORSSTOOKAO-CVEARBPZSA-N 2 2 272.392 2.207 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875361 180051296 /nfs/dbraw/zinc/05/12/96/180051296.db2.gz SQYNORSSTOOKAO-CVEARBPZSA-N 2 2 272.392 2.207 10 0 CEAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893475 180055402 /nfs/dbraw/zinc/05/54/02/180055402.db2.gz NSGCYPMAUIEEKY-UGFHNGPFSA-N 2 2 278.371 2.331 10 0 CEAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893475 180055404 /nfs/dbraw/zinc/05/54/04/180055404.db2.gz NSGCYPMAUIEEKY-UGFHNGPFSA-N 2 2 278.371 2.331 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907446 180061156 /nfs/dbraw/zinc/06/11/56/180061156.db2.gz GBMHLGWFPHSOCA-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907446 180061157 /nfs/dbraw/zinc/06/11/57/180061157.db2.gz GBMHLGWFPHSOCA-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP Fc1cc2[nH]c(C[C@@H]3CSCC[NH2+]3)[nH+]c2cc1F ZINC000091128494 180100224 /nfs/dbraw/zinc/10/02/24/180100224.db2.gz SMVFCFKEDUPLPI-SSDOTTSWSA-N 2 2 269.320 2.089 10 0 CEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000091321524 180134638 /nfs/dbraw/zinc/13/46/38/180134638.db2.gz XVENYUTZZQUWNY-AWEZNQCLSA-N 2 2 297.487 2.377 10 0 CEAELP CC(C)(C)N1C(=O)CC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275546 180119123 /nfs/dbraw/zinc/11/91/23/180119123.db2.gz VTRFWJPVOIIDSM-SMDDNHRTSA-N 2 2 276.384 2.007 10 0 CEAELP CCC[NH2+][C@H]1COc2cc(OCc3c[nH+]cn3C)ccc21 ZINC000091278471 180121184 /nfs/dbraw/zinc/12/11/84/180121184.db2.gz FNVNZUYUUCCMBB-HNNXBMFYSA-N 2 2 287.363 2.432 10 0 CEAELP CC[C@@H]([NH2+]CC[C@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292343 180123453 /nfs/dbraw/zinc/12/34/53/180123453.db2.gz YHLADYMMMHYWOX-WDEREUQCSA-N 2 2 271.455 2.279 10 0 CEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460934 180161879 /nfs/dbraw/zinc/16/18/79/180161879.db2.gz GQSQVRJYPYMZRI-DBRPNBKGSA-N 2 2 268.788 2.043 10 0 CEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000091460934 180161880 /nfs/dbraw/zinc/16/18/80/180161880.db2.gz GQSQVRJYPYMZRI-DBRPNBKGSA-N 2 2 268.788 2.043 10 0 CEAELP CC(C)([C@@H](N)c1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567876 180194858 /nfs/dbraw/zinc/19/48/58/180194858.db2.gz XFXQNGWYVREEPW-AWEZNQCLSA-N 2 2 262.401 2.318 10 0 CEAELP CCC[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@@](C)(CC)[NH+](C)C ZINC000091571753 180196095 /nfs/dbraw/zinc/19/60/95/180196095.db2.gz QIIRGBCTOGAUQA-GDBMZVCRSA-N 3 2 278.444 2.305 10 0 CEAELP CC[C@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)[NH+](C)C)n1 ZINC000091528614 180180666 /nfs/dbraw/zinc/18/06/66/180180666.db2.gz CIKQGZPYNGAORK-GXTWGEPZSA-N 2 2 266.433 2.325 10 0 CEAELP CC(C)([C@H]([NH3+])Cc1ccncc1Cl)[NH+]1CCCC1 ZINC000091533732 180181649 /nfs/dbraw/zinc/18/16/49/180181649.db2.gz PYIWJJUMBMKYLK-CYBMUJFWSA-N 2 2 267.804 2.479 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535159 180182303 /nfs/dbraw/zinc/18/23/03/180182303.db2.gz LJMGQDXDGAIXMK-CQSZACIVSA-N 3 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCC1 ZINC000091535159 180182304 /nfs/dbraw/zinc/18/23/04/180182304.db2.gz LJMGQDXDGAIXMK-CQSZACIVSA-N 2 2 276.428 2.059 10 0 CEAELP CC1CCC([C@H]([NH3+])C2CCOCC2)([NH+](C)C)CC1 ZINC000091648703 180216490 /nfs/dbraw/zinc/21/64/90/180216490.db2.gz MDLSGJVYPLSKRS-HNFVBEJKSA-N 2 2 254.418 2.251 10 0 CEAELP CN[C@H](Cc1c[nH+]ccc1N)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652617 180217099 /nfs/dbraw/zinc/21/70/99/180217099.db2.gz NTWKJIRFGPJXHY-XYPHTWIQSA-N 2 2 290.455 2.305 10 0 CEAELP CC[NH2+][C@@H](Cc1cc(Cl)ccc1OC)C[NH+](C)C ZINC000091719734 180234240 /nfs/dbraw/zinc/23/42/40/180234240.db2.gz GLRMKRCWSGQPTL-ZDUSSCGKSA-N 2 2 270.804 2.431 10 0 CEAELP CCC[NH2+][C@H](Cc1c(Cl)c(CC)nn1C)C[NH+](C)C ZINC000091719965 180235038 /nfs/dbraw/zinc/23/50/38/180235038.db2.gz XCCVAIICXISREY-LLVKDONJSA-N 2 2 286.851 2.108 10 0 CEAELP CCC[NH2+]C[C@H](C)Cc1c(C)nc(C[NH+](C)C)nc1C ZINC000091723813 180241414 /nfs/dbraw/zinc/24/14/14/180241414.db2.gz PXNOQDXVPZPVPJ-GFCCVEGCSA-N 2 2 278.444 2.333 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000091723815 180241931 /nfs/dbraw/zinc/24/19/31/180241931.db2.gz WFYLRFPBSLRHSE-GFCCVEGCSA-N 2 2 278.444 2.332 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000091926164 180287548 /nfs/dbraw/zinc/28/75/48/180287548.db2.gz POMMJZBAZYRXIS-DLBZAZTESA-N 2 2 285.391 2.169 10 0 CEAELP [NH3+]C[C@@]1([C@H](O)c2c[nH+]cn2C2CC2)CCc2ccccc21 ZINC000091926582 180287655 /nfs/dbraw/zinc/28/76/55/180287655.db2.gz JXEOMERSFGNWPC-SJORKVTESA-N 2 2 283.375 2.094 10 0 CEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2ccc(F)cc2s1 ZINC000091939599 180289391 /nfs/dbraw/zinc/28/93/91/180289391.db2.gz CMRWMGWKHBVUER-SECBINFHSA-N 2 2 262.313 2.401 10 0 CEAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nc2ccc(F)cc2s1 ZINC000091939599 180289393 /nfs/dbraw/zinc/28/93/93/180289393.db2.gz CMRWMGWKHBVUER-SECBINFHSA-N 2 2 262.313 2.401 10 0 CEAELP CC[NH2+][C@H](C)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054202 180314259 /nfs/dbraw/zinc/31/42/59/180314259.db2.gz MAOBVCIZUFGJDS-KGLIPLIRSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054202 180314262 /nfs/dbraw/zinc/31/42/62/180314262.db2.gz MAOBVCIZUFGJDS-KGLIPLIRSA-N 2 2 278.396 2.067 10 0 CEAELP COCc1cccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092082712 180319205 /nfs/dbraw/zinc/31/92/05/180319205.db2.gz JLMKYQSNUNVRHB-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP COCc1cccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092082712 180319209 /nfs/dbraw/zinc/31/92/09/180319209.db2.gz JLMKYQSNUNVRHB-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP C[N@H+](Cc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863081 186080494 /nfs/dbraw/zinc/08/04/94/186080494.db2.gz XGPGSYMHENDRFF-UHFFFAOYSA-N 2 2 298.434 2.480 10 0 CEAELP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863081 186080495 /nfs/dbraw/zinc/08/04/95/186080495.db2.gz XGPGSYMHENDRFF-UHFFFAOYSA-N 2 2 298.434 2.480 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 ZINC000092271378 180356218 /nfs/dbraw/zinc/35/62/18/180356218.db2.gz WPERWTDVMGLRLE-DGCLKSJQSA-N 2 2 273.405 2.490 10 0 CEAELP CC[NH2+]CC[N@H+](C)C[C@H]1CSc2ccccc21 ZINC000092288519 180357839 /nfs/dbraw/zinc/35/78/39/180357839.db2.gz MVBAYYLSQRJYAC-LBPRGKRZSA-N 2 2 250.411 2.417 10 0 CEAELP CC[NH2+]CC[N@@H+](C)C[C@H]1CSc2ccccc21 ZINC000092288519 180357841 /nfs/dbraw/zinc/35/78/41/180357841.db2.gz MVBAYYLSQRJYAC-LBPRGKRZSA-N 2 2 250.411 2.417 10 0 CEAELP C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc32)[C@@H](C)CC[NH2+]1 ZINC000092307414 180360746 /nfs/dbraw/zinc/36/07/46/180360746.db2.gz HCSIHLLBEJRNSJ-HZSPNIEDSA-N 2 2 260.381 2.235 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc32)[C@@H](C)CC[NH2+]1 ZINC000092307414 180360748 /nfs/dbraw/zinc/36/07/48/180360748.db2.gz HCSIHLLBEJRNSJ-HZSPNIEDSA-N 2 2 260.381 2.235 10 0 CEAELP Cc1cc(C[N@H+](CC[NH3+])C2CC2)c2ccccc2n1 ZINC000092347497 180367156 /nfs/dbraw/zinc/36/71/56/180367156.db2.gz WHZJPPXGPSITIX-UHFFFAOYSA-N 2 2 255.365 2.466 10 0 CEAELP Cc1cc(C[N@@H+](CC[NH3+])C2CC2)c2ccccc2n1 ZINC000092347497 180367159 /nfs/dbraw/zinc/36/71/59/180367159.db2.gz WHZJPPXGPSITIX-UHFFFAOYSA-N 2 2 255.365 2.466 10 0 CEAELP Cc1cc(NC(=O)c2ccc(CC[NH3+])cc2)cc[nH+]1 ZINC000092349811 180367305 /nfs/dbraw/zinc/36/73/05/180367305.db2.gz YYDAUJAOXVGHPC-UHFFFAOYSA-N 2 2 255.321 2.144 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366941 180369454 /nfs/dbraw/zinc/36/94/54/180369454.db2.gz BVPGTUSOHTZSSY-PWSUYJOCSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366941 180369455 /nfs/dbraw/zinc/36/94/55/180369455.db2.gz BVPGTUSOHTZSSY-PWSUYJOCSA-N 2 2 265.788 2.165 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](CC)CCOC)c1 ZINC000092418681 180380808 /nfs/dbraw/zinc/38/08/08/180380808.db2.gz NXRLEYPQMLQXLH-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](CC)CCOC)c1 ZINC000092418681 180380810 /nfs/dbraw/zinc/38/08/10/180380810.db2.gz NXRLEYPQMLQXLH-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000092419285 180382545 /nfs/dbraw/zinc/38/25/45/180382545.db2.gz STZRZZMVWAVCLK-LLVKDONJSA-N 2 2 251.399 2.451 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCSC[C@H]2C)c1 ZINC000092419285 180382549 /nfs/dbraw/zinc/38/25/49/180382549.db2.gz STZRZZMVWAVCLK-LLVKDONJSA-N 2 2 251.399 2.451 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([NH2+]CC1CC1)CCC2 ZINC000092384836 180374192 /nfs/dbraw/zinc/37/41/92/180374192.db2.gz UEXGLVIQOZSHJI-MRXNPFEDSA-N 2 2 260.381 2.185 10 0 CEAELP c1ccc2c(NCC[C@@H]3CCC[NH2+]C3)cn[nH+]c2c1 ZINC000110793285 186325435 /nfs/dbraw/zinc/32/54/35/186325435.db2.gz UVHAIOKVTXYJGN-LBPRGKRZSA-N 2 2 256.353 2.431 10 0 CEAELP C[N@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931373 186333922 /nfs/dbraw/zinc/33/39/22/186333922.db2.gz JDWBLPGXLBOLGB-CQSZACIVSA-N 2 2 266.360 2.278 10 0 CEAELP C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110931373 186333924 /nfs/dbraw/zinc/33/39/24/186333924.db2.gz JDWBLPGXLBOLGB-CQSZACIVSA-N 2 2 266.360 2.278 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)c1cccc(CC[NH3+])c1 ZINC000111043067 186347392 /nfs/dbraw/zinc/34/73/92/186347392.db2.gz VLAAETQOUCLVOZ-UHFFFAOYSA-N 2 2 255.321 2.144 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000111158240 186362718 /nfs/dbraw/zinc/36/27/18/186362718.db2.gz PAPBXLGFKCNNQM-GOEBONIOSA-N 2 2 292.423 2.362 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1C ZINC000111158240 186362720 /nfs/dbraw/zinc/36/27/20/186362720.db2.gz PAPBXLGFKCNNQM-GOEBONIOSA-N 2 2 292.423 2.362 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156071 186363055 /nfs/dbraw/zinc/36/30/55/186363055.db2.gz CVUXKFRSPUJZOK-CXAGYDPISA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156071 186363057 /nfs/dbraw/zinc/36/30/57/186363057.db2.gz CVUXKFRSPUJZOK-CXAGYDPISA-N 2 2 292.423 2.442 10 0 CEAELP CCOCCN(CC)c1[nH+]c(C)cc(C)c1C[NH3+] ZINC000111116238 186353364 /nfs/dbraw/zinc/35/33/64/186353364.db2.gz RPCQKLGZVSVWPE-UHFFFAOYSA-N 2 2 251.374 2.020 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000111117086 186354336 /nfs/dbraw/zinc/35/43/36/186354336.db2.gz CQRJBNGOEUROPA-CQSZACIVSA-N 2 2 254.349 2.184 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000111117086 186354338 /nfs/dbraw/zinc/35/43/38/186354338.db2.gz CQRJBNGOEUROPA-CQSZACIVSA-N 2 2 254.349 2.184 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117865 186355239 /nfs/dbraw/zinc/35/52/39/186355239.db2.gz DTHDOHJENNTTBG-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117865 186355241 /nfs/dbraw/zinc/35/52/41/186355241.db2.gz DTHDOHJENNTTBG-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOc1ccc([C@H](C)[NH3+])cc1C[N@H+](C)CCC[NH+](C)C ZINC000111136421 186357381 /nfs/dbraw/zinc/35/73/81/186357381.db2.gz XRBYAMPJWMICCM-AWEZNQCLSA-N 3 2 293.455 2.489 10 0 CEAELP CCOc1ccc([C@H](C)[NH3+])cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111136421 186357383 /nfs/dbraw/zinc/35/73/83/186357383.db2.gz XRBYAMPJWMICCM-AWEZNQCLSA-N 3 2 293.455 2.489 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154973 186360282 /nfs/dbraw/zinc/36/02/82/186360282.db2.gz RLLVKXUCDXPRHV-MBNYWOFBSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154973 186360284 /nfs/dbraw/zinc/36/02/84/186360284.db2.gz RLLVKXUCDXPRHV-MBNYWOFBSA-N 2 2 268.426 2.495 10 0 CEAELP CCc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366203 351713304 /nfs/dbraw/zinc/71/33/04/351713304.db2.gz UICQINMPYMVRFK-HOTGVXAUSA-N 2 2 262.397 2.187 10 0 CEAELP CCc1ccc(C[N@H+]2C[C@@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366203 351713309 /nfs/dbraw/zinc/71/33/09/351713309.db2.gz UICQINMPYMVRFK-HOTGVXAUSA-N 2 2 262.397 2.187 10 0 CEAELP COc1ccc[nH+]c1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000630549873 351780869 /nfs/dbraw/zinc/78/08/69/351780869.db2.gz FAHDCEZVWUUEEN-CQSZACIVSA-N 2 2 271.364 2.462 10 0 CEAELP COc1ccc[nH+]c1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000630517552 351769455 /nfs/dbraw/zinc/76/94/55/351769455.db2.gz SGVMWRRRCRRICM-AWEZNQCLSA-N 2 2 275.396 2.306 10 0 CEAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000132846645 187650350 /nfs/dbraw/zinc/65/03/50/187650350.db2.gz GLSMQXABTJVXEH-GJZGRUSLSA-N 2 2 275.396 2.261 10 0 CEAELP CC[N@@H+]1CCC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000079045180 363569355 /nfs/dbraw/zinc/56/93/55/363569355.db2.gz ZEFMSEFTHPILFP-LBPRGKRZSA-N 2 2 258.369 2.470 10 0 CEAELP CC[N@H+]1CCC[C@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000079045180 363569360 /nfs/dbraw/zinc/56/93/60/363569360.db2.gz ZEFMSEFTHPILFP-LBPRGKRZSA-N 2 2 258.369 2.470 10 0 CEAELP C[C@H]1C[C@@H](C[NH3+])CN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000216235580 538882623 /nfs/dbraw/zinc/88/26/23/538882623.db2.gz LHJKUMCJKUCICA-IUCAKERBSA-N 2 2 259.275 2.274 10 0 CEAELP c1csc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000135091599 366393713 /nfs/dbraw/zinc/39/37/13/366393713.db2.gz NCLNQNMKKUDJFC-GFCCVEGCSA-N 2 2 274.393 2.472 10 0 CEAELP c1csc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000135091599 366393716 /nfs/dbraw/zinc/39/37/16/366393716.db2.gz NCLNQNMKKUDJFC-GFCCVEGCSA-N 2 2 274.393 2.472 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277585 366637155 /nfs/dbraw/zinc/63/71/55/366637155.db2.gz BWCJZAWATYGCLA-OLZOCXBDSA-N 2 2 297.830 2.232 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000177058517 189025616 /nfs/dbraw/zinc/02/56/16/189025616.db2.gz RMCGLDWFIQKNEF-CYBMUJFWSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000177058517 189025617 /nfs/dbraw/zinc/02/56/17/189025617.db2.gz RMCGLDWFIQKNEF-CYBMUJFWSA-N 2 2 273.384 2.016 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000178316961 189106611 /nfs/dbraw/zinc/10/66/11/189106611.db2.gz RZVBNEKMYUZRJX-OAHLLOKOSA-N 2 2 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CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000176921937 368255375 /nfs/dbraw/zinc/25/53/75/368255375.db2.gz ZXMZZJJPKGDULD-VXGBXAGGSA-N 2 2 283.803 2.016 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000346383299 368658933 /nfs/dbraw/zinc/65/89/33/368658933.db2.gz XIXGJCBAJRYOAL-HOCLYGCPSA-N 2 2 289.354 2.085 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346383299 368658935 /nfs/dbraw/zinc/65/89/35/368658935.db2.gz XIXGJCBAJRYOAL-HOCLYGCPSA-N 2 2 289.354 2.085 10 0 CEAELP C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000216235534 370183982 /nfs/dbraw/zinc/18/39/82/370183982.db2.gz LHJKUMCJKUCICA-BDAKNGLRSA-N 2 2 259.275 2.274 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)[C@@H]1C ZINC000231668403 370485138 /nfs/dbraw/zinc/48/51/38/370485138.db2.gz WGOANOQNRZGZJM-FPCVCCKLSA-N 2 2 295.471 2.001 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)[C@@H]1C ZINC000231668403 370485145 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Cc1ccc([C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261642951 371688772 /nfs/dbraw/zinc/68/87/72/371688772.db2.gz FRURKZMOQFUAFM-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1ccc([C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261642951 371688777 /nfs/dbraw/zinc/68/87/77/371688777.db2.gz FRURKZMOQFUAFM-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644320 371689307 /nfs/dbraw/zinc/68/93/07/371689307.db2.gz ANDXWFSJNSNIJT-AXAPSJFSSA-N 2 2 296.361 2.072 10 0 CEAELP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644320 371689317 /nfs/dbraw/zinc/68/93/17/371689317.db2.gz ANDXWFSJNSNIJT-AXAPSJFSSA-N 2 2 296.361 2.072 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262048373 371811532 /nfs/dbraw/zinc/81/15/32/371811532.db2.gz QAAUTUQZHOSCGA-SJCJKPOMSA-N 2 2 284.407 2.268 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262048373 371811533 /nfs/dbraw/zinc/81/15/33/371811533.db2.gz QAAUTUQZHOSCGA-SJCJKPOMSA-N 2 2 284.407 2.268 10 0 CEAELP CCOCc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OC ZINC000262118808 371825837 /nfs/dbraw/zinc/82/58/37/371825837.db2.gz XCBHRFLUIZUUJR-DOMZBBRYSA-N 2 2 278.396 2.011 10 0 CEAELP CCOCc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccc1OC ZINC000262118808 371825839 /nfs/dbraw/zinc/82/58/39/371825839.db2.gz XCBHRFLUIZUUJR-DOMZBBRYSA-N 2 2 278.396 2.011 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@H]2CC)nc(C)[nH+]1 ZINC000272865738 373685652 /nfs/dbraw/zinc/68/56/52/373685652.db2.gz MVZQISBTRGBRKS-HUUCEWRRSA-N 2 2 274.412 2.410 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)nc(C)[nH+]1 ZINC000272865738 373685658 /nfs/dbraw/zinc/68/56/58/373685658.db2.gz MVZQISBTRGBRKS-HUUCEWRRSA-N 2 2 274.412 2.410 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460854 375303676 /nfs/dbraw/zinc/30/36/76/375303676.db2.gz SCLBFMMJFOUHIQ-LBPRGKRZSA-N 2 2 276.409 2.322 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460854 375303679 /nfs/dbraw/zinc/30/36/79/375303679.db2.gz SCLBFMMJFOUHIQ-LBPRGKRZSA-N 2 2 276.409 2.322 10 0 CEAELP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)[N@H+](C)Cc1ccccc1 ZINC000390698913 375313057 /nfs/dbraw/zinc/31/30/57/375313057.db2.gz JIGUNNNHSRFNOY-DJIMGWMZSA-N 2 2 276.424 2.400 10 0 CEAELP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)[N@@H+](C)Cc1ccccc1 ZINC000390698913 375313062 /nfs/dbraw/zinc/31/30/62/375313062.db2.gz JIGUNNNHSRFNOY-DJIMGWMZSA-N 2 2 276.424 2.400 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000094144987 184756794 /nfs/dbraw/zinc/75/67/94/184756794.db2.gz ZQTSQZKHWMYGDP-LBPRGKRZSA-N 2 2 294.196 2.295 10 0 CEAELP C[NH2+][C@H](Cc1[nH+]ccn1C)[C@@H]1CCOc2ccccc21 ZINC000094162089 184757455 /nfs/dbraw/zinc/75/74/55/184757455.db2.gz MESVJVTYAQYGMW-TZMCWYRMSA-N 2 2 271.364 2.117 10 0 CEAELP CCC[NH2+][C@H](Cc1[nH+]ccn1CCC)[C@@H]1CCCO1 ZINC000094161301 184758111 /nfs/dbraw/zinc/75/81/11/184758111.db2.gz BARJNUCINNDDCY-KGLIPLIRSA-N 2 2 265.401 2.383 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH2+][C@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000252761795 296455430 /nfs/dbraw/zinc/45/54/30/296455430.db2.gz DLOBCOOWXQESFX-OWCLPIDISA-N 3 2 267.461 2.229 10 0 CEAELP COc1cccc(Cl)c1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400712780 533560924 /nfs/dbraw/zinc/56/09/24/533560924.db2.gz DVSANVXTLQVXSD-MNOVXSKESA-N 2 2 268.788 2.436 10 0 CEAELP CSC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903824 130036606 /nfs/dbraw/zinc/03/66/06/130036606.db2.gz WSDWWSRDAZTRSS-DOMZBBRYSA-N 2 2 291.420 2.247 10 0 CEAELP c1nc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)co1 ZINC000191939248 130333019 /nfs/dbraw/zinc/33/30/19/130333019.db2.gz KIYSMYPTQVQPAV-GFCCVEGCSA-N 2 2 258.325 2.004 10 0 CEAELP c1nc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)co1 ZINC000191939248 130333021 /nfs/dbraw/zinc/33/30/21/130333021.db2.gz KIYSMYPTQVQPAV-GFCCVEGCSA-N 2 2 258.325 2.004 10 0 CEAELP CCn1c[nH+]cc1[C@@H](C[NH3+])N1CCCc2ccccc21 ZINC000090174262 135062185 /nfs/dbraw/zinc/06/21/85/135062185.db2.gz INEJBYVPJAQSNU-OAHLLOKOSA-N 2 2 270.380 2.356 10 0 CEAELP Cc1cccc(N2CC[NH+](Cc3cc(N)cc[nH+]3)CC2)c1 ZINC000092418033 135076408 /nfs/dbraw/zinc/07/64/08/135076408.db2.gz GIHVKNZUVWIZFT-UHFFFAOYSA-N 2 2 282.391 2.294 10 0 CEAELP Cc1cc(C)cc(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557564 400144834 /nfs/dbraw/zinc/14/48/34/400144834.db2.gz NCXDRNQQQGUDSP-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557564 400144838 /nfs/dbraw/zinc/14/48/38/400144838.db2.gz NCXDRNQQQGUDSP-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOC(C)(C)C ZINC000178289901 165230142 /nfs/dbraw/zinc/23/01/42/165230142.db2.gz ORXROUCVEXXWKR-CQSZACIVSA-N 2 2 265.401 2.471 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOC(C)(C)C ZINC000178289901 165230144 /nfs/dbraw/zinc/23/01/44/165230144.db2.gz ORXROUCVEXXWKR-CQSZACIVSA-N 2 2 265.401 2.471 10 0 CEAELP CCCn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000180126902 165296191 /nfs/dbraw/zinc/29/61/91/165296191.db2.gz LARCGDFLEZWUTP-MRXNPFEDSA-N 2 2 287.411 2.463 10 0 CEAELP CCCn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000180126902 165296195 /nfs/dbraw/zinc/29/61/95/165296195.db2.gz LARCGDFLEZWUTP-MRXNPFEDSA-N 2 2 287.411 2.463 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)cc1OC ZINC000020226356 171091318 /nfs/dbraw/zinc/09/13/18/171091318.db2.gz RQNPZKGJNVTGPF-CYBMUJFWSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)cc1OC ZINC000020226356 171091320 /nfs/dbraw/zinc/09/13/20/171091320.db2.gz RQNPZKGJNVTGPF-CYBMUJFWSA-N 2 2 264.369 2.045 10 0 CEAELP c1cn(CCC[NH2+][C@H]2CCOc3ccccc32)c[nH+]1 ZINC000020506131 171228439 /nfs/dbraw/zinc/22/84/39/171228439.db2.gz JTFFZBIBNFMHLS-AWEZNQCLSA-N 2 2 257.337 2.387 10 0 CEAELP CC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052091 174063411 /nfs/dbraw/zinc/06/34/11/174063411.db2.gz NJWQJUHWCNDORM-LLVKDONJSA-N 2 2 287.201 2.409 10 0 CEAELP CC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052091 174063412 /nfs/dbraw/zinc/06/34/12/174063412.db2.gz NJWQJUHWCNDORM-LLVKDONJSA-N 2 2 287.201 2.409 10 0 CEAELP COc1ccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)cc1Br ZINC000038074059 174083768 /nfs/dbraw/zinc/08/37/68/174083768.db2.gz LLNZMFOYHSNRNE-SNVBAGLBSA-N 2 2 296.168 2.423 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000038087988 174100550 /nfs/dbraw/zinc/10/05/50/174100550.db2.gz YIQPIAQCEDFNES-KBPBESRZSA-N 3 2 255.450 2.037 10 0 CEAELP COCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040404877 174254095 /nfs/dbraw/zinc/25/40/95/174254095.db2.gz HMTCCSPHWVPOOW-UHFFFAOYSA-N 2 2 267.760 2.227 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510112 174304324 /nfs/dbraw/zinc/30/43/24/174304324.db2.gz KZUVUVWFILDUHC-GFCCVEGCSA-N 2 2 292.452 2.229 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510112 174304325 /nfs/dbraw/zinc/30/43/25/174304325.db2.gz KZUVUVWFILDUHC-GFCCVEGCSA-N 2 2 292.452 2.229 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638714 174363009 /nfs/dbraw/zinc/36/30/09/174363009.db2.gz HAJIVELLSQETDP-GFCCVEGCSA-N 2 2 259.353 2.322 10 0 CEAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671245 174368786 /nfs/dbraw/zinc/36/87/86/174368786.db2.gz SCQGSAJXVNYTLK-QGZVFWFLSA-N 2 2 289.467 2.233 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000040672702 174371489 /nfs/dbraw/zinc/37/14/89/174371489.db2.gz ZTKSVXOGDTWRAN-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672702 174371490 /nfs/dbraw/zinc/37/14/90/174371490.db2.gz ZTKSVXOGDTWRAN-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP Cc1cccn2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000040747043 174392668 /nfs/dbraw/zinc/39/26/68/174392668.db2.gz KFCQUPSDVBZVIC-MZBDJJRSSA-N 2 2 284.407 2.358 10 0 CEAELP Cc1cccn2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)nc12 ZINC000040747043 174392670 /nfs/dbraw/zinc/39/26/70/174392670.db2.gz KFCQUPSDVBZVIC-MZBDJJRSSA-N 2 2 284.407 2.358 10 0 CEAELP Cc1cccn2cc(CN(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000040747043 174392671 /nfs/dbraw/zinc/39/26/71/174392671.db2.gz KFCQUPSDVBZVIC-MZBDJJRSSA-N 2 2 284.407 2.358 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2cccs2)o1 ZINC000040750047 174395101 /nfs/dbraw/zinc/39/51/01/174395101.db2.gz FJERGAVFJGOGKQ-FGWVZKOKSA-N 2 2 290.392 2.252 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2cccs2)o1 ZINC000040750047 174395102 /nfs/dbraw/zinc/39/51/02/174395102.db2.gz FJERGAVFJGOGKQ-FGWVZKOKSA-N 2 2 290.392 2.252 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)cc1 ZINC000311453119 414860978 /nfs/dbraw/zinc/86/09/78/414860978.db2.gz JTNLBAZRFNFZHG-CZUORRHYSA-N 2 2 264.413 2.212 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)cc1 ZINC000311453119 414860985 /nfs/dbraw/zinc/86/09/85/414860985.db2.gz JTNLBAZRFNFZHG-CZUORRHYSA-N 2 2 264.413 2.212 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C2CC(CO)C2)n1-c1ccccc1 ZINC000657812072 415089554 /nfs/dbraw/zinc/08/95/54/415089554.db2.gz FNUSUTKPTBMGMP-UHFFFAOYSA-N 2 2 271.364 2.041 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccccn1 ZINC000043338987 175012975 /nfs/dbraw/zinc/01/29/75/175012975.db2.gz GVTKYZQAQCZRNH-DOTOQJQBSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccccn1 ZINC000043338987 175012977 /nfs/dbraw/zinc/01/29/77/175012977.db2.gz GVTKYZQAQCZRNH-DOTOQJQBSA-N 2 2 284.407 2.430 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@H](C[NH3+])c1ccncc1 ZINC000043354918 175023176 /nfs/dbraw/zinc/02/31/76/175023176.db2.gz VSQZLDGCWMKPGS-OAHLLOKOSA-N 2 2 252.321 2.288 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818912 175113825 /nfs/dbraw/zinc/11/38/25/175113825.db2.gz NLDXYYXTQNAOCL-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818912 175113826 /nfs/dbraw/zinc/11/38/26/175113826.db2.gz NLDXYYXTQNAOCL-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)C1CC1)OCCO2 ZINC000043822288 175114656 /nfs/dbraw/zinc/11/46/56/175114656.db2.gz SQKCRYPZMCHTBK-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)C1CC1)OCCO2 ZINC000043822288 175114659 /nfs/dbraw/zinc/11/46/59/175114659.db2.gz SQKCRYPZMCHTBK-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898148 175121297 /nfs/dbraw/zinc/12/12/97/175121297.db2.gz ZBZIASGUDIVLPC-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898148 175121298 /nfs/dbraw/zinc/12/12/98/175121298.db2.gz ZBZIASGUDIVLPC-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966048 175127038 /nfs/dbraw/zinc/12/70/38/175127038.db2.gz NSCVOAMHKJVSIA-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966048 175127039 /nfs/dbraw/zinc/12/70/39/175127039.db2.gz NSCVOAMHKJVSIA-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1CCCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000044992699 175286675 /nfs/dbraw/zinc/28/66/75/175286675.db2.gz YZCFOFUFYYCLQL-ZNMIVQPWSA-N 2 2 254.418 2.144 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000045043483 175295721 /nfs/dbraw/zinc/29/57/21/175295721.db2.gz FOSKWFJWOYKQTE-CQSZACIVSA-N 2 2 268.426 2.466 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000045043483 175295723 /nfs/dbraw/zinc/29/57/23/175295723.db2.gz FOSKWFJWOYKQTE-CQSZACIVSA-N 2 2 268.426 2.466 10 0 CEAELP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045386433 175373142 /nfs/dbraw/zinc/37/31/42/175373142.db2.gz VAGMHVNWZRUYTA-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CC[N@@H+](CCCC[C@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045386433 175373144 /nfs/dbraw/zinc/37/31/44/175373144.db2.gz VAGMHVNWZRUYTA-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000071124740 176034819 /nfs/dbraw/zinc/03/48/19/176034819.db2.gz MCDBDWXFDMCGKW-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP COCC[N@H+](C1CC1)[C@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000071169187 176049911 /nfs/dbraw/zinc/04/99/11/176049911.db2.gz KNZOKKWQBJECIH-KRWDZBQOSA-N 2 2 292.423 2.066 10 0 CEAELP COCC[N@@H+](C1CC1)[C@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000071169187 176049912 /nfs/dbraw/zinc/04/99/12/176049912.db2.gz KNZOKKWQBJECIH-KRWDZBQOSA-N 2 2 292.423 2.066 10 0 CEAELP COc1ccc(C[C@](C)(C[NH3+])[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000071169178 176050086 /nfs/dbraw/zinc/05/00/86/176050086.db2.gz DFFNTAVSQZWSES-DLBZAZTESA-N 2 2 292.423 2.066 10 0 CEAELP COc1ccc(C[C@](C)(C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000071169178 176050087 /nfs/dbraw/zinc/05/00/87/176050087.db2.gz DFFNTAVSQZWSES-DLBZAZTESA-N 2 2 292.423 2.066 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191400 176069982 /nfs/dbraw/zinc/06/99/82/176069982.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191400 176069983 /nfs/dbraw/zinc/06/99/83/176069983.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191400 176069984 /nfs/dbraw/zinc/06/99/84/176069984.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191400 176069986 /nfs/dbraw/zinc/06/99/86/176069986.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP COc1ccc(CC[N@@H+]2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197908 176076887 /nfs/dbraw/zinc/07/68/87/176076887.db2.gz CRMBDXUPUWYMMM-MRXNPFEDSA-N 2 2 274.408 2.454 10 0 CEAELP COc1ccc(CC[N@H+]2CCC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197908 176076888 /nfs/dbraw/zinc/07/68/88/176076888.db2.gz CRMBDXUPUWYMMM-MRXNPFEDSA-N 2 2 274.408 2.454 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199359 176077100 /nfs/dbraw/zinc/07/71/00/176077100.db2.gz GCDZNPCVJMYPOG-HOTGVXAUSA-N 2 2 274.408 2.453 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199359 176077101 /nfs/dbraw/zinc/07/71/01/176077101.db2.gz GCDZNPCVJMYPOG-HOTGVXAUSA-N 2 2 274.408 2.453 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268929 176102911 /nfs/dbraw/zinc/10/29/11/176102911.db2.gz QPFYONOXVLEXJW-SNVBAGLBSA-N 2 2 258.300 2.252 10 0 CEAELP CC[N@H+](Cc1ccc2ncccc2c1)[C@H]1CC[NH2+]C1 ZINC000071314007 176120491 /nfs/dbraw/zinc/12/04/91/176120491.db2.gz JTRMJTZNSUEVSR-HNNXBMFYSA-N 2 2 255.365 2.419 10 0 CEAELP CC[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CC[NH2+]C1 ZINC000071314007 176120492 /nfs/dbraw/zinc/12/04/92/176120492.db2.gz JTRMJTZNSUEVSR-HNNXBMFYSA-N 2 2 255.365 2.419 10 0 CEAELP CC[C@H]1CN(CCCn2cc[nH+]c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071345566 176131339 /nfs/dbraw/zinc/13/13/39/176131339.db2.gz WCKWKJOQCRBBNH-JKSUJKDBSA-N 2 2 276.428 2.126 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CCC[C@H](CC[NH3+])C1 ZINC000079048684 177421710 /nfs/dbraw/zinc/42/17/10/177421710.db2.gz YZWNIFFFTYRHOA-GFCCVEGCSA-N 2 2 258.369 2.139 10 0 CEAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396531983 270349170 /nfs/dbraw/zinc/34/91/70/270349170.db2.gz HPRNFAXJTPWZOM-MQIPJXDCSA-N 2 2 275.396 2.436 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250854415 275070572 /nfs/dbraw/zinc/07/05/72/275070572.db2.gz OQKDNFXVWXNZBB-IPYPFGDCSA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250854415 275070573 /nfs/dbraw/zinc/07/05/73/275070573.db2.gz OQKDNFXVWXNZBB-IPYPFGDCSA-N 2 2 258.365 2.337 10 0 CEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184567001 280117302 /nfs/dbraw/zinc/11/73/02/280117302.db2.gz ODGSCFJVIYYMNV-UONOGXRCSA-N 2 2 283.379 2.367 10 0 CEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184567001 280117307 /nfs/dbraw/zinc/11/73/07/280117307.db2.gz ODGSCFJVIYYMNV-UONOGXRCSA-N 2 2 283.379 2.367 10 0 CEAELP Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302046564 282012285 /nfs/dbraw/zinc/01/22/85/282012285.db2.gz LBAXXTRZUGTZJM-OCCSQVGLSA-N 2 2 286.423 2.337 10 0 CEAELP Cc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302046564 282012286 /nfs/dbraw/zinc/01/22/86/282012286.db2.gz LBAXXTRZUGTZJM-OCCSQVGLSA-N 2 2 286.423 2.337 10 0 CEAELP CC1CCC(C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000156650200 289200041 /nfs/dbraw/zinc/20/00/41/289200041.db2.gz XZPXXDWXPYJYGA-NRXISQOPSA-N 2 2 254.418 2.075 10 0 CEAELP CC(C)N1CC[NH+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052480041 519682068 /nfs/dbraw/zinc/68/20/68/519682068.db2.gz VBBGWHHJRJALDD-UHFFFAOYSA-N 2 2 287.407 2.418 10 0 CEAELP CC(=O)Nc1ccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195311 519717873 /nfs/dbraw/zinc/71/78/73/519717873.db2.gz UGSAPSGUUMSYRX-MRXNPFEDSA-N 2 2 277.412 2.321 10 0 CEAELP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419885 519720830 /nfs/dbraw/zinc/72/08/30/519720830.db2.gz ZVKMREPYLQDDGM-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+]CCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419885 519720832 /nfs/dbraw/zinc/72/08/32/519720832.db2.gz ZVKMREPYLQDDGM-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CCC[NH+]1CCC(n2c3ccc(N)cc3[nH+]c2CO)CC1 ZINC000053737496 519848285 /nfs/dbraw/zinc/84/82/85/519848285.db2.gz IVSVXTRDQRCWRZ-UHFFFAOYSA-N 2 2 288.395 2.158 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061232862 519966478 /nfs/dbraw/zinc/96/64/78/519966478.db2.gz LIWYXHYQAIQHBQ-NSHDSACASA-N 2 2 272.352 2.261 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@@H+]1CCOCC1(C)C ZINC000052546108 519972838 /nfs/dbraw/zinc/97/28/38/519972838.db2.gz YGIWBELICDHAMC-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@H+]1CCOCC1(C)C ZINC000052546108 519972841 /nfs/dbraw/zinc/97/28/41/519972841.db2.gz YGIWBELICDHAMC-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476716 519989424 /nfs/dbraw/zinc/98/94/24/519989424.db2.gz JXOVYBYULZKNML-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)c(C)o1 ZINC000052476716 519989433 /nfs/dbraw/zinc/98/94/33/519989433.db2.gz JXOVYBYULZKNML-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2Cc3ccccc3C2)on1 ZINC000052374378 519990497 /nfs/dbraw/zinc/99/04/97/519990497.db2.gz FGCZAWOLRHTQLS-UHFFFAOYSA-N 2 2 257.337 2.300 10 0 CEAELP CCC[NH2+][C@@](Cn1c[nH+]c(C)c1C)(C(=O)OCC)C1CC1 ZINC000069193967 520059200 /nfs/dbraw/zinc/05/92/00/520059200.db2.gz BOXYXNFHTQNBMZ-MRXNPFEDSA-N 2 2 293.411 2.211 10 0 CEAELP CCCOC[C@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000060701730 520256888 /nfs/dbraw/zinc/25/68/88/520256888.db2.gz KGXBWHJUUVUFND-GFCCVEGCSA-N 2 2 252.358 2.003 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053012715 520610416 /nfs/dbraw/zinc/61/04/16/520610416.db2.gz TVYBGARONPCOSP-OAHLLOKOSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053012715 520610424 /nfs/dbraw/zinc/61/04/24/520610424.db2.gz TVYBGARONPCOSP-OAHLLOKOSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114731 520777873 /nfs/dbraw/zinc/77/78/73/520777873.db2.gz JPMHBXSEJLWROR-DLBZAZTESA-N 2 2 291.439 2.359 10 0 CEAELP CCC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCCn1cc[nH+]c1 ZINC000068695474 520845182 /nfs/dbraw/zinc/84/51/82/520845182.db2.gz NFKOSABASSMIGE-CVEARBPZSA-N 2 2 278.444 2.372 10 0 CEAELP CCC(CC)[C@H](CNCc1[nH]c[nH+]c1C)[NH+](C)C ZINC000054794385 521618764 /nfs/dbraw/zinc/61/87/64/521618764.db2.gz PZASEONCNSOHCA-AWEZNQCLSA-N 2 2 252.406 2.174 10 0 CEAELP CCC1(C)CC[NH+]([C@H]2CC3(CC[C@H]2[NH2+]C)OCCO3)CC1 ZINC000062953015 521678370 /nfs/dbraw/zinc/67/83/70/521678370.db2.gz MXHSSHKQITZBGC-CABCVRRESA-N 2 2 296.455 2.382 10 0 CEAELP CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000062249790 522027522 /nfs/dbraw/zinc/02/75/22/522027522.db2.gz OBIMGOVFIDQPTH-UKRRQHHQSA-N 2 2 266.433 2.396 10 0 CEAELP C[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443381 522029410 /nfs/dbraw/zinc/02/94/10/522029410.db2.gz ZYBPSKXPUMXNHJ-CYBMUJFWSA-N 2 2 281.831 2.318 10 0 CEAELP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1cscn1 ZINC000052503903 522134285 /nfs/dbraw/zinc/13/42/85/522134285.db2.gz QBIFGNXFVIQEHJ-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1cscn1 ZINC000052503903 522134297 /nfs/dbraw/zinc/13/42/97/522134297.db2.gz QBIFGNXFVIQEHJ-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP C[NH2+][C@H]1CCc2c1cccc2OCCn1cc[nH+]c1 ZINC000062799047 522505456 /nfs/dbraw/zinc/50/54/56/522505456.db2.gz NBILKKWCYDKLRT-AWEZNQCLSA-N 2 2 257.337 2.169 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000062807218 522507558 /nfs/dbraw/zinc/50/75/58/522507558.db2.gz ALGPTMMUZGWITK-ZBEGNZNMSA-N 2 2 283.379 2.269 10 0 CEAELP C[NH2+][C@](C)(C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21)C(N)=O ZINC000068648740 522525336 /nfs/dbraw/zinc/52/53/36/522525336.db2.gz HZVXDVVRVRMYJH-BLLLJJGKSA-N 2 2 288.395 2.068 10 0 CEAELP CC[C@H]1COCC[N@@H+]1Cc1ccoc1C[NH2+]C(C)C ZINC000052481486 523335399 /nfs/dbraw/zinc/33/53/99/523335399.db2.gz ZSQTVPXIXVHUMJ-AWEZNQCLSA-N 2 2 266.385 2.388 10 0 CEAELP CC[C@H]1COCC[N@H+]1Cc1ccoc1C[NH2+]C(C)C ZINC000052481486 523335412 /nfs/dbraw/zinc/33/54/12/523335412.db2.gz ZSQTVPXIXVHUMJ-AWEZNQCLSA-N 2 2 266.385 2.388 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068698410 523719347 /nfs/dbraw/zinc/71/93/47/523719347.db2.gz KXNCZJOSFONPQT-CJNGLKHVSA-N 2 2 272.396 2.297 10 0 CEAELP COC(=O)[C@](C)(C[C@H](C)n1c[nH+]c(C)c1C)[NH2+]C(C)C ZINC000068650058 524001106 /nfs/dbraw/zinc/00/11/06/524001106.db2.gz QFSFHNAJIDUPFK-NHYWBVRUSA-N 2 2 281.400 2.381 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000068648798 524002121 /nfs/dbraw/zinc/00/21/21/524002121.db2.gz QMQSXEGPLAYWHI-MEBBXXQBSA-N 2 2 275.352 2.186 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049150064 524592162 /nfs/dbraw/zinc/59/21/62/524592162.db2.gz KPYIWOLYELCNQS-HNNXBMFYSA-N 3 2 288.439 2.124 10 0 CEAELP C[C@H]([NH3+])c1ccc(Sc2nc(N)cc(N)[nH+]2)c(Cl)c1 ZINC000061700313 524867732 /nfs/dbraw/zinc/86/77/32/524867732.db2.gz FMRPUCBDKAHUBY-LURJTMIESA-N 2 2 295.799 2.465 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](CCO)Cc1ccccc1 ZINC000050514110 525366916 /nfs/dbraw/zinc/36/69/16/525366916.db2.gz BJDMPCLODIHIEY-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](CCO)Cc1ccccc1 ZINC000050514110 525366925 /nfs/dbraw/zinc/36/69/25/525366925.db2.gz BJDMPCLODIHIEY-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000049151226 525600184 /nfs/dbraw/zinc/60/01/84/525600184.db2.gz KSPPJGSNKVDFBB-QWHCGFSZSA-N 2 2 290.411 2.312 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757337 525756360 /nfs/dbraw/zinc/75/63/60/525756360.db2.gz BZRPWHCQHVJGQZ-CHWSQXEVSA-N 2 2 268.426 2.293 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757337 525756369 /nfs/dbraw/zinc/75/63/69/525756369.db2.gz BZRPWHCQHVJGQZ-CHWSQXEVSA-N 2 2 268.426 2.293 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000049137939 526392897 /nfs/dbraw/zinc/39/28/97/526392897.db2.gz FTMJXTXARBDBAN-MRXNPFEDSA-N 2 2 255.365 2.352 10 0 CEAELP c1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061815764 526485090 /nfs/dbraw/zinc/48/50/90/526485090.db2.gz NMELYQASJWUJAC-CQSZACIVSA-N 2 2 260.381 2.282 10 0 CEAELP c1ccc(OCCC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000061815764 526485095 /nfs/dbraw/zinc/48/50/95/526485095.db2.gz NMELYQASJWUJAC-CQSZACIVSA-N 2 2 260.381 2.282 10 0 CEAELP c1coc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000054445303 526564971 /nfs/dbraw/zinc/56/49/71/526564971.db2.gz FFQAYLBMMSSHAW-LBPRGKRZSA-N 2 2 288.351 2.219 10 0 CEAELP c1coc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)c1 ZINC000054445303 526564972 /nfs/dbraw/zinc/56/49/72/526564972.db2.gz FFQAYLBMMSSHAW-LBPRGKRZSA-N 2 2 288.351 2.219 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+]1CCOC[C@@H]1C ZINC000052476089 526775042 /nfs/dbraw/zinc/77/50/42/526775042.db2.gz PVQNJKYFHBKATO-NSHDSACASA-N 2 2 264.369 2.061 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476089 526775047 /nfs/dbraw/zinc/77/50/47/526775047.db2.gz PVQNJKYFHBKATO-NSHDSACASA-N 2 2 264.369 2.061 10 0 CEAELP [NH3+]CCc1[nH+]ccn1-c1ccccc1C(F)(F)F ZINC000052304629 527199267 /nfs/dbraw/zinc/19/92/67/527199267.db2.gz RSHGNCWZOZANCY-UHFFFAOYSA-N 2 2 255.243 2.392 10 0 CEAELP [NH3+]C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757572 527207947 /nfs/dbraw/zinc/20/79/47/527207947.db2.gz STIWZPHVHRORKD-DOMZBBRYSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757572 527207955 /nfs/dbraw/zinc/20/79/55/527207955.db2.gz STIWZPHVHRORKD-DOMZBBRYSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+][C@H]1CCCC[C@@H]1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000053858563 527396103 /nfs/dbraw/zinc/39/61/03/527396103.db2.gz SXNPOMZPDYDLMV-WBVHZDCISA-N 3 2 279.472 2.454 10 0 CEAELP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328563048 627890999 /nfs/dbraw/zinc/89/09/99/627890999.db2.gz ITJCOIGUXUHIKY-QKZBUQIKSA-N 2 2 270.376 2.096 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000094370389 628814117 /nfs/dbraw/zinc/81/41/17/628814117.db2.gz DEDPHVRDXLAYNZ-HZPDHXFCSA-N 2 2 298.471 2.281 10 0 CEAELP Cc1ccc2cc(C[N@H+]3CC[C@H]([NH3+])[C@H]3C)ccc2n1 ZINC000261579089 628941775 /nfs/dbraw/zinc/94/17/75/628941775.db2.gz DNONNLKSCZEPGE-DOMZBBRYSA-N 2 2 255.365 2.465 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H]3C)ccc2n1 ZINC000261579089 628941776 /nfs/dbraw/zinc/94/17/76/628941776.db2.gz DNONNLKSCZEPGE-DOMZBBRYSA-N 2 2 255.365 2.465 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000228376544 539339227 /nfs/dbraw/zinc/33/92/27/539339227.db2.gz VUGQEUQLWHUNLI-SWLSCSKDSA-N 2 2 271.364 2.096 10 0 CEAELP Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000306674063 344716220 /nfs/dbraw/zinc/71/62/20/344716220.db2.gz PHLSYXOKJPEHDO-OAHLLOKOSA-N 2 2 268.364 2.350 10 0 CEAELP Nc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000306674063 344716221 /nfs/dbraw/zinc/71/62/21/344716221.db2.gz PHLSYXOKJPEHDO-OAHLLOKOSA-N 2 2 268.364 2.350 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1C ZINC000384425982 344828564 /nfs/dbraw/zinc/82/85/64/344828564.db2.gz UJXABWROFONTHM-KRWDZBQOSA-N 2 2 276.424 2.158 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1C ZINC000384425982 344828567 /nfs/dbraw/zinc/82/85/67/344828567.db2.gz UJXABWROFONTHM-KRWDZBQOSA-N 2 2 276.424 2.158 10 0 CEAELP CC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474989 179079193 /nfs/dbraw/zinc/07/91/93/179079193.db2.gz BDGALORIBOFPQM-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474989 179079194 /nfs/dbraw/zinc/07/91/94/179079194.db2.gz BDGALORIBOFPQM-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085512042 179085760 /nfs/dbraw/zinc/08/57/60/179085760.db2.gz BNQBETSOHBMWIE-IRXDYDNUSA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085512042 179085763 /nfs/dbraw/zinc/08/57/63/179085763.db2.gz BNQBETSOHBMWIE-IRXDYDNUSA-N 2 2 290.455 2.372 10 0 CEAELP CC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085497157 179083809 /nfs/dbraw/zinc/08/38/09/179083809.db2.gz ADSJQDLIUALDPW-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@]1(C)C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085497157 179083811 /nfs/dbraw/zinc/08/38/11/179083811.db2.gz ADSJQDLIUALDPW-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609530 179101074 /nfs/dbraw/zinc/10/10/74/179101074.db2.gz KSMKAUGUXJUZKW-ZFWWWQNUSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609530 179101076 /nfs/dbraw/zinc/10/10/76/179101076.db2.gz KSMKAUGUXJUZKW-ZFWWWQNUSA-N 2 2 264.417 2.113 10 0 CEAELP CCC[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085612210 179103491 /nfs/dbraw/zinc/10/34/91/179103491.db2.gz WTEHNNRJJOCLAI-KFWWJZLASA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085612210 179103493 /nfs/dbraw/zinc/10/34/93/179103493.db2.gz WTEHNNRJJOCLAI-KFWWJZLASA-N 2 2 254.418 2.408 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1F ZINC000085616603 179104171 /nfs/dbraw/zinc/10/41/71/179104171.db2.gz WJQYTOWVAZNBBQ-OAHLLOKOSA-N 2 2 278.371 2.408 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1F ZINC000085616603 179104174 /nfs/dbraw/zinc/10/41/74/179104174.db2.gz WJQYTOWVAZNBBQ-OAHLLOKOSA-N 2 2 278.371 2.408 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000085680394 179113023 /nfs/dbraw/zinc/11/30/23/179113023.db2.gz RUKYGZVBOGMGRZ-ILXRZTDVSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000085680394 179113025 /nfs/dbraw/zinc/11/30/25/179113025.db2.gz RUKYGZVBOGMGRZ-ILXRZTDVSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([NH+]2CCN(c3ccccn3)CC2)C1 ZINC000019482712 136577674 /nfs/dbraw/zinc/57/76/74/136577674.db2.gz LIDVMXOBAXRSLE-RDJZCZTQSA-N 2 2 288.439 2.111 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1cc(F)ccc1Br ZINC000085798103 179173226 /nfs/dbraw/zinc/17/32/26/179173226.db2.gz XKIKSRSJMNJACD-JTQLQIEISA-N 2 2 275.165 2.020 10 0 CEAELP CCC[NH2+][C@H](CCO)C[NH+]1CCC(C)(CC)CC1 ZINC000085922917 179201250 /nfs/dbraw/zinc/20/12/50/179201250.db2.gz AQBPUNZVMFLYHG-CQSZACIVSA-N 2 2 256.434 2.249 10 0 CEAELP CC[C@H](C)[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](CC)C[NH2+]1 ZINC000086175573 179245792 /nfs/dbraw/zinc/24/57/92/179245792.db2.gz COMOXNXMFYFKMM-IHRRRGAJSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCCOC ZINC000086259461 179257830 /nfs/dbraw/zinc/25/78/30/179257830.db2.gz WQXXRHLZHDMJGB-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCCOC ZINC000086259461 179257832 /nfs/dbraw/zinc/25/78/32/179257832.db2.gz WQXXRHLZHDMJGB-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C(CC)(CC)CN1Cc1[nH+]ccn1C ZINC000086264802 179261067 /nfs/dbraw/zinc/26/10/67/179261067.db2.gz KZBQCSJGEKKDBZ-ZDUSSCGKSA-N 2 2 264.417 2.163 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268125 179262072 /nfs/dbraw/zinc/26/20/72/179262072.db2.gz LUDHBGIJOIPOAT-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1[C@@H](C)CCOC ZINC000086268125 179262080 /nfs/dbraw/zinc/26/20/80/179262080.db2.gz LUDHBGIJOIPOAT-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290050 179264975 /nfs/dbraw/zinc/26/49/75/179264975.db2.gz FKWBCRGQLWZRRS-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2nc(C)cs2)CCC[NH2+]1 ZINC000086290050 179264977 /nfs/dbraw/zinc/26/49/77/179264977.db2.gz FKWBCRGQLWZRRS-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292458 179266700 /nfs/dbraw/zinc/26/67/00/179266700.db2.gz JMWWTPVBOZMBPJ-GJZGRUSLSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292458 179266702 /nfs/dbraw/zinc/26/67/02/179266702.db2.gz JMWWTPVBOZMBPJ-GJZGRUSLSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334292155 539588804 /nfs/dbraw/zinc/58/88/04/539588804.db2.gz NCFDEWSDJAUUFW-HNNXBMFYSA-N 2 2 262.401 2.040 10 0 CEAELP CC[N@H+](Cc1cnc(Cl)s1)C1CC[NH2+]CC1 ZINC000086777796 179329072 /nfs/dbraw/zinc/32/90/72/179329072.db2.gz OAGIKNGKVRMQOW-UHFFFAOYSA-N 2 2 259.806 2.370 10 0 CEAELP CC[N@@H+](Cc1cnc(Cl)s1)C1CC[NH2+]CC1 ZINC000086777796 179329074 /nfs/dbraw/zinc/32/90/74/179329074.db2.gz OAGIKNGKVRMQOW-UHFFFAOYSA-N 2 2 259.806 2.370 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2[nH+]ccn2C)CC1 ZINC000086891361 179365884 /nfs/dbraw/zinc/36/58/84/179365884.db2.gz GGXAYXQRJJEZGX-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616600567 348531454 /nfs/dbraw/zinc/53/14/54/348531454.db2.gz GFCOQLBBHSHKFZ-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616600567 348531458 /nfs/dbraw/zinc/53/14/58/348531458.db2.gz GFCOQLBBHSHKFZ-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP CC(=O)Nc1ccccc1[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616612361 348534384 /nfs/dbraw/zinc/53/43/84/348534384.db2.gz ZIDJXVSEPNVIQE-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1ccccc1[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000616612361 348534388 /nfs/dbraw/zinc/53/43/88/348534388.db2.gz ZIDJXVSEPNVIQE-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616679069 348558210 /nfs/dbraw/zinc/55/82/10/348558210.db2.gz BXSNUGFZGUVVIN-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616679069 348558212 /nfs/dbraw/zinc/55/82/12/348558212.db2.gz BXSNUGFZGUVVIN-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP Cc1nn(CC[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000067880947 362930118 /nfs/dbraw/zinc/93/01/18/362930118.db2.gz WOQNECLKIYGDGT-SNVBAGLBSA-N 2 2 281.791 2.028 10 0 CEAELP CC[NH2+]C[C@@]1(C[NH+]2CCN(C)CC2)CCC[C@H](C)C1 ZINC000089613178 179829610 /nfs/dbraw/zinc/82/96/10/179829610.db2.gz JFGLFIKEYOTJRU-JKSUJKDBSA-N 2 2 267.461 2.040 10 0 CEAELP CCCN1CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C(C)C ZINC000090209316 179934386 /nfs/dbraw/zinc/93/43/86/179934386.db2.gz OEVDGGDLKOXKSI-TZMCWYRMSA-N 2 2 250.390 2.338 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000090566770 180006355 /nfs/dbraw/zinc/00/63/55/180006355.db2.gz PVGPODPMMZZWGO-JKSUJKDBSA-N 2 2 260.381 2.017 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000090695703 180025841 /nfs/dbraw/zinc/02/58/41/180025841.db2.gz HRIQQSVDTSLNPG-MWLCHTKSSA-N 2 2 250.308 2.259 10 0 CEAELP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900072 180058566 /nfs/dbraw/zinc/05/85/66/180058566.db2.gz WPXGLWMEYVBMMR-KGLIPLIRSA-N 2 2 280.799 2.457 10 0 CEAELP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900072 180058568 /nfs/dbraw/zinc/05/85/68/180058568.db2.gz WPXGLWMEYVBMMR-KGLIPLIRSA-N 2 2 280.799 2.457 10 0 CEAELP CC[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907476 180062109 /nfs/dbraw/zinc/06/21/09/180062109.db2.gz FKVLNFLMYYBTCZ-GASCZTMLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907476 180062111 /nfs/dbraw/zinc/06/21/11/180062111.db2.gz FKVLNFLMYYBTCZ-GASCZTMLSA-N 2 2 266.429 2.410 10 0 CEAELP C[NH2+]C1(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090908646 180062119 /nfs/dbraw/zinc/06/21/19/180062119.db2.gz XQADWCSAGDIMGN-OKILXGFUSA-N 2 2 252.402 2.162 10 0 CEAELP C[NH2+]C1(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090908646 180062121 /nfs/dbraw/zinc/06/21/21/180062121.db2.gz XQADWCSAGDIMGN-OKILXGFUSA-N 2 2 252.402 2.162 10 0 CEAELP Nc1ccccc1C[NH2+][C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000090961940 180076408 /nfs/dbraw/zinc/07/64/08/180076408.db2.gz DCGGDHLBLQQWJY-GJZGRUSLSA-N 2 2 256.353 2.349 10 0 CEAELP c1ccc2c(c1)C[C@@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982274 180079564 /nfs/dbraw/zinc/07/95/64/180079564.db2.gz YFBJYKTWHBXNFO-WBVHZDCISA-N 2 2 256.393 2.400 10 0 CEAELP c1ccc2c(c1)C[C@@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982274 180079567 /nfs/dbraw/zinc/07/95/67/180079567.db2.gz YFBJYKTWHBXNFO-WBVHZDCISA-N 2 2 256.393 2.400 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321242 180134672 /nfs/dbraw/zinc/13/46/72/180134672.db2.gz JUQOLWNQCOTFSU-LBPRGKRZSA-N 2 2 297.468 2.202 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321242 180134673 /nfs/dbraw/zinc/13/46/73/180134673.db2.gz JUQOLWNQCOTFSU-LBPRGKRZSA-N 2 2 297.468 2.202 10 0 CEAELP C[N@@H+]1CCC[C@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275403 180119035 /nfs/dbraw/zinc/11/90/35/180119035.db2.gz NOIBLIQCECXMII-MLGOLLRUSA-N 2 2 274.412 2.353 10 0 CEAELP C[N@H+]1CCC[C@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275403 180119036 /nfs/dbraw/zinc/11/90/36/180119036.db2.gz NOIBLIQCECXMII-MLGOLLRUSA-N 2 2 274.412 2.353 10 0 CEAELP CN1CCC[C@H](C[NH2+]C2CC2)[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275403 180119037 /nfs/dbraw/zinc/11/90/37/180119037.db2.gz NOIBLIQCECXMII-MLGOLLRUSA-N 2 2 274.412 2.353 10 0 CEAELP C[C@@H]1CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276563 180120078 /nfs/dbraw/zinc/12/00/78/180120078.db2.gz IHZZGBRLCSZELG-OCCSQVGLSA-N 2 2 262.401 2.340 10 0 CEAELP CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276239 180120330 /nfs/dbraw/zinc/12/03/30/180120330.db2.gz QKZVQODYIMYQGN-YPMHNXCESA-N 2 2 250.390 2.196 10 0 CEAELP COc1cc(C[NH3+])cc(Cl)c1OCc1c[nH+]cn1C ZINC000091278232 180120882 /nfs/dbraw/zinc/12/08/82/180120882.db2.gz FTMUUXODKUVDMD-UHFFFAOYSA-N 2 2 281.743 2.120 10 0 CEAELP CCC[NH2+]Cc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278256 180120913 /nfs/dbraw/zinc/12/09/13/180120913.db2.gz JQMCBETVWVXIBS-UHFFFAOYSA-N 2 2 259.353 2.499 10 0 CEAELP CC[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292082 180123703 /nfs/dbraw/zinc/12/37/03/180123703.db2.gz QBOOLTHRDWQDJQ-LBPRGKRZSA-N 2 2 254.399 2.197 10 0 CEAELP CC[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292082 180123704 /nfs/dbraw/zinc/12/37/04/180123704.db2.gz QBOOLTHRDWQDJQ-LBPRGKRZSA-N 2 2 254.399 2.197 10 0 CEAELP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292058 180123708 /nfs/dbraw/zinc/12/37/08/180123708.db2.gz CEMVYCLCAGLHGE-ZDUSSCGKSA-N 2 2 268.401 2.353 10 0 CEAELP C[N@@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccccc1F ZINC000091292058 180123710 /nfs/dbraw/zinc/12/37/10/180123710.db2.gz CEMVYCLCAGLHGE-ZDUSSCGKSA-N 2 2 268.401 2.353 10 0 CEAELP COc1ccccc1C[N@H+](C)CC[C@H]1CSCC[NH2+]1 ZINC000091292078 180123790 /nfs/dbraw/zinc/12/37/90/180123790.db2.gz JZUMDEGQMZCNDM-AWEZNQCLSA-N 2 2 280.437 2.222 10 0 CEAELP COc1ccccc1C[N@@H+](C)CC[C@H]1CSCC[NH2+]1 ZINC000091292078 180123792 /nfs/dbraw/zinc/12/37/92/180123792.db2.gz JZUMDEGQMZCNDM-AWEZNQCLSA-N 2 2 280.437 2.222 10 0 CEAELP CCCn1c(C[C@@H]2C[NH2+]CCO2)[nH+]c2cc(C)ccc21 ZINC000091293197 180124057 /nfs/dbraw/zinc/12/40/57/180124057.db2.gz FIXZHIAWWMHZMR-CYBMUJFWSA-N 2 2 273.380 2.286 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)CN1CCn2cc[nH+]c2C1 ZINC000091404858 180147151 /nfs/dbraw/zinc/14/71/51/180147151.db2.gz ZFZMFANQWDCSLP-ZDUSSCGKSA-N 2 2 264.417 2.113 10 0 CEAELP C[NH2+][C@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091564804 180193445 /nfs/dbraw/zinc/19/34/45/180193445.db2.gz UEUPXZPMBHMKML-CQSZACIVSA-N 2 2 276.428 2.059 10 0 CEAELP CCC[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@](C)(CC)[NH+](C)C ZINC000091571755 180196083 /nfs/dbraw/zinc/19/60/83/180196083.db2.gz QIIRGBCTOGAUQA-ZBFHGGJFSA-N 3 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](Cc1cc[nH+]c(N)c1)NC ZINC000091599129 180202030 /nfs/dbraw/zinc/20/20/30/180202030.db2.gz ATAHKMMZECLDBV-GOEBONIOSA-N 2 2 278.444 2.305 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncnn1C)[C@@](C)(CC)[NH+](CC)CC ZINC000091601503 180203129 /nfs/dbraw/zinc/20/31/29/180203129.db2.gz UIWMSHMJPHLYMY-GOEBONIOSA-N 2 2 295.475 2.236 10 0 CEAELP CC[C@](C)([C@H]([NH3+])C1CCOCC1)[NH+]1CCCCC1 ZINC000091608954 180205348 /nfs/dbraw/zinc/20/53/48/180205348.db2.gz BPRZZOZNOAWIOL-HUUCEWRRSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H](Cc1nn(C)c2ccccc12)C(C)(C)[NH+](C)C ZINC000091528958 180180934 /nfs/dbraw/zinc/18/09/34/180180934.db2.gz SIOYUAJHCWYQGX-INIZCTEOSA-N 2 2 288.439 2.434 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCC1 ZINC000091637960 180211981 /nfs/dbraw/zinc/21/19/81/180211981.db2.gz PKNLSHSFDQDXSF-OAHLLOKOSA-N 3 2 276.428 2.059 10 0 CEAELP CC[NH+](CC)C1([C@H](Cc2cccnc2N)[NH2+]C)CCCC1 ZINC000091639496 180212286 /nfs/dbraw/zinc/21/22/86/180212286.db2.gz BUJWFEWQLGISNV-HNNXBMFYSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)CC[C@@H]([NH2+]C)c1cc(Cl)cnc1N ZINC000091716035 180232287 /nfs/dbraw/zinc/23/22/87/180232287.db2.gz YXBAWWJKZFDBFL-GFCCVEGCSA-N 2 2 270.808 2.310 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000091719620 180234456 /nfs/dbraw/zinc/23/44/56/180234456.db2.gz ZOOPMDYQYUROET-LBPRGKRZSA-N 2 2 260.303 2.398 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721875 180239817 /nfs/dbraw/zinc/23/98/17/180239817.db2.gz FAKKIXJBHDYSRR-BZUAXINKSA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721875 180239819 /nfs/dbraw/zinc/23/98/19/180239819.db2.gz FAKKIXJBHDYSRR-BZUAXINKSA-N 2 2 278.371 2.340 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052763 180313124 /nfs/dbraw/zinc/31/31/24/180313124.db2.gz CYHZZSCZQCBZGT-YMAMQOFZSA-N 2 2 254.418 2.123 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052763 180313126 /nfs/dbraw/zinc/31/31/26/180313126.db2.gz CYHZZSCZQCBZGT-YMAMQOFZSA-N 2 2 254.418 2.123 10 0 CEAELP COc1cccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)c1OC ZINC000092082802 180319334 /nfs/dbraw/zinc/31/93/34/180319334.db2.gz OQNJSUNWGCTGTQ-OBJOEFQTSA-N 2 2 278.396 2.291 10 0 CEAELP COCc1ccccc1[C@H](C[NH3+])[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092083372 180320080 /nfs/dbraw/zinc/32/00/80/180320080.db2.gz HUGKHYQIDVNCHJ-XEZPLFJOSA-N 2 2 262.397 2.421 10 0 CEAELP COCc1ccccc1[C@H](C[NH3+])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092083371 180320566 /nfs/dbraw/zinc/32/05/66/180320566.db2.gz HUGKHYQIDVNCHJ-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP COCc1ccccc1[C@H](C[NH3+])[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000092083371 180320568 /nfs/dbraw/zinc/32/05/68/180320568.db2.gz HUGKHYQIDVNCHJ-ZENOOKHLSA-N 2 2 262.397 2.421 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087739 180321810 /nfs/dbraw/zinc/32/18/10/180321810.db2.gz AXEDIBTZMLBRHA-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087739 180321812 /nfs/dbraw/zinc/32/18/12/180321812.db2.gz AXEDIBTZMLBRHA-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302619 180359537 /nfs/dbraw/zinc/35/95/37/180359537.db2.gz BKQHPIDFUBFXQG-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302619 180359538 /nfs/dbraw/zinc/35/95/38/180359538.db2.gz BKQHPIDFUBFXQG-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339889 180365199 /nfs/dbraw/zinc/36/51/99/180365199.db2.gz UJEYZSKLAMXNOD-CQSZACIVSA-N 2 2 265.401 2.359 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000092339889 180365201 /nfs/dbraw/zinc/36/52/01/180365201.db2.gz UJEYZSKLAMXNOD-CQSZACIVSA-N 2 2 265.401 2.359 10 0 CEAELP Cc1cc(Cn2cc[nH+]c2CC[NH3+])c2ccccc2n1 ZINC000092364724 180368168 /nfs/dbraw/zinc/36/81/68/180368168.db2.gz NNZRZYOMCXBSOT-UHFFFAOYSA-N 2 2 266.348 2.289 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366831 180369187 /nfs/dbraw/zinc/36/91/87/180369187.db2.gz DXIYLLFUQMTMOP-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366831 180369188 /nfs/dbraw/zinc/36/91/88/180369188.db2.gz DXIYLLFUQMTMOP-QWRGUYRKSA-N 2 2 253.777 2.294 10 0 CEAELP CCCNc1cccc(CN2CC[N@H+](C)C(C)(C)C2)[nH+]1 ZINC000092370824 180370224 /nfs/dbraw/zinc/37/02/24/180370224.db2.gz RNLLIWXUZXZSHB-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCCNc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)[nH+]1 ZINC000092370824 180370226 /nfs/dbraw/zinc/37/02/26/180370226.db2.gz RNLLIWXUZXZSHB-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCCNc1cccc(CN2CC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000092370567 180370325 /nfs/dbraw/zinc/37/03/25/180370325.db2.gz VJMFKOVUANBALV-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000092418392 180381331 /nfs/dbraw/zinc/38/13/31/180381331.db2.gz FJSYCBHSGIHNTD-LBPRGKRZSA-N 2 2 251.374 2.370 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000092418392 180381333 /nfs/dbraw/zinc/38/13/33/180381333.db2.gz FJSYCBHSGIHNTD-LBPRGKRZSA-N 2 2 251.374 2.370 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417252 180381472 /nfs/dbraw/zinc/38/14/72/180381472.db2.gz ZAWDPYYPCKWSHD-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417252 180381473 /nfs/dbraw/zinc/38/14/73/180381473.db2.gz ZAWDPYYPCKWSHD-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000130497968 365961367 /nfs/dbraw/zinc/96/13/67/365961367.db2.gz CKZGSJLSPDOCLG-QWHCGFSZSA-N 2 2 259.353 2.198 10 0 CEAELP COc1ccccc1-c1cn2c([nH+]1)[C@@H](C)C[C@H]([NH3+])C2 ZINC000107827751 186193955 /nfs/dbraw/zinc/19/39/55/186193955.db2.gz YNDDSXBFTFDTIQ-QWRGUYRKSA-N 2 2 257.337 2.393 10 0 CEAELP CN(Cc1[nH+]ccn1C)c1cc(CO)[nH+]c2ccccc21 ZINC000109594762 186264807 /nfs/dbraw/zinc/26/48/07/186264807.db2.gz ZYJVKYMERCJXIM-UHFFFAOYSA-N 2 2 282.347 2.097 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH2+]C(C)C)c(Cl)c1OC ZINC000110829455 186327140 /nfs/dbraw/zinc/32/71/40/186327140.db2.gz SKBTWZNTXNATEZ-JTQLQIEISA-N 2 2 272.776 2.355 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)CC1CCCC1 ZINC000110832410 186328250 /nfs/dbraw/zinc/32/82/50/186328250.db2.gz BATBPFXVHRWESF-HUUCEWRRSA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)CC1CCCC1 ZINC000110832410 186328252 /nfs/dbraw/zinc/32/82/52/186328252.db2.gz BATBPFXVHRWESF-HUUCEWRRSA-N 2 2 264.417 2.321 10 0 CEAELP CCC[N@H+](Cc1ccc(OC)c(O)c1)[C@H]1CCC[NH2+]C1 ZINC000110938331 186334581 /nfs/dbraw/zinc/33/45/81/186334581.db2.gz ODWHHNFSQAANAR-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(OC)c(O)c1)[C@H]1CCC[NH2+]C1 ZINC000110938331 186334582 /nfs/dbraw/zinc/33/45/82/186334582.db2.gz ODWHHNFSQAANAR-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP C[C@@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCN1C ZINC000110751539 186319871 /nfs/dbraw/zinc/31/98/71/186319871.db2.gz UWWVNWJJJDSMEX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCN1C ZINC000110751539 186319872 /nfs/dbraw/zinc/31/98/72/186319872.db2.gz UWWVNWJJJDSMEX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111155899 186361839 /nfs/dbraw/zinc/36/18/39/186361839.db2.gz FBWRVMXKDHVSDO-GUYCJALGSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111155899 186361840 /nfs/dbraw/zinc/36/18/40/186361840.db2.gz FBWRVMXKDHVSDO-GUYCJALGSA-N 2 2 292.423 2.442 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CC1CCOCC1 ZINC000111155609 186362601 /nfs/dbraw/zinc/36/26/01/186362601.db2.gz HTLHBYRVYIKJEP-GOEBONIOSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CC1CCOCC1 ZINC000111155609 186362603 /nfs/dbraw/zinc/36/26/03/186362603.db2.gz HTLHBYRVYIKJEP-GOEBONIOSA-N 2 2 277.412 2.218 10 0 CEAELP C[NH+](C)CCC[N@H+](C)Cc1cc(N)ccc1Cl ZINC000111131656 186356234 /nfs/dbraw/zinc/35/62/34/186356234.db2.gz FVCYQZTYVMNGPZ-UHFFFAOYSA-N 2 2 255.793 2.306 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)Cc1cc(N)ccc1Cl ZINC000111131656 186356236 /nfs/dbraw/zinc/35/62/36/186356236.db2.gz FVCYQZTYVMNGPZ-UHFFFAOYSA-N 2 2 255.793 2.306 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000111148125 186358314 /nfs/dbraw/zinc/35/83/14/186358314.db2.gz OACIRFITWOCLAB-RDJZCZTQSA-N 3 2 277.456 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000111148125 186358315 /nfs/dbraw/zinc/35/83/15/186358315.db2.gz OACIRFITWOCLAB-RDJZCZTQSA-N 3 2 277.456 2.467 10 0 CEAELP C[N@H+](Cc1ccco1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325147 186398333 /nfs/dbraw/zinc/39/83/33/186398333.db2.gz OIQAYIDPAMNSAU-MRXNPFEDSA-N 2 2 278.396 2.260 10 0 CEAELP C[N@@H+](Cc1ccco1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325147 186398335 /nfs/dbraw/zinc/39/83/35/186398335.db2.gz OIQAYIDPAMNSAU-MRXNPFEDSA-N 2 2 278.396 2.260 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cn[nH+]c2ccccc21 ZINC000111236633 186373306 /nfs/dbraw/zinc/37/33/06/186373306.db2.gz LEFLUVOVCFACIH-YOGCLGLASA-N 2 2 254.337 2.088 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000111239114 186374164 /nfs/dbraw/zinc/37/41/64/186374164.db2.gz QUVXBIXASCPHPW-HNNXBMFYSA-N 2 2 266.360 2.184 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000111239114 186374166 /nfs/dbraw/zinc/37/41/66/186374166.db2.gz QUVXBIXASCPHPW-HNNXBMFYSA-N 2 2 266.360 2.184 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796282 363001773 /nfs/dbraw/zinc/00/17/73/363001773.db2.gz QQXGALQCTGPRTA-GMSGAONNSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796282 363001776 /nfs/dbraw/zinc/00/17/76/363001776.db2.gz QQXGALQCTGPRTA-GMSGAONNSA-N 2 2 275.215 2.462 10 0 CEAELP CCCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccncc2)[nH+]1 ZINC000070455875 363085363 /nfs/dbraw/zinc/08/53/63/363085363.db2.gz IELWYKMCZFGLFI-ZDUSSCGKSA-N 2 2 283.379 2.029 10 0 CEAELP COc1ccc[nH+]c1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000630517553 351769437 /nfs/dbraw/zinc/76/94/37/351769437.db2.gz SGVMWRRRCRRICM-CQSZACIVSA-N 2 2 275.396 2.306 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122109082 187015214 /nfs/dbraw/zinc/01/52/14/187015214.db2.gz WIHSPOVZECBNOT-JSGCOSHPSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122109082 187015215 /nfs/dbraw/zinc/01/52/15/187015215.db2.gz WIHSPOVZECBNOT-JSGCOSHPSA-N 2 2 276.384 2.240 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000122957090 187062080 /nfs/dbraw/zinc/06/20/80/187062080.db2.gz OKQWCQCKXPKCDX-CQSZACIVSA-N 2 2 273.384 2.314 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000122957090 187062081 /nfs/dbraw/zinc/06/20/81/187062081.db2.gz OKQWCQCKXPKCDX-CQSZACIVSA-N 2 2 273.384 2.314 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000156563259 540008857 /nfs/dbraw/zinc/00/88/57/540008857.db2.gz VUGQEUQLWHUNLI-DOMZBBRYSA-N 2 2 271.364 2.096 10 0 CEAELP C[N@@H+](Cc1cccc(O)c1Cl)C[C@H]1CC[NH+](C)C1 ZINC000294770714 199175665 /nfs/dbraw/zinc/17/56/65/199175665.db2.gz SWBXFHWLYLNCIG-NSHDSACASA-N 2 2 268.788 2.429 10 0 CEAELP C[N@H+](Cc1cccc(O)c1Cl)C[C@H]1CC[NH+](C)C1 ZINC000294770714 199175666 /nfs/dbraw/zinc/17/56/66/199175666.db2.gz SWBXFHWLYLNCIG-NSHDSACASA-N 2 2 268.788 2.429 10 0 CEAELP C[NH+](Cc1cccc(O)c1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000294770714 199175667 /nfs/dbraw/zinc/17/56/67/199175667.db2.gz SWBXFHWLYLNCIG-NSHDSACASA-N 2 2 268.788 2.429 10 0 CEAELP C[NH+](Cc1cccc(O)c1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000294770714 199175669 /nfs/dbraw/zinc/17/56/69/199175669.db2.gz SWBXFHWLYLNCIG-NSHDSACASA-N 2 2 268.788 2.429 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325456 366640298 /nfs/dbraw/zinc/64/02/98/366640298.db2.gz QTMXPIUBFOVSJS-CZUORRHYSA-N 2 2 280.387 2.323 10 0 CEAELP COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177245045 189039027 /nfs/dbraw/zinc/03/90/27/189039027.db2.gz FXYVVWMQLCWNHO-GDBMZVCRSA-N 2 2 292.423 2.193 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000178300460 189103851 /nfs/dbraw/zinc/10/38/51/189103851.db2.gz KANMOANOTAQCBY-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000178300460 189103852 /nfs/dbraw/zinc/10/38/52/189103852.db2.gz KANMOANOTAQCBY-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178318568 189107143 /nfs/dbraw/zinc/10/71/43/189107143.db2.gz VEBRNBJVTUDDGP-UKRRQHHQSA-N 2 2 293.411 2.388 10 0 CEAELP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178318568 189107144 /nfs/dbraw/zinc/10/71/44/189107144.db2.gz VEBRNBJVTUDDGP-UKRRQHHQSA-N 2 2 293.411 2.388 10 0 CEAELP CC[NH+](CC)CCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000152854623 366717756 /nfs/dbraw/zinc/71/77/56/366717756.db2.gz FMQHTEBUKABABM-AWEZNQCLSA-N 2 2 291.443 2.467 10 0 CEAELP CCOCC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000301873931 201243146 /nfs/dbraw/zinc/24/31/46/201243146.db2.gz JPUBHTLZAIPOIG-CYBMUJFWSA-N 2 2 288.395 2.110 10 0 CEAELP CCOCC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000301873931 201243149 /nfs/dbraw/zinc/24/31/49/201243149.db2.gz JPUBHTLZAIPOIG-CYBMUJFWSA-N 2 2 288.395 2.110 10 0 CEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000245650369 370854753 /nfs/dbraw/zinc/85/47/53/370854753.db2.gz HDWIOGLLIKQQPU-KBPBESRZSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000245650369 370854756 /nfs/dbraw/zinc/85/47/56/370854756.db2.gz HDWIOGLLIKQQPU-KBPBESRZSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182026383 368516480 /nfs/dbraw/zinc/51/64/80/368516480.db2.gz QKQGWDPRNOVQRK-DOTOQJQBSA-N 2 2 276.424 2.128 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ncccn3)C2)[nH+]1 ZINC000192034549 369766933 /nfs/dbraw/zinc/76/69/33/369766933.db2.gz KUDQBFOFGYOXCK-CQSZACIVSA-N 2 2 283.379 2.114 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ncccn3)C2)[nH+]1 ZINC000192034549 369766935 /nfs/dbraw/zinc/76/69/35/369766935.db2.gz KUDQBFOFGYOXCK-CQSZACIVSA-N 2 2 283.379 2.114 10 0 CEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000261920113 371771239 /nfs/dbraw/zinc/77/12/39/371771239.db2.gz BOKXMVHOZIDDIZ-UKRRQHHQSA-N 2 2 262.397 2.483 10 0 CEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000261920113 371771242 /nfs/dbraw/zinc/77/12/42/371771242.db2.gz BOKXMVHOZIDDIZ-UKRRQHHQSA-N 2 2 262.397 2.483 10 0 CEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)CC1CCCCC1 ZINC000262274966 371845953 /nfs/dbraw/zinc/84/59/53/371845953.db2.gz SYUFSEKQCHFSER-UHFFFAOYSA-N 2 2 266.389 2.321 10 0 CEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)CC1CCCCC1 ZINC000262274966 371845958 /nfs/dbraw/zinc/84/59/58/371845958.db2.gz SYUFSEKQCHFSER-UHFFFAOYSA-N 2 2 266.389 2.321 10 0 CEAELP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000262644738 371892043 /nfs/dbraw/zinc/89/20/43/371892043.db2.gz MXCGVKGNHJKMTD-NEPJUHHUSA-N 2 2 270.336 2.143 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)nc(C)[nH+]1 ZINC000272865741 373685408 /nfs/dbraw/zinc/68/54/08/373685408.db2.gz MVZQISBTRGBRKS-LSDHHAIUSA-N 2 2 274.412 2.410 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)nc(C)[nH+]1 ZINC000272865741 373685410 /nfs/dbraw/zinc/68/54/10/373685410.db2.gz MVZQISBTRGBRKS-LSDHHAIUSA-N 2 2 274.412 2.410 10 0 CEAELP C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745993 207004848 /nfs/dbraw/zinc/00/48/48/207004848.db2.gz MPQAZLFHWUGFLI-BBRMVZONSA-N 2 2 271.364 2.075 10 0 CEAELP C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745993 207004853 /nfs/dbraw/zinc/00/48/53/207004853.db2.gz MPQAZLFHWUGFLI-BBRMVZONSA-N 2 2 271.364 2.075 10 0 CEAELP CC[NH2+][C@H](CCC1CC1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927926 184744632 /nfs/dbraw/zinc/74/46/32/184744632.db2.gz DHZMAPCOAXCMQS-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H](CCC1CC1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927926 184744633 /nfs/dbraw/zinc/74/46/33/184744633.db2.gz DHZMAPCOAXCMQS-HUUCEWRRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)C1Cc2ccccc2C1 ZINC000094162180 184757206 /nfs/dbraw/zinc/75/72/06/184757206.db2.gz ZYZGNDWVRCXTDW-MRXNPFEDSA-N 2 2 269.392 2.356 10 0 CEAELP CCC[NH2+][C@H]1[C@H](N(C)Cc2[nH+]ccn2C)CCC1(C)C ZINC000094305837 184778462 /nfs/dbraw/zinc/77/84/62/184778462.db2.gz VRWFPAADRJJBSP-HIFRSBDPSA-N 2 2 278.444 2.409 10 0 CEAELP CC(C)[C@@](C)(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000041156333 134878420 /nfs/dbraw/zinc/87/84/20/134878420.db2.gz YUYNHZYCJFMZJR-MRXNPFEDSA-N 2 2 279.403 2.321 10 0 CEAELP Cc1c[nH+]c(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000090676449 135064146 /nfs/dbraw/zinc/06/41/46/135064146.db2.gz RSULPALVGMVECW-UHFFFAOYSA-N 2 2 282.391 2.294 10 0 CEAELP Cc1[nH+]cccc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC000091498318 135070958 /nfs/dbraw/zinc/07/09/58/135070958.db2.gz SPNFPJNDHVAFKK-MRXNPFEDSA-N 2 2 267.376 2.411 10 0 CEAELP [NH3+][C@H]1CCC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000093210405 135079599 /nfs/dbraw/zinc/07/95/99/135079599.db2.gz XKZSHOPMMDWLLH-ZFWWWQNUSA-N 2 2 275.396 2.205 10 0 CEAELP [NH3+][C@@H]1CC[C@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000093206391 135079711 /nfs/dbraw/zinc/07/97/11/135079711.db2.gz SMUVZUVCCBCDJC-OLZOCXBDSA-N 2 2 260.385 2.364 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416534 396149500 /nfs/dbraw/zinc/14/95/00/396149500.db2.gz CYAUZVOWSWAYKJ-OLZOCXBDSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2nccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416534 396149503 /nfs/dbraw/zinc/14/95/03/396149503.db2.gz CYAUZVOWSWAYKJ-OLZOCXBDSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@@H]1CN(Cc2[nH+]ccn2C(C)C)CC[C@@H]1[NH3+] ZINC000649416534 396149505 /nfs/dbraw/zinc/14/95/05/396149505.db2.gz CYAUZVOWSWAYKJ-OLZOCXBDSA-N 2 2 250.390 2.023 10 0 CEAELP CCn1ccnc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516052 153293647 /nfs/dbraw/zinc/29/36/47/153293647.db2.gz WRWYUGGUTOSEOS-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1ccnc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195516052 153293650 /nfs/dbraw/zinc/29/36/50/153293650.db2.gz WRWYUGGUTOSEOS-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP CC(C)c1csc([C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262988618 154003361 /nfs/dbraw/zinc/00/33/61/154003361.db2.gz NKNNGFKTRZGWGU-NSHDSACASA-N 2 2 253.415 2.405 10 0 CEAELP CC(C)c1csc([C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262988618 154003366 /nfs/dbraw/zinc/00/33/66/154003366.db2.gz NKNNGFKTRZGWGU-NSHDSACASA-N 2 2 253.415 2.405 10 0 CEAELP CO[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163711 162356842 /nfs/dbraw/zinc/35/68/42/162356842.db2.gz RCSWRPAAVQFYDM-HZPDHXFCSA-N 2 2 292.423 2.412 10 0 CEAELP CO[C@@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163711 162356844 /nfs/dbraw/zinc/35/68/44/162356844.db2.gz RCSWRPAAVQFYDM-HZPDHXFCSA-N 2 2 292.423 2.412 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCSC)C1 ZINC000171634847 165051222 /nfs/dbraw/zinc/05/12/22/165051222.db2.gz UHHMJRPRXRFYFG-GFCCVEGCSA-N 2 2 253.415 2.445 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCSC)C1 ZINC000171634847 165051223 /nfs/dbraw/zinc/05/12/23/165051223.db2.gz UHHMJRPRXRFYFG-GFCCVEGCSA-N 2 2 253.415 2.445 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCSC)C1 ZINC000171634850 165051376 /nfs/dbraw/zinc/05/13/76/165051376.db2.gz UHHMJRPRXRFYFG-LBPRGKRZSA-N 2 2 253.415 2.445 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCSC)C1 ZINC000171634850 165051379 /nfs/dbraw/zinc/05/13/79/165051379.db2.gz UHHMJRPRXRFYFG-LBPRGKRZSA-N 2 2 253.415 2.445 10 0 CEAELP C[NH+](C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020273977 171130720 /nfs/dbraw/zinc/13/07/20/171130720.db2.gz DFYVDLMJSDMNMG-LLVKDONJSA-N 2 2 257.175 2.401 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000037265835 173074895 /nfs/dbraw/zinc/07/48/95/173074895.db2.gz JPPIRDARZKAMCW-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673089 174371474 /nfs/dbraw/zinc/37/14/74/174371474.db2.gz ICYQDFWEVCEBAT-SWLSCSKDSA-N 2 2 260.381 2.366 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673089 174371475 /nfs/dbraw/zinc/37/14/75/174371475.db2.gz ICYQDFWEVCEBAT-SWLSCSKDSA-N 2 2 260.381 2.366 10 0 CEAELP COc1c(C)cnc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750383 174395243 /nfs/dbraw/zinc/39/52/43/174395243.db2.gz RXBBRTPKNHWARS-AGUYFDCRSA-N 2 2 275.396 2.161 10 0 CEAELP COc1c(C)cnc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750383 174395244 /nfs/dbraw/zinc/39/52/44/174395244.db2.gz RXBBRTPKNHWARS-AGUYFDCRSA-N 2 2 275.396 2.161 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)[NH+](CCOC)CCOC ZINC000042914524 174913649 /nfs/dbraw/zinc/91/36/49/174913649.db2.gz ANDGDWPNAZTXLF-HOTGVXAUSA-N 2 2 298.402 2.199 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)n1c(C)[nH+]c2ccccc21 ZINC000043232641 174986492 /nfs/dbraw/zinc/98/64/92/174986492.db2.gz JPVHFTHNXNZFBV-BBRMVZONSA-N 2 2 283.379 2.405 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CC)[C@@H](C)COC ZINC000043336292 175011964 /nfs/dbraw/zinc/01/19/64/175011964.db2.gz NJECBXIMMJSFLS-SCRDCRAPSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CC)[C@@H](C)COC ZINC000043336292 175011966 /nfs/dbraw/zinc/01/19/66/175011966.db2.gz NJECBXIMMJSFLS-SCRDCRAPSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccccn1 ZINC000043338988 175013157 /nfs/dbraw/zinc/01/31/57/175013157.db2.gz GVTKYZQAQCZRNH-NVXWUHKLSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccccn1 ZINC000043338988 175013158 /nfs/dbraw/zinc/01/31/58/175013158.db2.gz GVTKYZQAQCZRNH-NVXWUHKLSA-N 2 2 284.407 2.430 10 0 CEAELP CCCC[N@H+](CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364868 175025268 /nfs/dbraw/zinc/02/52/68/175025268.db2.gz UEAXFYIMSKYFDB-TZMCWYRMSA-N 2 2 254.374 2.071 10 0 CEAELP CCCC[N@@H+](CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364868 175025270 /nfs/dbraw/zinc/02/52/70/175025270.db2.gz UEAXFYIMSKYFDB-TZMCWYRMSA-N 2 2 254.374 2.071 10 0 CEAELP Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000043477428 175054793 /nfs/dbraw/zinc/05/47/93/175054793.db2.gz DPBKINVPNIKEGL-UHFFFAOYSA-N 2 2 265.744 2.422 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000043897638 175120315 /nfs/dbraw/zinc/12/03/15/175120315.db2.gz VAVSFMJDIIVENQ-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+]2CCOC(C)(C)C2)C1 ZINC000043897638 175120316 /nfs/dbraw/zinc/12/03/16/175120316.db2.gz VAVSFMJDIIVENQ-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969653 175130597 /nfs/dbraw/zinc/13/05/97/175130597.db2.gz AWIMRAFNVOQYOI-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969653 175130598 /nfs/dbraw/zinc/13/05/98/175130598.db2.gz AWIMRAFNVOQYOI-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089914 415201854 /nfs/dbraw/zinc/20/18/54/415201854.db2.gz CBWSLZIUAOIXGW-XJFOESAGSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089914 415201861 /nfs/dbraw/zinc/20/18/61/415201861.db2.gz CBWSLZIUAOIXGW-XJFOESAGSA-N 2 2 266.429 2.262 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccccc1F ZINC000045043394 175295098 /nfs/dbraw/zinc/29/50/98/175295098.db2.gz ZIQHHBFEXMNXBY-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1F ZINC000045043394 175295099 /nfs/dbraw/zinc/29/50/99/175295099.db2.gz ZIQHHBFEXMNXBY-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP Cc1ccc(C(N)=S)c(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000045137216 175314462 /nfs/dbraw/zinc/31/44/62/175314462.db2.gz OPLGJDRZJJMYCJ-GFCCVEGCSA-N 2 2 292.452 2.166 10 0 CEAELP Cc1ccc(C(N)=S)c(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000045137216 175314464 /nfs/dbraw/zinc/31/44/64/175314464.db2.gz OPLGJDRZJJMYCJ-GFCCVEGCSA-N 2 2 292.452 2.166 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369915 175363568 /nfs/dbraw/zinc/36/35/68/175363568.db2.gz ULIYGKHNPTVJRZ-INIZCTEOSA-N 2 2 278.396 2.492 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH3+])C(=O)OC)c1ccccc1C ZINC000045369915 175363570 /nfs/dbraw/zinc/36/35/70/175363570.db2.gz ULIYGKHNPTVJRZ-INIZCTEOSA-N 2 2 278.396 2.492 10 0 CEAELP COc1ccc(C[C@](C)(C[NH3+])[NH+]2CCSCC2)cc1 ZINC000071169082 176050043 /nfs/dbraw/zinc/05/00/43/176050043.db2.gz JNFOOLGXKHABMC-OAHLLOKOSA-N 2 2 280.437 2.004 10 0 CEAELP C[N@H+](C[C@H](N)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000071188779 176063946 /nfs/dbraw/zinc/06/39/46/176063946.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 2 287.407 2.316 10 0 CEAELP C[N@@H+](C[C@H](N)c1cc2ccccc2o1)C[C@@H]1CC[NH+](C)C1 ZINC000071188779 176063947 /nfs/dbraw/zinc/06/39/47/176063947.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 2 287.407 2.316 10 0 CEAELP C[NH+](C[C@H](N)c1cc2ccccc2o1)C[C@@H]1CC[N@H+](C)C1 ZINC000071188779 176063949 /nfs/dbraw/zinc/06/39/49/176063949.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 2 287.407 2.316 10 0 CEAELP C[NH+](C[C@H](N)c1cc2ccccc2o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188779 176063950 /nfs/dbraw/zinc/06/39/50/176063950.db2.gz XUDGMMKZUKOORR-HIFRSBDPSA-N 2 2 287.407 2.316 10 0 CEAELP C[NH2+]C[C@](C)(C[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191460 176069195 /nfs/dbraw/zinc/06/91/95/176069195.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191460 176069196 /nfs/dbraw/zinc/06/91/96/176069196.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@](C)(C[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191460 176069198 /nfs/dbraw/zinc/06/91/98/176069198.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191460 176069200 /nfs/dbraw/zinc/06/92/00/176069200.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 3 2 289.467 2.047 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CCCC1 ZINC000071191435 176070009 /nfs/dbraw/zinc/07/00/09/176070009.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CCCC1 ZINC000071191435 176070010 /nfs/dbraw/zinc/07/00/10/176070010.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191435 176070011 /nfs/dbraw/zinc/07/00/11/176070011.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191435 176070012 /nfs/dbraw/zinc/07/00/12/176070012.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191394 176070238 /nfs/dbraw/zinc/07/02/38/176070238.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191394 176070240 /nfs/dbraw/zinc/07/02/40/176070240.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191394 176070241 /nfs/dbraw/zinc/07/02/41/176070241.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191394 176070243 /nfs/dbraw/zinc/07/02/43/176070243.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(C)(C)C ZINC000071191362 176070589 /nfs/dbraw/zinc/07/05/89/176070589.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(C)(C)C ZINC000071191362 176070590 /nfs/dbraw/zinc/07/05/90/176070590.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191362 176070592 /nfs/dbraw/zinc/07/05/92/176070592.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071191362 176070594 /nfs/dbraw/zinc/07/05/94/176070594.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 3 2 269.477 2.284 10 0 CEAELP C[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1cccc(F)c1 ZINC000071191259 176070772 /nfs/dbraw/zinc/07/07/72/176070772.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1cccc(F)c1 ZINC000071191259 176070774 /nfs/dbraw/zinc/07/07/74/176070774.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC000071191259 176070776 /nfs/dbraw/zinc/07/07/76/176070776.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC000071191259 176070778 /nfs/dbraw/zinc/07/07/78/176070778.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191959 176071018 /nfs/dbraw/zinc/07/10/18/176071018.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191959 176071021 /nfs/dbraw/zinc/07/10/21/176071021.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191959 176071023 /nfs/dbraw/zinc/07/10/23/176071023.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191959 176071024 /nfs/dbraw/zinc/07/10/24/176071024.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP COCC[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC ZINC000071224228 176088593 /nfs/dbraw/zinc/08/85/93/176088593.db2.gz GLSKKJZKQONVKK-UHFFFAOYSA-N 2 2 286.803 2.146 10 0 CEAELP COCC[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC ZINC000071224228 176088595 /nfs/dbraw/zinc/08/85/95/176088595.db2.gz GLSKKJZKQONVKK-UHFFFAOYSA-N 2 2 286.803 2.146 10 0 CEAELP CC[N@H+](CCOc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071313921 176120486 /nfs/dbraw/zinc/12/04/86/176120486.db2.gz YMMMUBOFOYJGBC-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP CC[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071313921 176120488 /nfs/dbraw/zinc/12/04/88/176120488.db2.gz YMMMUBOFOYJGBC-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP c1cn([C@@H]2CCC[C@H]2[NH2+]Cc2cnn3ccccc23)c[nH+]1 ZINC000071373013 176138564 /nfs/dbraw/zinc/13/85/64/176138564.db2.gz AHFZLFMBWCIOSM-GDBMZVCRSA-N 2 2 281.363 2.414 10 0 CEAELP CCN(C(=O)C[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505528 177348091 /nfs/dbraw/zinc/34/80/91/177348091.db2.gz FRFCJMZMWJMZFL-GJZGRUSLSA-N 2 2 289.423 2.099 10 0 CEAELP CCN(C(=O)C[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505528 177348092 /nfs/dbraw/zinc/34/80/92/177348092.db2.gz FRFCJMZMWJMZFL-GJZGRUSLSA-N 2 2 289.423 2.099 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000133547340 419430323 /nfs/dbraw/zinc/43/03/23/419430323.db2.gz YYSXJAJBJREJRL-NTZNESFSSA-N 2 2 284.350 2.382 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579877 276217520 /nfs/dbraw/zinc/21/75/20/276217520.db2.gz QADFZTBHPPAZQC-CZUORRHYSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc(O)cc32)C1 ZINC000334579877 276217521 /nfs/dbraw/zinc/21/75/21/276217521.db2.gz QADFZTBHPPAZQC-CZUORRHYSA-N 2 2 260.381 2.453 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642625 289199804 /nfs/dbraw/zinc/19/98/04/289199804.db2.gz HCVDWBLYEKEJCW-OAHLLOKOSA-N 2 2 268.445 2.465 10 0 CEAELP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158771969 289240300 /nfs/dbraw/zinc/24/03/00/289240300.db2.gz UREVRSFVLQSCEG-CVEARBPZSA-N 2 2 291.439 2.359 10 0 CEAELP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158772084 289240372 /nfs/dbraw/zinc/24/03/72/289240372.db2.gz UREVRSFVLQSCEG-HZPDHXFCSA-N 2 2 291.439 2.359 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC(C)(C)C2)oc1C ZINC000052481785 519990340 /nfs/dbraw/zinc/99/03/40/519990340.db2.gz YSSGBNOMQFQEKS-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC(C)(C)C2)oc1C ZINC000052481785 519990346 /nfs/dbraw/zinc/99/03/46/519990346.db2.gz YSSGBNOMQFQEKS-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1CC)C(=O)OCC ZINC000068649469 520242312 /nfs/dbraw/zinc/24/23/12/520242312.db2.gz AJRFGZSKAVCGFS-SWLSCSKDSA-N 2 2 281.400 2.328 10 0 CEAELP CCNc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000050813740 520300430 /nfs/dbraw/zinc/30/04/30/520300430.db2.gz OXAJORHXIMHDLG-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000054555139 519803434 /nfs/dbraw/zinc/80/34/34/519803434.db2.gz GNXJMFSBXLWCPR-VHDGCEQUSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000054555139 519803435 /nfs/dbraw/zinc/80/34/35/519803435.db2.gz GNXJMFSBXLWCPR-VHDGCEQUSA-N 2 2 254.418 2.249 10 0 CEAELP CCC1CC[NH+](CCC[C@@](C)([NH2+]C)C(=O)OC)CC1 ZINC000045428417 519859146 /nfs/dbraw/zinc/85/91/46/519859146.db2.gz RQSYRUCYZWHEJM-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCOCC1(C)C ZINC000052546080 519959769 /nfs/dbraw/zinc/95/97/69/519959769.db2.gz WGXLAHWVLAUVSB-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1CCOCC1(C)C ZINC000052546080 519959778 /nfs/dbraw/zinc/95/97/78/519959778.db2.gz WGXLAHWVLAUVSB-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CC[NH2+]Cc1cc(OC)c(OC)cc1-c1[nH+]ccn1C ZINC000069473258 519993469 /nfs/dbraw/zinc/99/34/69/519993469.db2.gz KTRRVLDLOPPJPY-UHFFFAOYSA-N 2 2 275.352 2.214 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+]1CCOCC1 ZINC000054559499 520119923 /nfs/dbraw/zinc/11/99/23/520119923.db2.gz RUEXHHCBHRUWJQ-BZUAXINKSA-N 2 2 268.445 2.369 10 0 CEAELP CC[NH2+][C@@H]1COc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000062804657 520124935 /nfs/dbraw/zinc/12/49/35/520124935.db2.gz DYTYJHKJQGVIAJ-CQSZACIVSA-N 2 2 273.336 2.005 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069237573 520968140 /nfs/dbraw/zinc/96/81/40/520968140.db2.gz IQGNCYFWBKZFHI-CQSZACIVSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000069237573 520968144 /nfs/dbraw/zinc/96/81/44/520968144.db2.gz IQGNCYFWBKZFHI-CQSZACIVSA-N 2 2 278.396 2.436 10 0 CEAELP CCCC[C@@](CC)(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000069380158 521121384 /nfs/dbraw/zinc/12/13/84/521121384.db2.gz YOSXJWONILGZPW-AWEZNQCLSA-N 2 2 252.406 2.150 10 0 CEAELP CCCC[C@@](CC)(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000069380158 521121391 /nfs/dbraw/zinc/12/13/91/521121391.db2.gz YOSXJWONILGZPW-AWEZNQCLSA-N 2 2 252.406 2.150 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811574 521138935 /nfs/dbraw/zinc/13/89/35/521138935.db2.gz MVTJLCVDRAMRTG-ZDUSSCGKSA-N 2 2 262.353 2.401 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811574 521138939 /nfs/dbraw/zinc/13/89/39/521138939.db2.gz MVTJLCVDRAMRTG-ZDUSSCGKSA-N 2 2 262.353 2.401 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052543990 521564984 /nfs/dbraw/zinc/56/49/84/521564984.db2.gz SPJGKTJQXQCBNS-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052543990 521564991 /nfs/dbraw/zinc/56/49/91/521564991.db2.gz SPJGKTJQXQCBNS-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP C[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515479 522077552 /nfs/dbraw/zinc/07/75/52/522077552.db2.gz WMHDJUQAMOWESY-QGZVFWFLSA-N 3 2 275.440 2.221 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757617 522344217 /nfs/dbraw/zinc/34/42/17/522344217.db2.gz HZNHVTZZALSFLV-IJEWVQPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757617 522344231 /nfs/dbraw/zinc/34/42/31/522344231.db2.gz HZNHVTZZALSFLV-IJEWVQPXSA-N 2 2 277.412 2.097 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516769 522408392 /nfs/dbraw/zinc/40/83/92/522408392.db2.gz XUTFQXZTUUWYQQ-HNNXBMFYSA-N 2 2 270.417 2.040 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516769 522408397 /nfs/dbraw/zinc/40/83/97/522408397.db2.gz XUTFQXZTUUWYQQ-HNNXBMFYSA-N 2 2 270.417 2.040 10 0 CEAELP C[NH2+][C@H](C)C[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000068654165 522440920 /nfs/dbraw/zinc/44/09/20/522440920.db2.gz MBASLHSHLOVGPM-HUUCEWRRSA-N 2 2 291.439 2.204 10 0 CEAELP COc1ccc(-c2[nH+]ccn2C)cc1C[NH2+]C1CC1 ZINC000069473257 523240207 /nfs/dbraw/zinc/24/02/07/523240207.db2.gz DMGDOEPXFZYDMS-UHFFFAOYSA-N 2 2 257.337 2.348 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)Cc1cccnc1C(N)=[NH2+] ZINC000061657884 523310655 /nfs/dbraw/zinc/31/06/55/523310655.db2.gz VDZKUNCDQCVXTA-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)Cc1cccnc1C(N)=[NH2+] ZINC000061657884 523310669 /nfs/dbraw/zinc/31/06/69/523310669.db2.gz VDZKUNCDQCVXTA-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@H+](Cc1ccccn1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883325 523395757 /nfs/dbraw/zinc/39/57/57/523395757.db2.gz GMVZZMXJCQLEMV-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1ccccn1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883325 523395762 /nfs/dbraw/zinc/39/57/62/523395762.db2.gz GMVZZMXJCQLEMV-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP CC[C@@H]1COCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481503 523499693 /nfs/dbraw/zinc/49/96/93/523499693.db2.gz KMESAOLLABTRAF-CYBMUJFWSA-N 2 2 281.400 2.174 10 0 CEAELP CC[C@@H]1COCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481503 523499699 /nfs/dbraw/zinc/49/96/99/523499699.db2.gz KMESAOLLABTRAF-CYBMUJFWSA-N 2 2 281.400 2.174 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)[C@@H](C)COC ZINC000052572241 523781754 /nfs/dbraw/zinc/78/17/54/523781754.db2.gz WGPORUYPQARPBF-HOTGVXAUSA-N 2 2 288.476 2.240 10 0 CEAELP COCC[N@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)[C@@H](C)COC ZINC000052572241 523781758 /nfs/dbraw/zinc/78/17/58/523781758.db2.gz WGPORUYPQARPBF-HOTGVXAUSA-N 2 2 288.476 2.240 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000068648716 523819369 /nfs/dbraw/zinc/81/93/69/523819369.db2.gz VEJZBJFIJXGFKD-LRDDRELGSA-N 2 2 289.379 2.495 10 0 CEAELP C[C@H](CC[NH+](C)C)N[C@@H](c1ccco1)c1[nH+]ccn1C ZINC000049554133 524168091 /nfs/dbraw/zinc/16/80/91/524168091.db2.gz BZHSQFQADJEEBM-OCCSQVGLSA-N 2 2 276.384 2.032 10 0 CEAELP C[C@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374755 524194832 /nfs/dbraw/zinc/19/48/32/524194832.db2.gz POOCOSUSKYQWPF-CQSZACIVSA-N 2 2 291.414 2.478 10 0 CEAELP C[C@@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418231 524498521 /nfs/dbraw/zinc/49/85/21/524498521.db2.gz YFRKTTNVWYACEJ-AWEZNQCLSA-N 2 2 291.414 2.478 10 0 CEAELP C[C@H]1C[NH2+]C[C@H](C)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000069134803 524698795 /nfs/dbraw/zinc/69/87/95/524698795.db2.gz CMJGZMZBLKKFOP-QWRGUYRKSA-N 2 2 278.787 2.170 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757510 524838167 /nfs/dbraw/zinc/83/81/67/524838167.db2.gz PPBOEZNGZUTKRD-YUTCNCBUSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757510 524838177 /nfs/dbraw/zinc/83/81/77/524838177.db2.gz PPBOEZNGZUTKRD-YUTCNCBUSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068698952 524952472 /nfs/dbraw/zinc/95/24/72/524952472.db2.gz SREUFEQPKWCROS-WBVHZDCISA-N 2 2 284.407 2.308 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382749 525022195 /nfs/dbraw/zinc/02/21/95/525022195.db2.gz WUBCIGVOSPCSOB-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382749 525022183 /nfs/dbraw/zinc/02/21/83/525022183.db2.gz WUBCIGVOSPCSOB-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382345 525039936 /nfs/dbraw/zinc/03/99/36/525039936.db2.gz PMSPICYIABFCHJ-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382345 525039945 /nfs/dbraw/zinc/03/99/45/525039945.db2.gz PMSPICYIABFCHJ-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP Cc1[nH+]c[nH]c1CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000054797025 525460222 /nfs/dbraw/zinc/46/02/22/525460222.db2.gz BUMLDXLKAJCJNE-SWLSCSKDSA-N 2 2 264.417 2.318 10 0 CEAELP COc1cccc(C[N@H+](C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052722881 525913741 /nfs/dbraw/zinc/91/37/41/525913741.db2.gz IASMBAXXLAOPCF-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP COc1cccc(C[N@@H+](C)Cc2cc[nH+]c(NN)c2)c1 ZINC000052722881 525913747 /nfs/dbraw/zinc/91/37/47/525913747.db2.gz IASMBAXXLAOPCF-UHFFFAOYSA-N 2 2 272.352 2.008 10 0 CEAELP Cc1ncc(C[NH2+]C[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000049538861 527270747 /nfs/dbraw/zinc/27/07/47/527270747.db2.gz DFRDQJBXPSLSLC-ZDUSSCGKSA-N 2 2 261.394 2.111 10 0 CEAELP [NH3+][C@@H]1CCc2c1cccc2OCCCn1cc[nH+]c1 ZINC000062798243 527372000 /nfs/dbraw/zinc/37/20/00/527372000.db2.gz PIAGGXLHBIFPFR-CQSZACIVSA-N 2 2 257.337 2.298 10 0 CEAELP Cc1[nH+]ccn1CCN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000068693712 527427331 /nfs/dbraw/zinc/42/73/31/527427331.db2.gz OWJMVAVFIHUAFS-KRWDZBQOSA-N 2 2 284.407 2.012 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)CC[C@H]3CCC[NH2+]3)cc2[nH+]1 ZINC000261798542 629242702 /nfs/dbraw/zinc/24/27/02/629242702.db2.gz RBLQFDQWGUSTGX-LLVKDONJSA-N 2 2 272.352 2.342 10 0 CEAELP [NH3+]Cc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000036985444 361879485 /nfs/dbraw/zinc/87/94/85/361879485.db2.gz KSSZUBITAIJUMW-UHFFFAOYSA-N 2 2 252.115 2.094 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434309 539163750 /nfs/dbraw/zinc/16/37/50/539163750.db2.gz DASYIUKHBICCAM-OAHLLOKOSA-N 2 2 254.418 2.267 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434309 539163751 /nfs/dbraw/zinc/16/37/51/539163751.db2.gz DASYIUKHBICCAM-OAHLLOKOSA-N 2 2 254.418 2.267 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CSC1 ZINC000307486820 539263983 /nfs/dbraw/zinc/26/39/83/539263983.db2.gz VHWXQZKVTOVHBK-LBPRGKRZSA-N 2 2 250.411 2.212 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CSC1 ZINC000307486820 539263984 /nfs/dbraw/zinc/26/39/84/539263984.db2.gz VHWXQZKVTOVHBK-LBPRGKRZSA-N 2 2 250.411 2.212 10 0 CEAELP CCCOc1ccc(OCC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000128164166 187354372 /nfs/dbraw/zinc/35/43/72/187354372.db2.gz FSEQYBDUAQTFEG-AWEZNQCLSA-N 2 2 278.396 2.277 10 0 CEAELP CCCOc1ccc(OCC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000128164166 187354374 /nfs/dbraw/zinc/35/43/74/187354374.db2.gz FSEQYBDUAQTFEG-AWEZNQCLSA-N 2 2 278.396 2.277 10 0 CEAELP CC[NH2+]CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000053664379 362498077 /nfs/dbraw/zinc/49/80/77/362498077.db2.gz PSAONAUEIGINGP-UHFFFAOYSA-N 2 2 258.369 2.389 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1cccc(N(C)C)c1 ZINC000097310069 185583772 /nfs/dbraw/zinc/58/37/72/185583772.db2.gz UPMGBJLTCPZZAU-HNNXBMFYSA-N 2 2 272.396 2.379 10 0 CEAELP CC(C)[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468408 179073094 /nfs/dbraw/zinc/07/30/94/179073094.db2.gz YCHXOWLRDRVKCB-LSDHHAIUSA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468408 179073096 /nfs/dbraw/zinc/07/30/96/179073096.db2.gz YCHXOWLRDRVKCB-LSDHHAIUSA-N 2 2 266.429 2.266 10 0 CEAELP COCC[N@@H+]1C[C@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000085468459 179073626 /nfs/dbraw/zinc/07/36/26/179073626.db2.gz BTDJIOAFBADXPR-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1C[C@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000085468459 179073629 /nfs/dbraw/zinc/07/36/29/179073629.db2.gz BTDJIOAFBADXPR-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)C1 ZINC000085613203 179103309 /nfs/dbraw/zinc/10/33/09/179103309.db2.gz NHEXWARKAKANKG-PMPSAXMXSA-N 2 2 266.429 2.408 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)C1 ZINC000085613203 179103310 /nfs/dbraw/zinc/10/33/10/179103310.db2.gz NHEXWARKAKANKG-PMPSAXMXSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621607 179106109 /nfs/dbraw/zinc/10/61/09/179106109.db2.gz VPAXWWWYBPROPD-RHSMWYFYSA-N 2 2 284.407 2.345 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](c2ccccc2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621607 179106110 /nfs/dbraw/zinc/10/61/10/179106110.db2.gz VPAXWWWYBPROPD-RHSMWYFYSA-N 2 2 284.407 2.345 10 0 CEAELP CC[NH2+][C@H](CCO)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922550 179201432 /nfs/dbraw/zinc/20/14/32/179201432.db2.gz KXLKXLIQHPCRJC-HUUCEWRRSA-N 2 2 254.418 2.002 10 0 CEAELP CC[NH2+][C@H](CCO)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922550 179201435 /nfs/dbraw/zinc/20/14/35/179201435.db2.gz KXLKXLIQHPCRJC-HUUCEWRRSA-N 2 2 254.418 2.002 10 0 CEAELP C([C@H]1CCCOC1)[N@@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000086146242 179239014 /nfs/dbraw/zinc/23/90/14/179239014.db2.gz LELUEBBWCDNNEF-CQSZACIVSA-N 2 2 252.402 2.021 10 0 CEAELP C([C@H]1CCCOC1)[N@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000086146242 179239016 /nfs/dbraw/zinc/23/90/16/179239016.db2.gz LELUEBBWCDNNEF-CQSZACIVSA-N 2 2 252.402 2.021 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1Cc1[nH+]ccn1C ZINC000086264887 179260961 /nfs/dbraw/zinc/26/09/61/179260961.db2.gz MOHNZKXTWXFEPY-AWEZNQCLSA-N 2 2 276.428 2.163 10 0 CEAELP CC(C)C[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264877 179261455 /nfs/dbraw/zinc/26/14/55/179261455.db2.gz XPZABXMKGFQHGG-CABCVRRESA-N 2 2 278.444 2.265 10 0 CEAELP C1CCC([C@H]2C[N@@H+](C3CCOCC3)CCC[NH2+]2)CC1 ZINC000086287281 179264947 /nfs/dbraw/zinc/26/49/47/179264947.db2.gz KWVNIBQHEWPFQD-MRXNPFEDSA-N 2 2 266.429 2.410 10 0 CEAELP C1CCC([C@H]2C[N@H+](C3CCOCC3)CCC[NH2+]2)CC1 ZINC000086287281 179264949 /nfs/dbraw/zinc/26/49/49/179264949.db2.gz KWVNIBQHEWPFQD-MRXNPFEDSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1CC1CC[NH+](C)CC1 ZINC000086258978 179257276 /nfs/dbraw/zinc/25/72/76/179257276.db2.gz JQOWBEIKTRDVAT-MAUKXSAKSA-N 2 2 287.451 2.363 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)on1 ZINC000086292709 179266340 /nfs/dbraw/zinc/26/63/40/179266340.db2.gz ZKLPEAYCEPRNTH-MRXNPFEDSA-N 2 2 285.391 2.390 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@H](Cc3ccccc3)C2)on1 ZINC000086292709 179266341 /nfs/dbraw/zinc/26/63/41/179266341.db2.gz ZKLPEAYCEPRNTH-MRXNPFEDSA-N 2 2 285.391 2.390 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292449 179266563 /nfs/dbraw/zinc/26/65/63/179266563.db2.gz VDNJSNHYBWMUKA-SOUVJXGZSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292449 179266564 /nfs/dbraw/zinc/26/65/64/179266564.db2.gz VDNJSNHYBWMUKA-SOUVJXGZSA-N 2 2 254.418 2.123 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000086296432 179267673 /nfs/dbraw/zinc/26/76/73/179267673.db2.gz IOCCIFBNHBZOGA-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)cn1 ZINC000086296432 179267677 /nfs/dbraw/zinc/26/76/77/179267677.db2.gz IOCCIFBNHBZOGA-AWEZNQCLSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297887 179267689 /nfs/dbraw/zinc/26/76/89/179267689.db2.gz NRTCFLXQFXJFJN-OCCSQVGLSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297887 179267692 /nfs/dbraw/zinc/26/76/92/179267692.db2.gz NRTCFLXQFXJFJN-OCCSQVGLSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297664 179267714 /nfs/dbraw/zinc/26/77/14/179267714.db2.gz NHMBNGCCYGMSDB-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297664 179267716 /nfs/dbraw/zinc/26/77/16/179267716.db2.gz NHMBNGCCYGMSDB-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295859 179267768 /nfs/dbraw/zinc/26/77/68/179267768.db2.gz RJMWMIIPHWUUSI-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295859 179267772 /nfs/dbraw/zinc/26/77/72/179267772.db2.gz RJMWMIIPHWUUSI-AWEZNQCLSA-N 2 2 276.380 2.379 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)ccn1 ZINC000086296321 179267897 /nfs/dbraw/zinc/26/78/97/179267897.db2.gz XWCTXTIXYLMTQJ-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)ccn1 ZINC000086296321 179267899 /nfs/dbraw/zinc/26/78/99/179267899.db2.gz XWCTXTIXYLMTQJ-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296306 179268240 /nfs/dbraw/zinc/26/82/40/179268240.db2.gz RMUHWJHQBQYMHM-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296306 179268242 /nfs/dbraw/zinc/26/82/42/179268242.db2.gz RMUHWJHQBQYMHM-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000086629279 179313776 /nfs/dbraw/zinc/31/37/76/179313776.db2.gz NIFTVVQZNAGQGR-QWHCGFSZSA-N 2 2 259.353 2.151 10 0 CEAELP CCC[NH2+][C@@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833687 179349962 /nfs/dbraw/zinc/34/99/62/179349962.db2.gz YTBYGBRMZDCTDS-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CCC[NH2+][C@@]1(c2nccs2)CCC[N@@H+](C)CC1 ZINC000086833687 179349964 /nfs/dbraw/zinc/34/99/64/179349964.db2.gz YTBYGBRMZDCTDS-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CC[N@@H+]1CCC[C@@H](Nc2c(N(C)C)cc[nH+]c2OC)CC1 ZINC000086837886 179351775 /nfs/dbraw/zinc/35/17/75/179351775.db2.gz FHBBPBVZNJYHPF-CYBMUJFWSA-N 2 2 292.427 2.443 10 0 CEAELP CC[N@H+]1CCC[C@@H](Nc2c(N(C)C)cc[nH+]c2OC)CC1 ZINC000086837886 179351776 /nfs/dbraw/zinc/35/17/76/179351776.db2.gz FHBBPBVZNJYHPF-CYBMUJFWSA-N 2 2 292.427 2.443 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC[NH+](C)C2CCCC2)CC1 ZINC000086844949 179354664 /nfs/dbraw/zinc/35/46/64/179354664.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]CC[NH+](C)C2CCCC2)CC1 ZINC000086844949 179354666 /nfs/dbraw/zinc/35/46/66/179354666.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH+]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086844949 179354668 /nfs/dbraw/zinc/35/46/68/179354668.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH+]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086844949 179354669 /nfs/dbraw/zinc/35/46/69/179354669.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851310 179360020 /nfs/dbraw/zinc/36/00/20/179360020.db2.gz MLBSZQZFPIDXRW-ZDUSSCGKSA-N 2 2 253.415 2.420 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851310 179360021 /nfs/dbraw/zinc/36/00/21/179360021.db2.gz MLBSZQZFPIDXRW-ZDUSSCGKSA-N 2 2 253.415 2.420 10 0 CEAELP CCCc1nc([C@]2([NH3+])CCC[N@@H+](CCC)CC2)no1 ZINC000086851740 179359083 /nfs/dbraw/zinc/35/90/83/179359083.db2.gz KTYBBTBOEQURLH-AWEZNQCLSA-N 2 2 266.389 2.072 10 0 CEAELP CCCc1nc([C@]2([NH3+])CCC[N@H+](CCC)CC2)no1 ZINC000086851740 179359085 /nfs/dbraw/zinc/35/90/85/179359085.db2.gz KTYBBTBOEQURLH-AWEZNQCLSA-N 2 2 266.389 2.072 10 0 CEAELP CCCC1CC[NH+]([C@@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875624 179365212 /nfs/dbraw/zinc/36/52/12/179365212.db2.gz SPFQYSZXEUAVAW-HNNXBMFYSA-N 2 2 254.418 2.397 10 0 CEAELP C[N@H+](CC1CCCCC1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875269 179365589 /nfs/dbraw/zinc/36/55/89/179365589.db2.gz KMPQXMNKOLTJAS-OAHLLOKOSA-N 2 2 254.418 2.397 10 0 CEAELP C[N@@H+](CC1CCCCC1)[C@]1(C[NH3+])CCCOCC1 ZINC000086875269 179365590 /nfs/dbraw/zinc/36/55/90/179365590.db2.gz KMPQXMNKOLTJAS-OAHLLOKOSA-N 2 2 254.418 2.397 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875415 179365622 /nfs/dbraw/zinc/36/56/22/179365622.db2.gz UTJVKVWNEAXWKF-HNNXBMFYSA-N 2 2 272.433 2.021 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875415 179365623 /nfs/dbraw/zinc/36/56/23/179365623.db2.gz UTJVKVWNEAXWKF-HNNXBMFYSA-N 2 2 272.433 2.021 10 0 CEAELP C[C@H]1C[N@@H+]([C@@]2(C[NH3+])CCC[C@@H](C)CC2)[C@@H](C)CO1 ZINC000086890653 179366507 /nfs/dbraw/zinc/36/65/07/179366507.db2.gz KUASGQKMEKFHGN-QPSCCSFWSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@H]1C[N@H+]([C@@]2(C[NH3+])CCC[C@@H](C)CC2)[C@@H](C)CO1 ZINC000086890653 179366508 /nfs/dbraw/zinc/36/65/08/179366508.db2.gz KUASGQKMEKFHGN-QPSCCSFWSA-N 2 2 254.418 2.393 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC(C)C)cc1F ZINC000086983536 179374086 /nfs/dbraw/zinc/37/40/86/179374086.db2.gz OMMSOROFEUCVOK-CYBMUJFWSA-N 2 2 254.349 2.422 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC(C)C)cc1F ZINC000086983536 179374090 /nfs/dbraw/zinc/37/40/90/179374090.db2.gz OMMSOROFEUCVOK-CYBMUJFWSA-N 2 2 254.349 2.422 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616615395 348535033 /nfs/dbraw/zinc/53/50/33/348535033.db2.gz XVHJVJIBELZDJE-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616615395 348535037 /nfs/dbraw/zinc/53/50/37/348535037.db2.gz XVHJVJIBELZDJE-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616621490 348537463 /nfs/dbraw/zinc/53/74/63/348537463.db2.gz QCDFZLMRFXGHSH-INIZCTEOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616621490 348537465 /nfs/dbraw/zinc/53/74/65/348537465.db2.gz QCDFZLMRFXGHSH-INIZCTEOSA-N 2 2 255.365 2.373 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@@H]1Cc2ccccc2O1 ZINC000090875326 180050584 /nfs/dbraw/zinc/05/05/84/180050584.db2.gz VVSXJAVOJKYOTI-HNNXBMFYSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@@H]1Cc2ccccc2O1 ZINC000090875326 180050585 /nfs/dbraw/zinc/05/05/85/180050585.db2.gz VVSXJAVOJKYOTI-HNNXBMFYSA-N 2 2 262.397 2.310 10 0 CEAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875369 180050973 /nfs/dbraw/zinc/05/09/73/180050973.db2.gz PFUZWDQVDGXTKR-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP CC[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875369 180050974 /nfs/dbraw/zinc/05/09/74/180050974.db2.gz PFUZWDQVDGXTKR-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893473 180054803 /nfs/dbraw/zinc/05/48/03/180054803.db2.gz NSGCYPMAUIEEKY-DFBGVHRSSA-N 2 2 278.371 2.331 10 0 CEAELP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893473 180054804 /nfs/dbraw/zinc/05/48/04/180054804.db2.gz NSGCYPMAUIEEKY-DFBGVHRSSA-N 2 2 278.371 2.331 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893494 180055325 /nfs/dbraw/zinc/05/53/25/180055325.db2.gz HOSLMAXNFTZBES-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893494 180055327 /nfs/dbraw/zinc/05/53/27/180055327.db2.gz HOSLMAXNFTZBES-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C[NH+](C)C)C(C)C)O2 ZINC000090897648 180057329 /nfs/dbraw/zinc/05/73/29/180057329.db2.gz NCSUGWIGIJOFGI-CVEARBPZSA-N 2 2 276.424 2.474 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898953 180058023 /nfs/dbraw/zinc/05/80/23/180058023.db2.gz HQJKYATUJKQQSJ-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898953 180058026 /nfs/dbraw/zinc/05/80/26/180058026.db2.gz HQJKYATUJKQQSJ-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898942 180058163 /nfs/dbraw/zinc/05/81/63/180058163.db2.gz MMQWWVFUZWHMFQ-OAHLLOKOSA-N 2 2 262.397 2.359 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898942 180058164 /nfs/dbraw/zinc/05/81/64/180058164.db2.gz MMQWWVFUZWHMFQ-OAHLLOKOSA-N 2 2 262.397 2.359 10 0 CEAELP C[C@@H]1CC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1[NH3+] ZINC000090900191 180059242 /nfs/dbraw/zinc/05/92/42/180059242.db2.gz XEXOOBMLGIDLSM-SWHYSGLUSA-N 2 2 280.799 2.313 10 0 CEAELP C[C@@H]1CC[N@@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1[NH3+] ZINC000090900191 180059244 /nfs/dbraw/zinc/05/92/44/180059244.db2.gz XEXOOBMLGIDLSM-SWHYSGLUSA-N 2 2 280.799 2.313 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905998 180061103 /nfs/dbraw/zinc/06/11/03/180061103.db2.gz PQWIRCJGKMXTRG-VBNZEHGJSA-N 2 2 290.407 2.339 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905998 180061104 /nfs/dbraw/zinc/06/11/04/180061104.db2.gz PQWIRCJGKMXTRG-VBNZEHGJSA-N 2 2 290.407 2.339 10 0 CEAELP Cc1oc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C[NH2+]C(C)C ZINC000090907856 180061959 /nfs/dbraw/zinc/06/19/59/180061959.db2.gz ZCDTUSVVMFFQKN-GASCZTMLSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1oc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C[NH2+]C(C)C ZINC000090907856 180061960 /nfs/dbraw/zinc/06/19/60/180061960.db2.gz ZCDTUSVVMFFQKN-GASCZTMLSA-N 2 2 278.396 2.449 10 0 CEAELP Nc1ccccc1C[NH2+][C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000090961941 180076387 /nfs/dbraw/zinc/07/63/87/180076387.db2.gz DCGGDHLBLQQWJY-HUUCEWRRSA-N 2 2 256.353 2.349 10 0 CEAELP c1ncn(C2CC2)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277009 180119929 /nfs/dbraw/zinc/11/99/29/180119929.db2.gz SGFPTHWVGRWDFM-CJNGLKHVSA-N 2 2 274.412 2.182 10 0 CEAELP c1ncn(C2CC2)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277009 180119931 /nfs/dbraw/zinc/11/99/31/180119931.db2.gz SGFPTHWVGRWDFM-CJNGLKHVSA-N 2 2 274.412 2.182 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277009 180119933 /nfs/dbraw/zinc/11/99/33/180119933.db2.gz SGFPTHWVGRWDFM-CJNGLKHVSA-N 2 2 274.412 2.182 10 0 CEAELP C[C@@H]1CN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C[C@H](C)S1 ZINC000091276593 180120449 /nfs/dbraw/zinc/12/04/49/180120449.db2.gz WKNQPVNUDPCHAE-LOWVWBTDSA-N 2 2 280.441 2.044 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N1CCCCCCC1 ZINC000091276207 180120477 /nfs/dbraw/zinc/12/04/77/180120477.db2.gz VKHPMUZYVBSRNU-CQSZACIVSA-N 2 2 262.401 2.484 10 0 CEAELP COc1ccccc1N[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276637 180120563 /nfs/dbraw/zinc/12/05/63/180120563.db2.gz YYXZRZMEDYHEJX-CYBMUJFWSA-N 2 2 272.352 2.339 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(Cl)cc1C[NH3+] ZINC000091278239 180120893 /nfs/dbraw/zinc/12/08/93/180120893.db2.gz GYFXYPVRVRDJDQ-UHFFFAOYSA-N 2 2 251.717 2.111 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463318 180162227 /nfs/dbraw/zinc/16/22/27/180162227.db2.gz VTOQRJAUUBRGGB-LCSXWQTCSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1C)[N@@H+](C)CC1CC(O)C1 ZINC000091463318 180162229 /nfs/dbraw/zinc/16/22/29/180162229.db2.gz VTOQRJAUUBRGGB-LCSXWQTCSA-N 2 2 276.424 2.476 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)[N@H+](C)CC1CC(O)C1 ZINC000091464584 180163174 /nfs/dbraw/zinc/16/31/74/180163174.db2.gz HWWUGMHDDLVULQ-XFDZKNAHSA-N 2 2 288.844 2.493 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)[N@@H+](C)CC1CC(O)C1 ZINC000091464584 180163176 /nfs/dbraw/zinc/16/31/76/180163176.db2.gz HWWUGMHDDLVULQ-XFDZKNAHSA-N 2 2 288.844 2.493 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCN(c2nccs2)CC1 ZINC000091402439 180147196 /nfs/dbraw/zinc/14/71/96/180147196.db2.gz YIYQPXBRUHEGNL-CYBMUJFWSA-N 2 2 296.484 2.289 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)CN(C)Cc1[nH+]ccn1C ZINC000091404868 180147213 /nfs/dbraw/zinc/14/72/13/180147213.db2.gz QPBBWSCQNWIYKN-ZDUSSCGKSA-N 2 2 266.433 2.266 10 0 CEAELP CCc1cc(C[C@H]([NH2+]C)C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564880 180193518 /nfs/dbraw/zinc/19/35/18/180193518.db2.gz KMWDUGYFJUMHSA-INIZCTEOSA-N 2 2 292.471 2.378 10 0 CEAELP C[NH2+][C@@H](Cc1cc(C)nn1C)C(C)(C)[NH+]1CCCCC1 ZINC000091564882 180193525 /nfs/dbraw/zinc/19/35/25/180193525.db2.gz LHVWISYDCRMSHZ-HNNXBMFYSA-N 2 2 278.444 2.124 10 0 CEAELP CC(C)([C@H](N)c1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567875 180194748 /nfs/dbraw/zinc/19/47/48/180194748.db2.gz XFXQNGWYVREEPW-CQSZACIVSA-N 2 2 262.401 2.318 10 0 CEAELP CCN(CC)[C@](C)(CC)[C@@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000091599202 180202668 /nfs/dbraw/zinc/20/26/68/180202668.db2.gz CFMBWRIDKLRAKN-HZPDHXFCSA-N 2 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](Cc1c[nH+]ccc1N)NC ZINC000091599202 180202669 /nfs/dbraw/zinc/20/26/69/180202669.db2.gz CFMBWRIDKLRAKN-HZPDHXFCSA-N 2 2 278.444 2.305 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCC1 ZINC000091609001 180205475 /nfs/dbraw/zinc/20/54/75/180205475.db2.gz BEHQXPMGCVWSFK-ZBFHGGJFSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091609001 180205478 /nfs/dbraw/zinc/20/54/78/180205478.db2.gz BEHQXPMGCVWSFK-ZBFHGGJFSA-N 2 2 276.428 2.188 10 0 CEAELP CCC[NH2+][C@H](Cc1cnn(CC)c1)C(C)(C)[NH+](C)C ZINC000091529399 180180464 /nfs/dbraw/zinc/18/04/64/180180464.db2.gz AOJHCSWKAWSBQR-CQSZACIVSA-N 2 2 266.433 2.154 10 0 CEAELP C[NH2+][C@H](Cc1ccccc1OC)C(C)(C)[NH+](C)C ZINC000091528848 180180656 /nfs/dbraw/zinc/18/06/56/180180656.db2.gz NAUQSLWGHMJNTA-CQSZACIVSA-N 2 2 250.386 2.166 10 0 CEAELP CCCn1ccnc1[C@@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716264 180232949 /nfs/dbraw/zinc/23/29/49/180232949.db2.gz KRHYSDLCMSVDDA-CYBMUJFWSA-N 2 2 252.406 2.286 10 0 CEAELP CCC[NH2+][C@@H](Cc1cccc(OC)c1)C[NH+](C)C ZINC000091719914 180234637 /nfs/dbraw/zinc/23/46/37/180234637.db2.gz CZHGOQKOINSUBE-AWEZNQCLSA-N 2 2 250.386 2.168 10 0 CEAELP C[NH2+][C@H](c1ccc(C)s1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721497 180238402 /nfs/dbraw/zinc/23/84/02/180238402.db2.gz HBWDTGQPNUQIRN-DYEKYZERSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@H](c1ccc(C)s1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721497 180238403 /nfs/dbraw/zinc/23/84/03/180238403.db2.gz HBWDTGQPNUQIRN-DYEKYZERSA-N 2 2 266.410 2.180 10 0 CEAELP O[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)C[NH+]1CCCCC1 ZINC000151302227 539781094 /nfs/dbraw/zinc/78/10/94/539781094.db2.gz VKKODQWSFMSBFS-WBVHZDCISA-N 2 2 292.398 2.249 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1CCC[NH2+]C(C)C ZINC000091723657 180242210 /nfs/dbraw/zinc/24/22/10/180242210.db2.gz YDWICYMQUFWMOG-UHFFFAOYSA-N 2 2 264.417 2.086 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087514 180321018 /nfs/dbraw/zinc/32/10/18/180321018.db2.gz RBALNQUVOGUIHI-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087514 180321019 /nfs/dbraw/zinc/32/10/19/180321019.db2.gz RBALNQUVOGUIHI-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@H]1COc2ccccc21 ZINC000092306747 180360288 /nfs/dbraw/zinc/36/02/88/180360288.db2.gz VYFSMEHYNYDPQJ-ZDUSSCGKSA-N 2 2 271.364 2.477 10 0 CEAELP C[C@H](C[NH2+]C[C@@H]1CSc2ccccc21)[NH+](C)C ZINC000092275331 180356359 /nfs/dbraw/zinc/35/63/59/180356359.db2.gz BUPLYWQZARQNCX-VXGBXAGGSA-N 2 2 250.411 2.416 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342893 180366521 /nfs/dbraw/zinc/36/65/21/180366521.db2.gz LMPPVXPZSUYHIL-AWEZNQCLSA-N 2 2 251.374 2.255 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342893 180366523 /nfs/dbraw/zinc/36/65/23/180366523.db2.gz LMPPVXPZSUYHIL-AWEZNQCLSA-N 2 2 251.374 2.255 10 0 CEAELP CCNc1cccc(CN(C)[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000092370222 180369900 /nfs/dbraw/zinc/36/99/00/180369900.db2.gz GMFYSLRZDZWORL-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN(C)[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000092370222 180369901 /nfs/dbraw/zinc/36/99/01/180369901.db2.gz GMFYSLRZDZWORL-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000092418744 180381252 /nfs/dbraw/zinc/38/12/52/180381252.db2.gz IVEIBFLAJMCKAA-CQSZACIVSA-N 2 2 295.427 2.387 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](CCOC)[C@H](C)COC)c1 ZINC000092418744 180381253 /nfs/dbraw/zinc/38/12/53/180381253.db2.gz IVEIBFLAJMCKAA-CQSZACIVSA-N 2 2 295.427 2.387 10 0 CEAELP C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1n1cc[nH+]c1 ZINC000092386053 180374072 /nfs/dbraw/zinc/37/40/72/180374072.db2.gz DOYRGZFOGRQMOV-HUUCEWRRSA-N 2 2 257.337 2.340 10 0 CEAELP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)C2)c(Cl)c1OC ZINC000110821651 186327768 /nfs/dbraw/zinc/32/77/68/186327768.db2.gz ILLVQWOZHZEMMV-LLVKDONJSA-N 2 2 298.814 2.399 10 0 CEAELP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c(Cl)c1OC ZINC000110821651 186327769 /nfs/dbraw/zinc/32/77/69/186327769.db2.gz ILLVQWOZHZEMMV-LLVKDONJSA-N 2 2 298.814 2.399 10 0 CEAELP COc1ccc([C@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926519 186333954 /nfs/dbraw/zinc/33/39/54/186333954.db2.gz LHKMOUHQLXKRAE-GXTWGEPZSA-N 2 2 278.396 2.449 10 0 CEAELP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926519 186333956 /nfs/dbraw/zinc/33/39/56/186333956.db2.gz LHKMOUHQLXKRAE-GXTWGEPZSA-N 2 2 278.396 2.449 10 0 CEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159374 186361947 /nfs/dbraw/zinc/36/19/47/186361947.db2.gz IEUFLDUNVXONKL-HIFRSBDPSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159374 186361949 /nfs/dbraw/zinc/36/19/49/186361949.db2.gz IEUFLDUNVXONKL-HIFRSBDPSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157636 186362247 /nfs/dbraw/zinc/36/22/47/186362247.db2.gz COQMCGRJGMAFIR-QLFBSQMISA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157636 186362248 /nfs/dbraw/zinc/36/22/48/186362248.db2.gz COQMCGRJGMAFIR-QLFBSQMISA-N 2 2 254.418 2.252 10 0 CEAELP COc1ccc([C@@H](C)O)cc1C[N@H+](C)CCC[NH+](C)C ZINC000111143769 186358305 /nfs/dbraw/zinc/35/83/05/186358305.db2.gz YYJZTZACWRQWBN-CYBMUJFWSA-N 2 2 280.412 2.132 10 0 CEAELP COc1ccc([C@@H](C)O)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111143769 186358306 /nfs/dbraw/zinc/35/83/06/186358306.db2.gz YYJZTZACWRQWBN-CYBMUJFWSA-N 2 2 280.412 2.132 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148245 186358690 /nfs/dbraw/zinc/35/86/90/186358690.db2.gz BJXRXSSJDYVNLV-CVEARBPZSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148245 186358692 /nfs/dbraw/zinc/35/86/92/186358692.db2.gz BJXRXSSJDYVNLV-CVEARBPZSA-N 3 2 269.477 2.428 10 0 CEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174734 186364638 /nfs/dbraw/zinc/36/46/38/186364638.db2.gz HOBTWRXMINIXDJ-GJZGRUSLSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174734 186364639 /nfs/dbraw/zinc/36/46/39/186364639.db2.gz HOBTWRXMINIXDJ-GJZGRUSLSA-N 2 2 256.434 2.367 10 0 CEAELP C[NH+](C)C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317913 186395322 /nfs/dbraw/zinc/39/53/22/186395322.db2.gz BDGLWCMWTQOALV-ZBFHGGJFSA-N 2 2 262.397 2.306 10 0 CEAELP CC(C)(C)[NH2+]C[C@]1(C[N@@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325801 186398726 /nfs/dbraw/zinc/39/87/26/186398726.db2.gz ODUVDGQVQHXNGC-KRWDZBQOSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[NH2+]C[C@]1(C[N@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325801 186398727 /nfs/dbraw/zinc/39/87/27/186398727.db2.gz ODUVDGQVQHXNGC-KRWDZBQOSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@@H]([NH3+])Cc1ccc(N(C)Cc2[nH+]ccn2C)cc1 ZINC000111500161 186424857 /nfs/dbraw/zinc/42/48/57/186424857.db2.gz GTHNHZUFLKGWSH-CQSZACIVSA-N 2 2 272.396 2.336 10 0 CEAELP CCc1ccc(C[N@@H+]2C[C@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366201 351713104 /nfs/dbraw/zinc/71/31/04/351713104.db2.gz UICQINMPYMVRFK-CVEARBPZSA-N 2 2 262.397 2.187 10 0 CEAELP CCc1ccc(C[N@H+]2C[C@H](OC)C[C@@]2(C)C[NH3+])cc1 ZINC000630366201 351713107 /nfs/dbraw/zinc/71/31/07/351713107.db2.gz UICQINMPYMVRFK-CVEARBPZSA-N 2 2 262.397 2.187 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368073 351714663 /nfs/dbraw/zinc/71/46/63/351714663.db2.gz QFAPNOAWXVWYBJ-GJZGRUSLSA-N 2 2 266.360 2.072 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368073 351714666 /nfs/dbraw/zinc/71/46/66/351714666.db2.gz QFAPNOAWXVWYBJ-GJZGRUSLSA-N 2 2 266.360 2.072 10 0 CEAELP COc1ccc[nH+]c1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000630518069 351769992 /nfs/dbraw/zinc/76/99/92/351769992.db2.gz WBFWKTOZTBKIAW-AWEZNQCLSA-N 2 2 275.396 2.306 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000133070633 366193149 /nfs/dbraw/zinc/19/31/49/366193149.db2.gz KKGVJRZOWAWJOR-GOEBONIOSA-N 2 2 299.422 2.402 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000133070633 366193153 /nfs/dbraw/zinc/19/31/53/366193153.db2.gz KKGVJRZOWAWJOR-GOEBONIOSA-N 2 2 299.422 2.402 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384793866 540218288 /nfs/dbraw/zinc/21/82/88/540218288.db2.gz XFMJMZKELUUNQF-PMPSAXMXSA-N 2 2 268.445 2.392 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384793866 540218290 /nfs/dbraw/zinc/21/82/90/540218290.db2.gz XFMJMZKELUUNQF-PMPSAXMXSA-N 2 2 268.445 2.392 10 0 CEAELP c1csc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000135091582 366393823 /nfs/dbraw/zinc/39/38/23/366393823.db2.gz NCLNQNMKKUDJFC-LBPRGKRZSA-N 2 2 274.393 2.472 10 0 CEAELP c1csc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000135091582 366393830 /nfs/dbraw/zinc/39/38/30/366393830.db2.gz NCLNQNMKKUDJFC-LBPRGKRZSA-N 2 2 274.393 2.472 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000578062609 366437055 /nfs/dbraw/zinc/43/70/55/366437055.db2.gz ADQPLBWDYMJZRL-LSDHHAIUSA-N 3 2 255.450 2.083 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954148 540649485 /nfs/dbraw/zinc/64/94/85/540649485.db2.gz LMAHXKFIGJWOKP-CZUORRHYSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954148 540649488 /nfs/dbraw/zinc/64/94/88/540649488.db2.gz LMAHXKFIGJWOKP-CZUORRHYSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955155 540650636 /nfs/dbraw/zinc/65/06/36/540650636.db2.gz UUKZJVFSPQPXMZ-ZDUSSCGKSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955155 540650638 /nfs/dbraw/zinc/65/06/38/540650638.db2.gz UUKZJVFSPQPXMZ-ZDUSSCGKSA-N 2 2 297.443 2.198 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000178297378 189103581 /nfs/dbraw/zinc/10/35/81/189103581.db2.gz FFTGLXZOJAQJEI-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000178297378 189103582 /nfs/dbraw/zinc/10/35/82/189103582.db2.gz FFTGLXZOJAQJEI-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2[nH+]ccn21 ZINC000180161873 189240589 /nfs/dbraw/zinc/24/05/89/189240589.db2.gz AAUCZXPPEJPXAY-AWEZNQCLSA-N 2 2 272.396 2.250 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc2[nH+]ccn21 ZINC000180161873 189240590 /nfs/dbraw/zinc/24/05/90/189240590.db2.gz AAUCZXPPEJPXAY-AWEZNQCLSA-N 2 2 272.396 2.250 10 0 CEAELP C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649570 189267933 /nfs/dbraw/zinc/26/79/33/189267933.db2.gz NAHOSVAIMNLNGT-ZDUSSCGKSA-N 2 2 298.390 2.144 10 0 CEAELP Cc1n[nH]cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812955 364110702 /nfs/dbraw/zinc/11/07/02/364110702.db2.gz RJSWRPPAFSFNPF-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1n[nH]cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812955 364110704 /nfs/dbraw/zinc/11/07/04/364110704.db2.gz RJSWRPPAFSFNPF-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000095071155 364331510 /nfs/dbraw/zinc/33/15/10/364331510.db2.gz GPNVZZQKVJDJFX-VIFPVBQESA-N 2 2 259.806 2.228 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000095071155 364331518 /nfs/dbraw/zinc/33/15/18/364331518.db2.gz GPNVZZQKVJDJFX-VIFPVBQESA-N 2 2 259.806 2.228 10 0 CEAELP C[NH+](C)C1CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000572179581 299351154 /nfs/dbraw/zinc/35/11/54/299351154.db2.gz ZRJMWWCWHWJZEP-UHFFFAOYSA-N 2 2 255.365 2.417 10 0 CEAELP CCOC(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171037650 367465960 /nfs/dbraw/zinc/46/59/60/367465960.db2.gz YHGKDECDGJPVRM-AWEZNQCLSA-N 2 2 291.395 2.159 10 0 CEAELP CCOC(=O)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171037650 367465965 /nfs/dbraw/zinc/46/59/65/367465965.db2.gz YHGKDECDGJPVRM-AWEZNQCLSA-N 2 2 291.395 2.159 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000631839717 367581266 /nfs/dbraw/zinc/58/12/66/367581266.db2.gz KBLXAYSHKZVFCS-GHMZBOCLSA-N 2 2 253.415 2.293 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cs1 ZINC000631839717 367581273 /nfs/dbraw/zinc/58/12/73/367581273.db2.gz KBLXAYSHKZVFCS-GHMZBOCLSA-N 2 2 253.415 2.293 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000631843407 367586140 /nfs/dbraw/zinc/58/61/40/367586140.db2.gz NGSFEPLNBLMNDT-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Cl)c1 ZINC000631843407 367586146 /nfs/dbraw/zinc/58/61/46/367586146.db2.gz NGSFEPLNBLMNDT-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP CC(C)COC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181462085 368456845 /nfs/dbraw/zinc/45/68/45/368456845.db2.gz LGZXTKQYOLWTKD-AWEZNQCLSA-N 2 2 291.395 2.015 10 0 CEAELP CC(C)COC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181462085 368456849 /nfs/dbraw/zinc/45/68/49/368456849.db2.gz LGZXTKQYOLWTKD-AWEZNQCLSA-N 2 2 291.395 2.015 10 0 CEAELP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182933802 368599773 /nfs/dbraw/zinc/59/97/73/368599773.db2.gz IWPBASLFPOHIFD-QLFBSQMISA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182933802 368599778 /nfs/dbraw/zinc/59/97/78/368599778.db2.gz IWPBASLFPOHIFD-QLFBSQMISA-N 2 2 254.418 2.075 10 0 CEAELP c1cn(CC[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000276124140 193219881 /nfs/dbraw/zinc/21/98/81/193219881.db2.gz XXRZBRHINRLPBB-OAHLLOKOSA-N 2 2 285.395 2.322 10 0 CEAELP c1cn(CC[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000276124140 193219883 /nfs/dbraw/zinc/21/98/83/193219883.db2.gz XXRZBRHINRLPBB-OAHLLOKOSA-N 2 2 285.395 2.322 10 0 CEAELP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000194968806 370091427 /nfs/dbraw/zinc/09/14/27/370091427.db2.gz SQNYJOYXOXYMBS-KBMXLJTQSA-N 2 2 262.397 2.304 10 0 CEAELP CCN(C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000231670475 370487506 /nfs/dbraw/zinc/48/75/06/370487506.db2.gz GJDMBNZIIVTQQY-HNNXBMFYSA-N 2 2 289.423 2.113 10 0 CEAELP CCN(C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000231670475 370487510 /nfs/dbraw/zinc/48/75/10/370487510.db2.gz GJDMBNZIIVTQQY-HNNXBMFYSA-N 2 2 289.423 2.113 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000250241037 371381289 /nfs/dbraw/zinc/38/12/89/371381289.db2.gz HHSQHDALPATEMF-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(C)C)C2)C1 ZINC000250241037 371381295 /nfs/dbraw/zinc/38/12/95/371381295.db2.gz HHSQHDALPATEMF-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000261917238 371768865 /nfs/dbraw/zinc/76/88/65/371768865.db2.gz JYQWXWBIRMWGFO-ZDUSSCGKSA-N 2 2 290.436 2.462 10 0 CEAELP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000261917238 371768870 /nfs/dbraw/zinc/76/88/70/371768870.db2.gz JYQWXWBIRMWGFO-ZDUSSCGKSA-N 2 2 290.436 2.462 10 0 CEAELP CC(C)n1cc[nH+]c1Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641051849 372259095 /nfs/dbraw/zinc/25/90/95/372259095.db2.gz SJUBNUSMCCYHOB-CYBMUJFWSA-N 2 2 276.388 2.150 10 0 CEAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000562959197 377037220 /nfs/dbraw/zinc/03/72/20/377037220.db2.gz CNUZTRWATRFGPU-CABCVRRESA-N 3 2 267.461 2.229 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205250 184655085 /nfs/dbraw/zinc/65/50/85/184655085.db2.gz CNSNYEZNGKVHQL-KBPBESRZSA-N 2 2 299.459 2.364 10 0 CEAELP [NH3+][C@H]1Cc2ccccc2N(Cc2c[nH+]cn2C2CC2)C1 ZINC000090237686 135063141 /nfs/dbraw/zinc/06/31/41/135063141.db2.gz UJWBYCKXJNQSFA-ZDUSSCGKSA-N 2 2 268.364 2.108 10 0 CEAELP C[NH2+]C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090802009 135065645 /nfs/dbraw/zinc/06/56/45/135065645.db2.gz DEVWBICTTBMEEB-UHFFFAOYSA-N 2 2 259.275 2.289 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999880 394534014 /nfs/dbraw/zinc/53/40/14/394534014.db2.gz DJMPNRXYLVVBJB-ZDUSSCGKSA-N 2 2 299.459 2.364 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999880 394534020 /nfs/dbraw/zinc/53/40/20/394534020.db2.gz DJMPNRXYLVVBJB-ZDUSSCGKSA-N 2 2 299.459 2.364 10 0 CEAELP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516346 153291495 /nfs/dbraw/zinc/29/14/95/153291495.db2.gz UUOXXSQKJQLJSO-ZIAGYGMSSA-N 2 2 291.395 2.075 10 0 CEAELP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516346 153291503 /nfs/dbraw/zinc/29/15/03/153291503.db2.gz UUOXXSQKJQLJSO-ZIAGYGMSSA-N 2 2 291.395 2.075 10 0 CEAELP C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862805 165263980 /nfs/dbraw/zinc/26/39/80/165263980.db2.gz HDCNHIJEYGNDNG-HIFRSBDPSA-N 2 2 298.390 2.192 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221708 173041971 /nfs/dbraw/zinc/04/19/71/173041971.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 3 2 269.477 2.283 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221708 173041974 /nfs/dbraw/zinc/04/19/74/173041974.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 3 2 269.477 2.283 10 0 CEAELP COc1ccccc1C[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639204 174364038 /nfs/dbraw/zinc/36/40/38/174364038.db2.gz NMNUXLVVSWNPSJ-ZDUSSCGKSA-N 2 2 273.380 2.192 10 0 CEAELP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1O ZINC000040672151 174370399 /nfs/dbraw/zinc/37/03/99/174370399.db2.gz FVBFYQZIJNXGAW-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1O ZINC000040672151 174370400 /nfs/dbraw/zinc/37/04/00/174370400.db2.gz FVBFYQZIJNXGAW-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693675 174377478 /nfs/dbraw/zinc/37/74/78/174377478.db2.gz OJVHXTWCODGJGU-HOCLYGCPSA-N 3 2 265.445 2.064 10 0 CEAELP COc1ccc(C(C)=O)cc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750317 174394699 /nfs/dbraw/zinc/39/46/99/174394699.db2.gz JZJOBGDKLKEEFE-MQVJKMGUSA-N 2 2 288.391 2.352 10 0 CEAELP COc1ccc(C(C)=O)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750317 174394700 /nfs/dbraw/zinc/39/47/00/174394700.db2.gz JZJOBGDKLKEEFE-MQVJKMGUSA-N 2 2 288.391 2.352 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1C ZINC000040750024 174394952 /nfs/dbraw/zinc/39/49/52/174394952.db2.gz PWBKEGHUPPNOQH-VHRNVKJDSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1C ZINC000040750024 174394953 /nfs/dbraw/zinc/39/49/53/174394953.db2.gz PWBKEGHUPPNOQH-VHRNVKJDSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1[nH+]cc(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)n1C ZINC000657430215 414932075 /nfs/dbraw/zinc/93/20/75/414932075.db2.gz ZLKRRHRPRPETLY-AWEZNQCLSA-N 2 2 286.423 2.339 10 0 CEAELP Cc1[nH+]cc(CN[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1C ZINC000657430215 414932079 /nfs/dbraw/zinc/93/20/79/414932079.db2.gz ZLKRRHRPRPETLY-AWEZNQCLSA-N 2 2 286.423 2.339 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(OC)CC1 ZINC000043334788 175010554 /nfs/dbraw/zinc/01/05/54/175010554.db2.gz FOMZZAKDIRAYMZ-GXTWGEPZSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CC)[C@@H](C)COC ZINC000043336294 175012122 /nfs/dbraw/zinc/01/21/22/175012122.db2.gz NJECBXIMMJSFLS-OUCADQQQSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CC)[C@@H](C)COC ZINC000043336294 175012123 /nfs/dbraw/zinc/01/21/23/175012123.db2.gz NJECBXIMMJSFLS-OUCADQQQSA-N 2 2 254.374 2.415 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340841 175014360 /nfs/dbraw/zinc/01/43/60/175014360.db2.gz KGILPGZHJAXIMN-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340841 175014362 /nfs/dbraw/zinc/01/43/62/175014362.db2.gz KGILPGZHJAXIMN-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347090 175017919 /nfs/dbraw/zinc/01/79/19/175017919.db2.gz DQAZNCNYSCJMSX-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347090 175017920 /nfs/dbraw/zinc/01/79/20/175017920.db2.gz DQAZNCNYSCJMSX-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347092 175018243 /nfs/dbraw/zinc/01/82/43/175018243.db2.gz DQAZNCNYSCJMSX-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347092 175018244 /nfs/dbraw/zinc/01/82/44/175018244.db2.gz DQAZNCNYSCJMSX-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C2CCOCC2)o1 ZINC000043364458 175025634 /nfs/dbraw/zinc/02/56/34/175025634.db2.gz SLINXOBSBBQRAV-BXUZGUMPSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C2CCOCC2)o1 ZINC000043364458 175025635 /nfs/dbraw/zinc/02/56/35/175025635.db2.gz SLINXOBSBBQRAV-BXUZGUMPSA-N 2 2 252.358 2.087 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCCCC1)OCCO2 ZINC000043812220 175111020 /nfs/dbraw/zinc/11/10/20/175111020.db2.gz VSUDZEXNMLIKSM-GJZGRUSLSA-N 2 2 282.428 2.136 10 0 CEAELP CC[N@H+](C1CCCC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890564 175118169 /nfs/dbraw/zinc/11/81/69/175118169.db2.gz DGVHVZMWSNGUKA-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[N@@H+](C1CCCC1)[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890564 175118170 /nfs/dbraw/zinc/11/81/70/175118170.db2.gz DGVHVZMWSNGUKA-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[C@@H]1COCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898898 175121398 /nfs/dbraw/zinc/12/13/98/175121398.db2.gz VWLIQBKGJQQYDH-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1COCC[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898898 175121399 /nfs/dbraw/zinc/12/13/99/175121399.db2.gz VWLIQBKGJQQYDH-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898762 175121512 /nfs/dbraw/zinc/12/15/12/175121512.db2.gz ABHBCHKYJPMHCW-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898762 175121513 /nfs/dbraw/zinc/12/15/13/175121513.db2.gz ABHBCHKYJPMHCW-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915357 175124162 /nfs/dbraw/zinc/12/41/62/175124162.db2.gz YILKSEIMRJYWMF-BBWFWOEESA-N 2 2 276.424 2.489 10 0 CEAELP C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915357 175124163 /nfs/dbraw/zinc/12/41/63/175124163.db2.gz YILKSEIMRJYWMF-BBWFWOEESA-N 2 2 276.424 2.489 10 0 CEAELP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)[NH+](CCOC)CCOC ZINC000043912616 175124166 /nfs/dbraw/zinc/12/41/66/175124166.db2.gz NMMALRXACVVSDY-IRXDYDNUSA-N 2 2 294.439 2.321 10 0 CEAELP CC[NH2+][C@H]1CCCCCC[C@@H]1[NH+](CCOC)CCOC ZINC000043912745 175124649 /nfs/dbraw/zinc/12/46/49/175124649.db2.gz LEMGIJRXHLYMLQ-HOTGVXAUSA-N 2 2 286.460 2.282 10 0 CEAELP CC[NH2+][C@H](C[N@H+](CCCOC)CCOC)c1ccccc1 ZINC000043970960 175131824 /nfs/dbraw/zinc/13/18/24/175131824.db2.gz UESLOVICTRTCAM-QGZVFWFLSA-N 2 2 294.439 2.322 10 0 CEAELP CC[NH2+][C@H](C[N@@H+](CCCOC)CCOC)c1ccccc1 ZINC000043970960 175131825 /nfs/dbraw/zinc/13/18/25/175131825.db2.gz UESLOVICTRTCAM-QGZVFWFLSA-N 2 2 294.439 2.322 10 0 CEAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986330 175284562 /nfs/dbraw/zinc/28/45/62/175284562.db2.gz NULQHDQTXCKDAA-OLZOCXBDSA-N 2 2 251.374 2.193 10 0 CEAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986330 175284563 /nfs/dbraw/zinc/28/45/63/175284563.db2.gz NULQHDQTXCKDAA-OLZOCXBDSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)C ZINC000045065388 175299354 /nfs/dbraw/zinc/29/93/54/175299354.db2.gz OJLAPABBRLVHKT-CHWSQXEVSA-N 2 2 252.406 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)C ZINC000045065388 175299356 /nfs/dbraw/zinc/29/93/56/175299356.db2.gz OJLAPABBRLVHKT-CHWSQXEVSA-N 2 2 252.406 2.176 10 0 CEAELP CC(C)c1ccc([C@H](O)C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000045134407 175312495 /nfs/dbraw/zinc/31/24/95/175312495.db2.gz OYORAUINSDCYOK-MRXNPFEDSA-N 2 2 287.407 2.409 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](Cn2c(N)[nH+]c3c2cccc3F)C1 ZINC000045136023 175313589 /nfs/dbraw/zinc/31/35/89/175313589.db2.gz JLCQRDZPBNLERP-NSHDSACASA-N 2 2 276.359 2.488 10 0 CEAELP CC(C)[N@H+]1CC[C@H](Cn2c(N)[nH+]c3c2cccc3F)C1 ZINC000045136023 175313591 /nfs/dbraw/zinc/31/35/91/175313591.db2.gz JLCQRDZPBNLERP-NSHDSACASA-N 2 2 276.359 2.488 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379694 175369448 /nfs/dbraw/zinc/36/94/48/175369448.db2.gz RRQFHIUUKDKFQG-GUTXKFCHSA-N 2 2 270.417 2.181 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379694 175369449 /nfs/dbraw/zinc/36/94/49/175369449.db2.gz RRQFHIUUKDKFQG-GUTXKFCHSA-N 2 2 270.417 2.181 10 0 CEAELP c1cc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)co1 ZINC000070414088 175915075 /nfs/dbraw/zinc/91/50/75/175915075.db2.gz LWKJTHXBAPORFF-ZDUSSCGKSA-N 2 2 288.351 2.219 10 0 CEAELP c1cc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)co1 ZINC000070414088 175915076 /nfs/dbraw/zinc/91/50/76/175915076.db2.gz LWKJTHXBAPORFF-ZDUSSCGKSA-N 2 2 288.351 2.219 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)C[C@H](C[NH3+])c1ccccc1 ZINC000070941172 176015277 /nfs/dbraw/zinc/01/52/77/176015277.db2.gz CAHXZGNXKRWYKZ-HNNXBMFYSA-N 2 2 278.396 2.004 10 0 CEAELP CCC[N@H+](CC(=O)OCC)C[C@H](C[NH3+])c1ccccc1 ZINC000070941172 176015279 /nfs/dbraw/zinc/01/52/79/176015279.db2.gz CAHXZGNXKRWYKZ-HNNXBMFYSA-N 2 2 278.396 2.004 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090881 176031314 /nfs/dbraw/zinc/03/13/14/176031314.db2.gz ALVYUAKJBFKMSL-IRXDYDNUSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)C1 ZINC000071123869 176034936 /nfs/dbraw/zinc/03/49/36/176034936.db2.gz AOMDKCXZKWZDIT-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000071123869 176034937 /nfs/dbraw/zinc/03/49/37/176034937.db2.gz AOMDKCXZKWZDIT-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)C1CCOCC1 ZINC000071161683 176046188 /nfs/dbraw/zinc/04/61/88/176046188.db2.gz FGZNLRHKZCDTSK-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000071161683 176046190 /nfs/dbraw/zinc/04/61/90/176046190.db2.gz FGZNLRHKZCDTSK-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162684 176046450 /nfs/dbraw/zinc/04/64/50/176046450.db2.gz UKSLZGMGHSDCCG-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162684 176046451 /nfs/dbraw/zinc/04/64/51/176046451.db2.gz UKSLZGMGHSDCCG-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CN(C[C@@H]1CC[N@H+](C)C1)c1[nH+]c(CO)cc2ccccc21 ZINC000071190294 176066386 /nfs/dbraw/zinc/06/63/86/176066386.db2.gz QUQTYMHLJDXPJR-CYBMUJFWSA-N 2 2 285.391 2.115 10 0 CEAELP CN(C[C@@H]1CC[N@@H+](C)C1)c1[nH+]c(CO)cc2ccccc21 ZINC000071190294 176066387 /nfs/dbraw/zinc/06/63/87/176066387.db2.gz QUQTYMHLJDXPJR-CYBMUJFWSA-N 2 2 285.391 2.115 10 0 CEAELP C[NH2+]CC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191451 176069558 /nfs/dbraw/zinc/06/95/58/176069558.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191451 176069561 /nfs/dbraw/zinc/06/95/61/176069561.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191451 176069562 /nfs/dbraw/zinc/06/95/62/176069562.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191451 176069564 /nfs/dbraw/zinc/06/95/64/176069564.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 3 2 267.461 2.040 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191298 176070057 /nfs/dbraw/zinc/07/00/57/176070057.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191298 176070058 /nfs/dbraw/zinc/07/00/58/176070058.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191298 176070059 /nfs/dbraw/zinc/07/00/59/176070059.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191298 176070060 /nfs/dbraw/zinc/07/00/60/176070060.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000071293935 176111448 /nfs/dbraw/zinc/11/14/48/176111448.db2.gz AAVRCWMOEMSJKX-CQSZACIVSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)CCCCC[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000071293935 176111450 /nfs/dbraw/zinc/11/14/50/176111450.db2.gz AAVRCWMOEMSJKX-CQSZACIVSA-N 2 2 270.417 2.184 10 0 CEAELP CC[N@H+]([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071312029 176118645 /nfs/dbraw/zinc/11/86/45/176118645.db2.gz JKXQHCDASXUSKP-GXTWGEPZSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@@H+]([C@@H](C)c1ccc(OC)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000071312029 176118647 /nfs/dbraw/zinc/11/86/47/176118647.db2.gz JKXQHCDASXUSKP-GXTWGEPZSA-N 2 2 278.396 2.449 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356193 176136884 /nfs/dbraw/zinc/13/68/84/176136884.db2.gz QPSFUJFOUUCYLX-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356193 176136885 /nfs/dbraw/zinc/13/68/85/176136885.db2.gz QPSFUJFOUUCYLX-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+]CCc1[nH]c[nH+]c1-c1ccc(Br)s1 ZINC000071611485 176231806 /nfs/dbraw/zinc/23/18/06/176231806.db2.gz OZNSVQOAVFQJSF-UHFFFAOYSA-N 2 2 272.171 2.402 10 0 CEAELP CC(C)Cc1ccc([C@H](CO)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071627324 176235706 /nfs/dbraw/zinc/23/57/06/176235706.db2.gz DMNRTMFHISTVOS-KRWDZBQOSA-N 2 2 276.424 2.214 10 0 CEAELP CC(C)Cc1ccc([C@H](CO)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071627324 176235708 /nfs/dbraw/zinc/23/57/08/176235708.db2.gz DMNRTMFHISTVOS-KRWDZBQOSA-N 2 2 276.424 2.214 10 0 CEAELP CCc1[nH+]ccn1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000077162645 177229686 /nfs/dbraw/zinc/22/96/86/177229686.db2.gz KYEWTIUFJQHTFW-UHFFFAOYSA-N 2 2 298.434 2.263 10 0 CEAELP C[C@@H](CC[NH3+])CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000079189808 177441905 /nfs/dbraw/zinc/44/19/05/177441905.db2.gz BRMHWPXXXODUGX-ZIAGYGMSSA-N 2 2 294.443 2.179 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579874 276217439 /nfs/dbraw/zinc/21/74/39/276217439.db2.gz QADFZTBHPPAZQC-CJNGLKHVSA-N 2 2 260.381 2.453 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579874 276217441 /nfs/dbraw/zinc/21/74/41/276217441.db2.gz QADFZTBHPPAZQC-CJNGLKHVSA-N 2 2 260.381 2.453 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000133775665 279369339 /nfs/dbraw/zinc/36/93/39/279369339.db2.gz FRHULJJSKDUWIR-YVECIDJPSA-N 2 2 294.361 2.464 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247657330 280337155 /nfs/dbraw/zinc/33/71/55/280337155.db2.gz XJBKCBLNYMDIMY-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247657330 280337156 /nfs/dbraw/zinc/33/71/56/280337156.db2.gz XJBKCBLNYMDIMY-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP CCC[NH2+]CCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419883 519913306 /nfs/dbraw/zinc/91/33/06/519913306.db2.gz TYCHBLIJYGALGJ-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[NH2+]CCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419883 519913307 /nfs/dbraw/zinc/91/33/07/519913307.db2.gz TYCHBLIJYGALGJ-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOCC2(C)C)oc1C ZINC000052546086 519991318 /nfs/dbraw/zinc/99/13/18/519991318.db2.gz VBSCIYWNXJQJIC-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOCC2(C)C)oc1C ZINC000052546086 519991328 /nfs/dbraw/zinc/99/13/28/519991328.db2.gz VBSCIYWNXJQJIC-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840069 500938942 /nfs/dbraw/zinc/93/89/42/500938942.db2.gz PEVHTGUSNFQCLK-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840069 500938945 /nfs/dbraw/zinc/93/89/45/500938945.db2.gz PEVHTGUSNFQCLK-QWRGUYRKSA-N 2 2 277.393 2.430 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631390 521358446 /nfs/dbraw/zinc/35/84/46/521358446.db2.gz XUBLNEDIYCQAIF-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631390 521358453 /nfs/dbraw/zinc/35/84/53/521358453.db2.gz XUBLNEDIYCQAIF-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)C1CCOCC1 ZINC000052203575 521929416 /nfs/dbraw/zinc/92/94/16/521929416.db2.gz LMZBELANHFNQQS-MRXNPFEDSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000052203575 521929420 /nfs/dbraw/zinc/92/94/20/521929420.db2.gz LMZBELANHFNQQS-MRXNPFEDSA-N 2 2 262.397 2.360 10 0 CEAELP COCC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052810806 521950989 /nfs/dbraw/zinc/95/09/89/521950989.db2.gz SURWJHCMDQEJJC-ZDUSSCGKSA-N 2 2 256.777 2.136 10 0 CEAELP COCC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052810806 521950996 /nfs/dbraw/zinc/95/09/96/521950996.db2.gz SURWJHCMDQEJJC-ZDUSSCGKSA-N 2 2 256.777 2.136 10 0 CEAELP C[NH2+]Cc1oc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540408 522159419 /nfs/dbraw/zinc/15/94/19/522159419.db2.gz GJEUWHSGOWJSLP-UONOGXRCSA-N 2 2 264.369 2.061 10 0 CEAELP C[NH2+]Cc1oc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540408 522159432 /nfs/dbraw/zinc/15/94/32/522159432.db2.gz GJEUWHSGOWJSLP-UONOGXRCSA-N 2 2 264.369 2.061 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516470 522407113 /nfs/dbraw/zinc/40/71/13/522407113.db2.gz LTRGYRXCISQILO-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516470 522407124 /nfs/dbraw/zinc/40/71/24/522407124.db2.gz LTRGYRXCISQILO-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674930 519725076 /nfs/dbraw/zinc/72/50/76/519725076.db2.gz UVGPYNCQOWGEAH-CQSZACIVSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061674930 519725077 /nfs/dbraw/zinc/72/50/77/519725077.db2.gz UVGPYNCQOWGEAH-CQSZACIVSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)C[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000052418582 519745741 /nfs/dbraw/zinc/74/57/41/519745741.db2.gz LXQVVVARQLEAIM-INIZCTEOSA-N 2 2 290.455 2.085 10 0 CEAELP CC(C)C[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000062738561 519746628 /nfs/dbraw/zinc/74/66/28/519746628.db2.gz GPHWDJDLIBUDRY-UHFFFAOYSA-N 2 2 269.352 2.266 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198876 519793932 /nfs/dbraw/zinc/79/39/32/519793932.db2.gz KADVCXIIFYEIHF-IUODEOHRSA-N 2 2 292.427 2.414 10 0 CEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069288347 519987491 /nfs/dbraw/zinc/98/74/91/519987491.db2.gz NZKSXJNBJLGWDM-DZGCQCFKSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H](C)[C@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069288347 519987494 /nfs/dbraw/zinc/98/74/94/519987494.db2.gz NZKSXJNBJLGWDM-DZGCQCFKSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000061270194 520070574 /nfs/dbraw/zinc/07/05/74/520070574.db2.gz CIFKIMIRYSMRHM-LBPRGKRZSA-N 2 2 272.352 2.199 10 0 CEAELP CC[NH2+][C@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)C(=O)OC ZINC000068648649 520242082 /nfs/dbraw/zinc/24/20/82/520242082.db2.gz NZPANKHBPZUHRA-SWLSCSKDSA-N 2 2 281.400 2.499 10 0 CEAELP CCO[C@H](C[NH3+])CC[N@H+](C)c1ccc(C)cc1C ZINC000062741220 520515681 /nfs/dbraw/zinc/51/56/81/520515681.db2.gz BOAAFFGTYQDGJV-AWEZNQCLSA-N 2 2 250.386 2.494 10 0 CEAELP CCO[C@H](C[NH3+])CC[N@@H+](C)c1ccc(C)cc1C ZINC000062741220 520515687 /nfs/dbraw/zinc/51/56/87/520515687.db2.gz BOAAFFGTYQDGJV-AWEZNQCLSA-N 2 2 250.386 2.494 10 0 CEAELP CCCC[C@@](CC)(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000069381007 521121814 /nfs/dbraw/zinc/12/18/14/521121814.db2.gz TYZFVKWUADBEDM-AWEZNQCLSA-N 2 2 252.406 2.150 10 0 CEAELP CCCC[C@](CC)(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000069380165 521253083 /nfs/dbraw/zinc/25/30/83/521253083.db2.gz YOSXJWONILGZPW-CQSZACIVSA-N 2 2 252.406 2.150 10 0 CEAELP CCCC[C@](CC)(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000069380165 521253086 /nfs/dbraw/zinc/25/30/86/521253086.db2.gz YOSXJWONILGZPW-CQSZACIVSA-N 2 2 252.406 2.150 10 0 CEAELP CC[N@H+](Cc1ccn(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000061641298 521409554 /nfs/dbraw/zinc/40/95/54/521409554.db2.gz DUTRLHKQBFDPSC-UHFFFAOYSA-N 2 2 284.407 2.446 10 0 CEAELP CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000061641298 521409560 /nfs/dbraw/zinc/40/95/60/521409560.db2.gz DUTRLHKQBFDPSC-UHFFFAOYSA-N 2 2 284.407 2.446 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C)cs1 ZINC000054629149 521955677 /nfs/dbraw/zinc/95/56/77/521955677.db2.gz NHBDHKXAZGBCGV-YOGCLGLASA-N 2 2 251.399 2.166 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)cs1 ZINC000054629149 521955669 /nfs/dbraw/zinc/95/56/69/521955669.db2.gz NHBDHKXAZGBCGV-YOGCLGLASA-N 2 2 251.399 2.166 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)n1 ZINC000070193556 522018800 /nfs/dbraw/zinc/01/88/00/522018800.db2.gz PPNGBDXVORBVKJ-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP C[NH2+]CC[C@H]1CCCC[N@H+]1Cc1cccc(OC)n1 ZINC000070193556 522018809 /nfs/dbraw/zinc/01/88/09/522018809.db2.gz PPNGBDXVORBVKJ-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@H+](C)C[C@@H](C)O ZINC000051817417 522339324 /nfs/dbraw/zinc/33/93/24/522339324.db2.gz IKKKPPCNCXGDTB-DDTOSNHZSA-N 2 2 270.804 2.431 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](C)O ZINC000051817417 522339334 /nfs/dbraw/zinc/33/93/34/522339334.db2.gz IKKKPPCNCXGDTB-DDTOSNHZSA-N 2 2 270.804 2.431 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818331 522342557 /nfs/dbraw/zinc/34/25/57/522342557.db2.gz NRETZMOIWMRXKD-UONOGXRCSA-N 2 2 264.417 2.321 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)n1C ZINC000070144257 522346108 /nfs/dbraw/zinc/34/61/08/522346108.db2.gz VMJAQAORPOALMB-XQQFMLRXSA-N 2 2 262.401 2.012 10 0 CEAELP C[NH2+][C@](C)(C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21)C(N)=O ZINC000068648741 522524117 /nfs/dbraw/zinc/52/41/17/522524117.db2.gz HZVXDVVRVRMYJH-MLGOLLRUSA-N 2 2 288.395 2.068 10 0 CEAELP C[N@H+](Cc1ccc(F)cc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590117 523254142 /nfs/dbraw/zinc/25/41/42/523254142.db2.gz BZMUOXSKVNZWKX-AWEZNQCLSA-N 2 2 268.401 2.482 10 0 CEAELP C[N@@H+](Cc1ccc(F)cc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590117 523254146 /nfs/dbraw/zinc/25/41/46/523254146.db2.gz BZMUOXSKVNZWKX-AWEZNQCLSA-N 2 2 268.401 2.482 10 0 CEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579061 523257587 /nfs/dbraw/zinc/25/75/87/523257587.db2.gz BTGPLFPEQSRRLG-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579061 523257594 /nfs/dbraw/zinc/25/75/94/523257594.db2.gz BTGPLFPEQSRRLG-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1CC ZINC000374210180 523312306 /nfs/dbraw/zinc/31/23/06/523312306.db2.gz TYWKVTUPERMVMB-LSDHHAIUSA-N 2 2 276.428 2.352 10 0 CEAELP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1CC ZINC000374210180 523312311 /nfs/dbraw/zinc/31/23/11/523312311.db2.gz TYWKVTUPERMVMB-LSDHHAIUSA-N 2 2 276.428 2.352 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571054 523342948 /nfs/dbraw/zinc/34/29/48/523342948.db2.gz ZUZDWXQIIPBKFR-RYUDHWBXSA-N 2 2 252.358 2.046 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571054 523342957 /nfs/dbraw/zinc/34/29/57/523342957.db2.gz ZUZDWXQIIPBKFR-RYUDHWBXSA-N 2 2 252.358 2.046 10 0 CEAELP C[N@H+](Cc1ccoc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183414 523476694 /nfs/dbraw/zinc/47/66/94/523476694.db2.gz VEJSVILBJFTNQF-UHFFFAOYSA-N 2 2 278.396 2.260 10 0 CEAELP C[N@@H+](Cc1ccoc1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183414 523476704 /nfs/dbraw/zinc/47/67/04/523476704.db2.gz VEJSVILBJFTNQF-UHFFFAOYSA-N 2 2 278.396 2.260 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1cccc2cccnc21)C1CCOCC1 ZINC000069502524 523623724 /nfs/dbraw/zinc/62/37/24/523623724.db2.gz ZXUAGRCFEAZABD-INIZCTEOSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1cccc2cccnc21)C1CCOCC1 ZINC000069502524 523623730 /nfs/dbraw/zinc/62/37/30/523623730.db2.gz ZXUAGRCFEAZABD-INIZCTEOSA-N 2 2 285.391 2.345 10 0 CEAELP COCCOCC[N@@H+]1C[C@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704809 524002543 /nfs/dbraw/zinc/00/25/43/524002543.db2.gz GJGBAWNMLHNTOW-MRXNPFEDSA-N 2 2 298.471 2.282 10 0 CEAELP COCCOCC[N@H+]1C[C@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704809 524002547 /nfs/dbraw/zinc/00/25/47/524002547.db2.gz GJGBAWNMLHNTOW-MRXNPFEDSA-N 2 2 298.471 2.282 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757301 524106147 /nfs/dbraw/zinc/10/61/47/524106147.db2.gz CBCHKVVYMLHBKM-YSVLISHTSA-N 2 2 292.423 2.320 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757301 524106153 /nfs/dbraw/zinc/10/61/53/524106153.db2.gz CBCHKVVYMLHBKM-YSVLISHTSA-N 2 2 292.423 2.320 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000050579047 525007224 /nfs/dbraw/zinc/00/72/24/525007224.db2.gz XGFCWJVUGAQGGG-KRWDZBQOSA-N 3 2 293.430 2.408 10 0 CEAELP C[C@@H]([NH3+])c1ccc(Sc2nc(N)cc(N)[nH+]2)c(Cl)c1 ZINC000061700314 525029736 /nfs/dbraw/zinc/02/97/36/525029736.db2.gz FMRPUCBDKAHUBY-ZCFIWIBFSA-N 2 2 295.799 2.465 10 0 CEAELP C[C@@H]1COCC[N@@H+]1Cc1occc1C[NH2+]C(C)(C)C ZINC000052475797 525130140 /nfs/dbraw/zinc/13/01/40/525130140.db2.gz BCYJGAADOWRQHR-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1COCC[N@H+]1Cc1occc1C[NH2+]C(C)(C)C ZINC000052475797 525130148 /nfs/dbraw/zinc/13/01/48/525130148.db2.gz BCYJGAADOWRQHR-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP c1cn(CCCN2CC[NH2+][C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000068693958 526530811 /nfs/dbraw/zinc/53/08/11/526530811.db2.gz AZYPXQLAWZYLMP-MRXNPFEDSA-N 2 2 276.428 2.127 10 0 CEAELP Cc1[nH]c(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000054822436 526890012 /nfs/dbraw/zinc/89/00/12/526890012.db2.gz AAMVFKHRCWEBCH-DOMZBBRYSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH]cc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[nH+]1 ZINC000054822436 526890014 /nfs/dbraw/zinc/89/00/14/526890014.db2.gz AAMVFKHRCWEBCH-DOMZBBRYSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH+]c[nH]c1CNc1ccc(-n2cc[nH+]c2C)nc1 ZINC000054796321 527214830 /nfs/dbraw/zinc/21/48/30/527214830.db2.gz KJRHEAJDWVTLSQ-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP [NH3+]C[C@]1([N@@H+]2CCc3sccc3C2)CCCSC1 ZINC000061589860 527243928 /nfs/dbraw/zinc/24/39/28/527243928.db2.gz FBHNBQQWOBTQAQ-CYBMUJFWSA-N 2 2 268.451 2.331 10 0 CEAELP [NH3+]C[C@]1([N@H+]2CCc3sccc3C2)CCCSC1 ZINC000061589860 527243933 /nfs/dbraw/zinc/24/39/33/527243933.db2.gz FBHNBQQWOBTQAQ-CYBMUJFWSA-N 2 2 268.451 2.331 10 0 CEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)Cc1cccc(Br)c1 ZINC000050040448 527337723 /nfs/dbraw/zinc/33/77/23/527337723.db2.gz OXJWMDSIFLVBSO-LLVKDONJSA-N 2 2 280.169 2.285 10 0 CEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@H](O)C1 ZINC000388701610 642620807 /nfs/dbraw/zinc/62/08/07/642620807.db2.gz HGQSIZXZHPSRRX-WCVJEAGWSA-N 2 2 266.429 2.096 10 0 CEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@H](O)C1 ZINC000388701610 642620808 /nfs/dbraw/zinc/62/08/08/642620808.db2.gz HGQSIZXZHPSRRX-WCVJEAGWSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@H](O)C1 ZINC000388701610 642620813 /nfs/dbraw/zinc/62/08/13/642620813.db2.gz HGQSIZXZHPSRRX-WCVJEAGWSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@H](O)C1 ZINC000388701610 642620816 /nfs/dbraw/zinc/62/08/16/642620816.db2.gz HGQSIZXZHPSRRX-WCVJEAGWSA-N 2 2 266.429 2.096 10 0 CEAELP CCC1CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000133903484 652743451 /nfs/dbraw/zinc/74/34/51/652743451.db2.gz OOKFZPVYIFYHBV-XSCHDIRWSA-N 2 2 254.418 2.312 10 0 CEAELP [NH3+]CCc1c[nH+]c2c(Br)cc(Cl)cn12 ZINC000082693719 178188056 /nfs/dbraw/zinc/18/80/56/178188056.db2.gz GZWLULMFTZNFLY-UHFFFAOYSA-N 2 2 274.549 2.251 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265974 539213428 /nfs/dbraw/zinc/21/34/28/539213428.db2.gz FYECBMUMWSQBNQ-LBPRGKRZSA-N 3 2 253.434 2.107 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265974 539213429 /nfs/dbraw/zinc/21/34/29/539213429.db2.gz FYECBMUMWSQBNQ-LBPRGKRZSA-N 3 2 253.434 2.107 10 0 CEAELP [NH3+]C[C@@H](c1ccc(Br)s1)n1cc[nH+]c1 ZINC000043263229 362141487 /nfs/dbraw/zinc/14/14/87/362141487.db2.gz DPZQZXWFRUBFEV-ZETCQYMHSA-N 2 2 272.171 2.255 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+](C)C ZINC000043020100 362134115 /nfs/dbraw/zinc/13/41/15/362134115.db2.gz CHCRBTGMIAWACB-KWQFWETISA-N 2 2 257.175 2.399 10 0 CEAELP Clc1cccc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000038956740 343434942 /nfs/dbraw/zinc/43/49/42/343434942.db2.gz XYOIJBNAAKEXEN-OAHLLOKOSA-N 2 2 279.815 2.436 10 0 CEAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000153033097 136394438 /nfs/dbraw/zinc/39/44/38/136394438.db2.gz CNSLPVOYKNASHY-CYBMUJFWSA-N 2 2 289.427 2.219 10 0 CEAELP C[C@@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)[nH+]cn2)C1 ZINC000153033097 136394439 /nfs/dbraw/zinc/39/44/39/136394439.db2.gz CNSLPVOYKNASHY-CYBMUJFWSA-N 2 2 289.427 2.219 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439646 344373976 /nfs/dbraw/zinc/37/39/76/344373976.db2.gz RUYJPVZLXKYQRA-MRXNPFEDSA-N 2 2 276.424 2.422 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439646 344373978 /nfs/dbraw/zinc/37/39/78/344373978.db2.gz RUYJPVZLXKYQRA-MRXNPFEDSA-N 2 2 276.424 2.422 10 0 CEAELP CCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000134437366 344374285 /nfs/dbraw/zinc/37/42/85/344374285.db2.gz BNCTYOTXLWQKQS-KRWDZBQOSA-N 2 2 292.423 2.286 10 0 CEAELP CCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000134437366 344374287 /nfs/dbraw/zinc/37/42/87/344374287.db2.gz BNCTYOTXLWQKQS-KRWDZBQOSA-N 2 2 292.423 2.286 10 0 CEAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000178519021 232374369 /nfs/dbraw/zinc/37/43/69/232374369.db2.gz WJKPFPGXRBWNEK-BXUZGUMPSA-N 2 2 297.468 2.257 10 0 CEAELP Cc1cc(C)cc([N@H+](C)CCC[C@@](C)(O)C[NH3+])c1 ZINC000085303717 179011179 /nfs/dbraw/zinc/01/11/79/179011179.db2.gz WQRFIXWGTTXACC-OAHLLOKOSA-N 2 2 250.386 2.230 10 0 CEAELP Cc1cc(C)cc([N@@H+](C)CCC[C@@](C)(O)C[NH3+])c1 ZINC000085303717 179011180 /nfs/dbraw/zinc/01/11/80/179011180.db2.gz WQRFIXWGTTXACC-OAHLLOKOSA-N 2 2 250.386 2.230 10 0 CEAELP C(C1CCOCC1)[N@@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000085435379 179062346 /nfs/dbraw/zinc/06/23/46/179062346.db2.gz MGPQGQYCUPGZON-UHFFFAOYSA-N 2 2 252.402 2.021 10 0 CEAELP C(C1CCOCC1)[N@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000085435379 179062348 /nfs/dbraw/zinc/06/23/48/179062348.db2.gz MGPQGQYCUPGZON-UHFFFAOYSA-N 2 2 252.402 2.021 10 0 CEAELP CCC[C@H]1C[N@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085466260 179071820 /nfs/dbraw/zinc/07/18/20/179071820.db2.gz QUZDBJKFNKVZMN-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CCC[C@H]1C[N@@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085466260 179071822 /nfs/dbraw/zinc/07/18/22/179071822.db2.gz QUZDBJKFNKVZMN-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CCC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085511463 179085788 /nfs/dbraw/zinc/08/57/88/179085788.db2.gz GXIGKLQKPVPWTQ-SJORKVTESA-N 2 2 290.455 2.434 10 0 CEAELP CCOCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515692 179088047 /nfs/dbraw/zinc/08/80/47/179088047.db2.gz OCCDMLSNFLCQLO-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515692 179088050 /nfs/dbraw/zinc/08/80/50/179088050.db2.gz OCCDMLSNFLCQLO-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@H]1CCOC1 ZINC000085503537 179084081 /nfs/dbraw/zinc/08/40/81/179084081.db2.gz XTQBLTHHZSKMSN-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+]C2(CCCCC2)C[N@H+]1C[C@H]1CCOC1 ZINC000085503537 179084083 /nfs/dbraw/zinc/08/40/83/179084083.db2.gz XTQBLTHHZSKMSN-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1CCOCCOC ZINC000085503717 179084437 /nfs/dbraw/zinc/08/44/37/179084437.db2.gz MPVDWLPWNDIXNP-INIZCTEOSA-N 2 2 298.471 2.426 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCCC2)C[N@H+]1CCOCCOC ZINC000085503717 179084440 /nfs/dbraw/zinc/08/44/40/179084440.db2.gz MPVDWLPWNDIXNP-INIZCTEOSA-N 2 2 298.471 2.426 10 0 CEAELP COCCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529229 179090372 /nfs/dbraw/zinc/09/03/72/179090372.db2.gz BSQODFJSPJJZEJ-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529229 179090373 /nfs/dbraw/zinc/09/03/73/179090373.db2.gz BSQODFJSPJJZEJ-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608811 179101560 /nfs/dbraw/zinc/10/15/60/179101560.db2.gz FWWOLYSOCNJQSD-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](Cc3cccnc3)CCC[NH2+]2)cc1 ZINC000085608811 179101561 /nfs/dbraw/zinc/10/15/61/179101561.db2.gz FWWOLYSOCNJQSD-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609533 179101676 /nfs/dbraw/zinc/10/16/76/179101676.db2.gz KSMKAUGUXJUZKW-UKRRQHHQSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609533 179101678 /nfs/dbraw/zinc/10/16/78/179101678.db2.gz KSMKAUGUXJUZKW-UKRRQHHQSA-N 2 2 264.417 2.113 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615352 179103724 /nfs/dbraw/zinc/10/37/24/179103724.db2.gz YNNOCPDXUVLTQD-HOCLYGCPSA-N 2 2 266.429 2.267 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615352 179103726 /nfs/dbraw/zinc/10/37/26/179103726.db2.gz YNNOCPDXUVLTQD-HOCLYGCPSA-N 2 2 266.429 2.267 10 0 CEAELP CC(C)C[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)CC[NH2+]1 ZINC000085621717 179106140 /nfs/dbraw/zinc/10/61/40/179106140.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 3 2 278.444 2.372 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)CC[NH2+]1 ZINC000085621717 179106141 /nfs/dbraw/zinc/10/61/41/179106141.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 3 2 278.444 2.372 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[NH+](CC(C)C)CC(C)C ZINC000085921895 179200681 /nfs/dbraw/zinc/20/06/81/179200681.db2.gz DYGOSDXJRXCPKM-HNNXBMFYSA-N 2 2 258.450 2.351 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1[nH+]ccn1C ZINC000086264881 179261373 /nfs/dbraw/zinc/26/13/73/179261373.db2.gz HUULTARFJNKPAN-UONOGXRCSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289951 179264573 /nfs/dbraw/zinc/26/45/73/179264573.db2.gz YHXVIHYQLGILLT-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289951 179264574 /nfs/dbraw/zinc/26/45/74/179264574.db2.gz YHXVIHYQLGILLT-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696403 179320545 /nfs/dbraw/zinc/32/05/45/179320545.db2.gz RCERJYPCVRQNEF-LLVKDONJSA-N 2 2 275.165 2.020 10 0 CEAELP C[C@H]1CCC[C@]1(C[NH3+])[N@@H+]1CCOc2ccccc2C1 ZINC000086677260 179319194 /nfs/dbraw/zinc/31/91/94/179319194.db2.gz QFFQRUVLQIRTLU-XJKSGUPXSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@H]1CCC[C@]1(C[NH3+])[N@H+]1CCOc2ccccc2C1 ZINC000086677260 179319196 /nfs/dbraw/zinc/31/91/96/179319196.db2.gz QFFQRUVLQIRTLU-XJKSGUPXSA-N 2 2 260.381 2.399 10 0 CEAELP CC(C)[NH2+][C@@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833714 179350220 /nfs/dbraw/zinc/35/02/20/179350220.db2.gz LEJHLJKSANFMTI-ZDUSSCGKSA-N 2 2 253.415 2.452 10 0 CEAELP CC(C)[NH2+][C@@]1(c2nccs2)CCC[N@@H+](C)CC1 ZINC000086833714 179350223 /nfs/dbraw/zinc/35/02/23/179350223.db2.gz LEJHLJKSANFMTI-ZDUSSCGKSA-N 2 2 253.415 2.452 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840395 179351076 /nfs/dbraw/zinc/35/10/76/179351076.db2.gz GWECIKCHUIDIPE-KBPBESRZSA-N 2 2 291.443 2.138 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840395 179351079 /nfs/dbraw/zinc/35/10/79/179351079.db2.gz GWECIKCHUIDIPE-KBPBESRZSA-N 2 2 291.443 2.138 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836779 179351382 /nfs/dbraw/zinc/35/13/82/179351382.db2.gz NWKLRDAEQGNPQD-CQSZACIVSA-N 2 2 287.411 2.083 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836779 179351384 /nfs/dbraw/zinc/35/13/84/179351384.db2.gz NWKLRDAEQGNPQD-CQSZACIVSA-N 2 2 287.411 2.083 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC000086844451 179355583 /nfs/dbraw/zinc/35/55/83/179355583.db2.gz AMDATNWYYWACHJ-CQSZACIVSA-N 2 2 262.401 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC000086844451 179355585 /nfs/dbraw/zinc/35/55/85/179355585.db2.gz AMDATNWYYWACHJ-CQSZACIVSA-N 2 2 262.401 2.139 10 0 CEAELP COC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949810 179369087 /nfs/dbraw/zinc/36/90/87/179369087.db2.gz LTRKPSUSOZTWOH-RDJZCZTQSA-N 2 2 296.455 2.430 10 0 CEAELP COC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949810 179369089 /nfs/dbraw/zinc/36/90/89/179369089.db2.gz LTRKPSUSOZTWOH-RDJZCZTQSA-N 2 2 296.455 2.430 10 0 CEAELP C[C@H](CCC[C@H](C)[NH3+])C(=O)Nc1ccc[nH+]c1N(C)C ZINC000087693777 179471279 /nfs/dbraw/zinc/47/12/79/179471279.db2.gz PJVGUGQMICOFMS-NEPJUHHUSA-N 2 2 278.400 2.240 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc3cnccc3c2)CC1 ZINC000616619950 348536591 /nfs/dbraw/zinc/53/65/91/348536591.db2.gz SVMGQHJDOAEUMZ-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP c1c[nH+]c([C@H]2COCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616662037 348552806 /nfs/dbraw/zinc/55/28/06/348552806.db2.gz FAOWACNPVSHMCP-CQSZACIVSA-N 2 2 257.337 2.026 10 0 CEAELP c1c[nH+]c([C@H]2COCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000616662037 348552811 /nfs/dbraw/zinc/55/28/11/348552811.db2.gz FAOWACNPVSHMCP-CQSZACIVSA-N 2 2 257.337 2.026 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(CCO)c1 ZINC000616692400 348562638 /nfs/dbraw/zinc/56/26/38/348562638.db2.gz PWTVZBWLVMTTQW-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc(CCO)c1 ZINC000616692400 348562640 /nfs/dbraw/zinc/56/26/40/348562640.db2.gz PWTVZBWLVMTTQW-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP CC[N@H+](Cc1ncc(Cl)n1C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089115627 179709492 /nfs/dbraw/zinc/70/94/92/179709492.db2.gz YVKPKUIAFSCZKM-GHMZBOCLSA-N 2 2 270.808 2.023 10 0 CEAELP CC[N@@H+](Cc1ncc(Cl)n1C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089115627 179709493 /nfs/dbraw/zinc/70/94/93/179709493.db2.gz YVKPKUIAFSCZKM-GHMZBOCLSA-N 2 2 270.808 2.023 10 0 CEAELP COc1ccc(C[N@H+](CC2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000090547626 180001713 /nfs/dbraw/zinc/00/17/13/180001713.db2.gz VMQIIBXKPCCSHU-HNNXBMFYSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccc(C[N@@H+](CC2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000090547626 180001715 /nfs/dbraw/zinc/00/17/15/180001715.db2.gz VMQIIBXKPCCSHU-HNNXBMFYSA-N 2 2 260.381 2.269 10 0 CEAELP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(C)o1 ZINC000090566137 180005913 /nfs/dbraw/zinc/00/59/13/180005913.db2.gz XVXQRAHXYICIPR-HIFRSBDPSA-N 2 2 266.385 2.034 10 0 CEAELP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(C)o1 ZINC000090566137 180005915 /nfs/dbraw/zinc/00/59/15/180005915.db2.gz XVXQRAHXYICIPR-HIFRSBDPSA-N 2 2 266.385 2.034 10 0 CEAELP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000090566773 180006810 /nfs/dbraw/zinc/00/68/10/180006810.db2.gz PVGPODPMMZZWGO-CVEARBPZSA-N 2 2 260.381 2.017 10 0 CEAELP COc1c(C)c[nH+]c(CSCC2C[NH2+]C2)c1C ZINC000090712560 180028924 /nfs/dbraw/zinc/02/89/24/180028924.db2.gz PPZNXUNUOWPEPU-UHFFFAOYSA-N 2 2 252.383 2.160 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1)OC ZINC000090625184 180015579 /nfs/dbraw/zinc/01/55/79/180015579.db2.gz NARUFHUQLXKFLT-LBPRGKRZSA-N 2 2 284.425 2.049 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1)OC ZINC000090625184 180015580 /nfs/dbraw/zinc/01/55/80/180015580.db2.gz NARUFHUQLXKFLT-LBPRGKRZSA-N 2 2 284.425 2.049 10 0 CEAELP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1Cc2ccccc2O1 ZINC000090874003 180050084 /nfs/dbraw/zinc/05/00/84/180050084.db2.gz NLFLIVCGZLLJMM-KRWDZBQOSA-N 2 2 282.387 2.451 10 0 CEAELP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1Cc2ccccc2O1 ZINC000090874003 180050087 /nfs/dbraw/zinc/05/00/87/180050087.db2.gz NLFLIVCGZLLJMM-KRWDZBQOSA-N 2 2 282.387 2.451 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892417 180054280 /nfs/dbraw/zinc/05/42/80/180054280.db2.gz UOUJEXLGVZGXBW-FZMZJTMJSA-N 2 2 275.327 2.004 10 0 CEAELP CC[NH2+]CC[N@H+](CC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893486 180054692 /nfs/dbraw/zinc/05/46/92/180054692.db2.gz IYRHZRFRUHRDNY-CQSZACIVSA-N 2 2 266.360 2.061 10 0 CEAELP CC[NH2+]CC[N@@H+](CC)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893486 180054693 /nfs/dbraw/zinc/05/46/93/180054693.db2.gz IYRHZRFRUHRDNY-CQSZACIVSA-N 2 2 266.360 2.061 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893488 180055345 /nfs/dbraw/zinc/05/53/45/180055345.db2.gz GNQAJJMTMQLFJH-OAHLLOKOSA-N 2 2 280.387 2.449 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893488 180055349 /nfs/dbraw/zinc/05/53/49/180055349.db2.gz GNQAJJMTMQLFJH-OAHLLOKOSA-N 2 2 280.387 2.449 10 0 CEAELP CCC[C@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908658 180061706 /nfs/dbraw/zinc/06/17/06/180061706.db2.gz BMNUOZQLTFYZMI-ZNMIVQPWSA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]C1 ZINC000090908658 180061708 /nfs/dbraw/zinc/06/17/08/180061708.db2.gz BMNUOZQLTFYZMI-ZNMIVQPWSA-N 2 2 252.402 2.020 10 0 CEAELP C(C[NH2+]C1CCCCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908046 180061735 /nfs/dbraw/zinc/06/17/35/180061735.db2.gz KPAKDALWPGKTQQ-GASCZTMLSA-N 2 2 252.402 2.162 10 0 CEAELP C(C[NH2+]C1CCCCC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908046 180061738 /nfs/dbraw/zinc/06/17/38/180061738.db2.gz KPAKDALWPGKTQQ-GASCZTMLSA-N 2 2 252.402 2.162 10 0 CEAELP C[NH2+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907556 180062166 /nfs/dbraw/zinc/06/21/66/180062166.db2.gz NARGXNBRSPSXDS-DVOMOZLQSA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907556 180062169 /nfs/dbraw/zinc/06/21/69/180062169.db2.gz NARGXNBRSPSXDS-DVOMOZLQSA-N 2 2 278.371 2.340 10 0 CEAELP c1ccc2c(c1)C[C@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982275 180079660 /nfs/dbraw/zinc/07/96/60/180079660.db2.gz YFBJYKTWHBXNFO-RDJZCZTQSA-N 2 2 256.393 2.400 10 0 CEAELP c1ccc2c(c1)C[C@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000090982275 180079661 /nfs/dbraw/zinc/07/96/61/180079661.db2.gz YFBJYKTWHBXNFO-RDJZCZTQSA-N 2 2 256.393 2.400 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275416 180118639 /nfs/dbraw/zinc/11/86/39/180118639.db2.gz TWHRIIMNOIESBE-DOMZBBRYSA-N 2 2 262.401 2.209 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275416 180118641 /nfs/dbraw/zinc/11/86/41/180118641.db2.gz TWHRIIMNOIESBE-DOMZBBRYSA-N 2 2 262.401 2.209 10 0 CEAELP CC(C)N1C(=O)CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275598 180118941 /nfs/dbraw/zinc/11/89/41/180118941.db2.gz VSSMVMGRYIVVJY-SWLSCSKDSA-N 2 2 276.384 2.007 10 0 CEAELP O[C@@H](c1c[nH+]cn1C1CC1)[C@H]1[NH2+]Cc2ccccc21 ZINC000091277440 180119540 /nfs/dbraw/zinc/11/95/40/180119540.db2.gz OYVGVQQWKVKDTA-GJZGRUSLSA-N 2 2 255.321 2.096 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276607 180119839 /nfs/dbraw/zinc/11/98/39/180119839.db2.gz YVIQWCDQQIDCDX-AWEZNQCLSA-N 2 2 260.385 2.092 10 0 CEAELP CCCN(CC1CC1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276371 180120280 /nfs/dbraw/zinc/12/02/80/180120280.db2.gz WCBAQBSWZCOFQM-AWEZNQCLSA-N 2 2 262.401 2.340 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1OC)[N@H+](C)CC1CC(O)C1 ZINC000091451135 180159172 /nfs/dbraw/zinc/15/91/72/180159172.db2.gz ZHKRVUSVRHVRNO-IDQHFDBOSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1OC)[N@@H+](C)CC1CC(O)C1 ZINC000091451135 180159174 /nfs/dbraw/zinc/15/91/74/180159174.db2.gz ZHKRVUSVRHVRNO-IDQHFDBOSA-N 2 2 292.423 2.176 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)CN1CCn2cc[nH+]c2C1 ZINC000091404860 180147094 /nfs/dbraw/zinc/14/70/94/180147094.db2.gz ZFZMFANQWDCSLP-CYBMUJFWSA-N 2 2 264.417 2.113 10 0 CEAELP CC(C)([C@@H]([NH3+])C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567779 180194970 /nfs/dbraw/zinc/19/49/70/180194970.db2.gz DIUQDXMUVRATTO-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP CCCn1ncnc1C[C@H]([NH2+]CC)C(C)(C)[NH+]1CCCC1 ZINC000091535838 180182094 /nfs/dbraw/zinc/18/20/94/180182094.db2.gz YBQOAWGUDGMSKN-AWEZNQCLSA-N 2 2 293.459 2.083 10 0 CEAELP OC1CC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000091538427 180182998 /nfs/dbraw/zinc/18/29/98/180182998.db2.gz BSQSHVFQZNVRLA-CGZBRXJRSA-N 2 2 274.408 2.012 10 0 CEAELP OC1CC(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000091538427 180183000 /nfs/dbraw/zinc/18/30/00/180183000.db2.gz BSQSHVFQZNVRLA-CGZBRXJRSA-N 2 2 274.408 2.012 10 0 CEAELP CC[NH+](CC)C1([C@@H]([NH2+]C)[C@H]2CCOC2)CCCC1 ZINC000091639433 180211897 /nfs/dbraw/zinc/21/18/97/180211897.db2.gz UCDKNTKMDDRVSV-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH+](CC)C1([C@H]([NH3+])C2CCOCC2)CCCC1 ZINC000091639066 180212458 /nfs/dbraw/zinc/21/24/58/180212458.db2.gz ANZAAJBRTAFTHC-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716828 180232312 /nfs/dbraw/zinc/23/23/12/180232312.db2.gz SSRQPSAARSDPRT-HNNXBMFYSA-N 3 2 264.417 2.436 10 0 CEAELP C[N@@H+]1CCO[C@@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717070 180232916 /nfs/dbraw/zinc/23/29/16/180232916.db2.gz SPSDJVYGSVJFIM-CABCVRRESA-N 2 2 262.397 2.315 10 0 CEAELP C[N@H+]1CCO[C@@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717070 180232917 /nfs/dbraw/zinc/23/29/17/180232917.db2.gz SPSDJVYGSVJFIM-CABCVRRESA-N 2 2 262.397 2.315 10 0 CEAELP CC[NH2+][C@H](Cc1ccn(C(CC)CC)n1)C[NH+](C)C ZINC000091719745 180234468 /nfs/dbraw/zinc/23/44/68/180234468.db2.gz DQLXKHRNZHJMQD-CQSZACIVSA-N 2 2 266.433 2.326 10 0 CEAELP CC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721629 180238381 /nfs/dbraw/zinc/23/83/81/180238381.db2.gz KEUHRONNHDPIKV-HYVNUMGLSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1cccc(OC)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721629 180238382 /nfs/dbraw/zinc/23/83/82/180238382.db2.gz KEUHRONNHDPIKV-HYVNUMGLSA-N 2 2 290.407 2.209 10 0 CEAELP C[NH2+][C@@H](C)c1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091800982 180258945 /nfs/dbraw/zinc/25/89/45/180258945.db2.gz GHAILAHBWGAVLN-LBPRGKRZSA-N 2 2 254.337 2.465 10 0 CEAELP CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054142 180312988 /nfs/dbraw/zinc/31/29/88/180312988.db2.gz KPAVYRZLQPJUQG-ZFWWWQNUSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054142 180312989 /nfs/dbraw/zinc/31/29/89/180312989.db2.gz KPAVYRZLQPJUQG-ZFWWWQNUSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054145 180313052 /nfs/dbraw/zinc/31/30/52/180313052.db2.gz KPAVYRZLQPJUQG-DZGCQCFKSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054145 180313055 /nfs/dbraw/zinc/31/30/55/180313055.db2.gz KPAVYRZLQPJUQG-DZGCQCFKSA-N 2 2 278.396 2.067 10 0 CEAELP C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054407 180314368 /nfs/dbraw/zinc/31/43/68/180314368.db2.gz IUROUQMIUBUNEH-ZYHUDNBSSA-N 2 2 284.787 2.069 10 0 CEAELP C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054407 180314370 /nfs/dbraw/zinc/31/43/70/180314370.db2.gz IUROUQMIUBUNEH-ZYHUDNBSSA-N 2 2 284.787 2.069 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092243739 180351335 /nfs/dbraw/zinc/35/13/35/180351335.db2.gz MFQZWQJLGYTTCT-CYBMUJFWSA-N 2 2 273.405 2.269 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[NH2+]CC[NH+]1CCCC1)S2 ZINC000092244064 180352433 /nfs/dbraw/zinc/35/24/33/180352433.db2.gz WOYCOGUXRHAWBI-AWEZNQCLSA-N 2 2 262.422 2.389 10 0 CEAELP Cc1[nH+]cc(C[NH3+])n1C[C@@H]1Cc2ccccc2S1 ZINC000092271962 180356573 /nfs/dbraw/zinc/35/65/73/180356573.db2.gz PHDZAPDUMNTGSJ-ZDUSSCGKSA-N 2 2 259.378 2.367 10 0 CEAELP CCOC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922634 186090463 /nfs/dbraw/zinc/09/04/63/186090463.db2.gz OQIGOSYRNIXKIB-ZDUSSCGKSA-N 2 2 279.384 2.036 10 0 CEAELP CCOC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922634 186090464 /nfs/dbraw/zinc/09/04/64/186090464.db2.gz OQIGOSYRNIXKIB-ZDUSSCGKSA-N 2 2 279.384 2.036 10 0 CEAELP Cc1cc(NC(=O)Nc2cccc(C[NH3+])c2)cc[nH+]1 ZINC000092365428 180369292 /nfs/dbraw/zinc/36/92/92/180369292.db2.gz QIIBGISTXRMYBJ-UHFFFAOYSA-N 2 2 256.309 2.493 10 0 CEAELP COc1ccc(OC)c(-c2cn3c([nH+]2)[C@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827770 186194162 /nfs/dbraw/zinc/19/41/62/186194162.db2.gz BSZZPJMMIAFKIA-MNOVXSKESA-N 2 2 287.363 2.402 10 0 CEAELP CCOC(=O)C[N@H+](C1CC1)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685138 186269169 /nfs/dbraw/zinc/26/91/69/186269169.db2.gz YIRMCKMIXFTIAJ-GZBFAFLISA-N 2 2 282.428 2.168 10 0 CEAELP CCOC(=O)C[N@@H+](C1CC1)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685138 186269171 /nfs/dbraw/zinc/26/91/71/186269171.db2.gz YIRMCKMIXFTIAJ-GZBFAFLISA-N 2 2 282.428 2.168 10 0 CEAELP COc1cc([C@@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926659 186333867 /nfs/dbraw/zinc/33/38/67/186333867.db2.gz KUVSTVWZNWYYKT-DGCLKSJQSA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926659 186333868 /nfs/dbraw/zinc/33/38/68/186333868.db2.gz KUVSTVWZNWYYKT-DGCLKSJQSA-N 2 2 264.369 2.146 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111150090 186360431 /nfs/dbraw/zinc/36/04/31/186360431.db2.gz PWYWXNBTUMFXHK-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111150090 186360432 /nfs/dbraw/zinc/36/04/32/186360432.db2.gz PWYWXNBTUMFXHK-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159496 186362178 /nfs/dbraw/zinc/36/21/78/186362178.db2.gz SZMXRHQKQYGROK-INIZCTEOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159496 186362180 /nfs/dbraw/zinc/36/21/80/186362180.db2.gz SZMXRHQKQYGROK-INIZCTEOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111158584 186363070 /nfs/dbraw/zinc/36/30/70/186363070.db2.gz IMIQLYUGASFVSL-WMLDXEAASA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111158584 186363072 /nfs/dbraw/zinc/36/30/72/186363072.db2.gz IMIQLYUGASFVSL-WMLDXEAASA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116825 186355584 /nfs/dbraw/zinc/35/55/84/186355584.db2.gz XEEAXUPOXJJSQF-CJNGLKHVSA-N 2 2 280.412 2.442 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116825 186355586 /nfs/dbraw/zinc/35/55/86/186355586.db2.gz XEEAXUPOXJJSQF-CJNGLKHVSA-N 2 2 280.412 2.442 10 0 CEAELP CC(C)Oc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143740 186358937 /nfs/dbraw/zinc/35/89/37/186358937.db2.gz MMZSYETVSQGMLX-QGZVFWFLSA-N 2 2 294.439 2.391 10 0 CEAELP CC(C)Oc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143740 186358938 /nfs/dbraw/zinc/35/89/38/186358938.db2.gz MMZSYETVSQGMLX-QGZVFWFLSA-N 2 2 294.439 2.391 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111155049 186359757 /nfs/dbraw/zinc/35/97/57/186359757.db2.gz KIWCOTCAKMDJQB-BBRMVZONSA-N 2 2 278.396 2.053 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111155049 186359759 /nfs/dbraw/zinc/35/97/59/186359759.db2.gz KIWCOTCAKMDJQB-BBRMVZONSA-N 2 2 278.396 2.053 10 0 CEAELP CCC[NH2+]C[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174815 186365300 /nfs/dbraw/zinc/36/53/00/186365300.db2.gz LAHBNOHEEFDMMO-LSDHHAIUSA-N 2 2 256.434 2.369 10 0 CEAELP CCC[NH2+]C[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174815 186365301 /nfs/dbraw/zinc/36/53/01/186365301.db2.gz LAHBNOHEEFDMMO-LSDHHAIUSA-N 2 2 256.434 2.369 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325517 186399112 /nfs/dbraw/zinc/39/91/12/186399112.db2.gz QJHWIEOROVDREW-QGZVFWFLSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325517 186399113 /nfs/dbraw/zinc/39/91/13/186399113.db2.gz QJHWIEOROVDREW-QGZVFWFLSA-N 2 2 291.439 2.308 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111239112 186374410 /nfs/dbraw/zinc/37/44/10/186374410.db2.gz NQFHOZZPTZAPGT-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111239112 186374412 /nfs/dbraw/zinc/37/44/12/186374412.db2.gz NQFHOZZPTZAPGT-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111239103 186374736 /nfs/dbraw/zinc/37/47/36/186374736.db2.gz RGYBTXPTFVHPDC-HNNXBMFYSA-N 2 2 278.396 2.053 10 0 CEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111239103 186374738 /nfs/dbraw/zinc/37/47/38/186374738.db2.gz RGYBTXPTFVHPDC-HNNXBMFYSA-N 2 2 278.396 2.053 10 0 CEAELP C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1[nH+]ccn1C ZINC000070443587 363081605 /nfs/dbraw/zinc/08/16/05/363081605.db2.gz XAKWXXGSUXGNHE-UKRRQHHQSA-N 2 2 272.396 2.374 10 0 CEAELP Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455807 363084435 /nfs/dbraw/zinc/08/44/35/363084435.db2.gz HDTUUFOGXQBNBC-ZDUSSCGKSA-N 2 2 272.327 2.129 10 0 CEAELP Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccnc2)[nH+]1 ZINC000070456027 363085411 /nfs/dbraw/zinc/08/54/11/363085411.db2.gz HNYQIPGRNAHWTN-UHFFFAOYSA-N 2 2 283.379 2.259 10 0 CEAELP [NH3+]C[C@@H]1CN(c2cccc[nH+]2)CC[C@H]1C(F)(F)F ZINC000630529839 351773687 /nfs/dbraw/zinc/77/36/87/351773687.db2.gz XBULQOPXGYVXCR-NXEZZACHSA-N 2 2 259.275 2.045 10 0 CEAELP C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)[C@H]1C[NH3+] ZINC000252094057 539998157 /nfs/dbraw/zinc/99/81/57/539998157.db2.gz FDGHPOQDFCJHHJ-FZMZJTMJSA-N 2 2 258.369 2.137 10 0 CEAELP CC1(C)CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384670194 540213057 /nfs/dbraw/zinc/21/30/57/540213057.db2.gz CWAJSYOJAHIVFM-GJZGRUSLSA-N 2 2 268.445 2.392 10 0 CEAELP CC1(C)CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384670194 540213059 /nfs/dbraw/zinc/21/30/59/540213059.db2.gz CWAJSYOJAHIVFM-GJZGRUSLSA-N 2 2 268.445 2.392 10 0 CEAELP COc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000177245031 189039014 /nfs/dbraw/zinc/03/90/14/189039014.db2.gz FXYVVWMQLCWNHO-GOEBONIOSA-N 2 2 292.423 2.193 10 0 CEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000180262107 189247199 /nfs/dbraw/zinc/24/71/99/189247199.db2.gz HDWIOGLLIKQQPU-ZIAGYGMSSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000180262107 189247200 /nfs/dbraw/zinc/24/72/00/189247200.db2.gz HDWIOGLLIKQQPU-ZIAGYGMSSA-N 2 2 270.380 2.003 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC2CC2)nc[nH+]1 ZINC000180578081 189263203 /nfs/dbraw/zinc/26/32/03/189263203.db2.gz JJLWDPMJIZLJJB-OCCSQVGLSA-N 2 2 289.427 2.265 10 0 CEAELP COC(=O)CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180670209 189268945 /nfs/dbraw/zinc/26/89/45/189268945.db2.gz WZXMOMBLICOTTK-ZDUSSCGKSA-N 2 2 287.363 2.476 10 0 CEAELP [NH3+]C[C@H](Oc1cccc2[nH+]ccn21)c1ccccc1 ZINC000089201245 363948430 /nfs/dbraw/zinc/94/84/30/363948430.db2.gz DMBYJYFTYFSPKF-ZDUSSCGKSA-N 2 2 253.305 2.413 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)n2c1 ZINC000093437744 364181194 /nfs/dbraw/zinc/18/11/94/364181194.db2.gz GBBPTGHFBDFNTO-GJZGRUSLSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)n2c1 ZINC000093437744 364181199 /nfs/dbraw/zinc/18/11/99/364181199.db2.gz GBBPTGHFBDFNTO-GJZGRUSLSA-N 2 2 284.407 2.311 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424058 364273738 /nfs/dbraw/zinc/27/37/38/364273738.db2.gz YRANKUUYSJNKPK-CHWSQXEVSA-N 2 2 254.418 2.406 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424058 364273745 /nfs/dbraw/zinc/27/37/45/364273745.db2.gz YRANKUUYSJNKPK-CHWSQXEVSA-N 2 2 254.418 2.406 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839074 367579248 /nfs/dbraw/zinc/57/92/48/367579248.db2.gz ZKNOWSDHEOOMQX-ONGXEEELSA-N 2 2 251.399 2.047 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839074 367579249 /nfs/dbraw/zinc/57/92/49/367579249.db2.gz ZKNOWSDHEOOMQX-ONGXEEELSA-N 2 2 251.399 2.047 10 0 CEAELP C[C@@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839072 367579499 /nfs/dbraw/zinc/57/94/99/367579499.db2.gz ZKNOWSDHEOOMQX-KOLCDFICSA-N 2 2 251.399 2.047 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@@H]1C[NH3+] ZINC000631839072 367579502 /nfs/dbraw/zinc/57/95/02/367579502.db2.gz ZKNOWSDHEOOMQX-KOLCDFICSA-N 2 2 251.399 2.047 10 0 CEAELP CC(C)(C)OC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640427 367584571 /nfs/dbraw/zinc/58/45/71/367584571.db2.gz SJGPBUKNQFBMAG-ZDUSSCGKSA-N 2 2 291.395 2.157 10 0 CEAELP CC(C)(C)OC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171640427 367584572 /nfs/dbraw/zinc/58/45/72/367584572.db2.gz SJGPBUKNQFBMAG-ZDUSSCGKSA-N 2 2 291.395 2.157 10 0 CEAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1C=CCCC1 ZINC000171746311 367608333 /nfs/dbraw/zinc/60/83/33/367608333.db2.gz DLHNHSWJLXUORV-INIZCTEOSA-N 2 2 288.439 2.388 10 0 CEAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@H]1C=CCCC1 ZINC000171746311 367608336 /nfs/dbraw/zinc/60/83/36/367608336.db2.gz DLHNHSWJLXUORV-INIZCTEOSA-N 2 2 288.439 2.388 10 0 CEAELP Cc1ccc2nc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cn2c1 ZINC000231671039 370486797 /nfs/dbraw/zinc/48/67/97/370486797.db2.gz OTEKOVHURQEURG-HNNXBMFYSA-N 2 2 272.396 2.217 10 0 CEAELP Cc1ccc2nc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cn2c1 ZINC000231671039 370486802 /nfs/dbraw/zinc/48/68/02/370486802.db2.gz OTEKOVHURQEURG-HNNXBMFYSA-N 2 2 272.396 2.217 10 0 CEAELP C[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH3+] ZINC000235383920 370563690 /nfs/dbraw/zinc/56/36/90/370563690.db2.gz FGIHRMWFAPICQB-MNOVXSKESA-N 2 2 292.408 2.010 10 0 CEAELP C[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1[NH3+] ZINC000235383920 370563695 /nfs/dbraw/zinc/56/36/95/370563695.db2.gz FGIHRMWFAPICQB-MNOVXSKESA-N 2 2 292.408 2.010 10 0 CEAELP Cc1ccc(OCCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235363105 370563886 /nfs/dbraw/zinc/56/38/86/370563886.db2.gz VNXSIQUOINEXSP-ZBFHGGJFSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(OCCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1C ZINC000235363105 370563891 /nfs/dbraw/zinc/56/38/91/370563891.db2.gz VNXSIQUOINEXSP-ZBFHGGJFSA-N 2 2 262.397 2.351 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1[NH3+] ZINC000235713021 370575967 /nfs/dbraw/zinc/57/59/67/370575967.db2.gz NTOZCVCVWGLFSD-HZMBPMFUSA-N 2 2 259.328 2.153 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1[NH3+] ZINC000235713021 370575969 /nfs/dbraw/zinc/57/59/69/370575969.db2.gz NTOZCVCVWGLFSD-HZMBPMFUSA-N 2 2 259.328 2.153 10 0 CEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248623792 371224600 /nfs/dbraw/zinc/22/46/00/371224600.db2.gz ODGSCFJVIYYMNV-KGLIPLIRSA-N 2 2 283.379 2.367 10 0 CEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248623792 371224605 /nfs/dbraw/zinc/22/46/05/371224605.db2.gz ODGSCFJVIYYMNV-KGLIPLIRSA-N 2 2 283.379 2.367 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248747313 371241531 /nfs/dbraw/zinc/24/15/31/371241531.db2.gz BFSPXHYWJCMESJ-HUUCEWRRSA-N 2 2 261.369 2.349 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248747313 371241536 /nfs/dbraw/zinc/24/15/36/371241536.db2.gz BFSPXHYWJCMESJ-HUUCEWRRSA-N 2 2 261.369 2.349 10 0 CEAELP C[C@@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H](C)[NH3+] ZINC000248991847 371280609 /nfs/dbraw/zinc/28/06/09/371280609.db2.gz HGACDIKAGISKGP-AGIUHOORSA-N 2 2 286.379 2.033 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)[C@H]1C ZINC000261599926 371670486 /nfs/dbraw/zinc/67/04/86/371670486.db2.gz WGOANOQNRZGZJM-QXSJWSMHSA-N 2 2 295.471 2.001 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)[C@H]1C ZINC000261599926 371670493 /nfs/dbraw/zinc/67/04/93/371670493.db2.gz WGOANOQNRZGZJM-QXSJWSMHSA-N 2 2 295.471 2.001 10 0 CEAELP Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261631802 371685903 /nfs/dbraw/zinc/68/59/03/371685903.db2.gz FAUIYVRQIUEJEJ-CQSZACIVSA-N 2 2 286.379 2.044 10 0 CEAELP Cc1ccc(C[C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261631802 371685910 /nfs/dbraw/zinc/68/59/10/371685910.db2.gz FAUIYVRQIUEJEJ-CQSZACIVSA-N 2 2 286.379 2.044 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000261920112 371770668 /nfs/dbraw/zinc/77/06/68/371770668.db2.gz BOKXMVHOZIDDIZ-HIFRSBDPSA-N 2 2 262.397 2.483 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000261920112 371770677 /nfs/dbraw/zinc/77/06/77/371770677.db2.gz BOKXMVHOZIDDIZ-HIFRSBDPSA-N 2 2 262.397 2.483 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000261980390 371788408 /nfs/dbraw/zinc/78/84/08/371788408.db2.gz JEJIPUWJPANXQU-JQWIXIFHSA-N 2 2 288.313 2.407 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000261980390 371788411 /nfs/dbraw/zinc/78/84/11/371788411.db2.gz JEJIPUWJPANXQU-JQWIXIFHSA-N 2 2 288.313 2.407 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509327 376852208 /nfs/dbraw/zinc/85/22/08/376852208.db2.gz MVOJFXNSBPIGOP-BLLLJJGKSA-N 2 2 275.396 2.390 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509327 376852213 /nfs/dbraw/zinc/85/22/13/376852213.db2.gz MVOJFXNSBPIGOP-BLLLJJGKSA-N 2 2 275.396 2.390 10 0 CEAELP CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927248 184744651 /nfs/dbraw/zinc/74/46/51/184744651.db2.gz SLNVQTVJDSGYNH-RYUDHWBXSA-N 2 2 282.350 2.416 10 0 CEAELP CC[NH2+][C@@H](CCC(F)(F)F)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093927248 184744652 /nfs/dbraw/zinc/74/46/52/184744652.db2.gz SLNVQTVJDSGYNH-RYUDHWBXSA-N 2 2 282.350 2.416 10 0 CEAELP CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927388 184744668 /nfs/dbraw/zinc/74/46/68/184744668.db2.gz GCSOACNYDQFYEU-IAGOWNOFSA-N 2 2 294.414 2.456 10 0 CEAELP CC[NH2+][C@H](Cc1cccc(F)c1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927388 184744669 /nfs/dbraw/zinc/74/46/69/184744669.db2.gz GCSOACNYDQFYEU-IAGOWNOFSA-N 2 2 294.414 2.456 10 0 CEAELP C[NH2+][C@@H](CSC1CCCC1)Cc1[nH+]ccn1C ZINC000094161065 184757916 /nfs/dbraw/zinc/75/79/16/184757916.db2.gz PZOCYAMASCNZCY-LLVKDONJSA-N 2 2 253.415 2.226 10 0 CEAELP C[C@@H]1C[NH2+][C@H](C2CC2)CN1c1ccc([NH+](C)C)cc1 ZINC000086219020 135039825 /nfs/dbraw/zinc/03/98/25/135039825.db2.gz RDUCPYBNVNSWMO-WBMJQRKESA-N 2 2 259.397 2.329 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089140359 135058247 /nfs/dbraw/zinc/05/82/47/135058247.db2.gz RGCMZWYDBVXJPW-RHSMWYFYSA-N 2 2 289.423 2.453 10 0 CEAELP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221044 135079676 /nfs/dbraw/zinc/07/96/76/135079676.db2.gz GWYNLDIHVTWIRB-QWHCGFSZSA-N 2 2 279.815 2.342 10 0 CEAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000384380045 395192869 /nfs/dbraw/zinc/19/28/69/395192869.db2.gz KTYQLBHSKMCZEL-QGZVFWFLSA-N 2 2 274.408 2.110 10 0 CEAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000384380045 395192872 /nfs/dbraw/zinc/19/28/72/395192872.db2.gz KTYQLBHSKMCZEL-QGZVFWFLSA-N 2 2 274.408 2.110 10 0 CEAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000334832557 154235493 /nfs/dbraw/zinc/23/54/93/154235493.db2.gz DTEZSXAVCLMXIJ-SKDRFNHKSA-N 2 2 284.201 2.074 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)COC)C1 ZINC000173698943 165076917 /nfs/dbraw/zinc/07/69/17/165076917.db2.gz SKDQOXLNCCTISX-QWHCGFSZSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC000173698943 165076919 /nfs/dbraw/zinc/07/69/19/165076919.db2.gz SKDQOXLNCCTISX-QWHCGFSZSA-N 2 2 251.374 2.117 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221706 173041625 /nfs/dbraw/zinc/04/16/25/173041625.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 3 2 269.477 2.283 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221706 173041629 /nfs/dbraw/zinc/04/16/29/173041629.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 3 2 269.477 2.283 10 0 CEAELP Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320426 173121196 /nfs/dbraw/zinc/12/11/96/173121196.db2.gz OVVABXQZEJGNEZ-GXSJLCMTSA-N 2 2 250.371 2.387 10 0 CEAELP C[C@@H](CN[C@H](c1cccs1)c1[nH+]ccn1C)[NH+](C)C ZINC000038087561 174099330 /nfs/dbraw/zinc/09/93/30/174099330.db2.gz YNFYFWSBPMHXCD-WCQYABFASA-N 2 2 278.425 2.111 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600944 174351105 /nfs/dbraw/zinc/35/11/05/174351105.db2.gz IFTBQNSIRQTRSY-AWEZNQCLSA-N 2 2 290.407 2.329 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)ccc2OC)C1 ZINC000040600944 174351107 /nfs/dbraw/zinc/35/11/07/174351107.db2.gz IFTBQNSIRQTRSY-AWEZNQCLSA-N 2 2 290.407 2.329 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672931 174371105 /nfs/dbraw/zinc/37/11/05/174371105.db2.gz RAFPTGHLPFLTEP-INIZCTEOSA-N 2 2 273.424 2.471 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672931 174371106 /nfs/dbraw/zinc/37/11/06/174371106.db2.gz RAFPTGHLPFLTEP-INIZCTEOSA-N 2 2 273.424 2.471 10 0 CEAELP CC[C@H](CC[NH3+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693639 174377444 /nfs/dbraw/zinc/37/74/44/174377444.db2.gz AHNCZEAGRZHLTI-CQSZACIVSA-N 3 2 253.434 2.064 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000041023818 174452393 /nfs/dbraw/zinc/45/23/93/174452393.db2.gz QDRWCDDGHZTKED-QMMMGPOBSA-N 2 2 275.381 2.073 10 0 CEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310796042 414857414 /nfs/dbraw/zinc/85/74/14/414857414.db2.gz WACNKYWRKCJHJX-SMDDNHRTSA-N 2 2 270.804 2.303 10 0 CEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000310796042 414857419 /nfs/dbraw/zinc/85/74/19/414857419.db2.gz WACNKYWRKCJHJX-SMDDNHRTSA-N 2 2 270.804 2.303 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334604 175010379 /nfs/dbraw/zinc/01/03/79/175010379.db2.gz HQDSWRCYBVMNSU-DOMZBBRYSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334604 175010380 /nfs/dbraw/zinc/01/03/80/175010380.db2.gz HQDSWRCYBVMNSU-DOMZBBRYSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334603 175010701 /nfs/dbraw/zinc/01/07/01/175010701.db2.gz HQDSWRCYBVMNSU-WFASDCNBSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334603 175010702 /nfs/dbraw/zinc/01/07/02/175010702.db2.gz HQDSWRCYBVMNSU-WFASDCNBSA-N 2 2 259.353 2.237 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCCSCC1 ZINC000043347392 175017718 /nfs/dbraw/zinc/01/77/18/175017718.db2.gz JNUUBRYZJLURAG-UONOGXRCSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCCSCC1 ZINC000043347392 175017719 /nfs/dbraw/zinc/01/77/19/175017719.db2.gz JNUUBRYZJLURAG-UONOGXRCSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCOC)CC(C)C ZINC000043354388 175021792 /nfs/dbraw/zinc/02/17/92/175021792.db2.gz OYNIOHCCKLNUTQ-HZPDHXFCSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCOC)CC(C)C ZINC000043354388 175021793 /nfs/dbraw/zinc/02/17/93/175021793.db2.gz OYNIOHCCKLNUTQ-HZPDHXFCSA-N 2 2 279.428 2.464 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364575 175025751 /nfs/dbraw/zinc/02/57/51/175025751.db2.gz RFKZRUJECSQEGH-WFASDCNBSA-N 2 2 266.385 2.477 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000043898153 175120931 /nfs/dbraw/zinc/12/09/31/175120931.db2.gz UAWXYWJJUMKVLA-BPLDGKMQSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000043898153 175120932 /nfs/dbraw/zinc/12/09/32/175120932.db2.gz UAWXYWJJUMKVLA-BPLDGKMQSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898757 175121270 /nfs/dbraw/zinc/12/12/70/175121270.db2.gz ABHBCHKYJPMHCW-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898757 175121271 /nfs/dbraw/zinc/12/12/71/175121271.db2.gz ABHBCHKYJPMHCW-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCC(CC)CC1 ZINC000043913620 175124230 /nfs/dbraw/zinc/12/42/30/175124230.db2.gz SLFIPWPWKMDSGX-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915359 175124265 /nfs/dbraw/zinc/12/42/65/175124265.db2.gz YILKSEIMRJYWMF-ULQDDVLXSA-N 2 2 276.424 2.489 10 0 CEAELP C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915359 175124266 /nfs/dbraw/zinc/12/42/66/175124266.db2.gz YILKSEIMRJYWMF-ULQDDVLXSA-N 2 2 276.424 2.489 10 0 CEAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043915444 175125073 /nfs/dbraw/zinc/12/50/73/175125073.db2.gz VHTZYKWLISNYGT-UKRRQHHQSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043915444 175125074 /nfs/dbraw/zinc/12/50/74/175125074.db2.gz VHTZYKWLISNYGT-UKRRQHHQSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916652 175125535 /nfs/dbraw/zinc/12/55/35/175125535.db2.gz RVKLUIUZTLOEMU-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916652 175125536 /nfs/dbraw/zinc/12/55/36/175125536.db2.gz RVKLUIUZTLOEMU-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[N@H+](CC1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967452 175128328 /nfs/dbraw/zinc/12/83/28/175128328.db2.gz YGFXGTSBFJGTCG-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP CCC[N@@H+](CC1CC1)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967452 175128330 /nfs/dbraw/zinc/12/83/30/175128330.db2.gz YGFXGTSBFJGTCG-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969896 175131541 /nfs/dbraw/zinc/13/15/41/175131541.db2.gz AZZRDQSOUYUTTF-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969896 175131542 /nfs/dbraw/zinc/13/15/42/175131542.db2.gz AZZRDQSOUYUTTF-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](C)[C@@H](C)c1cccs1 ZINC000045043571 175295569 /nfs/dbraw/zinc/29/55/69/175295569.db2.gz QEVIDBRKPLMZAQ-AAEUAGOBSA-N 2 2 256.415 2.495 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)[C@@H](C)c1cccs1 ZINC000045043571 175295570 /nfs/dbraw/zinc/29/55/70/175295570.db2.gz QEVIDBRKPLMZAQ-AAEUAGOBSA-N 2 2 256.415 2.495 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313044 /nfs/dbraw/zinc/31/30/44/175313044.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313046 /nfs/dbraw/zinc/31/30/46/175313046.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313047 /nfs/dbraw/zinc/31/30/47/175313047.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313049 /nfs/dbraw/zinc/31/30/49/175313049.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367789 175363306 /nfs/dbraw/zinc/36/33/06/175363306.db2.gz ZUDKPRQUGGCYQW-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367789 175363307 /nfs/dbraw/zinc/36/33/07/175363307.db2.gz ZUDKPRQUGGCYQW-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381059 175370422 /nfs/dbraw/zinc/37/04/22/175370422.db2.gz NPSRTTAWHQDVFR-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381059 175370424 /nfs/dbraw/zinc/37/04/24/175370424.db2.gz NPSRTTAWHQDVFR-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CCn1cc(-c2c[nH]c([C@@H]3CCC[C@H]([NH3+])C3)[nH+]2)cn1 ZINC000070578906 175994103 /nfs/dbraw/zinc/99/41/03/175994103.db2.gz PQQUGFJWYQOIQR-PWSUYJOCSA-N 2 2 259.357 2.278 10 0 CEAELP [NH3+]CC[N@H+](CC(=O)NC1CCCCCC1)C1CCCC1 ZINC000070975459 176017812 /nfs/dbraw/zinc/01/78/12/176017812.db2.gz FRGCJTSZORSPBM-UHFFFAOYSA-N 2 2 281.444 2.029 10 0 CEAELP [NH3+]CC[N@@H+](CC(=O)NC1CCCCCC1)C1CCCC1 ZINC000070975459 176017814 /nfs/dbraw/zinc/01/78/14/176017814.db2.gz FRGCJTSZORSPBM-UHFFFAOYSA-N 2 2 281.444 2.029 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090883 176031482 /nfs/dbraw/zinc/03/14/82/176031482.db2.gz FXXVMILERCASHJ-CZUORRHYSA-N 2 2 271.364 2.175 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091574 176032161 /nfs/dbraw/zinc/03/21/61/176032161.db2.gz KSUWRYVTEOFNLL-INIZCTEOSA-N 2 2 262.397 2.361 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071091574 176032162 /nfs/dbraw/zinc/03/21/62/176032162.db2.gz KSUWRYVTEOFNLL-INIZCTEOSA-N 2 2 262.397 2.361 10 0 CEAELP C[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191354 176070315 /nfs/dbraw/zinc/07/03/15/176070315.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191354 176070316 /nfs/dbraw/zinc/07/03/16/176070316.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191354 176070318 /nfs/dbraw/zinc/07/03/18/176070318.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191354 176070319 /nfs/dbraw/zinc/07/03/19/176070319.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 3 2 275.440 2.221 10 0 CEAELP CCOC(=O)CCCCC[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000071293785 176111873 /nfs/dbraw/zinc/11/18/73/176111873.db2.gz NUXQMXOBICKXKL-AWEZNQCLSA-N 2 2 272.433 2.286 10 0 CEAELP CC[N@H+]([C@@H](C)c1ccc(O)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071311938 176118998 /nfs/dbraw/zinc/11/89/98/176118998.db2.gz FTBIFDZHOOXMDE-AAEUAGOBSA-N 2 2 264.369 2.146 10 0 CEAELP CC[N@@H+]([C@@H](C)c1ccc(O)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000071311938 176118999 /nfs/dbraw/zinc/11/89/99/176118999.db2.gz FTBIFDZHOOXMDE-AAEUAGOBSA-N 2 2 264.369 2.146 10 0 CEAELP CC[N@H+](Cc1cn(C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000071312308 176119211 /nfs/dbraw/zinc/11/92/11/176119211.db2.gz VWHJDUDEXXJYJB-AWEZNQCLSA-N 2 2 257.381 2.362 10 0 CEAELP CC[N@@H+](Cc1cn(C)c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000071312308 176119213 /nfs/dbraw/zinc/11/92/13/176119213.db2.gz VWHJDUDEXXJYJB-AWEZNQCLSA-N 2 2 257.381 2.362 10 0 CEAELP CC[C@]1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H](C(C)C)CN1 ZINC000071356936 176136749 /nfs/dbraw/zinc/13/67/49/176136749.db2.gz XMVAPDPVLKRFIE-JKSUJKDBSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@]1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H](C(C)C)CN1 ZINC000071356936 176136751 /nfs/dbraw/zinc/13/67/51/176136751.db2.gz XMVAPDPVLKRFIE-JKSUJKDBSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071355677 176137047 /nfs/dbraw/zinc/13/70/47/176137047.db2.gz KOEMUBYPJHSCBN-GJZGRUSLSA-N 2 2 278.444 2.372 10 0 CEAELP C[C@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000071359187 176137231 /nfs/dbraw/zinc/13/72/31/176137231.db2.gz FOQOWUVKDBMBDE-MRXNPFEDSA-N 2 2 288.439 2.270 10 0 CEAELP C[C@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@H+]1CCn1cccn1 ZINC000071359187 176137233 /nfs/dbraw/zinc/13/72/33/176137233.db2.gz FOQOWUVKDBMBDE-MRXNPFEDSA-N 2 2 288.439 2.270 10 0 CEAELP C(C1CCOCC1)[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000071358726 176137696 /nfs/dbraw/zinc/13/76/96/176137696.db2.gz BWGKKDBTIHDZIU-INIZCTEOSA-N 2 2 278.440 2.410 10 0 CEAELP C(C1CCOCC1)[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000071358726 176137698 /nfs/dbraw/zinc/13/76/98/176137698.db2.gz BWGKKDBTIHDZIU-INIZCTEOSA-N 2 2 278.440 2.410 10 0 CEAELP CCN(C[C@@H](C[NH3+])[NH+]1CCCCC1)c1ccccc1 ZINC000076673474 177054754 /nfs/dbraw/zinc/05/47/54/177054754.db2.gz AMHIRVUQSCQKNB-MRXNPFEDSA-N 2 2 261.413 2.326 10 0 CEAELP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000136323502 419445295 /nfs/dbraw/zinc/44/52/95/419445295.db2.gz WYZNKOGFGFBLTR-LBPRGKRZSA-N 2 2 272.352 2.184 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810700 279323455 /nfs/dbraw/zinc/32/34/55/279323455.db2.gz IYZJAMURRGKJBI-SDDRHHMPSA-N 2 2 280.334 2.170 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000336810700 279323458 /nfs/dbraw/zinc/32/34/58/279323458.db2.gz IYZJAMURRGKJBI-SDDRHHMPSA-N 2 2 280.334 2.170 10 0 CEAELP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000262115719 297028790 /nfs/dbraw/zinc/02/87/90/297028790.db2.gz WWJSKFTULUIOIW-DJIMGWMZSA-N 2 2 274.408 2.448 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000262115719 297028791 /nfs/dbraw/zinc/02/87/91/297028791.db2.gz WWJSKFTULUIOIW-DJIMGWMZSA-N 2 2 274.408 2.448 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1cc(Br)cs1 ZINC000052304252 527198388 /nfs/dbraw/zinc/19/83/88/527198388.db2.gz OUCCLSYEIIRNQR-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000516173842 313083238 /nfs/dbraw/zinc/08/32/38/313083238.db2.gz DJIALPWICLANIG-VQHPVUNQSA-N 3 2 281.488 2.475 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@H+](CCC[NH+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950725 /nfs/dbraw/zinc/95/07/25/519950725.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950734 /nfs/dbraw/zinc/95/07/34/519950734.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@@H]1CC[NH+](CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950741 /nfs/dbraw/zinc/95/07/41/519950741.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@@H]1CC[NH+](CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950748 /nfs/dbraw/zinc/95/07/48/519950748.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 3 2 267.461 2.182 10 0 CEAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572286 522544438 /nfs/dbraw/zinc/54/44/38/522544438.db2.gz SDDALTOZTUTTJT-KBPBESRZSA-N 2 2 274.449 2.136 10 0 CEAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572286 522544448 /nfs/dbraw/zinc/54/44/48/522544448.db2.gz SDDALTOZTUTTJT-KBPBESRZSA-N 2 2 274.449 2.136 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)C(=O)OCC)CC1 ZINC000049369777 519847708 /nfs/dbraw/zinc/84/77/08/519847708.db2.gz XCUDBVYLEUURKC-OLZOCXBDSA-N 2 2 270.417 2.038 10 0 CEAELP CC[NH2+]C(C)(C)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000061290101 519907560 /nfs/dbraw/zinc/90/75/60/519907560.db2.gz YMLCGXORNHECSM-UHFFFAOYSA-N 2 2 286.379 2.258 10 0 CEAELP CC[NH2+]C(C)(C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000061290354 519908096 /nfs/dbraw/zinc/90/80/96/519908096.db2.gz FIDGEMVZUIWFRW-UHFFFAOYSA-N 2 2 272.352 2.199 10 0 CEAELP CC[NH2+]C[C@H](C)c1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000061219406 519971087 /nfs/dbraw/zinc/97/10/87/519971087.db2.gz GSJUEABJFDATOA-VIFPVBQESA-N 2 2 263.341 2.293 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCC(C)(C)CC1)OCCO2 ZINC000061819712 520117208 /nfs/dbraw/zinc/11/72/08/520117208.db2.gz ZNRMDMFAERTPGD-CABCVRRESA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000053875449 520118374 /nfs/dbraw/zinc/11/83/74/520118374.db2.gz YTKKWDDGLAJECQ-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000053875449 520118379 /nfs/dbraw/zinc/11/83/79/520118379.db2.gz YTKKWDDGLAJECQ-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CCNc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000050792782 520299069 /nfs/dbraw/zinc/29/90/69/520299069.db2.gz REPCVVUEESFPTL-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000050792782 520299078 /nfs/dbraw/zinc/29/90/78/520299078.db2.gz REPCVVUEESFPTL-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578970 521137588 /nfs/dbraw/zinc/13/75/88/521137588.db2.gz YRIZIDRFCSMLPI-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578970 521137598 /nfs/dbraw/zinc/13/75/98/521137598.db2.gz YRIZIDRFCSMLPI-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631386 521183981 /nfs/dbraw/zinc/18/39/81/521183981.db2.gz XUBLNEDIYCQAIF-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CC[C@H](C)C[C@@H]1C ZINC000068631386 521183987 /nfs/dbraw/zinc/18/39/87/521183987.db2.gz XUBLNEDIYCQAIF-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@@](C)([NH3+])C(=O)OC ZINC000068650186 522503620 /nfs/dbraw/zinc/50/36/20/522503620.db2.gz CZMRLHYUDHQVNW-MEDUHNTESA-N 2 2 289.379 2.440 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757619 522653094 /nfs/dbraw/zinc/65/30/94/522653094.db2.gz HZNHVTZZALSFLV-IIAWOOMASA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757619 522653102 /nfs/dbraw/zinc/65/31/02/522653102.db2.gz HZNHVTZZALSFLV-IIAWOOMASA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000051087175 523332150 /nfs/dbraw/zinc/33/21/50/523332150.db2.gz KQFNVCZCILTNNG-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000051087175 523332158 /nfs/dbraw/zinc/33/21/58/523332158.db2.gz KQFNVCZCILTNNG-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP C[N@H+](Cc1cccnc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624643 523417908 /nfs/dbraw/zinc/41/79/08/523417908.db2.gz CPHZGCVRIWLCHW-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1cccnc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624643 523417918 /nfs/dbraw/zinc/41/79/18/523417918.db2.gz CPHZGCVRIWLCHW-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP CCn1cc[nH+]c1-c1cc(OC)c(OC)cc1C[NH2+]C ZINC000069474219 523511861 /nfs/dbraw/zinc/51/18/61/523511861.db2.gz QTBOZIRBZGPIAT-UHFFFAOYSA-N 2 2 275.352 2.307 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502649 523781051 /nfs/dbraw/zinc/78/10/51/523781051.db2.gz MLEIVLXSDSAOOK-INIZCTEOSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502649 523781055 /nfs/dbraw/zinc/78/10/55/523781055.db2.gz MLEIVLXSDSAOOK-INIZCTEOSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502651 523782909 /nfs/dbraw/zinc/78/29/09/523782909.db2.gz MLEIVLXSDSAOOK-MRXNPFEDSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])c1cccc2cccnc21)C1CC1 ZINC000069502651 523782914 /nfs/dbraw/zinc/78/29/14/523782914.db2.gz MLEIVLXSDSAOOK-MRXNPFEDSA-N 2 2 285.391 2.345 10 0 CEAELP CCc1cc(N[C@@H](CC(C)C)C[NH+](C)C)nc[nH+]1 ZINC000049558091 523823220 /nfs/dbraw/zinc/82/32/20/523823220.db2.gz HDILZUXIJLUQPD-ZDUSSCGKSA-N 2 2 250.390 2.427 10 0 CEAELP C[C@@H](CC[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049559117 524480751 /nfs/dbraw/zinc/48/07/51/524480751.db2.gz WLMGRUPXUWAAIQ-VIFPVBQESA-N 2 2 250.321 2.270 10 0 CEAELP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000050945180 526548401 /nfs/dbraw/zinc/54/84/01/526548401.db2.gz KQHYDOJMCCAATO-KKUMJFAQSA-N 2 2 290.411 2.015 10 0 CEAELP Cc1[nH]c(C[NH2+]Cc2ccccc2-n2cccn2)c[nH+]1 ZINC000054822420 526888631 /nfs/dbraw/zinc/88/86/31/526888631.db2.gz AWIPVJXJINOAOU-UHFFFAOYSA-N 2 2 267.336 2.194 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@@H]2c2cccnc2)cc[nH+]1 ZINC000061811574 527248679 /nfs/dbraw/zinc/24/86/79/527248679.db2.gz VFUAZACFOBBKBT-OAHLLOKOSA-N 2 2 254.337 2.277 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000095936767 185034181 /nfs/dbraw/zinc/03/41/81/185034181.db2.gz XMVWLYSTZABKHZ-MRXNPFEDSA-N 2 2 260.381 2.413 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000095936767 185034182 /nfs/dbraw/zinc/03/41/82/185034182.db2.gz XMVWLYSTZABKHZ-MRXNPFEDSA-N 2 2 260.381 2.413 10 0 CEAELP C[C@H](C[NH3+])c1c[nH+]c2ccc(Br)cn21 ZINC000033507413 361782509 /nfs/dbraw/zinc/78/25/09/361782509.db2.gz OJVCTVVLNUKLBU-SSDOTTSWSA-N 2 2 254.131 2.159 10 0 CEAELP Fc1ccc(Cl)cc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097007252 185150554 /nfs/dbraw/zinc/15/05/54/185150554.db2.gz LXGZQHFLFFSIJT-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000188398536 539178964 /nfs/dbraw/zinc/17/89/64/539178964.db2.gz RXVLMBGZMNLDFS-HNNXBMFYSA-N 2 2 281.363 2.424 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000188398536 539178965 /nfs/dbraw/zinc/17/89/65/539178965.db2.gz RXVLMBGZMNLDFS-HNNXBMFYSA-N 2 2 281.363 2.424 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554101 539167162 /nfs/dbraw/zinc/16/71/62/539167162.db2.gz PKOCWOFIXDNIRH-AWEZNQCLSA-N 2 2 256.434 2.225 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554101 539167164 /nfs/dbraw/zinc/16/71/64/539167164.db2.gz PKOCWOFIXDNIRH-AWEZNQCLSA-N 2 2 256.434 2.225 10 0 CEAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935533 344528138 /nfs/dbraw/zinc/52/81/38/344528138.db2.gz IOAGBFOCXFRONA-LSDHHAIUSA-N 2 2 290.407 2.178 10 0 CEAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935533 344528139 /nfs/dbraw/zinc/52/81/39/344528139.db2.gz IOAGBFOCXFRONA-LSDHHAIUSA-N 2 2 290.407 2.178 10 0 CEAELP C[NH+](C)CCC[NH2+]Cc1ccn(C2CCCCC2)n1 ZINC000085172693 178961933 /nfs/dbraw/zinc/96/19/33/178961933.db2.gz MXBHXGMTMIJDCH-UHFFFAOYSA-N 2 2 264.417 2.430 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000178308092 232369732 /nfs/dbraw/zinc/36/97/32/232369732.db2.gz ORZVQKWIJPRGRK-OAHLLOKOSA-N 2 2 263.385 2.083 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000178308092 232369735 /nfs/dbraw/zinc/36/97/35/232369735.db2.gz ORZVQKWIJPRGRK-OAHLLOKOSA-N 2 2 263.385 2.083 10 0 CEAELP O[C@@H](C[NH2+]Cc1ccsc1Cl)C[NH+]1CCCCC1 ZINC000312762771 201915188 /nfs/dbraw/zinc/91/51/88/201915188.db2.gz WAKPDPHIEFUDQX-LBPRGKRZSA-N 2 2 288.844 2.338 10 0 CEAELP Cc1cc2[nH+]cn([C@@H](C)C[C@](C)(O)C[NH3+])c2cc1C ZINC000085304586 179012180 /nfs/dbraw/zinc/01/21/80/179012180.db2.gz VGXGVIJDZQXBQB-WFASDCNBSA-N 2 2 261.369 2.314 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471604 179076460 /nfs/dbraw/zinc/07/64/60/179076460.db2.gz SPYIRQBLJKCUFT-HOCLYGCPSA-N 2 2 266.429 2.408 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085471604 179076462 /nfs/dbraw/zinc/07/64/62/179076462.db2.gz SPYIRQBLJKCUFT-HOCLYGCPSA-N 2 2 266.429 2.408 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498567 179083261 /nfs/dbraw/zinc/08/32/61/179083261.db2.gz NDDXZGSYZNZAKQ-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498567 179083264 /nfs/dbraw/zinc/08/32/64/179083264.db2.gz NDDXZGSYZNZAKQ-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085498071 179083500 /nfs/dbraw/zinc/08/35/00/179083500.db2.gz AJWVPWRFHATBDE-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085498071 179083502 /nfs/dbraw/zinc/08/35/02/179083502.db2.gz AJWVPWRFHATBDE-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1 ZINC000085549793 179092974 /nfs/dbraw/zinc/09/29/74/179092974.db2.gz BZQKFXOKCIPDGI-PSASIEDQSA-N 2 2 257.428 2.100 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1 ZINC000085549793 179092975 /nfs/dbraw/zinc/09/29/75/179092975.db2.gz BZQKFXOKCIPDGI-PSASIEDQSA-N 2 2 257.428 2.100 10 0 CEAELP CCC1(CC)C[N@H+](CCn2cc[nH+]c2C)[C@@H](C)CC[NH2+]1 ZINC000085627894 179106952 /nfs/dbraw/zinc/10/69/52/179106952.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 3 2 278.444 2.434 10 0 CEAELP CCC1(CC)C[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)CC[NH2+]1 ZINC000085627894 179106954 /nfs/dbraw/zinc/10/69/54/179106954.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 3 2 278.444 2.434 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573549 179099163 /nfs/dbraw/zinc/09/91/63/179099163.db2.gz VCRWRBBPSGUIFR-GFCCVEGCSA-N 2 2 287.411 2.284 10 0 CEAELP FC(F)(F)COCC[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612524 179102329 /nfs/dbraw/zinc/10/23/29/179102329.db2.gz SNYGGYWHQWGOKZ-UHFFFAOYSA-N 2 2 280.334 2.173 10 0 CEAELP FC(F)(F)COCC[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612524 179102332 /nfs/dbraw/zinc/10/23/32/179102332.db2.gz SNYGGYWHQWGOKZ-UHFFFAOYSA-N 2 2 280.334 2.173 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618181 179104527 /nfs/dbraw/zinc/10/45/27/179104527.db2.gz HYVULMHURWZGMC-DZGCQCFKSA-N 2 2 277.412 2.299 10 0 CEAELP COc1cccc(C[N@H+]2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618181 179104529 /nfs/dbraw/zinc/10/45/29/179104529.db2.gz HYVULMHURWZGMC-DZGCQCFKSA-N 2 2 277.412 2.299 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621891 179105976 /nfs/dbraw/zinc/10/59/76/179105976.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 3 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621891 179105979 /nfs/dbraw/zinc/10/59/79/179105979.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 3 2 278.444 2.290 10 0 CEAELP CC1(C)[C@H]([NH2+]CC[NH+]2CCCCCC2)[C@H]2CCO[C@@H]21 ZINC000085636541 179110089 /nfs/dbraw/zinc/11/00/89/179110089.db2.gz HTKUPWJXVWUNFH-KFWWJZLASA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675495 179112294 /nfs/dbraw/zinc/11/22/94/179112294.db2.gz KJURBNAPIVFZMK-XGUBFFRZSA-N 2 2 268.445 2.366 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336808583 365844624 /nfs/dbraw/zinc/84/46/24/365844624.db2.gz CJEJFIZRLQPHQS-ZBFHGGJFSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336808583 365844633 /nfs/dbraw/zinc/84/46/33/365844633.db2.gz CJEJFIZRLQPHQS-ZBFHGGJFSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1cccc(N2CC[NH+](C[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000019386051 136576837 /nfs/dbraw/zinc/57/68/37/136576837.db2.gz UGOSSCYGAIOTOA-MRXNPFEDSA-N 2 2 275.440 2.490 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000085922604 179201460 /nfs/dbraw/zinc/20/14/60/179201460.db2.gz RVOVKLWHEPSRBU-HNNXBMFYSA-N 2 2 270.461 2.495 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261360 179259880 /nfs/dbraw/zinc/25/98/80/179259880.db2.gz JBFDCTUIJSLFOV-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(CC)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261360 179259881 /nfs/dbraw/zinc/25/98/81/179259881.db2.gz JBFDCTUIJSLFOV-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264889 179260889 /nfs/dbraw/zinc/26/08/89/179260889.db2.gz WRSWLRHEVILHOL-KBPBESRZSA-N 2 2 278.444 2.265 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264810 179261349 /nfs/dbraw/zinc/26/13/49/179261349.db2.gz FCGGCWFHDATGLK-QWHCGFSZSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259072 179256483 /nfs/dbraw/zinc/25/64/83/179256483.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259072 179256484 /nfs/dbraw/zinc/25/64/84/179256484.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 3 2 279.472 2.325 10 0 CEAELP CCC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291499 179266379 /nfs/dbraw/zinc/26/63/79/179266379.db2.gz VAHKOBNBRXMBPL-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291499 179266380 /nfs/dbraw/zinc/26/63/80/179266380.db2.gz VAHKOBNBRXMBPL-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297113 179267346 /nfs/dbraw/zinc/26/73/46/179267346.db2.gz AKEJWZSVVXJUEF-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297113 179267349 /nfs/dbraw/zinc/26/73/49/179267349.db2.gz AKEJWZSVVXJUEF-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296402 179267566 /nfs/dbraw/zinc/26/75/66/179267566.db2.gz PZJUAIOLKFPIIU-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296402 179267567 /nfs/dbraw/zinc/26/75/67/179267567.db2.gz PZJUAIOLKFPIIU-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295867 179267656 /nfs/dbraw/zinc/26/76/56/179267656.db2.gz HJIYBIOVRNDVSD-MRXNPFEDSA-N 2 2 276.380 2.379 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295867 179267659 /nfs/dbraw/zinc/26/76/59/179267659.db2.gz HJIYBIOVRNDVSD-MRXNPFEDSA-N 2 2 276.380 2.379 10 0 CEAELP c1[nH]cc(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)[nH+]1 ZINC000086507166 179303110 /nfs/dbraw/zinc/30/31/10/179303110.db2.gz JOIDQXRPFSMDEH-UHFFFAOYSA-N 2 2 267.336 2.132 10 0 CEAELP c1[nH]c(CC[NH2+]Cc2c[nH]nc2-c2ccccc2)c[nH+]1 ZINC000086507166 179303111 /nfs/dbraw/zinc/30/31/11/179303111.db2.gz JOIDQXRPFSMDEH-UHFFFAOYSA-N 2 2 267.336 2.132 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1Cl ZINC000086586529 179309980 /nfs/dbraw/zinc/30/99/80/179309980.db2.gz KQFRYPKYSZASIY-AWEZNQCLSA-N 2 2 298.814 2.459 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1Cl ZINC000086586529 179309982 /nfs/dbraw/zinc/30/99/82/179309982.db2.gz KQFRYPKYSZASIY-AWEZNQCLSA-N 2 2 298.814 2.459 10 0 CEAELP Cc1ncsc1C[N@@H+](C)[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000086677323 179319538 /nfs/dbraw/zinc/31/95/38/179319538.db2.gz KMWBBPKOSQYWMY-GXFFZTMASA-N 2 2 253.415 2.401 10 0 CEAELP Cc1ncsc1C[N@H+](C)[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000086677323 179319540 /nfs/dbraw/zinc/31/95/40/179319540.db2.gz KMWBBPKOSQYWMY-GXFFZTMASA-N 2 2 253.415 2.401 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086833516 179349581 /nfs/dbraw/zinc/34/95/81/179349581.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086833516 179349582 /nfs/dbraw/zinc/34/95/82/179349582.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC000086833516 179349585 /nfs/dbraw/zinc/34/95/85/179349585.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000086833516 179349586 /nfs/dbraw/zinc/34/95/86/179349586.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP C[N@@H+]1CCC[C@@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086833745 179350467 /nfs/dbraw/zinc/35/04/67/179350467.db2.gz YBBHCSYHXHALLV-ZDUSSCGKSA-N 2 2 251.399 2.206 10 0 CEAELP C[N@H+]1CCC[C@@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086833745 179350469 /nfs/dbraw/zinc/35/04/69/179350469.db2.gz YBBHCSYHXHALLV-ZDUSSCGKSA-N 2 2 251.399 2.206 10 0 CEAELP COc1ncccc1C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840783 179353459 /nfs/dbraw/zinc/35/34/59/179353459.db2.gz JOYPJZYFZIXMAV-HNNXBMFYSA-N 2 2 277.412 2.443 10 0 CEAELP COc1ncccc1C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086840783 179353460 /nfs/dbraw/zinc/35/34/60/179353460.db2.gz JOYPJZYFZIXMAV-HNNXBMFYSA-N 2 2 277.412 2.443 10 0 CEAELP [NH3+]CCc1cn(Cc2cc(Br)cs2)c[nH+]1 ZINC000087016538 179380292 /nfs/dbraw/zinc/38/02/92/179380292.db2.gz RSTITMVAUSKARS-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983505 179374098 /nfs/dbraw/zinc/37/40/98/179374098.db2.gz XFVUCYPJRPJRGJ-ZDUSSCGKSA-N 2 2 252.333 2.318 10 0 CEAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983505 179374100 /nfs/dbraw/zinc/37/41/00/179374100.db2.gz XFVUCYPJRPJRGJ-ZDUSSCGKSA-N 2 2 252.333 2.318 10 0 CEAELP c1cn([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000616653454 348549167 /nfs/dbraw/zinc/54/91/67/348549167.db2.gz WPBBUTFYDVVBHQ-HNNXBMFYSA-N 2 2 257.337 2.304 10 0 CEAELP c1cn([C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000616653454 348549169 /nfs/dbraw/zinc/54/91/69/348549169.db2.gz WPBBUTFYDVVBHQ-HNNXBMFYSA-N 2 2 257.337 2.304 10 0 CEAELP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000400509571 233179372 /nfs/dbraw/zinc/17/93/72/233179372.db2.gz FEKAPIUSMXMSHP-GOEBONIOSA-N 2 2 284.407 2.019 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(C)o1 ZINC000090566136 180005789 /nfs/dbraw/zinc/00/57/89/180005789.db2.gz XVXQRAHXYICIPR-UKRRQHHQSA-N 2 2 266.385 2.034 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccc(C)o1 ZINC000090566136 180005792 /nfs/dbraw/zinc/00/57/92/180005792.db2.gz XVXQRAHXYICIPR-UKRRQHHQSA-N 2 2 266.385 2.034 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874405 180050255 /nfs/dbraw/zinc/05/02/55/180050255.db2.gz IJCWUEZQFGTYTE-CABCVRRESA-N 2 2 262.397 2.166 10 0 CEAELP C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)[C@@H]1C[NH3+] ZINC000090875312 180050880 /nfs/dbraw/zinc/05/08/80/180050880.db2.gz IVRYLCNJODRJAV-VHDGCEQUSA-N 2 2 260.381 2.049 10 0 CEAELP C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)[C@@H]1C[NH3+] ZINC000090875312 180050883 /nfs/dbraw/zinc/05/08/83/180050883.db2.gz IVRYLCNJODRJAV-VHDGCEQUSA-N 2 2 260.381 2.049 10 0 CEAELP CCC[N@H+](CC[NH2+]C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893492 180055476 /nfs/dbraw/zinc/05/54/76/180055476.db2.gz LQZBDCMWRDWZNH-CQSZACIVSA-N 2 2 266.360 2.061 10 0 CEAELP CCC[N@@H+](CC[NH2+]C)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893492 180055477 /nfs/dbraw/zinc/05/54/77/180055477.db2.gz LQZBDCMWRDWZNH-CQSZACIVSA-N 2 2 266.360 2.061 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907560 180062063 /nfs/dbraw/zinc/06/20/63/180062063.db2.gz BRNQKHQUTGYYEX-XHSDSOJGSA-N 2 2 260.381 2.248 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000090907560 180062065 /nfs/dbraw/zinc/06/20/65/180062065.db2.gz BRNQKHQUTGYYEX-XHSDSOJGSA-N 2 2 260.381 2.248 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)oc1C[NH2+]C(C)C ZINC000090907824 180062439 /nfs/dbraw/zinc/06/24/39/180062439.db2.gz RDTOYQAITQHWIC-OKILXGFUSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)oc1C[NH2+]C(C)C ZINC000090907824 180062441 /nfs/dbraw/zinc/06/24/41/180062441.db2.gz RDTOYQAITQHWIC-OKILXGFUSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)c3csc(C[NH3+])n3)cc2[nH+]1 ZINC000090930647 180063960 /nfs/dbraw/zinc/06/39/60/180063960.db2.gz BIECKYCOWYMUAI-UHFFFAOYSA-N 2 2 287.348 2.039 10 0 CEAELP Nc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000090959940 180075324 /nfs/dbraw/zinc/07/53/24/180075324.db2.gz CCPXZYYZRGBFKY-NEPJUHHUSA-N 2 2 262.382 2.410 10 0 CEAELP CC[N@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC000091019668 180087755 /nfs/dbraw/zinc/08/77/55/180087755.db2.gz ICVAKHFVVCFAIU-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[NH2+]C1 ZINC000091019668 180087756 /nfs/dbraw/zinc/08/77/56/180087756.db2.gz ICVAKHFVVCFAIU-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP C[NH2+]C[C@H]1CCCCN1Cc1c[nH+]cn1C(C)C ZINC000091272984 180117893 /nfs/dbraw/zinc/11/78/93/180117893.db2.gz XZAJQZVDMBWNTG-CYBMUJFWSA-N 2 2 250.390 2.038 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275394 180118681 /nfs/dbraw/zinc/11/86/81/180118681.db2.gz XOJRNUBQUGKHFJ-LRDDRELGSA-N 2 2 274.412 2.353 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275394 180118682 /nfs/dbraw/zinc/11/86/82/180118682.db2.gz XOJRNUBQUGKHFJ-LRDDRELGSA-N 2 2 274.412 2.353 10 0 CEAELP CC1(C)CCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276521 180120569 /nfs/dbraw/zinc/12/05/69/180120569.db2.gz DVHXWLCBHWSQOC-ZDUSSCGKSA-N 2 2 262.401 2.340 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccs1)[N@H+](C)CC1CC(O)C1 ZINC000091451652 180158866 /nfs/dbraw/zinc/15/88/66/180158866.db2.gz NCBDVLFNZWZHNK-UAKHECDHSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)CC1CC(O)C1 ZINC000091451652 180158867 /nfs/dbraw/zinc/15/88/67/180158867.db2.gz NCBDVLFNZWZHNK-UAKHECDHSA-N 2 2 268.426 2.229 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000091403872 180146936 /nfs/dbraw/zinc/14/69/36/180146936.db2.gz ZNFXQCLADOLXIO-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000091403872 180146938 /nfs/dbraw/zinc/14/69/38/180146938.db2.gz ZNFXQCLADOLXIO-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP C[NH2+][C@H](C)C(C)(C)C[N@H+](CCN(C)C)CC(C)C ZINC000091403265 180147374 /nfs/dbraw/zinc/14/73/74/180147374.db2.gz CHEKEFFJFJHMNW-CQSZACIVSA-N 2 2 257.466 2.140 10 0 CEAELP C[NH2+][C@H](C)C(C)(C)C[N@@H+](CCN(C)C)CC(C)C ZINC000091403265 180147377 /nfs/dbraw/zinc/14/73/77/180147377.db2.gz CHEKEFFJFJHMNW-CQSZACIVSA-N 2 2 257.466 2.140 10 0 CEAELP CC[NH2+][C@@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091565124 180193458 /nfs/dbraw/zinc/19/34/58/180193458.db2.gz GRNFWBNAIVXHOY-HNNXBMFYSA-N 2 2 290.455 2.449 10 0 CEAELP CC(C)([C@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCCC1 ZINC000091567530 180195020 /nfs/dbraw/zinc/19/50/20/180195020.db2.gz VQHVPEZLAJRMQI-CQSZACIVSA-N 2 2 277.412 2.222 10 0 CEAELP C[NH2+][C@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568141 180195075 /nfs/dbraw/zinc/19/50/75/180195075.db2.gz PPOUGDXZIGCFNI-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH+](C)C(C)(C)[C@@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000091528394 180179740 /nfs/dbraw/zinc/17/97/40/180179740.db2.gz VNUYOADXKLSMHH-AWEZNQCLSA-N 2 2 264.417 2.208 10 0 CEAELP CC[NH+](CC)C1([C@@H]([NH3+])C2CCOCC2)CCCC1 ZINC000091639067 180212010 /nfs/dbraw/zinc/21/20/10/180212010.db2.gz ANZAAJBRTAFTHC-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP Nc1cc(C[C@H](O)C2([NH+]3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641618 180212919 /nfs/dbraw/zinc/21/29/19/180212919.db2.gz MFOISCKFBDBHRH-HNNXBMFYSA-N 2 2 289.423 2.366 10 0 CEAELP [NH3+][C@@H](CCC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643002 180213999 /nfs/dbraw/zinc/21/39/99/180213999.db2.gz UDVCLYAIUCPAEI-AWEZNQCLSA-N 2 2 252.402 2.149 10 0 CEAELP CC[NH2+][C@H](C(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000091646278 180215899 /nfs/dbraw/zinc/21/58/99/180215899.db2.gz QNBWLVVILJRDSL-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CC1CCC([C@H](N)c2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648807 180216118 /nfs/dbraw/zinc/21/61/18/180216118.db2.gz UBOKLVQFOFIAOR-XGTXGMFGSA-N 2 2 262.401 2.174 10 0 CEAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721301 180238018 /nfs/dbraw/zinc/23/80/18/180238018.db2.gz HCPYJFLAIPSAGX-IXDOHACOSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721301 180238021 /nfs/dbraw/zinc/23/80/21/180238021.db2.gz HCPYJFLAIPSAGX-IXDOHACOSA-N 2 2 274.408 2.427 10 0 CEAELP CC[NH2+][C@H](c1cccs1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722023 180239833 /nfs/dbraw/zinc/23/98/33/180239833.db2.gz CZQRTVOZXVZPNH-BZPMIXESSA-N 2 2 266.410 2.262 10 0 CEAELP CC[NH2+][C@H](c1cccs1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722023 180239835 /nfs/dbraw/zinc/23/98/35/180239835.db2.gz CZQRTVOZXVZPNH-BZPMIXESSA-N 2 2 266.410 2.262 10 0 CEAELP CC[NH2+][C@H](C)c1sc([C@@H]2C[N@H+](C)CCO2)nc1C ZINC000091722423 180240618 /nfs/dbraw/zinc/24/06/18/180240618.db2.gz VEIGEHNJENXWKP-KOLCDFICSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@H](C)c1sc([C@@H]2C[N@@H+](C)CCO2)nc1C ZINC000091722423 180240620 /nfs/dbraw/zinc/24/06/20/180240620.db2.gz VEIGEHNJENXWKP-KOLCDFICSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721825 180240730 /nfs/dbraw/zinc/24/07/30/180240730.db2.gz SEKOYYFFPQGRLC-OWCLPIDISA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721825 180240733 /nfs/dbraw/zinc/24/07/33/180240733.db2.gz SEKOYYFFPQGRLC-OWCLPIDISA-N 2 2 296.361 2.479 10 0 CEAELP C[N@@H+]1CCO[C@@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723186 180241944 /nfs/dbraw/zinc/24/19/44/180241944.db2.gz UEHMDRYQMMQRDD-CYBMUJFWSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723186 180241946 /nfs/dbraw/zinc/24/19/46/180241946.db2.gz UEHMDRYQMMQRDD-CYBMUJFWSA-N 2 2 289.404 2.272 10 0 CEAELP C[NH2+][C@H](C)c1ccn(Cc2[nH+]ccn2C(F)F)c1 ZINC000091804667 180259952 /nfs/dbraw/zinc/25/99/52/180259952.db2.gz ZFSOOTBFEXSQTQ-SECBINFHSA-N 2 2 254.284 2.408 10 0 CEAELP COCc1cccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092082714 180319341 /nfs/dbraw/zinc/31/93/41/180319341.db2.gz JLMKYQSNUNVRHB-XEZPLFJOSA-N 2 2 262.397 2.421 10 0 CEAELP C[N@H+](CC[NH2+]C1CC1)C[C@@H]1Cc2ccccc2S1 ZINC000092262988 180355001 /nfs/dbraw/zinc/35/50/01/180355001.db2.gz HURHDEICVBRQFO-AWEZNQCLSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](CC[NH2+]C1CC1)C[C@@H]1Cc2ccccc2S1 ZINC000092262988 180355003 /nfs/dbraw/zinc/35/50/03/180355003.db2.gz HURHDEICVBRQFO-AWEZNQCLSA-N 2 2 262.422 2.387 10 0 CEAELP Cc1[nH+]cc(C[NH3+])n1C[C@H]1Cc2ccccc2S1 ZINC000092271963 180356396 /nfs/dbraw/zinc/35/63/96/180356396.db2.gz PHDZAPDUMNTGSJ-CYBMUJFWSA-N 2 2 259.378 2.367 10 0 CEAELP c1cn(CC[NH2+]C[C@H]2CSc3ccccc32)c[nH+]1 ZINC000092275065 180356801 /nfs/dbraw/zinc/35/68/01/180356801.db2.gz ITTBEVFJFXFZCF-LBPRGKRZSA-N 2 2 259.378 2.362 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300147 180358840 /nfs/dbraw/zinc/35/88/40/180358840.db2.gz MTADMULGFDIFLX-CHWSQXEVSA-N 2 2 257.337 2.037 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)n1 ZINC000092366712 180369131 /nfs/dbraw/zinc/36/91/31/180369131.db2.gz FAWXFOGNXQLMQP-CLYYMRHHSA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)n1 ZINC000092366712 180369132 /nfs/dbraw/zinc/36/91/32/180369132.db2.gz FAWXFOGNXQLMQP-CLYYMRHHSA-N 2 2 251.761 2.189 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417405 180381125 /nfs/dbraw/zinc/38/11/25/180381125.db2.gz IZYNYOYNTWYKJS-GXFFZTMASA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417405 180381126 /nfs/dbraw/zinc/38/11/26/180381126.db2.gz IZYNYOYNTWYKJS-GXFFZTMASA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417401 180381183 /nfs/dbraw/zinc/38/11/83/180381183.db2.gz IZYNYOYNTWYKJS-ZWNOBZJWSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417401 180381185 /nfs/dbraw/zinc/38/11/85/180381185.db2.gz IZYNYOYNTWYKJS-ZWNOBZJWSA-N 2 2 265.788 2.165 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)CC1CCCC1 ZINC000110832416 186329009 /nfs/dbraw/zinc/32/90/09/186329009.db2.gz BATBPFXVHRWESF-CABCVRRESA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)CC1CCCC1 ZINC000110832416 186329010 /nfs/dbraw/zinc/32/90/10/186329010.db2.gz BATBPFXVHRWESF-CABCVRRESA-N 2 2 264.417 2.321 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110935976 186334418 /nfs/dbraw/zinc/33/44/18/186334418.db2.gz TZYHQJKGGCWFEG-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110935976 186334420 /nfs/dbraw/zinc/33/44/20/186334420.db2.gz TZYHQJKGGCWFEG-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000110936315 186334938 /nfs/dbraw/zinc/33/49/38/186334938.db2.gz UOXZHIFDDARKRX-INIZCTEOSA-N 2 2 275.396 2.219 10 0 CEAELP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000110936315 186334939 /nfs/dbraw/zinc/33/49/39/186334939.db2.gz UOXZHIFDDARKRX-INIZCTEOSA-N 2 2 275.396 2.219 10 0 CEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977885 186339544 /nfs/dbraw/zinc/33/95/44/186339544.db2.gz XUCAXNJQJYXKPS-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977885 186339546 /nfs/dbraw/zinc/33/95/46/186339546.db2.gz XUCAXNJQJYXKPS-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCN1C ZINC000110751126 186321977 /nfs/dbraw/zinc/32/19/77/186321977.db2.gz NCQJPIMUXUHREL-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCN1C ZINC000110751126 186321978 /nfs/dbraw/zinc/32/19/78/186321978.db2.gz NCQJPIMUXUHREL-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154406 186360752 /nfs/dbraw/zinc/36/07/52/186360752.db2.gz UKZNCLFGKQCVRV-YCPHGPKFSA-N 2 2 262.397 2.433 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154406 186360753 /nfs/dbraw/zinc/36/07/53/186360753.db2.gz UKZNCLFGKQCVRV-YCPHGPKFSA-N 2 2 262.397 2.433 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CC1CCOCC1 ZINC000111155731 186362944 /nfs/dbraw/zinc/36/29/44/186362944.db2.gz XAWOAFSTUMTNPT-HZPDHXFCSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CC1CCOCC1 ZINC000111155731 186362945 /nfs/dbraw/zinc/36/29/45/186362945.db2.gz XAWOAFSTUMTNPT-HZPDHXFCSA-N 2 2 277.412 2.218 10 0 CEAELP CCOCC[N@H+](CC)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117969 186354451 /nfs/dbraw/zinc/35/44/51/186354451.db2.gz KBXVHXKEHHVCRV-QGZVFWFLSA-N 2 2 294.439 2.314 10 0 CEAELP CCOCC[N@@H+](CC)[C@@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117969 186354452 /nfs/dbraw/zinc/35/44/52/186354452.db2.gz KBXVHXKEHHVCRV-QGZVFWFLSA-N 2 2 294.439 2.314 10 0 CEAELP CC(=O)c1ccccc1OCC[N@@H+](C)CCC[NH+](C)C ZINC000111139936 186357690 /nfs/dbraw/zinc/35/76/90/186357690.db2.gz WIOYUGBATAYKTJ-UHFFFAOYSA-N 2 2 278.396 2.152 10 0 CEAELP CC(=O)c1ccccc1OCC[N@H+](C)CCC[NH+](C)C ZINC000111139936 186357691 /nfs/dbraw/zinc/35/76/91/186357691.db2.gz WIOYUGBATAYKTJ-UHFFFAOYSA-N 2 2 278.396 2.152 10 0 CEAELP CCCOc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143851 186359201 /nfs/dbraw/zinc/35/92/01/186359201.db2.gz JTTHYDPZVXCSGJ-KRWDZBQOSA-N 2 2 294.439 2.392 10 0 CEAELP CCCOc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143851 186359202 /nfs/dbraw/zinc/35/92/02/186359202.db2.gz JTTHYDPZVXCSGJ-KRWDZBQOSA-N 2 2 294.439 2.392 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154620 186360349 /nfs/dbraw/zinc/36/03/49/186360349.db2.gz BCSQAZUBAGCSNV-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154620 186360350 /nfs/dbraw/zinc/36/03/50/186360350.db2.gz BCSQAZUBAGCSNV-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174962 186364650 /nfs/dbraw/zinc/36/46/50/186364650.db2.gz VHBNQEUPNVSPAM-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174962 186364651 /nfs/dbraw/zinc/36/46/51/186364651.db2.gz VHBNQEUPNVSPAM-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP [NH3+]C[C@@H]([C@H]1CCCOC1)[NH+]1CCC2(CCCC2)CC1 ZINC000111321274 186397821 /nfs/dbraw/zinc/39/78/21/186397821.db2.gz DNMMEBDBHHPMAL-GJZGRUSLSA-N 2 2 266.429 2.397 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccsc1 ZINC000111239108 186374533 /nfs/dbraw/zinc/37/45/33/186374533.db2.gz ARYJOADBJYDMEL-CYBMUJFWSA-N 2 2 254.399 2.106 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@H](C[NH3+])c1ccsc1 ZINC000111239108 186374534 /nfs/dbraw/zinc/37/45/34/186374534.db2.gz ARYJOADBJYDMEL-CYBMUJFWSA-N 2 2 254.399 2.106 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111238862 186375091 /nfs/dbraw/zinc/37/50/91/186375091.db2.gz WVFZJEOEVWHPIC-AWEZNQCLSA-N 2 2 254.349 2.184 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111238862 186375093 /nfs/dbraw/zinc/37/50/93/186375093.db2.gz WVFZJEOEVWHPIC-AWEZNQCLSA-N 2 2 254.349 2.184 10 0 CEAELP COc1ccc[nH+]c1N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094702 351616716 /nfs/dbraw/zinc/61/67/16/351616716.db2.gz WTESIOPYKUYKRU-VHSXEESVSA-N 2 2 289.301 2.054 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000122108899 187015511 /nfs/dbraw/zinc/01/55/11/187015511.db2.gz WIHSPOVZECBNOT-GXTWGEPZSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000122108899 187015512 /nfs/dbraw/zinc/01/55/12/187015512.db2.gz WIHSPOVZECBNOT-GXTWGEPZSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000178303303 189105068 /nfs/dbraw/zinc/10/50/68/189105068.db2.gz HGKAXQDBGZNKPR-ZDUSSCGKSA-N 2 2 287.367 2.117 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000178303303 189105069 /nfs/dbraw/zinc/10/50/69/189105069.db2.gz HGKAXQDBGZNKPR-ZDUSSCGKSA-N 2 2 287.367 2.117 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519714 189123299 /nfs/dbraw/zinc/12/32/99/189123299.db2.gz WELLKGATXMBSOM-JSGCOSHPSA-N 2 2 268.426 2.246 10 0 CEAELP C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180649585 189268335 /nfs/dbraw/zinc/26/83/35/189268335.db2.gz NAHOSVAIMNLNGT-CYBMUJFWSA-N 2 2 298.390 2.144 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000182134167 189314914 /nfs/dbraw/zinc/31/49/14/189314914.db2.gz BSPRTPQVRLIWMQ-HUUCEWRRSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000182134167 189314915 /nfs/dbraw/zinc/31/49/15/189314915.db2.gz BSPRTPQVRLIWMQ-HUUCEWRRSA-N 2 2 288.395 2.481 10 0 CEAELP CCC[C@@H](C(=O)NCCCCNc1cccc[nH+]1)[NH+](C)C ZINC000162019220 367131152 /nfs/dbraw/zinc/13/11/52/367131152.db2.gz ADVXSTGHNGCJOZ-AWEZNQCLSA-N 2 2 292.427 2.120 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)n2c1 ZINC000245711093 370861854 /nfs/dbraw/zinc/86/18/54/370861854.db2.gz GBBPTGHFBDFNTO-HUUCEWRRSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)n2c1 ZINC000245711093 370861860 /nfs/dbraw/zinc/86/18/60/370861860.db2.gz GBBPTGHFBDFNTO-HUUCEWRRSA-N 2 2 284.407 2.311 10 0 CEAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840068 367580374 /nfs/dbraw/zinc/58/03/74/367580374.db2.gz PEVHTGUSNFQCLK-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@@H]1C[NH3+] ZINC000631840068 367580375 /nfs/dbraw/zinc/58/03/75/367580375.db2.gz PEVHTGUSNFQCLK-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836623 367574853 /nfs/dbraw/zinc/57/48/53/367574853.db2.gz CSBZNTCMPDCUEM-KOLCDFICSA-N 2 2 273.302 2.127 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836623 367574859 /nfs/dbraw/zinc/57/48/59/367574859.db2.gz CSBZNTCMPDCUEM-KOLCDFICSA-N 2 2 273.302 2.127 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247060045 371058104 /nfs/dbraw/zinc/05/81/04/371058104.db2.gz WCALIYAFFLMKNT-ZIAGYGMSSA-N 2 2 293.411 2.424 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247060045 371058109 /nfs/dbraw/zinc/05/81/09/371058109.db2.gz WCALIYAFFLMKNT-ZIAGYGMSSA-N 2 2 293.411 2.424 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565451 371649982 /nfs/dbraw/zinc/64/99/82/371649982.db2.gz YKMRMOGBYMHCLP-CYZMBNFOSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565451 371649988 /nfs/dbraw/zinc/64/99/88/371649988.db2.gz YKMRMOGBYMHCLP-CYZMBNFOSA-N 2 2 296.212 2.013 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008055 371797770 /nfs/dbraw/zinc/79/77/70/371797770.db2.gz MBZVZABWUSOAFG-DOMZBBRYSA-N 2 2 260.381 2.254 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008055 371797777 /nfs/dbraw/zinc/79/77/77/371797777.db2.gz MBZVZABWUSOAFG-DOMZBBRYSA-N 2 2 260.381 2.254 10 0 CEAELP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262013127 371799014 /nfs/dbraw/zinc/79/90/14/371799014.db2.gz VRPRWMIGNGJUGR-NUEKZKHPSA-N 2 2 296.361 2.212 10 0 CEAELP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000262644739 371891425 /nfs/dbraw/zinc/89/14/25/371891425.db2.gz MXCGVKGNHJKMTD-NWDGAFQWSA-N 2 2 270.336 2.143 10 0 CEAELP CC(C)n1cc[nH+]c1CN1[C@H](C)[C@H](C)CC[C@@H]1C[NH3+] ZINC000641810202 372758957 /nfs/dbraw/zinc/75/89/57/372758957.db2.gz UTSQDCPPBXIPGU-MGPQQGTHSA-N 2 2 264.417 2.412 10 0 CEAELP CC1([NH3+])CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000643028833 372920449 /nfs/dbraw/zinc/92/04/49/372920449.db2.gz YTHRWNLECVHLLC-UHFFFAOYSA-N 2 2 259.275 2.418 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000382045958 375183154 /nfs/dbraw/zinc/18/31/54/375183154.db2.gz VODLJHZUDZMAHQ-UKRRQHHQSA-N 2 2 253.349 2.423 10 0 CEAELP C[C@@H](CN(C)c1cc(C(F)(F)F)cc[nH+]1)C(N)=[NH2+] ZINC000090802765 184617730 /nfs/dbraw/zinc/61/77/30/184617730.db2.gz CDEOQZWPPMHBCM-ZETCQYMHSA-N 2 2 260.263 2.109 10 0 CEAELP c1[nH+]cn(C2CC2)c1[C@H]1OCCC[C@@H]1C[NH2+]C1CC1 ZINC000092887302 184633420 /nfs/dbraw/zinc/63/34/20/184633420.db2.gz DLVLAHBSKHYGQK-ABAIWWIYSA-N 2 2 261.369 2.438 10 0 CEAELP CSC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903859 130037172 /nfs/dbraw/zinc/03/71/72/130037172.db2.gz WSDWWSRDAZTRSS-IUODEOHRSA-N 2 2 291.420 2.247 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cocn3)C2)[nH+]1 ZINC000191939262 130334175 /nfs/dbraw/zinc/33/41/75/130334175.db2.gz ZRVHUOUGAVPOFC-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cocn3)C2)[nH+]1 ZINC000191939262 130334178 /nfs/dbraw/zinc/33/41/78/130334178.db2.gz ZRVHUOUGAVPOFC-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP CCc1cc(N2CCCC[C@@H]2C[NH2+]C2CC2)nc(C)[nH+]1 ZINC000088760879 135057151 /nfs/dbraw/zinc/05/71/51/135057151.db2.gz VTHKLIVZUDVHNR-OAHLLOKOSA-N 2 2 274.412 2.458 10 0 CEAELP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000070143162 394585526 /nfs/dbraw/zinc/58/55/26/394585526.db2.gz BODIDELRLRIECX-LLVKDONJSA-N 2 2 262.357 2.238 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090323001 394655042 /nfs/dbraw/zinc/65/50/42/394655042.db2.gz RGKYLCUXWRTPCQ-OKILXGFUSA-N 2 2 253.349 2.199 10 0 CEAELP COc1ccc(Br)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398276110 395232512 /nfs/dbraw/zinc/23/25/12/395232512.db2.gz AXZIKGXFKQVLOQ-SNVBAGLBSA-N 2 2 299.212 2.157 10 0 CEAELP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384427461 395193757 /nfs/dbraw/zinc/19/37/57/395193757.db2.gz DMLSVNXABDJBNF-KFWWJZLASA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384427461 395193760 /nfs/dbraw/zinc/19/37/60/395193760.db2.gz DMLSVNXABDJBNF-KFWWJZLASA-N 2 2 254.418 2.002 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553587 395216186 /nfs/dbraw/zinc/21/61/86/395216186.db2.gz PUICNQCOHVQZQU-SCRDCRAPSA-N 2 2 276.380 2.249 10 0 CEAELP CSCCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683263 165077279 /nfs/dbraw/zinc/07/72/79/165077279.db2.gz MIABPWDJRUIYHB-UHFFFAOYSA-N 2 2 296.484 2.032 10 0 CEAELP CSCCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000173683263 165077284 /nfs/dbraw/zinc/07/72/84/165077284.db2.gz MIABPWDJRUIYHB-UHFFFAOYSA-N 2 2 296.484 2.032 10 0 CEAELP CSCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178308215 165235397 /nfs/dbraw/zinc/23/53/97/165235397.db2.gz NNXLWYGMSOADIU-CYBMUJFWSA-N 2 2 253.415 2.409 10 0 CEAELP CSCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178308215 165235400 /nfs/dbraw/zinc/23/54/00/165235400.db2.gz NNXLWYGMSOADIU-CYBMUJFWSA-N 2 2 253.415 2.409 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000180131224 165302161 /nfs/dbraw/zinc/30/21/61/165302161.db2.gz DZKDBXCUHSWJMA-HNNXBMFYSA-N 2 2 261.369 2.003 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000180131224 165302166 /nfs/dbraw/zinc/30/21/66/165302166.db2.gz DZKDBXCUHSWJMA-HNNXBMFYSA-N 2 2 261.369 2.003 10 0 CEAELP Cc1oncc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181712489 165352756 /nfs/dbraw/zinc/35/27/56/165352756.db2.gz WRBRWNRSKGMNHY-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1oncc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000181712489 165352759 /nfs/dbraw/zinc/35/27/59/165352759.db2.gz WRBRWNRSKGMNHY-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP C[N@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226437 171091491 /nfs/dbraw/zinc/09/14/91/171091491.db2.gz OURZLXJNIPSRPA-GFCCVEGCSA-N 2 2 264.369 2.393 10 0 CEAELP C[N@@H+](CC(C)(C)C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226437 171091494 /nfs/dbraw/zinc/09/14/94/171091494.db2.gz OURZLXJNIPSRPA-GFCCVEGCSA-N 2 2 264.369 2.393 10 0 CEAELP [NH3+][C@@H](CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000020273983 171130879 /nfs/dbraw/zinc/13/08/79/171130879.db2.gz DAOCCUAIYMYOLG-ZDUSSCGKSA-N 2 2 299.212 2.171 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000037174484 173008831 /nfs/dbraw/zinc/00/88/31/173008831.db2.gz VYPMANZPBUAJPD-TZMCWYRMSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000037174484 173008832 /nfs/dbraw/zinc/00/88/32/173008832.db2.gz VYPMANZPBUAJPD-TZMCWYRMSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1ncsc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000037249484 173062388 /nfs/dbraw/zinc/06/23/88/173062388.db2.gz ATGRBOLBXPOHEJ-JTQLQIEISA-N 2 2 250.371 2.389 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)CCc2ccncc2)[nH+]1 ZINC000040509536 174304148 /nfs/dbraw/zinc/30/41/48/174304148.db2.gz MKHANSXRPUPMAW-UHFFFAOYSA-N 2 2 270.380 2.231 10 0 CEAELP CCC[NH+]1CCC([N@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747488 174392599 /nfs/dbraw/zinc/39/25/99/174392599.db2.gz IDIZFDGIGPIASH-FKEKPDDDSA-N 3 2 279.472 2.466 10 0 CEAELP CCC[NH+]1CCC([N@@H+](CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747488 174392600 /nfs/dbraw/zinc/39/26/00/174392600.db2.gz IDIZFDGIGPIASH-FKEKPDDDSA-N 3 2 279.472 2.466 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCOc3ccccc32)n1C ZINC000657288392 414833360 /nfs/dbraw/zinc/83/33/60/414833360.db2.gz AFYAQGKYUSDPAY-CQSZACIVSA-N 2 2 257.337 2.342 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCCOC)CCOC ZINC000043335997 175012071 /nfs/dbraw/zinc/01/20/71/175012071.db2.gz KTSAHNWWLKCUCD-DZGCQCFKSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCCOC)CCOC ZINC000043335997 175012073 /nfs/dbraw/zinc/01/20/73/175012073.db2.gz KTSAHNWWLKCUCD-DZGCQCFKSA-N 2 2 284.400 2.043 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347078 175017334 /nfs/dbraw/zinc/01/73/34/175017334.db2.gz GQLMYMVAWNWVFO-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347078 175017335 /nfs/dbraw/zinc/01/73/35/175017335.db2.gz GQLMYMVAWNWVFO-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043354413 175021820 /nfs/dbraw/zinc/02/18/20/175021820.db2.gz QNRYHBPCKKVHHQ-DLBZAZTESA-N 3 2 290.455 2.134 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@@H](C[NH3+])c1ccncc1 ZINC000043354725 175022612 /nfs/dbraw/zinc/02/26/12/175022612.db2.gz XBVKTZDHDZVQSK-HNNXBMFYSA-N 2 2 265.401 2.218 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccncc1 ZINC000043354725 175022613 /nfs/dbraw/zinc/02/26/13/175022613.db2.gz XBVKTZDHDZVQSK-HNNXBMFYSA-N 2 2 265.401 2.218 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364574 175025766 /nfs/dbraw/zinc/02/57/66/175025766.db2.gz RFKZRUJECSQEGH-SWLSCSKDSA-N 2 2 266.385 2.477 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394416 175034954 /nfs/dbraw/zinc/03/49/54/175034954.db2.gz LHMKNRMERAVGII-HNNXBMFYSA-N 2 2 250.386 2.272 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394416 175034956 /nfs/dbraw/zinc/03/49/56/175034956.db2.gz LHMKNRMERAVGII-HNNXBMFYSA-N 2 2 250.386 2.272 10 0 CEAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1 ZINC000043394191 175035118 /nfs/dbraw/zinc/03/51/18/175035118.db2.gz MOQPAOFPUAJJRA-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)c1 ZINC000043394191 175035120 /nfs/dbraw/zinc/03/51/20/175035120.db2.gz MOQPAOFPUAJJRA-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884039 175116427 /nfs/dbraw/zinc/11/64/27/175116427.db2.gz PWLOGUKLHURVJH-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884039 175116429 /nfs/dbraw/zinc/11/64/29/175116429.db2.gz PWLOGUKLHURVJH-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897815 175120411 /nfs/dbraw/zinc/12/04/11/175120411.db2.gz XMYCCVFHEJTVOC-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897815 175120413 /nfs/dbraw/zinc/12/04/13/175120413.db2.gz XMYCCVFHEJTVOC-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@H+](C)CCOC ZINC000043915447 175124867 /nfs/dbraw/zinc/12/48/67/175124867.db2.gz VHTZYKWLISNYGT-HIFRSBDPSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)[N@@H+](C)CCOC ZINC000043915447 175124868 /nfs/dbraw/zinc/12/48/68/175124868.db2.gz VHTZYKWLISNYGT-HIFRSBDPSA-N 2 2 250.386 2.222 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916939 175125878 /nfs/dbraw/zinc/12/58/78/175125878.db2.gz JMPMZWVBERGFMW-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916939 175125879 /nfs/dbraw/zinc/12/58/79/175125879.db2.gz JMPMZWVBERGFMW-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H]1CCC[C@@H](C)C1)OCCO2 ZINC000043968369 175129410 /nfs/dbraw/zinc/12/94/10/175129410.db2.gz IHBOMPDIUFPBQR-LVQVYYBASA-N 2 2 296.455 2.381 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H]1CCC[C@@H](C)C1)OCCO2 ZINC000043968369 175129411 /nfs/dbraw/zinc/12/94/11/175129411.db2.gz IHBOMPDIUFPBQR-LVQVYYBASA-N 2 2 296.455 2.381 10 0 CEAELP CCC[NH2+][C@H](C)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970825 175131858 /nfs/dbraw/zinc/13/18/58/175131858.db2.gz LKKMXHZRHDQXET-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)[C@@H]([NH3+])[C@H]([NH3+])c1ccc(Br)cc1 ZINC000044138936 175146355 /nfs/dbraw/zinc/14/63/55/175146355.db2.gz FKHCYVRBONTCAI-GHMZBOCLSA-N 2 2 257.175 2.432 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c1C ZINC000045169629 175320577 /nfs/dbraw/zinc/32/05/77/175320577.db2.gz WIFYXWDTMOIFDP-LLVKDONJSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1C ZINC000045172148 175321910 /nfs/dbraw/zinc/32/19/10/175321910.db2.gz LFOAMOBFKJAJPJ-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1C ZINC000045172148 175321911 /nfs/dbraw/zinc/32/19/11/175321911.db2.gz LFOAMOBFKJAJPJ-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1C ZINC000045172154 175322000 /nfs/dbraw/zinc/32/20/00/175322000.db2.gz LFOAMOBFKJAJPJ-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1C ZINC000045172154 175322001 /nfs/dbraw/zinc/32/20/01/175322001.db2.gz LFOAMOBFKJAJPJ-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367925 175363101 /nfs/dbraw/zinc/36/31/01/175363101.db2.gz OZKWUKFUELNNIT-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367925 175363102 /nfs/dbraw/zinc/36/31/02/175363102.db2.gz OZKWUKFUELNNIT-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)[NH2+]C ZINC000045367773 175363227 /nfs/dbraw/zinc/36/32/27/175363227.db2.gz SXZAIVBUJVPABL-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)[NH2+]C ZINC000045367773 175363228 /nfs/dbraw/zinc/36/32/28/175363228.db2.gz SXZAIVBUJVPABL-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C ZINC000045374792 175365778 /nfs/dbraw/zinc/36/57/78/175365778.db2.gz KVUAHBLLDDCLGX-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CC[C@]1(C)C[C@@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000070988089 176018618 /nfs/dbraw/zinc/01/86/18/176018618.db2.gz HKRQUDITXLDAAI-RRFJBIMHSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1OCCc2ccccc21 ZINC000071099242 176033004 /nfs/dbraw/zinc/03/30/04/176033004.db2.gz JPUCSVTXMAMGGX-DOMZBBRYSA-N 2 2 271.364 2.087 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000071142623 176039869 /nfs/dbraw/zinc/03/98/69/176039869.db2.gz LGVDPWIOSZOAJK-NSHDSACASA-N 2 2 254.761 2.087 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000071142623 176039870 /nfs/dbraw/zinc/03/98/70/176039870.db2.gz LGVDPWIOSZOAJK-NSHDSACASA-N 2 2 254.761 2.087 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)C1CCOCC1 ZINC000071161686 176046703 /nfs/dbraw/zinc/04/67/03/176046703.db2.gz FGZNLRHKZCDTSK-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000071161686 176046704 /nfs/dbraw/zinc/04/67/04/176046704.db2.gz FGZNLRHKZCDTSK-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@H+](C[C@H]1CC[NH+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070654 /nfs/dbraw/zinc/07/06/54/176070654.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070655 /nfs/dbraw/zinc/07/06/55/176070655.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C[C@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070656 /nfs/dbraw/zinc/07/06/56/176070656.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070658 /nfs/dbraw/zinc/07/06/58/176070658.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 3 2 269.477 2.284 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191896 176071781 /nfs/dbraw/zinc/07/17/81/176071781.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191896 176071783 /nfs/dbraw/zinc/07/17/83/176071783.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191896 176071784 /nfs/dbraw/zinc/07/17/84/176071784.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191896 176071785 /nfs/dbraw/zinc/07/17/85/176071785.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC1(C)CN(Cc2cn3ccccc3[nH+]2)C(C)(C)C[NH2+]1 ZINC000071343083 176131108 /nfs/dbraw/zinc/13/11/08/176131108.db2.gz UAGDDMSNIGZHMO-UHFFFAOYSA-N 2 2 272.396 2.297 10 0 CEAELP C[NH2+][C@H](C)C[NH2+]Cc1csc(Br)c1 ZINC000398011306 270355571 /nfs/dbraw/zinc/35/55/71/270355571.db2.gz SSZDIPDXWFCDIU-SSDOTTSWSA-N 2 2 263.204 2.208 10 0 CEAELP Cc1[nH+]c(-c2ccccc2)nc(N2CC[NH2+]CC2)c1C ZINC000035768946 274835573 /nfs/dbraw/zinc/83/55/73/274835573.db2.gz DRDLRPRVFRKUOT-UHFFFAOYSA-N 2 2 268.364 2.170 10 0 CEAELP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158771727 289240333 /nfs/dbraw/zinc/24/03/33/289240333.db2.gz UREVRSFVLQSCEG-HOTGVXAUSA-N 2 2 291.439 2.359 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476114 519749502 /nfs/dbraw/zinc/74/95/02/519749502.db2.gz QJSXBYXEHNEXDE-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCOC[C@@H]1C ZINC000052476114 519749503 /nfs/dbraw/zinc/74/95/03/519749503.db2.gz QJSXBYXEHNEXDE-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239628 521043620 /nfs/dbraw/zinc/04/36/20/521043620.db2.gz FOTWTYSWPSFUNM-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239628 521043629 /nfs/dbraw/zinc/04/36/29/521043629.db2.gz FOTWTYSWPSFUNM-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@H+]1CCOCCOC ZINC000068704530 521690257 /nfs/dbraw/zinc/69/02/57/521690257.db2.gz XQXHEUFKLGVWPQ-OAHLLOKOSA-N 2 2 286.460 2.138 10 0 CEAELP COCC[C@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052810802 521951015 /nfs/dbraw/zinc/95/10/15/521951015.db2.gz XPQRCWQZPRKWDA-ZDUSSCGKSA-N 2 2 256.777 2.136 10 0 CEAELP COCC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052810802 521951026 /nfs/dbraw/zinc/95/10/26/521951026.db2.gz XPQRCWQZPRKWDA-ZDUSSCGKSA-N 2 2 256.777 2.136 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000052540237 518764542 /nfs/dbraw/zinc/76/45/42/518764542.db2.gz AIAZIULMVFWTKQ-GJZGRUSLSA-N 2 2 293.411 2.316 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)on1 ZINC000052540237 518764545 /nfs/dbraw/zinc/76/45/45/518764545.db2.gz AIAZIULMVFWTKQ-GJZGRUSLSA-N 2 2 293.411 2.316 10 0 CEAELP CC(=O)Nc1ccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195314 519717778 /nfs/dbraw/zinc/71/77/78/519717778.db2.gz UGSAPSGUUMSYRX-INIZCTEOSA-N 2 2 277.412 2.321 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382351 519747894 /nfs/dbraw/zinc/74/78/94/519747894.db2.gz XQGCWCHYAGFTOA-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382351 519747895 /nfs/dbraw/zinc/74/78/95/519747895.db2.gz XQGCWCHYAGFTOA-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@@H+]2CCCN(C)CC2)c1 ZINC000052424292 519748506 /nfs/dbraw/zinc/74/85/06/519748506.db2.gz HVLNLJZDOQAIQR-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CC(C)C[NH2+]Cc1coc(C[N@H+]2CCCN(C)CC2)c1 ZINC000052424292 519748508 /nfs/dbraw/zinc/74/85/08/519748508.db2.gz HVLNLJZDOQAIQR-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049555485 519776059 /nfs/dbraw/zinc/77/60/59/519776059.db2.gz IENZHONZQZGUBZ-KKUMJFAQSA-N 2 2 256.434 2.246 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049312469 519814378 /nfs/dbraw/zinc/81/43/78/519814378.db2.gz FVMCHJWYTKLTHY-NSHDSACASA-N 2 2 270.339 2.131 10 0 CEAELP CCC1CCC(C[NH3+])([N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000050089624 519850461 /nfs/dbraw/zinc/85/04/61/519850461.db2.gz URUCUZDOVNTDSJ-UHFFFAOYSA-N 2 2 283.460 2.131 10 0 CEAELP CCC1CCC(C[NH3+])([N@@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000050089624 519850464 /nfs/dbraw/zinc/85/04/64/519850464.db2.gz URUCUZDOVNTDSJ-UHFFFAOYSA-N 2 2 283.460 2.131 10 0 CEAELP CCCC1CC[NH+](CCC[C@@](C)([NH2+]C)C(=O)OC)CC1 ZINC000050905771 519901073 /nfs/dbraw/zinc/90/10/73/519901073.db2.gz YEKXNPZOROJWHB-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC[NH+](C)C ZINC000054602551 519910168 /nfs/dbraw/zinc/91/01/68/519910168.db2.gz VBCSFIILXDHWSD-MQVJKMGUSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC[NH+](C)C ZINC000054602551 519910171 /nfs/dbraw/zinc/91/01/71/519910171.db2.gz VBCSFIILXDHWSD-MQVJKMGUSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423687 519943711 /nfs/dbraw/zinc/94/37/11/519943711.db2.gz OSUUBYNVMLDGMT-OAHLLOKOSA-N 2 2 291.439 2.063 10 0 CEAELP CC[NH2+]Cc1oc2ccccc2c1C[NH+]1CCOCC1 ZINC000052377782 520031123 /nfs/dbraw/zinc/03/11/23/520031123.db2.gz XEVRQWKEYQZEGT-UHFFFAOYSA-N 2 2 274.364 2.375 10 0 CEAELP CCC[NH2+][C@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068641968 520112504 /nfs/dbraw/zinc/11/25/04/520112504.db2.gz LOLZMQKLYYXBNK-CXAGYDPISA-N 2 2 289.423 2.024 10 0 CEAELP CCCNc1cc(CCC)[nH+]c(N2CC[NH+](C)CC2)n1 ZINC000050850339 520137283 /nfs/dbraw/zinc/13/72/83/520137283.db2.gz OTWZEYYRKFOAMQ-UHFFFAOYSA-N 2 2 277.416 2.003 10 0 CEAELP CC[NH2+][C@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(N)=O ZINC000068648773 520237373 /nfs/dbraw/zinc/23/73/73/520237373.db2.gz NTRIBPMURVQKRN-BDJLRTHQSA-N 2 2 288.395 2.149 10 0 CEAELP CC1(C)COCC[N@@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052546082 520507659 /nfs/dbraw/zinc/50/76/59/520507659.db2.gz LSKXUFJOSLGGGP-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC1(C)COCC[N@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052546082 520507666 /nfs/dbraw/zinc/50/76/66/520507666.db2.gz LSKXUFJOSLGGGP-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237355 520965376 /nfs/dbraw/zinc/96/53/76/520965376.db2.gz OPODDBOWRSUTAK-INIZCTEOSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237355 520965383 /nfs/dbraw/zinc/96/53/83/520965383.db2.gz OPODDBOWRSUTAK-INIZCTEOSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069237328 520967458 /nfs/dbraw/zinc/96/74/58/520967458.db2.gz SJRBBEUEDAQOAD-AWEZNQCLSA-N 2 2 276.380 2.190 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069237328 520967466 /nfs/dbraw/zinc/96/74/66/520967466.db2.gz SJRBBEUEDAQOAD-AWEZNQCLSA-N 2 2 276.380 2.190 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@@H+]1CCOCCOC ZINC000068704530 521690251 /nfs/dbraw/zinc/69/02/51/521690251.db2.gz XQXHEUFKLGVWPQ-OAHLLOKOSA-N 2 2 286.460 2.138 10 0 CEAELP CCCN(c1cc[nH+]c(C)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054936804 521697979 /nfs/dbraw/zinc/69/79/79/521697979.db2.gz ZHMQRGVCAJZRAR-PBWFPOADSA-N 2 2 260.385 2.284 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCCOC)CCOC ZINC000052203802 521929593 /nfs/dbraw/zinc/92/95/93/521929593.db2.gz YVAXDWMEWCBXDX-QGZVFWFLSA-N 2 2 294.439 2.234 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCCOC)CCOC ZINC000052203802 521929597 /nfs/dbraw/zinc/92/95/97/521929597.db2.gz YVAXDWMEWCBXDX-QGZVFWFLSA-N 2 2 294.439 2.234 10 0 CEAELP C[NH2+]C[C@@H]1CC[C@H](Cn2c[nH+]c3cc(C)c(C)cc32)O1 ZINC000052575695 522061505 /nfs/dbraw/zinc/06/15/05/522061505.db2.gz PGSHLTXCDWIBDM-UONOGXRCSA-N 2 2 273.380 2.420 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011438 522090937 /nfs/dbraw/zinc/09/09/37/522090937.db2.gz ASQDCCLRMTVOOF-QGZVFWFLSA-N 3 2 287.451 2.192 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011438 522090945 /nfs/dbraw/zinc/09/09/45/522090945.db2.gz ASQDCCLRMTVOOF-QGZVFWFLSA-N 3 2 287.451 2.192 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000062803073 522337863 /nfs/dbraw/zinc/33/78/63/522337863.db2.gz GLPLFGAUULLYSC-ZDUSSCGKSA-N 3 2 288.395 2.232 10 0 CEAELP CN(C)c1nc(N(CCC[NH3+])c2cccc(F)c2)cc[nH+]1 ZINC000068689994 522360806 /nfs/dbraw/zinc/36/08/06/522360806.db2.gz CRIHZXQAUYQWHQ-UHFFFAOYSA-N 2 2 289.358 2.169 10 0 CEAELP CN(C)c1[nH+]cccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050944407 522375341 /nfs/dbraw/zinc/37/53/41/522375341.db2.gz WYJWCMATUREWNU-GFCCVEGCSA-N 2 2 276.384 2.008 10 0 CEAELP CCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]C(C)C)C(=O)OC ZINC000068649436 522595106 /nfs/dbraw/zinc/59/51/06/522595106.db2.gz TZCHNGFFMODYAA-DOMZBBRYSA-N 2 2 281.400 2.326 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570736 523345775 /nfs/dbraw/zinc/34/57/75/523345775.db2.gz IORBOYVXKHWAHS-QEJZJMRPSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570736 523345784 /nfs/dbraw/zinc/34/57/84/523345784.db2.gz IORBOYVXKHWAHS-QEJZJMRPSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571051 523516537 /nfs/dbraw/zinc/51/65/37/523516537.db2.gz ZUZDWXQIIPBKFR-VXGBXAGGSA-N 2 2 252.358 2.046 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571051 523516544 /nfs/dbraw/zinc/51/65/44/523516544.db2.gz ZUZDWXQIIPBKFR-VXGBXAGGSA-N 2 2 252.358 2.046 10 0 CEAELP C[N@H+]([C@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015141 523625852 /nfs/dbraw/zinc/62/58/52/523625852.db2.gz WBOKBKRPCQMEHZ-MRXNPFEDSA-N 3 2 261.413 2.103 10 0 CEAELP C[N@@H+]([C@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015141 523625859 /nfs/dbraw/zinc/62/58/59/523625859.db2.gz WBOKBKRPCQMEHZ-MRXNPFEDSA-N 3 2 261.413 2.103 10 0 CEAELP CC[C@@]1(C[NH2+]Cc2nc(C)cs2)CCC[NH2+]C1 ZINC000062862670 523735218 /nfs/dbraw/zinc/73/52/18/523735218.db2.gz WIHLVRHSSYQDPL-CYBMUJFWSA-N 2 2 253.415 2.321 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624989 523782851 /nfs/dbraw/zinc/78/28/51/523782851.db2.gz YYAGZWULYWMQCN-INIZCTEOSA-N 2 2 262.397 2.057 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624989 523782855 /nfs/dbraw/zinc/78/28/55/523782855.db2.gz YYAGZWULYWMQCN-INIZCTEOSA-N 2 2 262.397 2.057 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757302 524106824 /nfs/dbraw/zinc/10/68/24/524106824.db2.gz CBCHKVVYMLHBKM-FRFSOERESA-N 2 2 292.423 2.320 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757302 524106830 /nfs/dbraw/zinc/10/68/30/524106830.db2.gz CBCHKVVYMLHBKM-FRFSOERESA-N 2 2 292.423 2.320 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419961 524191743 /nfs/dbraw/zinc/19/17/43/524191743.db2.gz VMONYTHLOBWNPE-CYBMUJFWSA-N 3 2 255.450 2.179 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419961 524191749 /nfs/dbraw/zinc/19/17/49/524191749.db2.gz VMONYTHLOBWNPE-CYBMUJFWSA-N 3 2 255.450 2.179 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(F)c1F ZINC000062802883 524836433 /nfs/dbraw/zinc/83/64/33/524836433.db2.gz ITQPUYUWFFCMRP-VIFPVBQESA-N 2 2 251.280 2.099 10 0 CEAELP Cc1ccc(N(C)CC[N@@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000061275764 524886084 /nfs/dbraw/zinc/88/60/84/524886084.db2.gz DUEVXAPXDBEUCS-UHFFFAOYSA-N 2 2 261.413 2.035 10 0 CEAELP Cc1ccc(N(C)CC[N@H+]2CCC[NH2+]CC2)c(C)c1 ZINC000061275764 524886087 /nfs/dbraw/zinc/88/60/87/524886087.db2.gz DUEVXAPXDBEUCS-UHFFFAOYSA-N 2 2 261.413 2.035 10 0 CEAELP C[C@@H]1C[NH+](Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@@H](C)O1 ZINC000052380500 524984377 /nfs/dbraw/zinc/98/43/77/524984377.db2.gz BYAJFUBJUHECMX-VXGBXAGGSA-N 2 2 281.400 2.172 10 0 CEAELP c1c2[nH]c(CC[C@@H]3CCCC[NH2+]3)[nH+]c2cc2c1OCCO2 ZINC000050926743 526403332 /nfs/dbraw/zinc/40/33/32/526403332.db2.gz YPMOZAUNSCKTET-NSHDSACASA-N 2 2 287.363 2.409 10 0 CEAELP Cc1oc(C[NH+]2CCOCC2)cc1C[NH2+]C(C)(C)C ZINC000052377772 526771438 /nfs/dbraw/zinc/77/14/38/526771438.db2.gz GNBMROOVLZAOMR-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Br)cc1 ZINC000052304159 527198431 /nfs/dbraw/zinc/19/84/31/527198431.db2.gz GDSDEUJGNUZKSE-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP CCC(CC)(C[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000037746563 534936233 /nfs/dbraw/zinc/93/62/33/534936233.db2.gz SYLFUBRCJIRJSY-UHFFFAOYSA-N 2 2 279.403 2.465 10 0 CEAELP c1c2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2cc2c1OCCCO2 ZINC000034939116 361799134 /nfs/dbraw/zinc/79/91/34/361799134.db2.gz ITUASSGQQTVFIY-SNVBAGLBSA-N 2 2 273.336 2.191 10 0 CEAELP [NH3+]C[C@@H]([NH3+])c1cc(Br)cc(OC(F)(F)F)c1 ZINC000044473215 362153396 /nfs/dbraw/zinc/15/33/96/362153396.db2.gz KCLKLSPFHYGKTC-MRVPVSSYSA-N 2 2 299.090 2.306 10 0 CEAELP COC(=O)[C@@H]([NH3+])Cc1ccc(-c2cc[nH+]c(C)c2C)cc1 ZINC000114054483 344278827 /nfs/dbraw/zinc/27/88/27/344278827.db2.gz KHONQNXQXZDOFB-INIZCTEOSA-N 2 2 284.359 2.408 10 0 CEAELP Cc1cccnc1C[NH+](CCC[NH3+])Cc1ncccc1C ZINC000117972567 344290478 /nfs/dbraw/zinc/29/04/78/344290478.db2.gz XENIHYJCRAVDHB-UHFFFAOYSA-N 2 2 284.407 2.444 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130259 344576965 /nfs/dbraw/zinc/57/69/65/344576965.db2.gz TXBFKDYLLPIJQB-JKSUJKDBSA-N 2 2 270.461 2.494 10 0 CEAELP Cc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307024360 344719508 /nfs/dbraw/zinc/71/95/08/344719508.db2.gz IMOJNQLFCJVQFJ-CQSZACIVSA-N 2 2 283.379 2.054 10 0 CEAELP Cc1c(N)[nH+]cnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307024360 344719509 /nfs/dbraw/zinc/71/95/09/344719509.db2.gz IMOJNQLFCJVQFJ-CQSZACIVSA-N 2 2 283.379 2.054 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)C[C@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC000054307348 362525532 /nfs/dbraw/zinc/52/55/32/362525532.db2.gz QBRIEWOGOFUOEN-LLVKDONJSA-N 2 2 272.352 2.200 10 0 CEAELP [NH3+]CC1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000060048946 362655971 /nfs/dbraw/zinc/65/59/71/362655971.db2.gz HCZXJGWHGXGUQR-UHFFFAOYSA-N 2 2 259.275 2.276 10 0 CEAELP Cc1ccc([N@H+](C)CCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303381 179011440 /nfs/dbraw/zinc/01/14/40/179011440.db2.gz VVDRECKNEJTGLZ-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP Cc1ccc([N@@H+](C)CCCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303381 179011442 /nfs/dbraw/zinc/01/14/42/179011442.db2.gz VVDRECKNEJTGLZ-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000085363950 179035147 /nfs/dbraw/zinc/03/51/47/179035147.db2.gz QINMMGMGRFVWFI-NEPJUHHUSA-N 2 2 272.352 2.327 10 0 CEAELP CC[C@]1(C)C[NH2+][C@H](C(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085467887 179073648 /nfs/dbraw/zinc/07/36/48/179073648.db2.gz NHMPYYLJXSXNRW-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@]1(C)C[NH2+][C@H](C(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085467887 179073650 /nfs/dbraw/zinc/07/36/50/179073650.db2.gz NHMPYYLJXSXNRW-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@@H]1C[NH2+][C@H](CC)CN1CCCn1cc[nH+]c1 ZINC000085472540 179077357 /nfs/dbraw/zinc/07/73/57/179077357.db2.gz IJORBALVNYMIQS-HUUCEWRRSA-N 2 2 264.417 2.126 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085497630 179083868 /nfs/dbraw/zinc/08/38/68/179083868.db2.gz KPSXDAZKJWNAHG-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085497630 179083869 /nfs/dbraw/zinc/08/38/69/179083869.db2.gz KPSXDAZKJWNAHG-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618981 179105253 /nfs/dbraw/zinc/10/52/53/179105253.db2.gz UGWAJZPRCVCTIA-SZMVWBNQSA-N 2 2 288.435 2.318 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085618981 179105254 /nfs/dbraw/zinc/10/52/54/179105254.db2.gz UGWAJZPRCVCTIA-SZMVWBNQSA-N 2 2 288.435 2.318 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000085622708 179105684 /nfs/dbraw/zinc/10/56/84/179105684.db2.gz PVKREVCBGRCUAP-CYBMUJFWSA-N 2 2 272.396 2.297 10 0 CEAELP C[C@@H]1CC[NH2+]C(C)(C)C[N@H+]1Cc1cn2ccccc2n1 ZINC000085622708 179105686 /nfs/dbraw/zinc/10/56/86/179105686.db2.gz PVKREVCBGRCUAP-CYBMUJFWSA-N 2 2 272.396 2.297 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](C)C2CC2)C12CCCC2 ZINC000085681239 179114336 /nfs/dbraw/zinc/11/43/36/179114336.db2.gz HSEFVRZUWGLDSB-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CC2)C12CCCC2 ZINC000085681239 179114338 /nfs/dbraw/zinc/11/43/38/179114338.db2.gz HSEFVRZUWGLDSB-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1cc(Br)ccc1F ZINC000085797881 179172609 /nfs/dbraw/zinc/17/26/09/179172609.db2.gz LFSDVUYRAIZSKH-SNVBAGLBSA-N 2 2 275.165 2.020 10 0 CEAELP C[NH2+][C@H](Cc1cc(F)ccc1Br)C[NH+](C)C ZINC000085798780 179172685 /nfs/dbraw/zinc/17/26/85/179172685.db2.gz ZMACMTGFWKDLCT-LLVKDONJSA-N 2 2 289.192 2.280 10 0 CEAELP CC[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086091903 179229033 /nfs/dbraw/zinc/22/90/33/179229033.db2.gz VEOUUEDAOYHTHJ-DYEKYZERSA-N 2 2 264.417 2.400 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174366 179245602 /nfs/dbraw/zinc/24/56/02/179245602.db2.gz FLPBHLWQBGVHBA-XQLPTFJDSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C(C)C)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174366 179245604 /nfs/dbraw/zinc/24/56/04/179245604.db2.gz FLPBHLWQBGVHBA-XQLPTFJDSA-N 2 2 254.418 2.262 10 0 CEAELP COC[C@H](C)[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086179895 179246610 /nfs/dbraw/zinc/24/66/10/179246610.db2.gz CJMVNMIPMZJNRO-NWANDNLSSA-N 2 2 254.418 2.120 10 0 CEAELP COC[C@H](C)[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086179895 179246612 /nfs/dbraw/zinc/24/66/12/179246612.db2.gz CJMVNMIPMZJNRO-NWANDNLSSA-N 2 2 254.418 2.120 10 0 CEAELP CCC[N@@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317395 179270125 /nfs/dbraw/zinc/27/01/25/179270125.db2.gz XCTRIMXTUYHFCA-SJORKVTESA-N 2 2 285.391 2.345 10 0 CEAELP CCC[N@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317395 179270129 /nfs/dbraw/zinc/27/01/29/179270129.db2.gz XCTRIMXTUYHFCA-SJORKVTESA-N 2 2 285.391 2.345 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837157 179351532 /nfs/dbraw/zinc/35/15/32/179351532.db2.gz AIUBWRADBQHKIV-OAHLLOKOSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837157 179351533 /nfs/dbraw/zinc/35/15/33/179351533.db2.gz AIUBWRADBQHKIV-OAHLLOKOSA-N 3 2 264.417 2.126 10 0 CEAELP CCC[N@@H+]1CCC[C@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851710 179359733 /nfs/dbraw/zinc/35/97/33/179359733.db2.gz IDCLFRAUGJZHOG-OAHLLOKOSA-N 2 2 297.468 2.470 10 0 CEAELP CCC[N@H+]1CCC[C@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851710 179359735 /nfs/dbraw/zinc/35/97/35/179359735.db2.gz IDCLFRAUGJZHOG-OAHLLOKOSA-N 2 2 297.468 2.470 10 0 CEAELP Cc1c[nH+]c(N)c([C@@]2(O)CCC[N@@H+](C(C)C)CC2)c1 ZINC000086867657 179360805 /nfs/dbraw/zinc/36/08/05/179360805.db2.gz SLGCQCZEPDBTSF-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP Cc1c[nH+]c(N)c([C@@]2(O)CCC[N@H+](C(C)C)CC2)c1 ZINC000086867657 179360808 /nfs/dbraw/zinc/36/08/08/179360808.db2.gz SLGCQCZEPDBTSF-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874875 179364813 /nfs/dbraw/zinc/36/48/13/179364813.db2.gz KHZNFAXJDUWXSJ-OAHLLOKOSA-N 2 2 266.360 2.156 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874875 179364815 /nfs/dbraw/zinc/36/48/15/179364815.db2.gz KHZNFAXJDUWXSJ-OAHLLOKOSA-N 2 2 266.360 2.156 10 0 CEAELP CC(C)[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947835 179369040 /nfs/dbraw/zinc/36/90/40/179369040.db2.gz TZKRDXJIHZFPJQ-HUUCEWRRSA-N 2 2 254.418 2.252 10 0 CEAELP Nc1cc([C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616644069 348545476 /nfs/dbraw/zinc/54/54/76/348545476.db2.gz GQYKIUXNFSBQFF-OAHLLOKOSA-N 2 2 269.348 2.068 10 0 CEAELP Nc1cc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616644069 348545477 /nfs/dbraw/zinc/54/54/77/348545477.db2.gz GQYKIUXNFSBQFF-OAHLLOKOSA-N 2 2 269.348 2.068 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922301 187399366 /nfs/dbraw/zinc/39/93/66/187399366.db2.gz STOMTOODRCHJHU-HUUCEWRRSA-N 3 2 255.450 2.085 10 0 CEAELP C[C@H]1CC[NH2+]C[C@@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000090695702 180025823 /nfs/dbraw/zinc/02/58/23/180025823.db2.gz HRIQQSVDTSLNPG-ONGXEEELSA-N 2 2 250.308 2.259 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@H]1[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090695699 180026202 /nfs/dbraw/zinc/02/62/02/180026202.db2.gz NQJGXWBVCWXGMI-OUAUKWLOSA-N 2 2 250.308 2.259 10 0 CEAELP C[C@@H]1CC[NH2+]C[C@H]1[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000090695699 180026203 /nfs/dbraw/zinc/02/62/03/180026203.db2.gz NQJGXWBVCWXGMI-OUAUKWLOSA-N 2 2 250.308 2.259 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895275 180056082 /nfs/dbraw/zinc/05/60/82/180056082.db2.gz SVWHDPUUDZXXHU-UONOGXRCSA-N 2 2 289.354 2.306 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)C[NH+]1CCCC1)O2 ZINC000090897625 180057210 /nfs/dbraw/zinc/05/72/10/180057210.db2.gz STMFCZJGWWKMKK-ZBFHGGJFSA-N 2 2 274.408 2.372 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907527 180062029 /nfs/dbraw/zinc/06/20/29/180062029.db2.gz ZGOPNFXEEYDZOA-ZNMIVQPWSA-N 2 2 252.402 2.018 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907527 180062030 /nfs/dbraw/zinc/06/20/30/180062030.db2.gz ZGOPNFXEEYDZOA-ZNMIVQPWSA-N 2 2 252.402 2.018 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016170 180087280 /nfs/dbraw/zinc/08/72/80/180087280.db2.gz VUEVBLUOEPUJSG-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016170 180087282 /nfs/dbraw/zinc/08/72/82/180087282.db2.gz VUEVBLUOEPUJSG-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017514 180087292 /nfs/dbraw/zinc/08/72/92/180087292.db2.gz BEUGVEPYUHBELC-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017514 180087294 /nfs/dbraw/zinc/08/72/94/180087294.db2.gz BEUGVEPYUHBELC-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000091318368 180133685 /nfs/dbraw/zinc/13/36/85/180133685.db2.gz CFZXNNNYBTZNND-CQSZACIVSA-N 2 2 297.830 2.014 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091318368 180133686 /nfs/dbraw/zinc/13/36/86/180133686.db2.gz CFZXNNNYBTZNND-CQSZACIVSA-N 2 2 297.830 2.014 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275411 180119223 /nfs/dbraw/zinc/11/92/23/180119223.db2.gz LYPBRZUEHHYODU-WFASDCNBSA-N 2 2 262.401 2.210 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275411 180119226 /nfs/dbraw/zinc/11/92/26/180119226.db2.gz LYPBRZUEHHYODU-WFASDCNBSA-N 2 2 262.401 2.210 10 0 CEAELP CC[N@@H+]1CCC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275380 180119240 /nfs/dbraw/zinc/11/92/40/180119240.db2.gz JSQACQOTVGIHKH-SWLSCSKDSA-N 2 2 262.401 2.210 10 0 CEAELP CC[N@H+]1CCC[C@@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275380 180119242 /nfs/dbraw/zinc/11/92/42/180119242.db2.gz JSQACQOTVGIHKH-SWLSCSKDSA-N 2 2 262.401 2.210 10 0 CEAELP CCN(Cc1ccncc1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276388 180119687 /nfs/dbraw/zinc/11/96/87/180119687.db2.gz LTOHROUFSZNIHM-OAHLLOKOSA-N 2 2 285.395 2.135 10 0 CEAELP CC(C)N(CC1CC1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276426 180119760 /nfs/dbraw/zinc/11/97/60/180119760.db2.gz LTRCXDWROKFVKB-CQSZACIVSA-N 2 2 262.401 2.338 10 0 CEAELP CCCCCN(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276237 180120488 /nfs/dbraw/zinc/12/04/88/180120488.db2.gz CIBNTJLMQYOKHO-ZDUSSCGKSA-N 2 2 250.390 2.340 10 0 CEAELP CC(C)[NH2+]Cc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278257 180121070 /nfs/dbraw/zinc/12/10/70/180121070.db2.gz XPTMUGHAYZNCSS-UHFFFAOYSA-N 2 2 259.353 2.497 10 0 CEAELP CC[NH2+]Cc1cccc(OC)c1OCc1c[nH+]cn1C ZINC000091278336 180121435 /nfs/dbraw/zinc/12/14/35/180121435.db2.gz QJBCIOUYGYBJQG-UHFFFAOYSA-N 2 2 275.352 2.117 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)[N@H+](C)CC1CC(O)C1 ZINC000091450861 180159040 /nfs/dbraw/zinc/15/90/40/180159040.db2.gz JOUOJFUBRJUGDU-BLMDWJLWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091450861 180159041 /nfs/dbraw/zinc/15/90/41/180159041.db2.gz JOUOJFUBRJUGDU-BLMDWJLWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[N@H+](C)CC1CC(O)C1 ZINC000091451286 180159223 /nfs/dbraw/zinc/15/92/23/180159223.db2.gz RWKQDSBYUHVWLL-XZQMRNSJSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091451286 180159224 /nfs/dbraw/zinc/15/92/24/180159224.db2.gz RWKQDSBYUHVWLL-XZQMRNSJSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091463327 180162287 /nfs/dbraw/zinc/16/22/87/180162287.db2.gz BJPXITPDADFXBS-TVGUXLQWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091463327 180162290 /nfs/dbraw/zinc/16/22/90/180162290.db2.gz BJPXITPDADFXBS-TVGUXLQWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)[N@H+](C)CC1CC(O)C1 ZINC000091464208 180163042 /nfs/dbraw/zinc/16/30/42/180163042.db2.gz SJWKHCYPBDMPTG-BNICSPFPSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091464208 180163045 /nfs/dbraw/zinc/16/30/45/180163045.db2.gz SJWKHCYPBDMPTG-BNICSPFPSA-N 2 2 276.424 2.476 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC000091405165 180147057 /nfs/dbraw/zinc/14/70/57/180147057.db2.gz JQVPFYUKSGRDGX-CQSZACIVSA-N 3 2 257.466 2.284 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC000091405165 180147058 /nfs/dbraw/zinc/14/70/58/180147058.db2.gz JQVPFYUKSGRDGX-CQSZACIVSA-N 3 2 257.466 2.284 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@@H](O)C(C)(C)[NH+]1CCCCC1 ZINC000091563946 180192562 /nfs/dbraw/zinc/19/25/62/180192562.db2.gz TWJMBNJKJOZERD-CYBMUJFWSA-N 2 2 263.385 2.270 10 0 CEAELP CCn1cc(C[C@H]([NH2+]C)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564790 180193427 /nfs/dbraw/zinc/19/34/27/180193427.db2.gz LXVUATOKZKFTJH-HNNXBMFYSA-N 2 2 278.444 2.298 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](NC)c1c[nH+]ccc1N ZINC000091599375 180202639 /nfs/dbraw/zinc/20/26/39/180202639.db2.gz MPVIFXRUOOVBCO-CABCVRRESA-N 2 2 264.417 2.435 10 0 CEAELP Cc1nn(C)c(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533700 180181463 /nfs/dbraw/zinc/18/14/63/180181463.db2.gz OICXFGFKSALRQK-LBPRGKRZSA-N 2 2 284.835 2.126 10 0 CEAELP C[NH2+][C@@H](Cc1csc(C)n1)C(C)(C)[NH+]1CCCC1 ZINC000091534676 180182272 /nfs/dbraw/zinc/18/22/72/180182272.db2.gz OCNXRLPMYUOAPA-ZDUSSCGKSA-N 2 2 267.442 2.456 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCC1 ZINC000091637959 180212443 /nfs/dbraw/zinc/21/24/43/180212443.db2.gz PKNLSHSFDQDXSF-HNNXBMFYSA-N 3 2 276.428 2.059 10 0 CEAELP CCc1ccccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662603 180220167 /nfs/dbraw/zinc/22/01/67/180220167.db2.gz GYWGJVHPKBHUHO-IAGOWNOFSA-N 2 2 274.408 2.202 10 0 CEAELP CCc1ccccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662603 180220170 /nfs/dbraw/zinc/22/01/70/180220170.db2.gz GYWGJVHPKBHUHO-IAGOWNOFSA-N 2 2 274.408 2.202 10 0 CEAELP CC[NH2+][C@@H](C)c1sc([C@@H]2C[N@H+](C)CCO2)nc1C ZINC000091722422 180239473 /nfs/dbraw/zinc/23/94/73/180239473.db2.gz VEIGEHNJENXWKP-ONGXEEELSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@@H](C)c1sc([C@@H]2C[N@@H+](C)CCO2)nc1C ZINC000091722422 180239475 /nfs/dbraw/zinc/23/94/75/180239475.db2.gz VEIGEHNJENXWKP-ONGXEEELSA-N 2 2 269.414 2.125 10 0 CEAELP CC[NH2+][C@H](Cc1cc(C)ccc1OC)C[NH+](C)C ZINC000091719713 180234594 /nfs/dbraw/zinc/23/45/94/180234594.db2.gz WJYJMIAHDAGVNJ-CQSZACIVSA-N 2 2 250.386 2.086 10 0 CEAELP CC[NH2+][C@H](Cc1ccc2ccccc2n1)C[NH+](C)C ZINC000091719753 180234621 /nfs/dbraw/zinc/23/46/21/180234621.db2.gz NXCGSOMPPBKZIM-OAHLLOKOSA-N 2 2 257.381 2.317 10 0 CEAELP C[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721235 180237407 /nfs/dbraw/zinc/23/74/07/180237407.db2.gz ZQQFQCODXXYBGQ-RBSFLKMASA-N 2 2 282.334 2.089 10 0 CEAELP C[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721235 180237409 /nfs/dbraw/zinc/23/74/09/180237409.db2.gz ZQQFQCODXXYBGQ-RBSFLKMASA-N 2 2 282.334 2.089 10 0 CEAELP CC[NH2+][C@H](c1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721743 180238177 /nfs/dbraw/zinc/23/81/77/180238177.db2.gz UTMLNRPCTHNWPZ-BZUAXINKSA-N 2 2 260.381 2.200 10 0 CEAELP CC[NH2+][C@H](c1ccccc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721743 180238179 /nfs/dbraw/zinc/23/81/79/180238179.db2.gz UTMLNRPCTHNWPZ-BZUAXINKSA-N 2 2 260.381 2.200 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721581 180238496 /nfs/dbraw/zinc/23/84/96/180238496.db2.gz NASLAQINNQSJFB-UHOFOFEASA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721581 180238498 /nfs/dbraw/zinc/23/84/98/180238498.db2.gz NASLAQINNQSJFB-UHOFOFEASA-N 2 2 296.361 2.479 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926347 180287334 /nfs/dbraw/zinc/28/73/34/180287334.db2.gz QKJCZZXURQAOOW-SJORKVTESA-N 2 2 285.391 2.169 10 0 CEAELP C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054426 180314002 /nfs/dbraw/zinc/31/40/02/180314002.db2.gz SEFSREZQGYWUGJ-DGCLKSJQSA-N 2 2 298.814 2.330 10 0 CEAELP C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054426 180314004 /nfs/dbraw/zinc/31/40/04/180314004.db2.gz SEFSREZQGYWUGJ-DGCLKSJQSA-N 2 2 298.814 2.330 10 0 CEAELP CC[C@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092129127 180329739 /nfs/dbraw/zinc/32/97/39/180329739.db2.gz ZACPPJNZGYSQIU-MRXNPFEDSA-N 2 2 273.380 2.431 10 0 CEAELP COc1cc(OC)cc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092083390 180320072 /nfs/dbraw/zinc/32/00/72/180320072.db2.gz ZVTJGNKCEKXMSN-MKBNYLNASA-N 2 2 278.396 2.291 10 0 CEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300444 180358714 /nfs/dbraw/zinc/35/87/14/180358714.db2.gz DULIPHATGGMBAE-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300444 180358715 /nfs/dbraw/zinc/35/87/15/180358715.db2.gz DULIPHATGGMBAE-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302579 180359243 /nfs/dbraw/zinc/35/92/43/180359243.db2.gz UGHMNCZQKGCZPC-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302579 180359245 /nfs/dbraw/zinc/35/92/45/180359245.db2.gz UGHMNCZQKGCZPC-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP NNc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000092369274 180369693 /nfs/dbraw/zinc/36/96/93/180369693.db2.gz AZZWICLTSXVGJV-CQSZACIVSA-N 2 2 268.364 2.357 10 0 CEAELP NNc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)[nH+]1 ZINC000092369274 180369695 /nfs/dbraw/zinc/36/96/95/180369695.db2.gz AZZWICLTSXVGJV-CQSZACIVSA-N 2 2 268.364 2.357 10 0 CEAELP CCCNc1cccc(CN2CCC[N@H+](C)CC2)[nH+]1 ZINC000092368183 180370346 /nfs/dbraw/zinc/37/03/46/180370346.db2.gz DJOJKCLOZDLUDH-UHFFFAOYSA-N 2 2 262.401 2.041 10 0 CEAELP CCCNc1cccc(CN2CCC[N@@H+](C)CC2)[nH+]1 ZINC000092368183 180370348 /nfs/dbraw/zinc/37/03/48/180370348.db2.gz DJOJKCLOZDLUDH-UHFFFAOYSA-N 2 2 262.401 2.041 10 0 CEAELP CCNc1cccc(CN2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000092371272 180370522 /nfs/dbraw/zinc/37/05/22/180370522.db2.gz NKRYZSQYNZVFBS-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1[N@H+](C)CCOC ZINC000092385706 180373998 /nfs/dbraw/zinc/37/39/98/180373998.db2.gz XQOFVVFOVTTYMD-DLBZAZTESA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000092385706 180373999 /nfs/dbraw/zinc/37/39/99/180373999.db2.gz XQOFVVFOVTTYMD-DLBZAZTESA-N 2 2 292.423 2.239 10 0 CEAELP COCCC[N@H+](C)[C@@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384760 180374138 /nfs/dbraw/zinc/37/41/38/180374138.db2.gz MEKPQJDZXZZRND-QGZVFWFLSA-N 2 2 292.423 2.154 10 0 CEAELP COCCC[N@@H+](C)[C@@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384760 180374140 /nfs/dbraw/zinc/37/41/40/180374140.db2.gz MEKPQJDZXZZRND-QGZVFWFLSA-N 2 2 292.423 2.154 10 0 CEAELP C[C@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000107827786 186194215 /nfs/dbraw/zinc/19/42/15/186194215.db2.gz GMUYDFTUVYCKDC-GXSJLCMTSA-N 2 2 271.320 2.113 10 0 CEAELP CCOc1cc([NH+]2CCC(C[NH+](C)C)CC2)ccc1N ZINC000111053316 186348397 /nfs/dbraw/zinc/34/83/97/186348397.db2.gz FDOWJIFRCBLMJM-UHFFFAOYSA-N 2 2 277.412 2.446 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000111043727 186347709 /nfs/dbraw/zinc/34/77/09/186347709.db2.gz RIXKBTSMLCSAFG-HNNXBMFYSA-N 2 2 267.332 2.216 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154940 186361229 /nfs/dbraw/zinc/36/12/29/186361229.db2.gz MKILUPZQWPGNAL-DYEKYZERSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154940 186361231 /nfs/dbraw/zinc/36/12/31/186361231.db2.gz MKILUPZQWPGNAL-DYEKYZERSA-N 2 2 252.358 2.026 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111155868 186361612 /nfs/dbraw/zinc/36/16/12/186361612.db2.gz FCOZQLWLSNATLR-ZFWWWQNUSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111155868 186361614 /nfs/dbraw/zinc/36/16/14/186361614.db2.gz FCOZQLWLSNATLR-ZFWWWQNUSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CC1CCOCC1 ZINC000111155728 186361623 /nfs/dbraw/zinc/36/16/23/186361623.db2.gz XAWOAFSTUMTNPT-JKSUJKDBSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CC1CCOCC1 ZINC000111155728 186361624 /nfs/dbraw/zinc/36/16/24/186361624.db2.gz XAWOAFSTUMTNPT-JKSUJKDBSA-N 2 2 277.412 2.218 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1C ZINC000111159862 186362393 /nfs/dbraw/zinc/36/23/93/186362393.db2.gz JBBZVDKEHYMORO-MRXNPFEDSA-N 2 2 292.423 2.362 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1C ZINC000111159862 186362394 /nfs/dbraw/zinc/36/23/94/186362394.db2.gz JBBZVDKEHYMORO-MRXNPFEDSA-N 2 2 292.423 2.362 10 0 CEAELP CCOCC[N@H+](CC)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118078 186355222 /nfs/dbraw/zinc/35/52/22/186355222.db2.gz AQTUJDBNXBGYFE-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)C[C@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118078 186355223 /nfs/dbraw/zinc/35/52/23/186355223.db2.gz AQTUJDBNXBGYFE-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)CCC[NH+](C)C ZINC000111150178 186359972 /nfs/dbraw/zinc/35/99/72/186359972.db2.gz RUKLIGAEZFKGCJ-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150178 186359974 /nfs/dbraw/zinc/35/99/74/186359974.db2.gz RUKLIGAEZFKGCJ-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@H]1CCCOC1 ZINC000111173852 186364600 /nfs/dbraw/zinc/36/46/00/186364600.db2.gz OPHBIGBIPFNUTJ-CQSZACIVSA-N 2 2 277.412 2.281 10 0 CEAELP C[NH2+]C[C@@]1(C[N@H+](Cc2ccco2)C2CC2)CCCOC1 ZINC000111328457 186399849 /nfs/dbraw/zinc/39/98/49/186399849.db2.gz QXPMHDLVTVHXPY-MRXNPFEDSA-N 2 2 278.396 2.260 10 0 CEAELP C[NH2+]C[C@@]1(C[N@@H+](Cc2ccco2)C2CC2)CCCOC1 ZINC000111328457 186399850 /nfs/dbraw/zinc/39/98/50/186399850.db2.gz QXPMHDLVTVHXPY-MRXNPFEDSA-N 2 2 278.396 2.260 10 0 CEAELP C[NH2+]C[C@]1(C[N@H+](Cc2ccco2)C2CC2)CCCOC1 ZINC000111328455 186399896 /nfs/dbraw/zinc/39/98/96/186399896.db2.gz QXPMHDLVTVHXPY-INIZCTEOSA-N 2 2 278.396 2.260 10 0 CEAELP C[NH2+]C[C@]1(C[N@@H+](Cc2ccco2)C2CC2)CCCOC1 ZINC000111328455 186399898 /nfs/dbraw/zinc/39/98/98/186399898.db2.gz QXPMHDLVTVHXPY-INIZCTEOSA-N 2 2 278.396 2.260 10 0 CEAELP CO[C@H]1C[N@H+](CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630363662 351713580 /nfs/dbraw/zinc/71/35/80/351713580.db2.gz CHVSIZRPLUZFIO-HIFRSBDPSA-N 2 2 298.427 2.356 10 0 CEAELP CO[C@H]1C[N@@H+](CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630363662 351713584 /nfs/dbraw/zinc/71/35/84/351713584.db2.gz CHVSIZRPLUZFIO-HIFRSBDPSA-N 2 2 298.427 2.356 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CCCCC[C@@H]([NH3+])C1 ZINC000630550348 351781432 /nfs/dbraw/zinc/78/14/32/351781432.db2.gz TYEPRUCAAPGZQD-GFCCVEGCSA-N 2 2 258.369 2.281 10 0 CEAELP CC[N@@H+]1CCC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000079045187 363569620 /nfs/dbraw/zinc/56/96/20/363569620.db2.gz ZEFMSEFTHPILFP-GFCCVEGCSA-N 2 2 258.369 2.470 10 0 CEAELP CC[N@H+]1CCC[C@@H](Nc2[nH+]c3ccccc3n2C)C1 ZINC000079045187 363569622 /nfs/dbraw/zinc/56/96/22/363569622.db2.gz ZEFMSEFTHPILFP-GFCCVEGCSA-N 2 2 258.369 2.470 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954146 540649125 /nfs/dbraw/zinc/64/91/25/540649125.db2.gz LMAHXKFIGJWOKP-CJNGLKHVSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685954146 540649128 /nfs/dbraw/zinc/64/91/28/540649128.db2.gz LMAHXKFIGJWOKP-CJNGLKHVSA-N 2 2 297.443 2.198 10 0 CEAELP COc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000177244998 189039146 /nfs/dbraw/zinc/03/91/46/189039146.db2.gz FXYVVWMQLCWNHO-HOCLYGCPSA-N 2 2 292.423 2.193 10 0 CEAELP Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781337 366789428 /nfs/dbraw/zinc/78/94/28/366789428.db2.gz YRLVQAJCRQFJIU-STQMWFEESA-N 2 2 278.400 2.039 10 0 CEAELP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781337 366789436 /nfs/dbraw/zinc/78/94/36/366789436.db2.gz YRLVQAJCRQFJIU-STQMWFEESA-N 2 2 278.400 2.039 10 0 CEAELP Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781648 366790196 /nfs/dbraw/zinc/79/01/96/366790196.db2.gz YRLVQAJCRQFJIU-CHWSQXEVSA-N 2 2 278.400 2.039 10 0 CEAELP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781648 366790205 /nfs/dbraw/zinc/79/02/05/366790205.db2.gz YRLVQAJCRQFJIU-CHWSQXEVSA-N 2 2 278.400 2.039 10 0 CEAELP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCOC[C@@H]1C ZINC000301873054 201244699 /nfs/dbraw/zinc/24/46/99/201244699.db2.gz JGJKSTNYANSXMH-RYUDHWBXSA-N 2 2 274.368 2.084 10 0 CEAELP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCOC[C@@H]1C ZINC000301873054 201244702 /nfs/dbraw/zinc/24/47/02/201244702.db2.gz JGJKSTNYANSXMH-RYUDHWBXSA-N 2 2 274.368 2.084 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836625 367575247 /nfs/dbraw/zinc/57/52/47/367575247.db2.gz CSBZNTCMPDCUEM-ONGXEEELSA-N 2 2 273.302 2.127 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccnc2C(F)(F)F)C[C@@H]1C[NH3+] ZINC000631836625 367575253 /nfs/dbraw/zinc/57/52/53/367575253.db2.gz CSBZNTCMPDCUEM-ONGXEEELSA-N 2 2 273.302 2.127 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000245984625 370897233 /nfs/dbraw/zinc/89/72/33/370897233.db2.gz BSPRTPQVRLIWMQ-GJZGRUSLSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000245984625 370897237 /nfs/dbraw/zinc/89/72/37/370897237.db2.gz BSPRTPQVRLIWMQ-GJZGRUSLSA-N 2 2 288.395 2.481 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000246118665 370911997 /nfs/dbraw/zinc/91/19/97/370911997.db2.gz IXBCOTXSCQUVTE-MGPQQGTHSA-N 2 2 289.427 2.265 10 0 CEAELP Cn1cccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474532 369627582 /nfs/dbraw/zinc/62/75/82/369627582.db2.gz GFENJIPHSGCBTA-QGZVFWFLSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190474532 369627584 /nfs/dbraw/zinc/62/75/84/369627584.db2.gz GFENJIPHSGCBTA-QGZVFWFLSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190474532 369627587 /nfs/dbraw/zinc/62/75/87/369627587.db2.gz GFENJIPHSGCBTA-QGZVFWFLSA-N 2 2 298.434 2.374 10 0 CEAELP Cn1cccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190474532 369627591 /nfs/dbraw/zinc/62/75/91/369627591.db2.gz GFENJIPHSGCBTA-QGZVFWFLSA-N 2 2 298.434 2.374 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000194043011 370001538 /nfs/dbraw/zinc/00/15/38/370001538.db2.gz BFSPXHYWJCMESJ-CABCVRRESA-N 2 2 261.369 2.349 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000194043011 370001546 /nfs/dbraw/zinc/00/15/46/370001546.db2.gz BFSPXHYWJCMESJ-CABCVRRESA-N 2 2 261.369 2.349 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCF)C1 ZINC000195270929 370121293 /nfs/dbraw/zinc/12/12/93/370121293.db2.gz RMMFZLQDAXFGAA-OAHLLOKOSA-N 2 2 265.376 2.195 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCF)C1 ZINC000195270929 370121296 /nfs/dbraw/zinc/12/12/96/370121296.db2.gz RMMFZLQDAXFGAA-OAHLLOKOSA-N 2 2 265.376 2.195 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCF)C1 ZINC000195270929 370121301 /nfs/dbraw/zinc/12/13/01/370121301.db2.gz RMMFZLQDAXFGAA-OAHLLOKOSA-N 2 2 265.376 2.195 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCF)C1 ZINC000195270929 370121307 /nfs/dbraw/zinc/12/13/07/370121307.db2.gz RMMFZLQDAXFGAA-OAHLLOKOSA-N 2 2 265.376 2.195 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261568204 371651733 /nfs/dbraw/zinc/65/17/33/371651733.db2.gz IZWJGLDQUHKSEN-WCFLWFBJSA-N 2 2 265.426 2.265 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261568204 371651742 /nfs/dbraw/zinc/65/17/42/371651742.db2.gz IZWJGLDQUHKSEN-WCFLWFBJSA-N 2 2 265.426 2.265 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000261980391 371788516 /nfs/dbraw/zinc/78/85/16/371788516.db2.gz JEJIPUWJPANXQU-PWSUYJOCSA-N 2 2 288.313 2.407 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000261980391 371788519 /nfs/dbraw/zinc/78/85/19/371788519.db2.gz JEJIPUWJPANXQU-PWSUYJOCSA-N 2 2 288.313 2.407 10 0 CEAELP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040464 371808689 /nfs/dbraw/zinc/80/86/89/371808689.db2.gz YGMTXTUUDONDGD-VIFPVBQESA-N 2 2 290.333 2.345 10 0 CEAELP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040464 371808693 /nfs/dbraw/zinc/80/86/93/371808693.db2.gz YGMTXTUUDONDGD-VIFPVBQESA-N 2 2 290.333 2.345 10 0 CEAELP CCCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247168111 220218949 /nfs/dbraw/zinc/21/89/49/220218949.db2.gz VEBRNBJVTUDDGP-HIFRSBDPSA-N 2 2 293.411 2.388 10 0 CEAELP CCCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247168111 220218954 /nfs/dbraw/zinc/21/89/54/220218954.db2.gz VEBRNBJVTUDDGP-HIFRSBDPSA-N 2 2 293.411 2.388 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1C ZINC000313249232 249389689 /nfs/dbraw/zinc/38/96/89/249389689.db2.gz DKELBWIWIJXBPA-NSHDSACASA-N 2 2 275.400 2.147 10 0 CEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)C(C)(C)N(CC)CC ZINC000094162935 184757024 /nfs/dbraw/zinc/75/70/24/184757024.db2.gz SABNBMHSXJPILJ-CYBMUJFWSA-N 2 2 266.433 2.061 10 0 CEAELP Brc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)ccn1 ZINC000095092454 184941717 /nfs/dbraw/zinc/94/17/17/184941717.db2.gz BLXKMHDDTAAUAU-NSHDSACASA-N 2 2 284.201 2.076 10 0 CEAELP CCc1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]1 ZINC000189916098 130039147 /nfs/dbraw/zinc/03/91/47/130039147.db2.gz YBENLFFDSWTSHY-LBPRGKRZSA-N 2 2 296.378 2.404 10 0 CEAELP C[C@H]1C[NH2+][C@H](C2CC2)CN1c1ccc([NH+](C)C)cc1 ZINC000086219021 135039918 /nfs/dbraw/zinc/03/99/18/135039918.db2.gz RDUCPYBNVNSWMO-LRDDRELGSA-N 2 2 259.397 2.329 10 0 CEAELP [NH3+]C[C@H]1CCC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089147836 135058477 /nfs/dbraw/zinc/05/84/77/135058477.db2.gz MCLVHCGBROPPBA-CZUORRHYSA-N 2 2 275.396 2.063 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090907755 135066819 /nfs/dbraw/zinc/06/68/19/135066819.db2.gz MUJOBWVNIUGJTE-OKILXGFUSA-N 2 2 275.396 2.176 10 0 CEAELP [NH3+]Cc1c(F)cccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000093395190 135080262 /nfs/dbraw/zinc/08/02/62/135080262.db2.gz QEAXFMAQIRMMLB-UHFFFAOYSA-N 2 2 286.354 2.006 10 0 CEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2cc(Cl)ccc2o1 ZINC000020376168 171171035 /nfs/dbraw/zinc/17/10/35/171171035.db2.gz IJDWAULRAHPUMG-SECBINFHSA-N 2 2 262.700 2.447 10 0 CEAELP C[NH+](C)[C@@H](C[NH3+])COc1ccccc1C(C)(C)C ZINC000020400048 171181519 /nfs/dbraw/zinc/18/15/19/171181519.db2.gz WURCJYJUKSOUPW-LBPRGKRZSA-N 2 2 250.386 2.252 10 0 CEAELP C(C[NH2+][C@@H]1C[NH+]2CCC1CC2)COC1CCCCC1 ZINC000020441831 171205414 /nfs/dbraw/zinc/20/54/14/171205414.db2.gz FKVLDHNDJXZHSR-MRXNPFEDSA-N 2 2 266.429 2.410 10 0 CEAELP COc1ccc(OC)c([C@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022045560 171350844 /nfs/dbraw/zinc/35/08/44/171350844.db2.gz UYZULWOHCQQISL-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc(OC)c([C@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC000022045560 171350845 /nfs/dbraw/zinc/35/08/45/171350845.db2.gz UYZULWOHCQQISL-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP CC(C)[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000035449765 172203936 /nfs/dbraw/zinc/20/39/36/172203936.db2.gz GGRMPADTHGZAMI-UHFFFAOYSA-N 2 2 255.325 2.018 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+](C)C)CCO2 ZINC000037213724 173034836 /nfs/dbraw/zinc/03/48/36/173034836.db2.gz MIJWEXSWOXCHSK-CQSZACIVSA-N 2 2 264.369 2.060 10 0 CEAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc[nH]n1 ZINC000038041605 174043744 /nfs/dbraw/zinc/04/37/44/174043744.db2.gz NUCOFZMDKUDUMJ-QWHCGFSZSA-N 2 2 250.390 2.182 10 0 CEAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)OCCO2 ZINC000040638741 174363078 /nfs/dbraw/zinc/36/30/78/174363078.db2.gz KINAMCBNSNQXEX-LBPRGKRZSA-N 2 2 287.363 2.085 10 0 CEAELP Cc1c(C)n([C@@H]2CCC[N@@H+](C)C2)c2nc(C)[nH+]c(N)c12 ZINC000040716086 174383422 /nfs/dbraw/zinc/38/34/22/174383422.db2.gz XERNSVIQSCOGLN-GFCCVEGCSA-N 2 2 273.384 2.205 10 0 CEAELP Cc1c(C)n([C@@H]2CCC[N@H+](C)C2)c2nc(C)[nH+]c(N)c12 ZINC000040716086 174383423 /nfs/dbraw/zinc/38/34/23/174383423.db2.gz XERNSVIQSCOGLN-GFCCVEGCSA-N 2 2 273.384 2.205 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccs2)no1 ZINC000040750268 174394636 /nfs/dbraw/zinc/39/46/36/174394636.db2.gz HTFSGKDUCIBBJM-FGWVZKOKSA-N 2 2 290.392 2.252 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cccs2)no1 ZINC000040750268 174394637 /nfs/dbraw/zinc/39/46/37/174394637.db2.gz HTFSGKDUCIBBJM-FGWVZKOKSA-N 2 2 290.392 2.252 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[NH+]1CCC(CO)CC1 ZINC000042913573 174911923 /nfs/dbraw/zinc/91/19/23/174911923.db2.gz GJNYVOOCLIYQOW-CVEARBPZSA-N 2 2 280.387 2.308 10 0 CEAELP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327203 175008788 /nfs/dbraw/zinc/00/87/88/175008788.db2.gz CSMRMIXTJYFMRS-WDEREUQCSA-N 2 2 254.324 2.237 10 0 CEAELP C[C@H](Cc1c(F)cccc1F)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043327204 175008934 /nfs/dbraw/zinc/00/89/34/175008934.db2.gz CSMRMIXTJYFMRS-GHMZBOCLSA-N 2 2 254.324 2.237 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)[C@@H]1CCSC1 ZINC000043334781 175010767 /nfs/dbraw/zinc/01/07/67/175010767.db2.gz SHEZONRLMGZJEB-NQBHXWOUSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043334781 175010768 /nfs/dbraw/zinc/01/07/68/175010768.db2.gz SHEZONRLMGZJEB-NQBHXWOUSA-N 2 2 254.399 2.495 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340421 175014430 /nfs/dbraw/zinc/01/44/30/175014430.db2.gz WBYFERQMGQXTCJ-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043340421 175014432 /nfs/dbraw/zinc/01/44/32/175014432.db2.gz WBYFERQMGQXTCJ-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043354416 175021450 /nfs/dbraw/zinc/02/14/50/175021450.db2.gz QNRYHBPCKKVHHQ-SJORKVTESA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC)[C@@H](C)COC ZINC000043354805 175022052 /nfs/dbraw/zinc/02/20/52/175022052.db2.gz XJNBPESUQILRFF-QEJZJMRPSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC)[C@@H](C)COC ZINC000043354805 175022054 /nfs/dbraw/zinc/02/20/54/175022054.db2.gz XJNBPESUQILRFF-QEJZJMRPSA-N 2 2 265.401 2.217 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)C2CCOCC2)o1 ZINC000043364461 175025881 /nfs/dbraw/zinc/02/58/81/175025881.db2.gz SLINXOBSBBQRAV-FZMZJTMJSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C2CCOCC2)o1 ZINC000043364461 175025883 /nfs/dbraw/zinc/02/58/83/175025883.db2.gz SLINXOBSBBQRAV-FZMZJTMJSA-N 2 2 252.358 2.087 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888844 175117413 /nfs/dbraw/zinc/11/74/13/175117413.db2.gz NZQMZMPOBHYVSF-SOUVJXGZSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)[C@@H](C)CC)OCCO2 ZINC000043888844 175117414 /nfs/dbraw/zinc/11/74/14/175117414.db2.gz NZQMZMPOBHYVSF-SOUVJXGZSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895596 175119225 /nfs/dbraw/zinc/11/92/25/175119225.db2.gz GZEKPLFGVMRXFH-SOUVJXGZSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895596 175119226 /nfs/dbraw/zinc/11/92/26/175119226.db2.gz GZEKPLFGVMRXFH-SOUVJXGZSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897818 175120501 /nfs/dbraw/zinc/12/05/01/175120501.db2.gz XMYCCVFHEJTVOC-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897818 175120502 /nfs/dbraw/zinc/12/05/02/175120502.db2.gz XMYCCVFHEJTVOC-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCC(CC)CC1 ZINC000043913623 175124107 /nfs/dbraw/zinc/12/41/07/175124107.db2.gz SLFIPWPWKMDSGX-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089911 415202599 /nfs/dbraw/zinc/20/25/99/415202599.db2.gz CBWSLZIUAOIXGW-AAVRWANBSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000658089911 415202606 /nfs/dbraw/zinc/20/26/06/415202606.db2.gz CBWSLZIUAOIXGW-AAVRWANBSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089912 415202803 /nfs/dbraw/zinc/20/28/03/415202803.db2.gz CBWSLZIUAOIXGW-RQJABVFESA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089912 415202809 /nfs/dbraw/zinc/20/28/09/415202809.db2.gz CBWSLZIUAOIXGW-RQJABVFESA-N 2 2 266.429 2.262 10 0 CEAELP C[C@H](C[NH2+]CCCOCC(F)(F)F)[NH+]1CCCCC1 ZINC000044992903 175286511 /nfs/dbraw/zinc/28/65/11/175286511.db2.gz KRLBKOFCINKVRQ-GFCCVEGCSA-N 2 2 282.350 2.419 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2C[C@H](C)S[C@@H](C)C2)on1 ZINC000070386223 175904764 /nfs/dbraw/zinc/90/47/64/175904764.db2.gz TTWDLJNQHQAHSJ-QWRGUYRKSA-N 2 2 269.414 2.110 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090879 176031268 /nfs/dbraw/zinc/03/12/68/176031268.db2.gz ALVYUAKJBFKMSL-DLBZAZTESA-N 2 2 276.424 2.476 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145737 176042205 /nfs/dbraw/zinc/04/22/05/176042205.db2.gz POLSMTTVEQOLEF-CYBMUJFWSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145737 176042206 /nfs/dbraw/zinc/04/22/06/176042206.db2.gz POLSMTTVEQOLEF-CYBMUJFWSA-N 2 2 286.379 2.086 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000071161850 176046673 /nfs/dbraw/zinc/04/66/73/176046673.db2.gz VMKXXHDUVCEEBP-CABCVRRESA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000071161850 176046675 /nfs/dbraw/zinc/04/66/75/176046675.db2.gz VMKXXHDUVCEEBP-CABCVRRESA-N 2 2 264.417 2.150 10 0 CEAELP COc1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197904 176076906 /nfs/dbraw/zinc/07/69/06/176076906.db2.gz NEIMPGMTSRSZJE-OAHLLOKOSA-N 2 2 260.381 2.064 10 0 CEAELP COc1ccc(CC[N@H+]2CC[C@@H]([NH2+]C3CC3)C2)cc1 ZINC000071197904 176076908 /nfs/dbraw/zinc/07/69/08/176076908.db2.gz NEIMPGMTSRSZJE-OAHLLOKOSA-N 2 2 260.381 2.064 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(F)cc2)C1 ZINC000071200223 176077179 /nfs/dbraw/zinc/07/71/79/176077179.db2.gz MDMMTSNLLJTSLB-WFASDCNBSA-N 2 2 250.361 2.441 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(F)cc2)C1 ZINC000071200223 176077180 /nfs/dbraw/zinc/07/71/80/176077180.db2.gz MDMMTSNLLJTSLB-WFASDCNBSA-N 2 2 250.361 2.441 10 0 CEAELP CCC[NH2+]Cc1cc(C)ccc1OCC[NH+]1CCOCC1 ZINC000071406308 176155951 /nfs/dbraw/zinc/15/59/51/176155951.db2.gz RHVNAOCAIOVJTG-UHFFFAOYSA-N 2 2 292.423 2.206 10 0 CEAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235332765 277074617 /nfs/dbraw/zinc/07/46/17/277074617.db2.gz DGJYYIMAYSUUPB-MLGOLLRUSA-N 2 2 275.396 2.204 10 0 CEAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000235332765 277074619 /nfs/dbraw/zinc/07/46/19/277074619.db2.gz DGJYYIMAYSUUPB-MLGOLLRUSA-N 2 2 275.396 2.204 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000396586138 280674722 /nfs/dbraw/zinc/67/47/22/280674722.db2.gz VBQSROAPZGINTP-SLEUVZQESA-N 2 2 278.396 2.495 10 0 CEAELP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000262053020 281212659 /nfs/dbraw/zinc/21/26/59/281212659.db2.gz ILHKSJSIVDJRSY-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1cccc(C)c1OCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000262053020 281212660 /nfs/dbraw/zinc/21/26/60/281212660.db2.gz ILHKSJSIVDJRSY-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252952305 289732254 /nfs/dbraw/zinc/73/22/54/289732254.db2.gz FRHULJJSKDUWIR-MROQNXINSA-N 2 2 294.361 2.464 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000578062608 314440790 /nfs/dbraw/zinc/44/07/90/314440790.db2.gz ADQPLBWDYMJZRL-HUUCEWRRSA-N 3 2 255.450 2.083 10 0 CEAELP CC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1CC)C(=O)OCC ZINC000068649464 520146426 /nfs/dbraw/zinc/14/64/26/520146426.db2.gz AJRFGZSKAVCGFS-WFASDCNBSA-N 2 2 281.400 2.328 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@@H+]2CCOCC2(C)C)c1 ZINC000052546148 519729322 /nfs/dbraw/zinc/72/93/22/519729322.db2.gz SLROSLHKPHCFMA-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@H+]2CCOCC2(C)C)c1 ZINC000052546148 519729323 /nfs/dbraw/zinc/72/93/23/519729323.db2.gz SLROSLHKPHCFMA-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]CCC(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000061290356 519918594 /nfs/dbraw/zinc/91/85/94/519918594.db2.gz QMGWUPFQAJAEPB-UHFFFAOYSA-N 2 2 292.770 2.464 10 0 CEAELP CCC[NH2+]CC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544078 519919451 /nfs/dbraw/zinc/91/94/51/519919451.db2.gz KDDAKPQTUKTEDU-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[NH2+]CC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544078 519919456 /nfs/dbraw/zinc/91/94/56/519919456.db2.gz KDDAKPQTUKTEDU-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCOC[C@@H]2CC)cc1C ZINC000052481688 520027501 /nfs/dbraw/zinc/02/75/01/520027501.db2.gz BDOLJOLFIFDJIC-ZDUSSCGKSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCOC[C@@H]2CC)cc1C ZINC000052481688 520027511 /nfs/dbraw/zinc/02/75/11/520027511.db2.gz BDOLJOLFIFDJIC-ZDUSSCGKSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017324 521566289 /nfs/dbraw/zinc/56/62/89/521566289.db2.gz GDERUCAAAOAKMC-QGZVFWFLSA-N 3 2 275.440 2.493 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017324 521566295 /nfs/dbraw/zinc/56/62/95/521566295.db2.gz GDERUCAAAOAKMC-QGZVFWFLSA-N 3 2 275.440 2.493 10 0 CEAELP C[NH2+]CC1(C[NH+]2CCN(c3nccs3)CC2)CCCC1 ZINC000051212200 521968120 /nfs/dbraw/zinc/96/81/20/521968120.db2.gz IMDKPHFECOQWKU-UHFFFAOYSA-N 2 2 294.468 2.045 10 0 CEAELP C[NH2+][C@@H](CSC)Cc1[nH+]cc(C)c(OC)c1C ZINC000054495752 522357360 /nfs/dbraw/zinc/35/73/60/522357360.db2.gz FNLWUWCLHNPPEG-LLVKDONJSA-N 2 2 254.399 2.201 10 0 CEAELP CN(C)c1[nH+]cccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050944404 522374762 /nfs/dbraw/zinc/37/47/62/522374762.db2.gz WYJWCMATUREWNU-LBPRGKRZSA-N 2 2 276.384 2.008 10 0 CEAELP C[N@H+](Cc1c2ccccc2oc1C[NH3+])C1CC[NH+](C)CC1 ZINC000052419834 523158837 /nfs/dbraw/zinc/15/88/37/523158837.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 3 2 287.407 2.418 10 0 CEAELP C[N@@H+](Cc1c2ccccc2oc1C[NH3+])C1CC[NH+](C)CC1 ZINC000052419834 523158847 /nfs/dbraw/zinc/15/88/47/523158847.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 3 2 287.407 2.418 10 0 CEAELP CCn1cc[nH+]c1Cn1nc(C)c(C[NH2+]C(C)C)c1C ZINC000054743859 523546224 /nfs/dbraw/zinc/54/62/24/523546224.db2.gz UIGTYNGKIQYROF-UHFFFAOYSA-N 2 2 275.400 2.263 10 0 CEAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2nnc(-c3ccccc3)o2)C1 ZINC000050601937 523815728 /nfs/dbraw/zinc/81/57/28/523815728.db2.gz ZYEDCMCZRIYAFA-ZDUSSCGKSA-N 2 2 286.379 2.168 10 0 CEAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2nnc(-c3ccccc3)o2)C1 ZINC000050601937 523815732 /nfs/dbraw/zinc/81/57/32/523815732.db2.gz ZYEDCMCZRIYAFA-ZDUSSCGKSA-N 2 2 286.379 2.168 10 0 CEAELP Cc1cccc(C[N@@H+](C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658097 524376715 /nfs/dbraw/zinc/37/67/15/524376715.db2.gz COMJDWOYPODCEZ-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP Cc1cccc(C[N@H+](C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658097 524376724 /nfs/dbraw/zinc/37/67/24/524376724.db2.gz COMJDWOYPODCEZ-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP C[C@H](C[C@@](C)([NH3+])C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643031 524631205 /nfs/dbraw/zinc/63/12/05/524631205.db2.gz VPGVCPQRJUHDLN-UKRRQHHQSA-N 2 2 281.444 2.014 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCC(C)CC1 ZINC000068637645 524653784 /nfs/dbraw/zinc/65/37/84/524653784.db2.gz IAQHZUXHWLRUHF-JAUTURMASA-N 2 2 295.471 2.272 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCC(C)CC1 ZINC000068637645 524653795 /nfs/dbraw/zinc/65/37/95/524653795.db2.gz IAQHZUXHWLRUHF-JAUTURMASA-N 2 2 295.471 2.272 10 0 CEAELP C[C@H]1COCC[N@@H+]1Cc1occc1C[NH2+]C(C)(C)C ZINC000052475798 524724888 /nfs/dbraw/zinc/72/48/88/524724888.db2.gz BCYJGAADOWRQHR-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1COCC[N@H+]1Cc1occc1C[NH2+]C(C)(C)C ZINC000052475798 524724895 /nfs/dbraw/zinc/72/48/95/524724895.db2.gz BCYJGAADOWRQHR-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP Cc1cc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)c(C)n1C ZINC000052790466 524769700 /nfs/dbraw/zinc/76/97/00/524769700.db2.gz HWVFKDRJIMENHE-HNNXBMFYSA-N 2 2 251.418 2.318 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCCC1 ZINC000068626997 524862524 /nfs/dbraw/zinc/86/25/24/524862524.db2.gz XPFHLXNEFSTVAA-GUYCJALGSA-N 2 2 295.471 2.416 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCCC1 ZINC000068626997 524862530 /nfs/dbraw/zinc/86/25/30/524862530.db2.gz XPFHLXNEFSTVAA-GUYCJALGSA-N 2 2 295.471 2.416 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757576 525005499 /nfs/dbraw/zinc/00/54/99/525005499.db2.gz ORSXLDSZVIORON-IOASZLSFSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757576 525005517 /nfs/dbraw/zinc/00/55/17/525005517.db2.gz ORSXLDSZVIORON-IOASZLSFSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1[nH]c(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000054821959 526890732 /nfs/dbraw/zinc/89/07/32/526890732.db2.gz QQDNQWSTHDDVAD-JTQLQIEISA-N 2 2 273.336 2.340 10 0 CEAELP Cc1[nH]c(CNc2ccc[nH+]c2N2CCCC2)c[nH+]1 ZINC000054821700 526901168 /nfs/dbraw/zinc/90/11/68/526901168.db2.gz RVXZGAWOMOYYIN-UHFFFAOYSA-N 2 2 257.341 2.325 10 0 CEAELP Cc1c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C ZINC000093649966 623682974 /nfs/dbraw/zinc/68/29/74/623682974.db2.gz QCYVAPFWMPTZEL-CQSZACIVSA-N 2 2 275.400 2.130 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1(O)CCCCC1 ZINC000178309911 627781616 /nfs/dbraw/zinc/78/16/16/627781616.db2.gz HNBMJAWIGIKRMU-OAHLLOKOSA-N 2 2 277.412 2.351 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1(O)CCCCC1 ZINC000178309911 627781619 /nfs/dbraw/zinc/78/16/19/627781619.db2.gz HNBMJAWIGIKRMU-OAHLLOKOSA-N 2 2 277.412 2.351 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129107260 651805201 /nfs/dbraw/zinc/80/52/01/651805201.db2.gz AIYKVXQDVPTBRQ-KBPBESRZSA-N 3 2 264.417 2.030 10 0 CEAELP [NH3+]CCc1ccc(Br)cc1-n1cc[nH+]c1 ZINC000082612013 178125793 /nfs/dbraw/zinc/12/57/93/178125793.db2.gz FTYYDKSTFJYRQT-UHFFFAOYSA-N 2 2 266.142 2.136 10 0 CEAELP c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096949584 185139144 /nfs/dbraw/zinc/13/91/44/185139144.db2.gz OTCREKNSLPVLFE-CVEARBPZSA-N 2 2 260.381 2.030 10 0 CEAELP c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096949584 185139146 /nfs/dbraw/zinc/13/91/46/185139146.db2.gz OTCREKNSLPVLFE-CVEARBPZSA-N 2 2 260.381 2.030 10 0 CEAELP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2cccnc2)[nH+]1 ZINC000045955135 362171784 /nfs/dbraw/zinc/17/17/84/362171784.db2.gz VUOGQBVBHNGKSY-ZDUSSCGKSA-N 2 2 269.352 2.011 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@]2(CC[NH2+]C2)C1 ZINC000082765845 539358523 /nfs/dbraw/zinc/35/85/23/539358523.db2.gz GUNFEVVOYGFOKV-INIZCTEOSA-N 2 2 253.349 2.425 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000399278045 344858141 /nfs/dbraw/zinc/85/81/41/344858141.db2.gz WPESCLMTRBMSPX-LLVKDONJSA-N 2 2 284.350 2.072 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@](C)(O)C[NH3+] ZINC000085304534 179011361 /nfs/dbraw/zinc/01/13/61/179011361.db2.gz KDSXEKGFWZTMEV-ABAIWWIYSA-N 2 2 261.369 2.260 10 0 CEAELP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000085359947 179032542 /nfs/dbraw/zinc/03/25/42/179032542.db2.gz UKFGJJJZEVTGPO-STQMWFEESA-N 2 2 284.363 2.328 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000085398047 179050564 /nfs/dbraw/zinc/05/05/64/179050564.db2.gz OJIHYDFSHAORMQ-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000085398047 179050567 /nfs/dbraw/zinc/05/05/67/179050567.db2.gz OJIHYDFSHAORMQ-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085509642 179085983 /nfs/dbraw/zinc/08/59/83/179085983.db2.gz VWBQNEJCRONINN-GUYCJALGSA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085515082 179086887 /nfs/dbraw/zinc/08/68/87/179086887.db2.gz WOESXCBCIFENQW-DLBZAZTESA-N 2 2 290.455 2.434 10 0 CEAELP CCC1(CC)C[N@H+](CCOCCOC)[C@](C)(CC)C[NH2+]1 ZINC000085520260 179088167 /nfs/dbraw/zinc/08/81/67/179088167.db2.gz HZRDIAMIHRVOGI-OAHLLOKOSA-N 2 2 286.460 2.282 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCCOC)[C@](C)(CC)C[NH2+]1 ZINC000085520260 179088168 /nfs/dbraw/zinc/08/81/68/179088168.db2.gz HZRDIAMIHRVOGI-OAHLLOKOSA-N 2 2 286.460 2.282 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498110 179082858 /nfs/dbraw/zinc/08/28/58/179082858.db2.gz KZZVPDYRWYKPQH-GJZGRUSLSA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498110 179082860 /nfs/dbraw/zinc/08/28/60/179082860.db2.gz KZZVPDYRWYKPQH-GJZGRUSLSA-N 2 2 266.429 2.266 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608724 179101470 /nfs/dbraw/zinc/10/14/70/179101470.db2.gz IYFXLZYSFZOYEW-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](Cc3ccccn3)CCC[NH2+]2)cc1 ZINC000085608724 179101473 /nfs/dbraw/zinc/10/14/73/179101473.db2.gz IYFXLZYSFZOYEW-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670712 179111031 /nfs/dbraw/zinc/11/10/31/179111031.db2.gz MRLSBNQJXAKRMQ-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670712 179111032 /nfs/dbraw/zinc/11/10/32/179111032.db2.gz MRLSBNQJXAKRMQ-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP O[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000085977527 179208615 /nfs/dbraw/zinc/20/86/15/179208615.db2.gz IWQZLOPTGVHMDB-KSZLIROESA-N 2 2 288.435 2.402 10 0 CEAELP O[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000085977527 179208616 /nfs/dbraw/zinc/20/86/16/179208616.db2.gz IWQZLOPTGVHMDB-KSZLIROESA-N 2 2 288.435 2.402 10 0 CEAELP CCC1(CC)CN(Cc2[nH+]ccn2C)[C@@H](C(C)C)C[NH2+]1 ZINC000086264874 179261045 /nfs/dbraw/zinc/26/10/45/179261045.db2.gz GJJJHUONUWTGCI-CQSZACIVSA-N 2 2 278.444 2.409 10 0 CEAELP CC(C)C[C@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264878 179261217 /nfs/dbraw/zinc/26/12/17/179261217.db2.gz XPZABXMKGFQHGG-GJZGRUSLSA-N 2 2 278.444 2.265 10 0 CEAELP COc1ccc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086269457 179261715 /nfs/dbraw/zinc/26/17/15/179261715.db2.gz QNFTXHZFASZAIN-QGZVFWFLSA-N 2 2 274.408 2.312 10 0 CEAELP COc1ccc(CC[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086269457 179261717 /nfs/dbraw/zinc/26/17/17/179261717.db2.gz QNFTXHZFASZAIN-QGZVFWFLSA-N 2 2 274.408 2.312 10 0 CEAELP C[NH+](C)CCC[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086286969 179264614 /nfs/dbraw/zinc/26/46/14/179264614.db2.gz AJQUIFUPJIQLDP-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH+](C)CCC[N@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086286969 179264616 /nfs/dbraw/zinc/26/46/16/179264616.db2.gz AJQUIFUPJIQLDP-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291533 179266055 /nfs/dbraw/zinc/26/60/55/179266055.db2.gz MFCJZMRHXRVFPM-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291533 179266057 /nfs/dbraw/zinc/26/60/57/179266057.db2.gz MFCJZMRHXRVFPM-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1cnc(C[N@@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086295527 179268333 /nfs/dbraw/zinc/26/83/33/179268333.db2.gz RIHSDJMHGJSYOZ-QGZVFWFLSA-N 2 2 282.391 2.322 10 0 CEAELP Cc1cnc(C[N@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000086295527 179268334 /nfs/dbraw/zinc/26/83/34/179268334.db2.gz RIHSDJMHGJSYOZ-QGZVFWFLSA-N 2 2 282.391 2.322 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CC[NH+](C)C1 ZINC000086776867 179328796 /nfs/dbraw/zinc/32/87/96/179328796.db2.gz QWWLQVFANSXECT-SECBINFHSA-N 2 2 259.806 2.180 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)C[C@@H]1CC[NH+](C)C1 ZINC000086776867 179328798 /nfs/dbraw/zinc/32/87/98/179328798.db2.gz QWWLQVFANSXECT-SECBINFHSA-N 2 2 259.806 2.180 10 0 CEAELP C[NH+](Cc1cnc(Cl)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000086776867 179328802 /nfs/dbraw/zinc/32/88/02/179328802.db2.gz QWWLQVFANSXECT-SECBINFHSA-N 2 2 259.806 2.180 10 0 CEAELP C[NH+](Cc1cnc(Cl)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000086776867 179328804 /nfs/dbraw/zinc/32/88/04/179328804.db2.gz QWWLQVFANSXECT-SECBINFHSA-N 2 2 259.806 2.180 10 0 CEAELP CCCc1nc([C@@]2([NH3+])CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851738 179359791 /nfs/dbraw/zinc/35/97/91/179359791.db2.gz NPHFDCKSIHMPEH-CQSZACIVSA-N 2 2 266.389 2.070 10 0 CEAELP CCCc1nc([C@@]2([NH3+])CCC[N@H+](C(C)C)CC2)no1 ZINC000086851738 179359793 /nfs/dbraw/zinc/35/97/93/179359793.db2.gz NPHFDCKSIHMPEH-CQSZACIVSA-N 2 2 266.389 2.070 10 0 CEAELP COC1CC[NH+]([C@@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890608 179366243 /nfs/dbraw/zinc/36/62/43/179366243.db2.gz RQBUOBZCUDSSAA-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CCC[C@@H]1CCC[C@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952246 179368493 /nfs/dbraw/zinc/36/84/93/179368493.db2.gz ATFRPCCYEIIOFE-CABCVRRESA-N 2 2 256.434 2.249 10 0 CEAELP C[NH+](C)CC[NH2+][C@@]1(CO)CCC[C@@H](C(C)(C)C)CC1 ZINC000086962046 179369274 /nfs/dbraw/zinc/36/92/74/179369274.db2.gz GBZOEPQYLRRFHE-ZBFHGGJFSA-N 2 2 270.461 2.495 10 0 CEAELP CCSC[C@@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000087105622 179394743 /nfs/dbraw/zinc/39/47/43/179394743.db2.gz CQUKNQFTJZWFEV-NSHDSACASA-N 2 2 254.399 2.330 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cc3ccccc3nn2)CC1 ZINC000616628514 348540545 /nfs/dbraw/zinc/54/05/45/348540545.db2.gz MIFLYYLOZICNSS-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cc3ccccc3nn2)CC1 ZINC000616628514 348540548 /nfs/dbraw/zinc/54/05/48/348540548.db2.gz MIFLYYLOZICNSS-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCCC[N@H+](CC[NH3+])C2)c1 ZINC000616605833 348532772 /nfs/dbraw/zinc/53/27/72/348532772.db2.gz WFZBZZBEFFXKSJ-MRXNPFEDSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCCC[N@@H+](CC[NH3+])C2)c1 ZINC000616605833 348532774 /nfs/dbraw/zinc/53/27/74/348532774.db2.gz WFZBZZBEFFXKSJ-MRXNPFEDSA-N 2 2 290.407 2.392 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616616090 348535231 /nfs/dbraw/zinc/53/52/31/348535231.db2.gz GAXXCLITAZUFPQ-AWEZNQCLSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616616090 348535235 /nfs/dbraw/zinc/53/52/35/348535235.db2.gz GAXXCLITAZUFPQ-AWEZNQCLSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616620752 348537296 /nfs/dbraw/zinc/53/72/96/348537296.db2.gz LDOMBLSEUIDALB-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616620752 348537298 /nfs/dbraw/zinc/53/72/98/348537298.db2.gz LDOMBLSEUIDALB-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616691033 348562023 /nfs/dbraw/zinc/56/20/23/348562023.db2.gz BXSNUGFZGUVVIN-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616691033 348562026 /nfs/dbraw/zinc/56/20/26/348562026.db2.gz BXSNUGFZGUVVIN-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP Cc1c[nH+]c(N2CC[C@@H]([NH+]3CCCCC3)C2)c(N)c1 ZINC000090691280 180024842 /nfs/dbraw/zinc/02/48/42/180024842.db2.gz SDVWSKZMPBRJKD-CYBMUJFWSA-N 2 2 260.385 2.037 10 0 CEAELP CC[C@H]([NH3+])Cc1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091005599 180084596 /nfs/dbraw/zinc/08/45/96/180084596.db2.gz WBUZYLYYRPZTOV-ZDUSSCGKSA-N 2 2 268.364 2.464 10 0 CEAELP C[C@@H]([NH3+])Cc1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091005892 180084640 /nfs/dbraw/zinc/08/46/40/180084640.db2.gz KCZKVORHAKIYKO-GFCCVEGCSA-N 2 2 254.337 2.074 10 0 CEAELP CCNC(=O)C[C@H](C[NH3+])[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316428 180133582 /nfs/dbraw/zinc/13/35/82/180133582.db2.gz YOJCDOXQDUDBKE-SMDDNHRTSA-N 2 2 297.830 2.186 10 0 CEAELP CCNC(=O)C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316428 180133584 /nfs/dbraw/zinc/13/35/84/180133584.db2.gz YOJCDOXQDUDBKE-SMDDNHRTSA-N 2 2 297.830 2.186 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000091322868 180134588 /nfs/dbraw/zinc/13/45/88/180134588.db2.gz FKUDYLVZTGNDEW-HNNXBMFYSA-N 2 2 297.487 2.330 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091273628 180117941 /nfs/dbraw/zinc/11/79/41/180117941.db2.gz MIWOIMMUMNCNIQ-HUUCEWRRSA-N 2 2 257.337 2.342 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N1CCc2ccccc2C1 ZINC000091276190 180119108 /nfs/dbraw/zinc/11/91/08/180119108.db2.gz WXIWXZPWKPFMSQ-INIZCTEOSA-N 2 2 282.391 2.276 10 0 CEAELP CCC(C)(C)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276585 180119632 /nfs/dbraw/zinc/11/96/32/180119632.db2.gz LZNXGJKCABNWKH-LBPRGKRZSA-N 2 2 250.390 2.338 10 0 CEAELP O[C@H](c1c[nH+]cn1C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000091277384 180120098 /nfs/dbraw/zinc/12/00/98/180120098.db2.gz QCUBQQYUUYPSST-JKSUJKDBSA-N 2 2 269.348 2.138 10 0 CEAELP Cn1c[nH+]cc1COc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000091278393 180120811 /nfs/dbraw/zinc/12/08/11/180120811.db2.gz DMZZNFLFHWFODV-HNNXBMFYSA-N 2 2 257.337 2.335 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CC1CC(O)C1 ZINC000091451133 180158805 /nfs/dbraw/zinc/15/88/05/180158805.db2.gz RXNSYCQNKOUTQS-UJFKTDLFSA-N 2 2 266.385 2.069 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CC1CC(O)C1 ZINC000091451133 180158807 /nfs/dbraw/zinc/15/88/07/180158807.db2.gz RXNSYCQNKOUTQS-UJFKTDLFSA-N 2 2 266.385 2.069 10 0 CEAELP C[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091564925 180193705 /nfs/dbraw/zinc/19/37/05/180193705.db2.gz UYRXEULPNMGSHZ-HNNXBMFYSA-N 3 2 276.428 2.059 10 0 CEAELP C[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568142 180195148 /nfs/dbraw/zinc/19/51/48/180195148.db2.gz PPOUGDXZIGCFNI-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@@H](c1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571888 180196192 /nfs/dbraw/zinc/19/61/92/180196192.db2.gz MDIDLHZZBFNSCS-LSDHHAIUSA-N 2 2 264.417 2.435 10 0 CEAELP CCN(CC)[C@@](C)(CC)[C@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000091599205 180202407 /nfs/dbraw/zinc/20/24/07/180202407.db2.gz CFMBWRIDKLRAKN-HOTGVXAUSA-N 2 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1c[nH+]ccc1N)NC ZINC000091599205 180202409 /nfs/dbraw/zinc/20/24/09/180202409.db2.gz CFMBWRIDKLRAKN-HOTGVXAUSA-N 2 2 278.444 2.305 10 0 CEAELP CC[C@](C)([C@H](N)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609138 180205285 /nfs/dbraw/zinc/20/52/85/180205285.db2.gz MLKXPDJOYCDVSL-HUUCEWRRSA-N 2 2 262.401 2.318 10 0 CEAELP CC[C@@](C)([C@H](N)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609137 180205961 /nfs/dbraw/zinc/20/59/61/180205961.db2.gz MLKXPDJOYCDVSL-CABCVRRESA-N 2 2 262.401 2.318 10 0 CEAELP CCC[NH2+][C@@H](c1c[nH+]ccc1N)C(C)(C)N(C)C ZINC000091529404 180180726 /nfs/dbraw/zinc/18/07/26/180180726.db2.gz KONLXDNABLJAQU-ZDUSSCGKSA-N 2 2 250.390 2.045 10 0 CEAELP C[NH2+][C@@H](c1cncc(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000091534838 180181924 /nfs/dbraw/zinc/18/19/24/180181924.db2.gz RJZUMIYGBNWGDN-ZDUSSCGKSA-N 2 2 251.349 2.356 10 0 CEAELP CCC(CC)(C(=O)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091634195 180210269 /nfs/dbraw/zinc/21/02/69/180210269.db2.gz NBDXYCDBAJIJSA-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649074 180216440 /nfs/dbraw/zinc/21/64/40/180216440.db2.gz HPUYFDJBWAQQOW-GULBITTBSA-N 3 2 290.455 2.305 10 0 CEAELP C[NH2+][C@H](c1cc(C)cc(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720914 180235930 /nfs/dbraw/zinc/23/59/30/180235930.db2.gz XAMZAOYBEHVMOX-IXDOHACOSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cc(C)cc(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720914 180235936 /nfs/dbraw/zinc/23/59/36/180235936.db2.gz XAMZAOYBEHVMOX-IXDOHACOSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721317 180239102 /nfs/dbraw/zinc/23/91/02/180239102.db2.gz XUQSUQRYLFSJLW-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721317 180239104 /nfs/dbraw/zinc/23/91/04/180239104.db2.gz XUQSUQRYLFSJLW-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP C[N@@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723966 180241641 /nfs/dbraw/zinc/24/16/41/180241641.db2.gz QUXVADIRKUWIJJ-CQSZACIVSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723966 180241643 /nfs/dbraw/zinc/24/16/43/180241643.db2.gz QUXVADIRKUWIJJ-CQSZACIVSA-N 2 2 289.404 2.272 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000091723771 180241699 /nfs/dbraw/zinc/24/16/99/180241699.db2.gz ZSENBBAGAUZZID-NSHDSACASA-N 2 2 264.417 2.257 10 0 CEAELP CCCn1c[nH+]cc1[C@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926405 180287593 /nfs/dbraw/zinc/28/75/93/180287593.db2.gz ORWJPSQSBBCNOH-BLZCZZARSA-N 2 2 265.401 2.482 10 0 CEAELP C[NH2+]C1CCC([N@H+](C)Cc2nnsc2Cl)CC1 ZINC000091873243 180278259 /nfs/dbraw/zinc/27/82/59/180278259.db2.gz XVYFVRTXHGNKKW-UHFFFAOYSA-N 2 2 274.821 2.154 10 0 CEAELP C[NH2+]C1CCC([N@@H+](C)Cc2nnsc2Cl)CC1 ZINC000091873243 180278261 /nfs/dbraw/zinc/27/82/61/180278261.db2.gz XVYFVRTXHGNKKW-UHFFFAOYSA-N 2 2 274.821 2.154 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092262892 180355155 /nfs/dbraw/zinc/35/51/55/180355155.db2.gz FHTZPEQRYBHPQY-KBPBESRZSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092262892 180355157 /nfs/dbraw/zinc/35/51/57/180355157.db2.gz FHTZPEQRYBHPQY-KBPBESRZSA-N 2 2 262.422 2.387 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300084 180358633 /nfs/dbraw/zinc/35/86/33/180358633.db2.gz BRTLVWNQDACFBJ-KBPBESRZSA-N 2 2 260.381 2.237 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1cccc(NN)[nH+]1 ZINC000092370846 180369931 /nfs/dbraw/zinc/36/99/31/180369931.db2.gz QAXQOPAARMAYHK-UHFFFAOYSA-N 2 2 253.309 2.074 10 0 CEAELP CC(C)[C@H](CO)Nc1c(C[NH3+])c[nH+]c2ccccc21 ZINC000092391524 180375113 /nfs/dbraw/zinc/37/51/13/180375113.db2.gz SHHMWZPGOPQOQF-AWEZNQCLSA-N 2 2 259.353 2.122 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](C)CCCOC)c1 ZINC000092419089 180382076 /nfs/dbraw/zinc/38/20/76/180382076.db2.gz LIOJVPAUPADCBH-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](C)CCCOC)c1 ZINC000092419089 180382077 /nfs/dbraw/zinc/38/20/77/180382077.db2.gz LIOJVPAUPADCBH-UHFFFAOYSA-N 2 2 251.374 2.372 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([N@H+](C)C1CC1)CCC2 ZINC000092384603 180373836 /nfs/dbraw/zinc/37/38/36/180373836.db2.gz POHJXKIGIPJETP-INIZCTEOSA-N 2 2 260.381 2.280 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([N@@H+](C)C1CC1)CCC2 ZINC000092384603 180373838 /nfs/dbraw/zinc/37/38/38/180373838.db2.gz POHJXKIGIPJETP-INIZCTEOSA-N 2 2 260.381 2.280 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545964 186261951 /nfs/dbraw/zinc/26/19/51/186261951.db2.gz KNICGWURTWFITR-DLBZAZTESA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545964 186261953 /nfs/dbraw/zinc/26/19/53/186261953.db2.gz KNICGWURTWFITR-DLBZAZTESA-N 2 2 274.408 2.072 10 0 CEAELP CCc1[nH+]ccn1-c1cc(C[NH3+])nc2ccccc21 ZINC000109589812 186264840 /nfs/dbraw/zinc/26/48/40/186264840.db2.gz HUZLEIKTLSSTDC-UHFFFAOYSA-N 2 2 252.321 2.442 10 0 CEAELP CCc1cc(N2CC[C@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000109319605 186247810 /nfs/dbraw/zinc/24/78/10/186247810.db2.gz MQMUVUSYOUYTFV-HNNXBMFYSA-N 2 2 297.406 2.241 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)CC1CCCC1 ZINC000110832413 186328528 /nfs/dbraw/zinc/32/85/28/186328528.db2.gz BATBPFXVHRWESF-GJZGRUSLSA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)CC1CCCC1 ZINC000110832413 186328530 /nfs/dbraw/zinc/32/85/30/186328530.db2.gz BATBPFXVHRWESF-GJZGRUSLSA-N 2 2 264.417 2.321 10 0 CEAELP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110928677 186333074 /nfs/dbraw/zinc/33/30/74/186333074.db2.gz YHSISHPECGDJHK-INIZCTEOSA-N 2 2 270.380 2.056 10 0 CEAELP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC000110928677 186333076 /nfs/dbraw/zinc/33/30/76/186333076.db2.gz YHSISHPECGDJHK-INIZCTEOSA-N 2 2 270.380 2.056 10 0 CEAELP C[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110930905 186333237 /nfs/dbraw/zinc/33/32/37/186333237.db2.gz YKAFOFPAEZMPCJ-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110930905 186333239 /nfs/dbraw/zinc/33/32/39/186333239.db2.gz YKAFOFPAEZMPCJ-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977958 186338588 /nfs/dbraw/zinc/33/85/88/186338588.db2.gz HSNFWILHLXKCJY-QGZVFWFLSA-N 3 2 293.430 2.408 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977958 186338589 /nfs/dbraw/zinc/33/85/89/186338589.db2.gz HSNFWILHLXKCJY-QGZVFWFLSA-N 3 2 293.430 2.408 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCN(C)C(C)(C)C2)cc1C ZINC000110755325 186321463 /nfs/dbraw/zinc/32/14/63/186321463.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCN(C)C(C)(C)C2)cc1C ZINC000110755325 186321465 /nfs/dbraw/zinc/32/14/65/186321465.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154802 186360501 /nfs/dbraw/zinc/36/05/01/186360501.db2.gz QZGAGPLUSZUKAG-NEPJUHHUSA-N 2 2 254.399 2.106 10 0 CEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccs1 ZINC000111154802 186360503 /nfs/dbraw/zinc/36/05/03/186360503.db2.gz QZGAGPLUSZUKAG-NEPJUHHUSA-N 2 2 254.399 2.106 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154426 186360953 /nfs/dbraw/zinc/36/09/53/186360953.db2.gz HQUHGFHPNAHALY-STQMWFEESA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154426 186360954 /nfs/dbraw/zinc/36/09/54/186360954.db2.gz HQUHGFHPNAHALY-STQMWFEESA-N 2 2 268.426 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CC1CCOCC1 ZINC000111156029 186361571 /nfs/dbraw/zinc/36/15/71/186361571.db2.gz NECANTIMDPTNJT-CVEARBPZSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CC1CCOCC1 ZINC000111156029 186361573 /nfs/dbraw/zinc/36/15/73/186361573.db2.gz NECANTIMDPTNJT-CVEARBPZSA-N 2 2 277.412 2.218 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156614 186361667 /nfs/dbraw/zinc/36/16/67/186361667.db2.gz IYMRZGGGRMPWCT-INIZCTEOSA-N 2 2 278.396 2.053 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156614 186361669 /nfs/dbraw/zinc/36/16/69/186361669.db2.gz IYMRZGGGRMPWCT-INIZCTEOSA-N 2 2 278.396 2.053 10 0 CEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111160747 186362624 /nfs/dbraw/zinc/36/26/24/186362624.db2.gz KCSNOCQQHYWDLR-CBBWQLFWSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111160747 186362625 /nfs/dbraw/zinc/36/26/25/186362625.db2.gz KCSNOCQQHYWDLR-CBBWQLFWSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111155873 186362908 /nfs/dbraw/zinc/36/29/08/186362908.db2.gz FCOZQLWLSNATLR-DZGCQCFKSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111155873 186362909 /nfs/dbraw/zinc/36/29/09/186362909.db2.gz FCOZQLWLSNATLR-DZGCQCFKSA-N 2 2 266.385 2.416 10 0 CEAELP CCOCC[N@H+](CC)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000111118219 186354317 /nfs/dbraw/zinc/35/43/17/186354317.db2.gz NOLQTRGIDWDZLG-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000111118219 186354319 /nfs/dbraw/zinc/35/43/19/186354319.db2.gz NOLQTRGIDWDZLG-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155426 186359926 /nfs/dbraw/zinc/35/99/26/186359926.db2.gz OLSBOLUZOPHLGV-KGLIPLIRSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155426 186359927 /nfs/dbraw/zinc/35/99/27/186359927.db2.gz OLSBOLUZOPHLGV-KGLIPLIRSA-N 2 2 256.434 2.497 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000111150533 186359998 /nfs/dbraw/zinc/35/99/98/186359998.db2.gz OPDDDVGCBGCIIX-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000111150533 186360000 /nfs/dbraw/zinc/36/00/00/186360000.db2.gz OPDDDVGCBGCIIX-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP COc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111239104 186374786 /nfs/dbraw/zinc/37/47/86/186374786.db2.gz RGYBTXPTFVHPDC-OAHLLOKOSA-N 2 2 278.396 2.053 10 0 CEAELP COc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111239104 186374788 /nfs/dbraw/zinc/37/47/88/186374788.db2.gz RGYBTXPTFVHPDC-OAHLLOKOSA-N 2 2 278.396 2.053 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239100 186374802 /nfs/dbraw/zinc/37/48/02/186374802.db2.gz WBKVHYZWZCDELG-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239100 186374804 /nfs/dbraw/zinc/37/48/04/186374804.db2.gz WBKVHYZWZCDELG-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3ccccc32)n1C ZINC000070142795 363034977 /nfs/dbraw/zinc/03/49/77/363034977.db2.gz PAULXYDMHNWWLQ-HNNXBMFYSA-N 2 2 270.380 2.263 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000122856760 187056106 /nfs/dbraw/zinc/05/61/06/187056106.db2.gz DVBNTDSDOLTXSM-HNNXBMFYSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000122856760 187056107 /nfs/dbraw/zinc/05/61/07/187056107.db2.gz DVBNTDSDOLTXSM-HNNXBMFYSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c[nH]nc2C)C1 ZINC000122957254 187062411 /nfs/dbraw/zinc/06/24/11/187062411.db2.gz OKQWCQCKXPKCDX-AWEZNQCLSA-N 2 2 273.384 2.314 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000122957254 187062412 /nfs/dbraw/zinc/06/24/12/187062412.db2.gz OKQWCQCKXPKCDX-AWEZNQCLSA-N 2 2 273.384 2.314 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271259 366634650 /nfs/dbraw/zinc/63/46/50/366634650.db2.gz QHZYRIFLHWIVDE-TZMCWYRMSA-N 2 2 298.377 2.462 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325392 366639384 /nfs/dbraw/zinc/63/93/84/366639384.db2.gz QTMXPIUBFOVSJS-XJKSGUPXSA-N 2 2 280.387 2.323 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC2CC2)nc[nH+]1 ZINC000180578123 189263182 /nfs/dbraw/zinc/26/31/82/189263182.db2.gz JJLWDPMJIZLJJB-TZMCWYRMSA-N 2 2 289.427 2.265 10 0 CEAELP [NH3+]C[C@@H](Oc1cccc2[nH+]ccn21)c1ccccc1 ZINC000089201243 363948338 /nfs/dbraw/zinc/94/83/38/363948338.db2.gz DMBYJYFTYFSPKF-CYBMUJFWSA-N 2 2 253.305 2.413 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000103473842 364658362 /nfs/dbraw/zinc/65/83/62/364658362.db2.gz ICBTZAHMOOWCGY-OAHLLOKOSA-N 2 2 282.391 2.453 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc1 ZINC000103473842 364658367 /nfs/dbraw/zinc/65/83/67/364658367.db2.gz ICBTZAHMOOWCGY-OAHLLOKOSA-N 2 2 282.391 2.453 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119287906 365248099 /nfs/dbraw/zinc/24/80/99/365248099.db2.gz WCALIYAFFLMKNT-KGLIPLIRSA-N 2 2 293.411 2.424 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119287906 365248103 /nfs/dbraw/zinc/24/81/03/365248103.db2.gz WCALIYAFFLMKNT-KGLIPLIRSA-N 2 2 293.411 2.424 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+]1CCOC ZINC000176922292 368255132 /nfs/dbraw/zinc/25/51/32/368255132.db2.gz DWARPCYQYBHLEB-LBPRGKRZSA-N 2 2 283.803 2.282 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1CCOC ZINC000176922292 368255134 /nfs/dbraw/zinc/25/51/34/368255134.db2.gz DWARPCYQYBHLEB-LBPRGKRZSA-N 2 2 283.803 2.282 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CC[N@H+](CC)C2CC2)C12CCOCC2 ZINC000186308382 368954220 /nfs/dbraw/zinc/95/42/20/368954220.db2.gz CMAWTSNBLZUARI-HOTGVXAUSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C12CCOCC2 ZINC000186308382 368954223 /nfs/dbraw/zinc/95/42/23/368954223.db2.gz CMAWTSNBLZUARI-HOTGVXAUSA-N 2 2 296.455 2.035 10 0 CEAELP C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000246389896 370954663 /nfs/dbraw/zinc/95/46/63/370954663.db2.gz PGDRWCBHZZOBRZ-RDJZCZTQSA-N 2 2 276.424 2.270 10 0 CEAELP C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000246389896 370954666 /nfs/dbraw/zinc/95/46/66/370954666.db2.gz PGDRWCBHZZOBRZ-RDJZCZTQSA-N 2 2 276.424 2.270 10 0 CEAELP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000247032218 371050583 /nfs/dbraw/zinc/05/05/83/371050583.db2.gz MLKQGMSKGRMWIF-MFKMUULPSA-N 2 2 275.356 2.109 10 0 CEAELP Cc1nnc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000247032218 371050595 /nfs/dbraw/zinc/05/05/95/371050595.db2.gz MLKQGMSKGRMWIF-MFKMUULPSA-N 2 2 275.356 2.109 10 0 CEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000247103938 371065277 /nfs/dbraw/zinc/06/52/77/371065277.db2.gz KSORZLTWCBFTQW-QLFBSQMISA-N 2 2 252.402 2.114 10 0 CEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000247103938 371065280 /nfs/dbraw/zinc/06/52/80/371065280.db2.gz KSORZLTWCBFTQW-QLFBSQMISA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000247103938 371065285 /nfs/dbraw/zinc/06/52/85/371065285.db2.gz KSORZLTWCBFTQW-QLFBSQMISA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000247103938 371065289 /nfs/dbraw/zinc/06/52/89/371065289.db2.gz KSORZLTWCBFTQW-QLFBSQMISA-N 2 2 252.402 2.114 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000247127513 371068218 /nfs/dbraw/zinc/06/82/18/371068218.db2.gz SARSNEDFXNIGLR-HUUCEWRRSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000247127513 371068220 /nfs/dbraw/zinc/06/82/20/371068220.db2.gz SARSNEDFXNIGLR-HUUCEWRRSA-N 2 2 263.385 2.225 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)no1 ZINC000261848992 371749566 /nfs/dbraw/zinc/74/95/66/371749566.db2.gz VCVXQQDNSDVNFF-LLVKDONJSA-N 2 2 292.770 2.171 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)no1 ZINC000261848992 371749572 /nfs/dbraw/zinc/74/95/72/371749572.db2.gz VCVXQQDNSDVNFF-LLVKDONJSA-N 2 2 292.770 2.171 10 0 CEAELP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])s2)cn1 ZINC000261819119 371741786 /nfs/dbraw/zinc/74/17/86/371741786.db2.gz IEPUNSCBWNSNNC-LBPRGKRZSA-N 2 2 276.409 2.072 10 0 CEAELP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H]3C[NH3+])s2)cn1 ZINC000261819119 371741792 /nfs/dbraw/zinc/74/17/92/371741792.db2.gz IEPUNSCBWNSNNC-LBPRGKRZSA-N 2 2 276.409 2.072 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262083994 371821536 /nfs/dbraw/zinc/82/15/36/371821536.db2.gz UBSWPNPWGPLCHG-SWLSCSKDSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262083994 371821541 /nfs/dbraw/zinc/82/15/41/371821541.db2.gz UBSWPNPWGPLCHG-SWLSCSKDSA-N 2 2 270.380 2.164 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1[NH3+] ZINC000262089366 371821944 /nfs/dbraw/zinc/82/19/44/371821944.db2.gz UROOZXNVSBRPEW-WMLDXEAASA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1[NH3+] ZINC000262089366 371821949 /nfs/dbraw/zinc/82/19/49/371821949.db2.gz UROOZXNVSBRPEW-WMLDXEAASA-N 2 2 297.402 2.440 10 0 CEAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000262631347 371888111 /nfs/dbraw/zinc/88/81/11/371888111.db2.gz FECYGEVZDLMDOH-ZWNOBZJWSA-N 2 2 272.352 2.389 10 0 CEAELP c1c[nH]c(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000374608860 374612838 /nfs/dbraw/zinc/61/28/38/374612838.db2.gz XPLTYLIEJCVBFN-BBWFWOEESA-N 2 2 296.418 2.410 10 0 CEAELP c1c[nH]c(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000374608860 374612844 /nfs/dbraw/zinc/61/28/44/374612844.db2.gz XPLTYLIEJCVBFN-BBWFWOEESA-N 2 2 296.418 2.410 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283181 375301152 /nfs/dbraw/zinc/30/11/52/375301152.db2.gz VDFCIVXBIWBCCW-DZGCQCFKSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283181 375301158 /nfs/dbraw/zinc/30/11/58/375301158.db2.gz VDFCIVXBIWBCCW-DZGCQCFKSA-N 2 2 262.397 2.310 10 0 CEAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000386729690 375265844 /nfs/dbraw/zinc/26/58/44/375265844.db2.gz AWRSZHMKZZRXCR-UHFFFAOYSA-N 2 2 276.424 2.402 10 0 CEAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CC(C)(C)O)CCC1 ZINC000386729690 375265852 /nfs/dbraw/zinc/26/58/52/375265852.db2.gz AWRSZHMKZZRXCR-UHFFFAOYSA-N 2 2 276.424 2.402 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177101925 542244269 /nfs/dbraw/zinc/24/42/69/542244269.db2.gz GKPYPDGDAADYQN-LBPRGKRZSA-N 2 2 262.382 2.313 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)s1 ZINC000177101925 542244273 /nfs/dbraw/zinc/24/42/73/542244273.db2.gz GKPYPDGDAADYQN-LBPRGKRZSA-N 2 2 262.382 2.313 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1F)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927801 184744266 /nfs/dbraw/zinc/74/42/66/184744266.db2.gz HULBGNVSDIPIAS-IRXDYDNUSA-N 2 2 294.414 2.456 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1F)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000093927801 184744267 /nfs/dbraw/zinc/74/42/67/184744267.db2.gz HULBGNVSDIPIAS-IRXDYDNUSA-N 2 2 294.414 2.456 10 0 CEAELP CCn1cc[nH+]c1C[C@H]([NH3+])c1c(F)cccc1F ZINC000094164142 184758171 /nfs/dbraw/zinc/75/81/71/184758171.db2.gz MTKYUKKVBDMKEU-NSHDSACASA-N 2 2 251.280 2.424 10 0 CEAELP CCC[NH2+]Cc1ccc(OCc2c[nH+]cn2CC)cn1 ZINC000094210096 184762697 /nfs/dbraw/zinc/76/26/97/184762697.db2.gz YDJFVNMVJZFPJF-UHFFFAOYSA-N 2 2 274.368 2.377 10 0 CEAELP C[NH+](C)CC[NH2+]CCn1ccc2c1cccc2Cl ZINC000094613158 184826477 /nfs/dbraw/zinc/82/64/77/184826477.db2.gz UNKXJYODGREFEC-UHFFFAOYSA-N 2 2 265.788 2.446 10 0 CEAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1cccc(F)c1F ZINC000094712327 184845557 /nfs/dbraw/zinc/84/55/57/184845557.db2.gz LARZGNLVTQAZJW-JTQLQIEISA-N 2 2 251.280 2.061 10 0 CEAELP C[C@H]([NH2+]CCC1OCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189886966 130035292 /nfs/dbraw/zinc/03/52/92/130035292.db2.gz FYZMAOAOZYPPIN-ZDUSSCGKSA-N 2 2 287.363 2.286 10 0 CEAELP CC(C)C[C@@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090270463 135063111 /nfs/dbraw/zinc/06/31/11/135063111.db2.gz XIBGZMXEBCMDDU-QGZVFWFLSA-N 2 2 291.439 2.437 10 0 CEAELP [NH3+]CC1([NH+]2CCN(c3cccc(Cl)c3)CC2)CCC1 ZINC000093394466 135080569 /nfs/dbraw/zinc/08/05/69/135080569.db2.gz DGULLDFAKLFGKX-UHFFFAOYSA-N 2 2 279.815 2.343 10 0 CEAELP CC1(C)CCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094309160 135085819 /nfs/dbraw/zinc/08/58/19/135085819.db2.gz SWJHRFBAEAHHAH-KRWDZBQOSA-N 2 2 288.439 2.111 10 0 CEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396567530 395216345 /nfs/dbraw/zinc/21/63/45/395216345.db2.gz MPISNEWIDGJPSQ-ZOWXZIJZSA-N 2 2 278.396 2.495 10 0 CEAELP C[NH2+]Cc1ccccc1CNc1[nH+]cccc1OC ZINC000404526188 395284250 /nfs/dbraw/zinc/28/42/50/395284250.db2.gz SWEFJLPIKIYGAL-UHFFFAOYSA-N 2 2 257.337 2.422 10 0 CEAELP c1csc([C@@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)n1 ZINC000649412012 396146497 /nfs/dbraw/zinc/14/64/97/396146497.db2.gz CELCIMCAQXPRBU-RYUDHWBXSA-N 2 2 251.399 2.280 10 0 CEAELP c1csc([C@@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)n1 ZINC000649412012 396146500 /nfs/dbraw/zinc/14/65/00/396146500.db2.gz CELCIMCAQXPRBU-RYUDHWBXSA-N 2 2 251.399 2.280 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355628 401492785 /nfs/dbraw/zinc/49/27/85/401492785.db2.gz BNIXYRLFGUFDGH-ZIAGYGMSSA-N 2 2 264.417 2.413 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355628 401492788 /nfs/dbraw/zinc/49/27/88/401492788.db2.gz BNIXYRLFGUFDGH-ZIAGYGMSSA-N 2 2 264.417 2.413 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000188412342 153055584 /nfs/dbraw/zinc/05/55/84/153055584.db2.gz ZLMAKPPBICKMHW-OAHLLOKOSA-N 2 2 299.374 2.319 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000188412342 153055587 /nfs/dbraw/zinc/05/55/87/153055587.db2.gz ZLMAKPPBICKMHW-OAHLLOKOSA-N 2 2 299.374 2.319 10 0 CEAELP COc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)ccc1O ZINC000020126909 171012301 /nfs/dbraw/zinc/01/23/01/171012301.db2.gz DYMRJPFYVKLQID-GFCCVEGCSA-N 2 2 264.369 2.147 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)cc1OC(F)F ZINC000022173039 171368759 /nfs/dbraw/zinc/36/87/59/171368759.db2.gz SLHISBQKWOODTN-LLVKDONJSA-N 2 2 286.322 2.392 10 0 CEAELP Cc1cc(C[NH2+]CCc2[nH+]ccn2C)cc(C)c1O ZINC000040638976 174362795 /nfs/dbraw/zinc/36/27/95/174362795.db2.gz JAINSTWFOSSROJ-UHFFFAOYSA-N 2 2 259.353 2.075 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000040639220 174363709 /nfs/dbraw/zinc/36/37/09/174363709.db2.gz XRNFQAKGVFUYJS-HNNXBMFYSA-N 2 2 255.365 2.110 10 0 CEAELP CC[C@@H](CC[NH3+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693637 174377309 /nfs/dbraw/zinc/37/73/09/174377309.db2.gz AHNCZEAGRZHLTI-AWEZNQCLSA-N 3 2 253.434 2.064 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750026 174395233 /nfs/dbraw/zinc/39/52/33/174395233.db2.gz VTLHJISTQDTBNF-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750026 174395235 /nfs/dbraw/zinc/39/52/35/174395235.db2.gz VTLHJISTQDTBNF-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000401793438 414753064 /nfs/dbraw/zinc/75/30/64/414753064.db2.gz DDEKQYJBSPNSRD-MBNYWOFBSA-N 2 2 278.396 2.352 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043335945 175012231 /nfs/dbraw/zinc/01/22/31/175012231.db2.gz PPZNCLRGAZBDOL-GOEBONIOSA-N 3 2 279.428 2.332 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCCSCC1 ZINC000043339906 175013549 /nfs/dbraw/zinc/01/35/49/175013549.db2.gz YLOLGGOAQXNEJZ-GXTWGEPZSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCCSCC1 ZINC000043339906 175013550 /nfs/dbraw/zinc/01/35/50/175013550.db2.gz YLOLGGOAQXNEJZ-GXTWGEPZSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCCSCC1 ZINC000043339904 175013866 /nfs/dbraw/zinc/01/38/66/175013866.db2.gz YLOLGGOAQXNEJZ-OCCSQVGLSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCCSCC1 ZINC000043339904 175013867 /nfs/dbraw/zinc/01/38/67/175013867.db2.gz YLOLGGOAQXNEJZ-OCCSQVGLSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCOC)CC(C)C ZINC000043340427 175014173 /nfs/dbraw/zinc/01/41/73/175014173.db2.gz XUKSTEDBFXXDSC-GOEBONIOSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCOC)CC(C)C ZINC000043340427 175014174 /nfs/dbraw/zinc/01/41/74/175014174.db2.gz XUKSTEDBFXXDSC-GOEBONIOSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCOC)CC(C)C ZINC000043347900 175018203 /nfs/dbraw/zinc/01/82/03/175018203.db2.gz HQSSGNXAXNNWBB-HOTGVXAUSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCOC)CC(C)C ZINC000043347900 175018204 /nfs/dbraw/zinc/01/82/04/175018204.db2.gz HQSSGNXAXNNWBB-HOTGVXAUSA-N 2 2 279.428 2.464 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347083 175018274 /nfs/dbraw/zinc/01/82/74/175018274.db2.gz GQLMYMVAWNWVFO-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347083 175018275 /nfs/dbraw/zinc/01/82/75/175018275.db2.gz GQLMYMVAWNWVFO-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H]2CCSC2)o1 ZINC000043364090 175025026 /nfs/dbraw/zinc/02/50/26/175025026.db2.gz QTPMFVAMHOSKCS-NQBHXWOUSA-N 2 2 254.399 2.414 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000043364090 175025027 /nfs/dbraw/zinc/02/50/27/175025027.db2.gz QTPMFVAMHOSKCS-NQBHXWOUSA-N 2 2 254.399 2.414 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898748 175121548 /nfs/dbraw/zinc/12/15/48/175121548.db2.gz ABHBCHKYJPMHCW-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898748 175121549 /nfs/dbraw/zinc/12/15/49/175121549.db2.gz ABHBCHKYJPMHCW-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[NH+](CC(C)C)CC(C)C ZINC000043909696 175123125 /nfs/dbraw/zinc/12/31/25/175123125.db2.gz GLFRQJDZANJZLA-HUUCEWRRSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000043965809 175127198 /nfs/dbraw/zinc/12/71/98/175127198.db2.gz WXKVDCNQWDPNOK-CBBWQLFWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000043965809 175127200 /nfs/dbraw/zinc/12/72/00/175127200.db2.gz WXKVDCNQWDPNOK-CBBWQLFWSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966365 175128023 /nfs/dbraw/zinc/12/80/23/175128023.db2.gz RKDHHLAGFRFJOX-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966365 175128025 /nfs/dbraw/zinc/12/80/25/175128025.db2.gz RKDHHLAGFRFJOX-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CC1CCCCC1)OCCO2 ZINC000043968232 175129976 /nfs/dbraw/zinc/12/99/76/175129976.db2.gz UPQXOEHFRHKSDH-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CC1CCCCC1)OCCO2 ZINC000043968232 175129977 /nfs/dbraw/zinc/12/99/77/175129977.db2.gz UPQXOEHFRHKSDH-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969812 175131099 /nfs/dbraw/zinc/13/10/99/175131099.db2.gz UPYJAAYHJPVEHG-DLBZAZTESA-N 2 2 274.408 2.373 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969812 175131101 /nfs/dbraw/zinc/13/11/01/175131101.db2.gz UPYJAAYHJPVEHG-DLBZAZTESA-N 2 2 274.408 2.373 10 0 CEAELP CCC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374988 175365217 /nfs/dbraw/zinc/36/52/17/175365217.db2.gz TZTKSEAGMMKFHG-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCC1(C)CC[NH+]([C@@]2(C[NH3+])CCO[C@H](C)C2)CC1 ZINC000070366217 175895927 /nfs/dbraw/zinc/89/59/27/175895927.db2.gz ZGEAIZKODOZVMZ-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](Cc1ccc(Cl)nc1)C[C@H]1CC[NH+](C)C1 ZINC000071189062 176064404 /nfs/dbraw/zinc/06/44/04/176064404.db2.gz BIWKJZCBHBUQDA-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1ccc(Cl)nc1)C[C@H]1CC[NH+](C)C1 ZINC000071189062 176064405 /nfs/dbraw/zinc/06/44/05/176064405.db2.gz BIWKJZCBHBUQDA-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccc(Cl)nc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189062 176064406 /nfs/dbraw/zinc/06/44/06/176064406.db2.gz BIWKJZCBHBUQDA-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccc(Cl)nc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189062 176064407 /nfs/dbraw/zinc/06/44/07/176064407.db2.gz BIWKJZCBHBUQDA-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191396 176069671 /nfs/dbraw/zinc/06/96/71/176069671.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191396 176069673 /nfs/dbraw/zinc/06/96/73/176069673.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191396 176069674 /nfs/dbraw/zinc/06/96/74/176069674.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191396 176069675 /nfs/dbraw/zinc/06/96/75/176069675.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192029 176071149 /nfs/dbraw/zinc/07/11/49/176071149.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192029 176071150 /nfs/dbraw/zinc/07/11/50/176071150.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192029 176071151 /nfs/dbraw/zinc/07/11/51/176071151.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192029 176071153 /nfs/dbraw/zinc/07/11/53/176071153.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000071274494 176105921 /nfs/dbraw/zinc/10/59/21/176105921.db2.gz MNYCYYGKQGHZMJ-NSHDSACASA-N 2 2 287.367 2.022 10 0 CEAELP Cn1cc[nH+]c1Cn1c2ccc(N)cc2[nH+]c1C1CC1 ZINC000071275913 176106853 /nfs/dbraw/zinc/10/68/53/176106853.db2.gz KNXZJLHZUNSCKQ-UHFFFAOYSA-N 2 2 267.336 2.278 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356190 176136532 /nfs/dbraw/zinc/13/65/32/176136532.db2.gz QPSFUJFOUUCYLX-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356190 176136534 /nfs/dbraw/zinc/13/65/34/176136534.db2.gz QPSFUJFOUUCYLX-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+]CCc1cn(Cc2cccc(Br)c2)c[nH+]1 ZINC000071630710 176236860 /nfs/dbraw/zinc/23/68/60/176236860.db2.gz YVMANUVKBOWOHY-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000656701633 415823390 /nfs/dbraw/zinc/82/33/90/415823390.db2.gz ZTYZZWHPFRENNJ-AWEZNQCLSA-N 2 2 297.468 2.024 10 0 CEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000656701633 415823394 /nfs/dbraw/zinc/82/33/94/415823394.db2.gz ZTYZZWHPFRENNJ-AWEZNQCLSA-N 2 2 297.468 2.024 10 0 CEAELP CC[N@H+](CCCNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431678 419447499 /nfs/dbraw/zinc/44/74/99/419447499.db2.gz DNFQXUWITWGZOP-INIZCTEOSA-N 2 2 291.439 2.393 10 0 CEAELP CC[N@@H+](CCCNC(=O)C[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431678 419447506 /nfs/dbraw/zinc/44/75/06/419447506.db2.gz DNFQXUWITWGZOP-INIZCTEOSA-N 2 2 291.439 2.393 10 0 CEAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666885655 419455840 /nfs/dbraw/zinc/45/58/40/419455840.db2.gz KNDXLEMACNSNEF-DOMZBBRYSA-N 2 2 255.365 2.465 10 0 CEAELP CC[N@H+](C)[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302825612 276078634 /nfs/dbraw/zinc/07/86/34/276078634.db2.gz MLHGCOLUEIGFMT-ZDUSSCGKSA-N 2 2 274.412 2.194 10 0 CEAELP CC[N@@H+](C)[C@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302825612 276078635 /nfs/dbraw/zinc/07/86/35/276078635.db2.gz MLHGCOLUEIGFMT-ZDUSSCGKSA-N 2 2 274.412 2.194 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000396586139 280674726 /nfs/dbraw/zinc/67/47/26/280674726.db2.gz VBQSROAPZGINTP-YWPYICTPSA-N 2 2 278.396 2.495 10 0 CEAELP CCC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC000054626720 519845087 /nfs/dbraw/zinc/84/50/87/519845087.db2.gz WCWRKRIYUUIELJ-OKILXGFUSA-N 2 2 250.386 2.057 10 0 CEAELP CCC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC000054626720 519845090 /nfs/dbraw/zinc/84/50/90/519845090.db2.gz WCWRKRIYUUIELJ-OKILXGFUSA-N 2 2 250.386 2.057 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)oc1C ZINC000052476383 519990929 /nfs/dbraw/zinc/99/09/29/519990929.db2.gz YEJXHBATCLNCMP-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)oc1C ZINC000052476383 519990937 /nfs/dbraw/zinc/99/09/37/519990937.db2.gz YEJXHBATCLNCMP-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCOCC2(C)C)cc1C ZINC000052546246 520028131 /nfs/dbraw/zinc/02/81/31/520028131.db2.gz JKHHRANQLUWGBB-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCOCC2(C)C)cc1C ZINC000052546246 520028140 /nfs/dbraw/zinc/02/81/40/520028140.db2.gz JKHHRANQLUWGBB-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417251 522024104 /nfs/dbraw/zinc/02/41/04/522024104.db2.gz NURYEVQIQLTHBI-INIZCTEOSA-N 2 2 261.413 2.053 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000054556951 519560725 /nfs/dbraw/zinc/56/07/25/519560725.db2.gz IXSNYYZWDVPTRY-NFOMZHRRSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000054556951 519560732 /nfs/dbraw/zinc/56/07/32/519560732.db2.gz IXSNYYZWDVPTRY-NFOMZHRRSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481780 519727955 /nfs/dbraw/zinc/72/79/55/519727955.db2.gz APFPTOUYYAABMA-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481780 519727958 /nfs/dbraw/zinc/72/79/58/519727958.db2.gz APFPTOUYYAABMA-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000049204493 519814551 /nfs/dbraw/zinc/81/45/51/519814551.db2.gz APJRGBGQILYSGF-LSDHHAIUSA-N 2 2 268.376 2.035 10 0 CEAELP CCC[NH2+]CC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417719 519919651 /nfs/dbraw/zinc/91/96/51/519919651.db2.gz HQIPHNLOPYHAPR-CYBMUJFWSA-N 2 2 282.457 2.043 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000052370948 520020572 /nfs/dbraw/zinc/02/05/72/520020572.db2.gz INMAUPSCHNKHDL-UHFFFAOYSA-N 2 2 271.455 2.192 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+]2CCCSCC2)cs1 ZINC000052370948 520020577 /nfs/dbraw/zinc/02/05/77/520020577.db2.gz INMAUPSCHNKHDL-UHFFFAOYSA-N 2 2 271.455 2.192 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061271107 520170263 /nfs/dbraw/zinc/17/02/63/520170263.db2.gz AWXHBSXUOWFWIY-SECBINFHSA-N 2 2 260.341 2.198 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053012706 520607122 /nfs/dbraw/zinc/60/71/22/520607122.db2.gz WCWRCIJXCMEXNZ-HNNXBMFYSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053012706 520607131 /nfs/dbraw/zinc/60/71/31/520607131.db2.gz WCWRCIJXCMEXNZ-HNNXBMFYSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH+](CC)CC[NH2+]CCCOc1ccccc1 ZINC000049633088 520688365 /nfs/dbraw/zinc/68/83/65/520688365.db2.gz FOJYECNFXHTTED-UHFFFAOYSA-N 2 2 250.386 2.387 10 0 CEAELP CCOc1ccc(Nc2cc[nH+]c(N(C)C)n2)cc1C[NH3+] ZINC000068690283 521138309 /nfs/dbraw/zinc/13/83/09/521138309.db2.gz BJGYZSKYYFYKPN-UHFFFAOYSA-N 2 2 287.367 2.144 10 0 CEAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)COC ZINC000050579155 521473309 /nfs/dbraw/zinc/47/33/09/521473309.db2.gz LLHDTBQGWCPLJS-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)[C@@H](C)COC ZINC000050579155 521473312 /nfs/dbraw/zinc/47/33/12/521473312.db2.gz LLHDTBQGWCPLJS-WFASDCNBSA-N 2 2 268.376 2.491 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000052810805 521830674 /nfs/dbraw/zinc/83/06/74/521830674.db2.gz SURWJHCMDQEJJC-CYBMUJFWSA-N 2 2 256.777 2.136 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000052810805 521830683 /nfs/dbraw/zinc/83/06/83/521830683.db2.gz SURWJHCMDQEJJC-CYBMUJFWSA-N 2 2 256.777 2.136 10 0 CEAELP CC[C@H](C[NH2+]CC(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515243 522195698 /nfs/dbraw/zinc/19/56/98/522195698.db2.gz PETXEGOVBAJIKY-MRXNPFEDSA-N 3 2 269.477 2.284 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1nc(C(C)(C)[NH3+])no1 ZINC000062807709 522504485 /nfs/dbraw/zinc/50/44/85/522504485.db2.gz ZHUMUGDMHHMWLC-UHFFFAOYSA-N 2 2 285.351 2.224 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502646 522594397 /nfs/dbraw/zinc/59/43/97/522594397.db2.gz CEEYEYYHCDSPQD-LRDDRELGSA-N 2 2 273.380 2.201 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502646 522594401 /nfs/dbraw/zinc/59/44/01/522594401.db2.gz CEEYEYYHCDSPQD-LRDDRELGSA-N 2 2 273.380 2.201 10 0 CEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502790 523231243 /nfs/dbraw/zinc/23/12/43/523231243.db2.gz GDGWRCSWCRSYLK-OAHLLOKOSA-N 2 2 273.380 2.203 10 0 CEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502790 523231253 /nfs/dbraw/zinc/23/12/53/523231253.db2.gz GDGWRCSWCRSYLK-OAHLLOKOSA-N 2 2 273.380 2.203 10 0 CEAELP C[N@H+](Cc1cc[nH+]c(NN)c1)Cc1ccccc1F ZINC000052721182 523454257 /nfs/dbraw/zinc/45/42/57/523454257.db2.gz UBSAQWBETOQPRH-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@@H+](Cc1cc[nH+]c(NN)c1)Cc1ccccc1F ZINC000052721182 523454263 /nfs/dbraw/zinc/45/42/63/523454263.db2.gz UBSAQWBETOQPRH-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@H+](Cc1ccsc1)Cc1cccnc1C(N)=[NH2+] ZINC000061657972 523487837 /nfs/dbraw/zinc/48/78/37/523487837.db2.gz BDGCPFBMVVESPO-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP C[N@@H+](Cc1ccsc1)Cc1cccnc1C(N)=[NH2+] ZINC000061657972 523487844 /nfs/dbraw/zinc/48/78/44/523487844.db2.gz BDGCPFBMVVESPO-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP C[C@H]1CCc2ccccc2N1CC[N@@H+]1CCC[NH2+]CC1 ZINC000061274917 524439175 /nfs/dbraw/zinc/43/91/75/524439175.db2.gz VNTABZOFVBTTHJ-HNNXBMFYSA-N 2 2 273.424 2.123 10 0 CEAELP C[C@H]1CCc2ccccc2N1CC[N@H+]1CCC[NH2+]CC1 ZINC000061274917 524439181 /nfs/dbraw/zinc/43/91/81/524439181.db2.gz VNTABZOFVBTTHJ-HNNXBMFYSA-N 2 2 273.424 2.123 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1F ZINC000062802956 525000602 /nfs/dbraw/zinc/00/06/02/525000602.db2.gz BKSJVTHSCZUGCP-SECBINFHSA-N 2 2 251.280 2.099 10 0 CEAELP C[C@@H]1C[NH+](Cc2ccoc2C[NH2+]C2CC2)C[C@@H](C)O1 ZINC000052380455 525023499 /nfs/dbraw/zinc/02/34/99/525023499.db2.gz QYLCBSZDBYFHPO-VXGBXAGGSA-N 2 2 264.369 2.141 10 0 CEAELP COc1cccc(C[N@H+](C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658123 525915114 /nfs/dbraw/zinc/91/51/14/525915114.db2.gz IXJNFVNUQCTFAS-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP COc1cccc(C[N@@H+](C)Cc2cccnc2C(N)=[NH2+])c1 ZINC000061658123 525915128 /nfs/dbraw/zinc/91/51/28/525915128.db2.gz IXJNFVNUQCTFAS-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP [NH3+]C[C@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050514006 527230586 /nfs/dbraw/zinc/23/05/86/527230586.db2.gz MOKWCORLJGXTTL-QGZVFWFLSA-N 2 2 270.376 2.181 10 0 CEAELP [NH3+]C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050514006 527230589 /nfs/dbraw/zinc/23/05/89/527230589.db2.gz MOKWCORLJGXTTL-QGZVFWFLSA-N 2 2 270.376 2.181 10 0 CEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@H](O)C1 ZINC000388701607 642620928 /nfs/dbraw/zinc/62/09/28/642620928.db2.gz HGQSIZXZHPSRRX-FZKCQIBNSA-N 2 2 266.429 2.096 10 0 CEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@H](O)C1 ZINC000388701607 642620930 /nfs/dbraw/zinc/62/09/30/642620930.db2.gz HGQSIZXZHPSRRX-FZKCQIBNSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@H](O)C1 ZINC000388701607 642620932 /nfs/dbraw/zinc/62/09/32/642620932.db2.gz HGQSIZXZHPSRRX-FZKCQIBNSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@H](O)C1 ZINC000388701607 642620934 /nfs/dbraw/zinc/62/09/34/642620934.db2.gz HGQSIZXZHPSRRX-FZKCQIBNSA-N 2 2 266.429 2.096 10 0 CEAELP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133432433 652627478 /nfs/dbraw/zinc/62/74/78/652627478.db2.gz MRURHTOQLYXYFQ-SOUVJXGZSA-N 2 2 262.397 2.413 10 0 CEAELP CCCc1ccc([C@H]([NH3+])CC[NH+]2CCOCC2)cc1 ZINC000082296897 177950991 /nfs/dbraw/zinc/95/09/91/177950991.db2.gz GGKYBPQNTKMUIG-MRXNPFEDSA-N 2 2 262.397 2.361 10 0 CEAELP OC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC000083301228 178380459 /nfs/dbraw/zinc/38/04/59/178380459.db2.gz HMEPRNJLXKLLQK-IRXDYDNUSA-N 2 2 274.408 2.328 10 0 CEAELP OC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC000083301228 178380461 /nfs/dbraw/zinc/38/04/61/178380461.db2.gz HMEPRNJLXKLLQK-IRXDYDNUSA-N 2 2 274.408 2.328 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+](C)C ZINC000043020103 362133453 /nfs/dbraw/zinc/13/34/53/362133453.db2.gz CHCRBTGMIAWACB-GZMMTYOYSA-N 2 2 257.175 2.399 10 0 CEAELP [NH3+]C[C@H](c1cc(Br)cs1)n1cc[nH+]c1 ZINC000043287865 362142281 /nfs/dbraw/zinc/14/22/81/362142281.db2.gz GZLIZTSQEBIQJL-MRVPVSSYSA-N 2 2 272.171 2.255 10 0 CEAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873823 344547902 /nfs/dbraw/zinc/54/79/02/344547902.db2.gz IZMCMZQESIQXER-JYJNAYRXSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873823 344547903 /nfs/dbraw/zinc/54/79/03/344547903.db2.gz IZMCMZQESIQXER-JYJNAYRXSA-N 2 2 260.381 2.015 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889073 344718477 /nfs/dbraw/zinc/71/84/77/344718477.db2.gz WXBWTYZZQOVURU-TZMCWYRMSA-N 2 2 275.421 2.199 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889073 344718479 /nfs/dbraw/zinc/71/84/79/344718479.db2.gz WXBWTYZZQOVURU-TZMCWYRMSA-N 2 2 275.421 2.199 10 0 CEAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115008 344844153 /nfs/dbraw/zinc/84/41/53/344844153.db2.gz KPSAYGYUUACZDQ-CQSZACIVSA-N 2 2 290.432 2.448 10 0 CEAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000395115008 344844155 /nfs/dbraw/zinc/84/41/55/344844155.db2.gz KPSAYGYUUACZDQ-CQSZACIVSA-N 2 2 290.432 2.448 10 0 CEAELP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000178518997 232373908 /nfs/dbraw/zinc/37/39/08/232373908.db2.gz WJKPFPGXRBWNEK-RISCZKNCSA-N 2 2 297.468 2.257 10 0 CEAELP CC[C@H]1CN(CCCn2cc[nH+]c2)[C@@](C)(CC)C[NH2+]1 ZINC000085474415 179077999 /nfs/dbraw/zinc/07/79/99/179077999.db2.gz QKIQUPVDXAMWPW-GJZGRUSLSA-N 2 2 264.417 2.126 10 0 CEAELP COCCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515699 179087759 /nfs/dbraw/zinc/08/77/59/179087759.db2.gz XCFIJCKDVVIMIR-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515699 179087761 /nfs/dbraw/zinc/08/77/61/179087761.db2.gz XCFIJCKDVVIMIR-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@@H+]1C[C@@](C)(CC)[NH2+]CC12CCCC2 ZINC000085497063 179083131 /nfs/dbraw/zinc/08/31/31/179083131.db2.gz XUEDWKVIGWDXHM-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@@](C)(CC)[NH2+]CC12CCCC2 ZINC000085497063 179083133 /nfs/dbraw/zinc/08/31/33/179083133.db2.gz XUEDWKVIGWDXHM-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529178 179091175 /nfs/dbraw/zinc/09/11/75/179091175.db2.gz AIYCLMKZYPLBLB-ZFWWWQNUSA-N 2 2 264.413 2.020 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529178 179091176 /nfs/dbraw/zinc/09/11/76/179091176.db2.gz AIYCLMKZYPLBLB-ZFWWWQNUSA-N 2 2 264.413 2.020 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609763 179101390 /nfs/dbraw/zinc/10/13/90/179101390.db2.gz JWNTWWGZJOZOIE-HIFRSBDPSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609763 179101393 /nfs/dbraw/zinc/10/13/93/179101393.db2.gz JWNTWWGZJOZOIE-HIFRSBDPSA-N 2 2 254.418 2.123 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)n1 ZINC000085611255 179103056 /nfs/dbraw/zinc/10/30/56/179103056.db2.gz PAYZQMVTGVOTPD-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)n1 ZINC000085611255 179103058 /nfs/dbraw/zinc/10/30/58/179103058.db2.gz PAYZQMVTGVOTPD-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1ccc(Br)cc1F ZINC000085798474 179172715 /nfs/dbraw/zinc/17/27/15/179172715.db2.gz CCDYBMYTWQAZGZ-SNVBAGLBSA-N 2 2 275.165 2.020 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174365 179245278 /nfs/dbraw/zinc/24/52/78/179245278.db2.gz FLPBHLWQBGVHBA-BARDWOONSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C(C)C)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174365 179245279 /nfs/dbraw/zinc/24/52/79/179245279.db2.gz FLPBHLWQBGVHBA-BARDWOONSA-N 2 2 254.418 2.262 10 0 CEAELP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264825 179261399 /nfs/dbraw/zinc/26/13/99/179261399.db2.gz STTGANOFNXNHSI-HIFRSBDPSA-N 2 2 276.428 2.163 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292444 179266552 /nfs/dbraw/zinc/26/65/52/179266552.db2.gz VDNJSNHYBWMUKA-KKUMJFAQSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292444 179266555 /nfs/dbraw/zinc/26/65/55/179266555.db2.gz VDNJSNHYBWMUKA-KKUMJFAQSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291491 179266805 /nfs/dbraw/zinc/26/68/05/179266805.db2.gz NBWXRBNSOIFAGC-DOTOQJQBSA-N 3 2 281.488 2.428 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291491 179266808 /nfs/dbraw/zinc/26/68/08/179266808.db2.gz NBWXRBNSOIFAGC-DOTOQJQBSA-N 3 2 281.488 2.428 10 0 CEAELP Cn1cc[nH+]c1CN1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086297352 179267515 /nfs/dbraw/zinc/26/75/15/179267515.db2.gz YIAWYTFSWOLTEM-HNNXBMFYSA-N 2 2 276.428 2.164 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296324 179268180 /nfs/dbraw/zinc/26/81/80/179268180.db2.gz WIERCQZRMSOKNT-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296324 179268182 /nfs/dbraw/zinc/26/81/82/179268182.db2.gz WIERCQZRMSOKNT-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297907 179268766 /nfs/dbraw/zinc/26/87/66/179268766.db2.gz DVZWDUXXMLARDR-GFCCVEGCSA-N 2 2 253.415 2.150 10 0 CEAELP CCC[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297907 179268768 /nfs/dbraw/zinc/26/87/68/179268768.db2.gz DVZWDUXXMLARDR-GFCCVEGCSA-N 2 2 253.415 2.150 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817400 179345315 /nfs/dbraw/zinc/34/53/15/179345315.db2.gz HYKFVYNOZDQZPA-HNNXBMFYSA-N 3 2 286.423 2.419 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817400 179345318 /nfs/dbraw/zinc/34/53/18/179345318.db2.gz HYKFVYNOZDQZPA-HNNXBMFYSA-N 3 2 286.423 2.419 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086848162 179355981 /nfs/dbraw/zinc/35/59/81/179355981.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086848162 179355983 /nfs/dbraw/zinc/35/59/83/179355983.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[NH+](CCOC)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086848162 179355985 /nfs/dbraw/zinc/35/59/85/179355985.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[NH+](CCOC)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086848162 179355986 /nfs/dbraw/zinc/35/59/86/179355986.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 2 299.503 2.327 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccnc(C)n2)CC1 ZINC000086842081 179353733 /nfs/dbraw/zinc/35/37/33/179353733.db2.gz ARXPMLTUMCFYLX-AWEZNQCLSA-N 2 2 262.401 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2ccnc(C)n2)CC1 ZINC000086842081 179353735 /nfs/dbraw/zinc/35/37/35/179353735.db2.gz ARXPMLTUMCFYLX-AWEZNQCLSA-N 2 2 262.401 2.139 10 0 CEAELP CCC[N@@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851777 179359967 /nfs/dbraw/zinc/35/99/67/179359967.db2.gz RWIQTPXBVPRBMI-OAHLLOKOSA-N 2 2 280.416 2.417 10 0 CEAELP CCC[N@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851777 179359970 /nfs/dbraw/zinc/35/99/70/179359970.db2.gz RWIQTPXBVPRBMI-OAHLLOKOSA-N 2 2 280.416 2.417 10 0 CEAELP C[C@@H]1C[C@](C[NH3+])([N@H+](C)Cc2ccsc2)CS1 ZINC000086936658 179368129 /nfs/dbraw/zinc/36/81/29/179368129.db2.gz NVRGDRPJZJRFPN-ZYHUDNBSSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@@H]1C[C@](C[NH3+])([N@@H+](C)Cc2ccsc2)CS1 ZINC000086936658 179368132 /nfs/dbraw/zinc/36/81/32/179368132.db2.gz NVRGDRPJZJRFPN-ZYHUDNBSSA-N 2 2 256.440 2.403 10 0 CEAELP COC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949808 179368879 /nfs/dbraw/zinc/36/88/79/179368879.db2.gz LTRKPSUSOZTWOH-DOTOQJQBSA-N 2 2 296.455 2.430 10 0 CEAELP COC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C(C)C)CC1 ZINC000086949808 179368880 /nfs/dbraw/zinc/36/88/80/179368880.db2.gz LTRKPSUSOZTWOH-DOTOQJQBSA-N 2 2 296.455 2.430 10 0 CEAELP c1cc2cc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC000067714259 362919836 /nfs/dbraw/zinc/91/98/36/362919836.db2.gz REUGEOJRQPKKRU-CABCVRRESA-N 2 2 255.365 2.494 10 0 CEAELP c1cc2cc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH]1 ZINC000067714259 362919840 /nfs/dbraw/zinc/91/98/40/362919840.db2.gz REUGEOJRQPKKRU-CABCVRRESA-N 2 2 255.365 2.494 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616631191 348541094 /nfs/dbraw/zinc/54/10/94/348541094.db2.gz YGXQLGCKXDWEEH-CQSZACIVSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616631191 348541098 /nfs/dbraw/zinc/54/10/98/348541098.db2.gz YGXQLGCKXDWEEH-CQSZACIVSA-N 2 2 270.380 2.158 10 0 CEAELP C[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090842171 180043517 /nfs/dbraw/zinc/04/35/17/180043517.db2.gz FZVWBNJKUSBOKD-KQHSUYLTSA-N 2 2 291.420 2.290 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C)O2 ZINC000090897794 180057411 /nfs/dbraw/zinc/05/74/11/180057411.db2.gz PIOOAYBJVAQCJE-JKSUJKDBSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C)O2 ZINC000090897794 180057412 /nfs/dbraw/zinc/05/74/12/180057412.db2.gz PIOOAYBJVAQCJE-JKSUJKDBSA-N 2 2 274.408 2.372 10 0 CEAELP CCC[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900143 180058671 /nfs/dbraw/zinc/05/86/71/180058671.db2.gz QKGDUJTVOOSWLA-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CCC[N@@H+](C[C@@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900143 180058673 /nfs/dbraw/zinc/05/86/73/180058673.db2.gz QKGDUJTVOOSWLA-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901599 180059074 /nfs/dbraw/zinc/05/90/74/180059074.db2.gz CHBDCKXZAYMWSO-LSDHHAIUSA-N 2 2 285.391 2.475 10 0 CEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000068803396 362949244 /nfs/dbraw/zinc/94/92/44/362949244.db2.gz STCRJGOXOYDJLK-BZUAXINKSA-N 2 2 281.488 2.427 10 0 CEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000068803396 362949248 /nfs/dbraw/zinc/94/92/48/362949248.db2.gz STCRJGOXOYDJLK-BZUAXINKSA-N 2 2 281.488 2.427 10 0 CEAELP c1cn2c([nH+]1)CN(C[C@@H]1CC[C@@H]3CCCC[C@@H]3[NH2+]1)CC2 ZINC000091362787 180141609 /nfs/dbraw/zinc/14/16/09/180141609.db2.gz WXLUKJQICXZVHV-KKUMJFAQSA-N 2 2 274.412 2.010 10 0 CEAELP CC(C)n1cncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272940 180117883 /nfs/dbraw/zinc/11/78/83/180117883.db2.gz KISWXFIJOGYKGH-ZBFHGGJFSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1cncc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272940 180117884 /nfs/dbraw/zinc/11/78/84/180117884.db2.gz KISWXFIJOGYKGH-ZBFHGGJFSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272940 180117885 /nfs/dbraw/zinc/11/78/85/180117885.db2.gz KISWXFIJOGYKGH-ZBFHGGJFSA-N 2 2 276.428 2.428 10 0 CEAELP CCCN(Cc1c[nH+]cn1C(C)C)[C@H]1CCC[NH2+]C1 ZINC000091273026 180118149 /nfs/dbraw/zinc/11/81/49/180118149.db2.gz UZNFGYCSDNNZAS-AWEZNQCLSA-N 2 2 264.417 2.428 10 0 CEAELP CC(C)CN1C(=O)CCC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275610 180118508 /nfs/dbraw/zinc/11/85/08/180118508.db2.gz XVUKBLCNQYDELI-BBRMVZONSA-N 2 2 290.411 2.255 10 0 CEAELP CC(C)(C)N1CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275638 180119076 /nfs/dbraw/zinc/11/90/76/180119076.db2.gz HZNAHPKIVOYTEB-TZMCWYRMSA-N 2 2 262.401 2.481 10 0 CEAELP [NH3+][C@@H]1CCCCN(C2CC2)[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275675 180119145 /nfs/dbraw/zinc/11/91/45/180119145.db2.gz AXMYAUDLGNWLGN-HIFRSBDPSA-N 2 2 260.385 2.235 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CC[NH2+]Cc2ccccc21 ZINC000091277027 180119916 /nfs/dbraw/zinc/11/99/16/180119916.db2.gz AKERGQYZQWHDIK-UHFFFAOYSA-N 2 2 268.364 2.328 10 0 CEAELP CN(c1ccc(F)cc1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276470 180119985 /nfs/dbraw/zinc/11/99/85/180119985.db2.gz HSBGALVUTUHPHE-CQSZACIVSA-N 2 2 274.343 2.493 10 0 CEAELP CC(C)[C@@H](C)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276267 180120296 /nfs/dbraw/zinc/12/02/96/180120296.db2.gz BHFIOCFWYFPBHT-YPMHNXCESA-N 2 2 250.390 2.194 10 0 CEAELP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091564728 180193356 /nfs/dbraw/zinc/19/33/56/180193356.db2.gz ANHPQKPJYVOXFK-AWEZNQCLSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@](C)([C@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCC1 ZINC000091609002 180205238 /nfs/dbraw/zinc/20/52/38/180205238.db2.gz BEHQXPMGCVWSFK-GDBMZVCRSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091609002 180205240 /nfs/dbraw/zinc/20/52/40/180205240.db2.gz BEHQXPMGCVWSFK-GDBMZVCRSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091608485 180205813 /nfs/dbraw/zinc/20/58/13/180205813.db2.gz MGIFBLUHULQLPM-ZBFHGGJFSA-N 2 2 277.412 2.222 10 0 CEAELP CCCn1ncnc1C[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091609449 180205823 /nfs/dbraw/zinc/20/58/23/180205823.db2.gz RXVOPZPJOPFTKT-GOEBONIOSA-N 2 2 293.459 2.213 10 0 CEAELP CC[C@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609684 180205858 /nfs/dbraw/zinc/20/58/58/180205858.db2.gz XSKMDPSOOPTRCT-DLBZAZTESA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000091612153 180207514 /nfs/dbraw/zinc/20/75/14/180207514.db2.gz ASQRBRQRTAVCLG-SJORKVTESA-N 2 2 276.424 2.447 10 0 CEAELP CCCn1c2ccc(C)cc2[nH+]c1C[C@@](C)(O)C[NH3+] ZINC000091522010 180178029 /nfs/dbraw/zinc/17/80/29/180178029.db2.gz RGKHXXDUZGMSPA-OAHLLOKOSA-N 2 2 261.369 2.007 10 0 CEAELP CC[NH2+][C@@H](Cc1ccn(C(C)C)n1)C(C)(C)[NH+](C)C ZINC000091529186 180180946 /nfs/dbraw/zinc/18/09/46/180180946.db2.gz VCJZNXGKVSBUCX-AWEZNQCLSA-N 2 2 266.433 2.325 10 0 CEAELP CCn1nc(C)c(Cl)c1C[C@@H]([NH2+]C)C(C)(C)[NH+](C)C ZINC000091528739 180180957 /nfs/dbraw/zinc/18/09/57/180180957.db2.gz GHBOLGUVQOYFSK-GFCCVEGCSA-N 2 2 286.851 2.336 10 0 CEAELP Nc1cc[nH+]cc1C[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641862 180213099 /nfs/dbraw/zinc/21/30/99/180213099.db2.gz AEJOAHGPUSFIAL-MRXNPFEDSA-N 2 2 288.439 2.332 10 0 CEAELP Nc1cc[nH+]cc1C[C@@H]([NH3+])C1(N2CCCCC2)CCCC1 ZINC000091641862 180213100 /nfs/dbraw/zinc/21/31/00/180213100.db2.gz AEJOAHGPUSFIAL-MRXNPFEDSA-N 2 2 288.439 2.332 10 0 CEAELP Nc1cc[nH+]cc1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640093 180213268 /nfs/dbraw/zinc/21/32/68/180213268.db2.gz RUBSFCFMRZUIDZ-UHFFFAOYSA-N 2 2 259.353 2.255 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccn([C@H](C)CC)n1)C[NH+](C)C ZINC000091719930 180234658 /nfs/dbraw/zinc/23/46/58/180234658.db2.gz DYNCGSIABSAUAW-HIFRSBDPSA-N 2 2 266.433 2.326 10 0 CEAELP CCC[NH2+][C@H](Cc1nn(C)c2ccccc12)C[NH+](C)C ZINC000091719943 180235416 /nfs/dbraw/zinc/23/54/16/180235416.db2.gz DGCNRIZMADISRQ-CYBMUJFWSA-N 2 2 274.412 2.046 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721299 180237584 /nfs/dbraw/zinc/23/75/84/180237584.db2.gz SRGDNMSPRJLSRQ-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721299 180237586 /nfs/dbraw/zinc/23/75/86/180237586.db2.gz SRGDNMSPRJLSRQ-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP CCOc1ccccc1[C@H]([NH2+]C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721398 180238561 /nfs/dbraw/zinc/23/85/61/180238561.db2.gz XOHPEXJUNGNECL-XYPHTWIQSA-N 2 2 290.407 2.209 10 0 CEAELP CCOc1ccccc1[C@H]([NH2+]C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721398 180238563 /nfs/dbraw/zinc/23/85/63/180238563.db2.gz XOHPEXJUNGNECL-XYPHTWIQSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721807 180240004 /nfs/dbraw/zinc/24/00/04/180240004.db2.gz LNYBCKHJKXRKOT-DJIMGWMZSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721807 180240008 /nfs/dbraw/zinc/24/00/08/180240008.db2.gz LNYBCKHJKXRKOT-DJIMGWMZSA-N 2 2 290.407 2.209 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1C[NH2+]C(C)(C)C ZINC000091723732 180241309 /nfs/dbraw/zinc/24/13/09/180241309.db2.gz UAGUZQANABHXRL-UHFFFAOYSA-N 2 2 250.390 2.043 10 0 CEAELP CCC[NH2+]C[C@H](C)c1c(C)nc(C[NH+](C)C)nc1C ZINC000091723770 180242252 /nfs/dbraw/zinc/24/22/52/180242252.db2.gz GGRXKAFADLFGSQ-NSHDSACASA-N 2 2 264.417 2.258 10 0 CEAELP CCCN(C[C@@H]1C[N@H+](CC)CCO1)C1(C[NH3+])CCCCC1 ZINC000092051546 180313379 /nfs/dbraw/zinc/31/33/79/180313379.db2.gz KVYIXSGBLPAKRC-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP CCCN(C[C@@H]1C[N@@H+](CC)CCO1)C1(C[NH3+])CCCCC1 ZINC000092051546 180313381 /nfs/dbraw/zinc/31/33/81/180313381.db2.gz KVYIXSGBLPAKRC-INIZCTEOSA-N 2 2 297.487 2.081 10 0 CEAELP C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054404 180313652 /nfs/dbraw/zinc/31/36/52/180313652.db2.gz IUROUQMIUBUNEH-PWSUYJOCSA-N 2 2 284.787 2.069 10 0 CEAELP C[C@@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054404 180313654 /nfs/dbraw/zinc/31/36/54/180313654.db2.gz IUROUQMIUBUNEH-PWSUYJOCSA-N 2 2 284.787 2.069 10 0 CEAELP CCC[N@H+](Cc1nc(C)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000091996132 180302201 /nfs/dbraw/zinc/30/22/01/180302201.db2.gz MRLZFYFBEGITBJ-ZDUSSCGKSA-N 2 2 263.385 2.060 10 0 CEAELP CCC[N@@H+](Cc1nc(C)ccc1O)[C@H]1CCC[NH2+]C1 ZINC000091996132 180302202 /nfs/dbraw/zinc/30/22/02/180302202.db2.gz MRLZFYFBEGITBJ-ZDUSSCGKSA-N 2 2 263.385 2.060 10 0 CEAELP c1ccc2c(c1)SC[C@H]2C[NH2+]CCC[NH+]1CCOCC1 ZINC000092274800 180356236 /nfs/dbraw/zinc/35/62/36/180356236.db2.gz ZRVGSUSIOJQWEV-CQSZACIVSA-N 2 2 292.448 2.188 10 0 CEAELP CC[NH2+]CC[N@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092288518 180358109 /nfs/dbraw/zinc/35/81/09/180358109.db2.gz MVBAYYLSQRJYAC-GFCCVEGCSA-N 2 2 250.411 2.417 10 0 CEAELP CC[NH2+]CC[N@@H+](C)C[C@@H]1CSc2ccccc21 ZINC000092288518 180358111 /nfs/dbraw/zinc/35/81/11/180358111.db2.gz MVBAYYLSQRJYAC-GFCCVEGCSA-N 2 2 250.411 2.417 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300150 180358869 /nfs/dbraw/zinc/35/88/69/180358869.db2.gz MTADMULGFDIFLX-OLZOCXBDSA-N 2 2 257.337 2.037 10 0 CEAELP CC[C@@H](c1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000105924492 186090893 /nfs/dbraw/zinc/09/08/93/186090893.db2.gz IXXLOUPXPPLRHR-CVEARBPZSA-N 2 2 262.397 2.400 10 0 CEAELP CC[C@@H](c1ccccc1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000105924492 186090894 /nfs/dbraw/zinc/09/08/94/186090894.db2.gz IXXLOUPXPPLRHR-CVEARBPZSA-N 2 2 262.397 2.400 10 0 CEAELP CCCNc1cccc(CN2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000092371269 180370280 /nfs/dbraw/zinc/37/02/80/180370280.db2.gz DTXAQSYNYLNXPG-HNNXBMFYSA-N 2 2 276.428 2.430 10 0 CEAELP COCC[N@H+](C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385745 180373485 /nfs/dbraw/zinc/37/34/85/180373485.db2.gz ROHDQWBZHCNHJC-SJORKVTESA-N 2 2 290.407 2.121 10 0 CEAELP COCC[N@@H+](C1CC1)[C@@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385745 180373488 /nfs/dbraw/zinc/37/34/88/180373488.db2.gz ROHDQWBZHCNHJC-SJORKVTESA-N 2 2 290.407 2.121 10 0 CEAELP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H](C)Cn1cc[nH+]c1 ZINC000110629854 186308092 /nfs/dbraw/zinc/30/80/92/186308092.db2.gz BDNBSKHPDWDHFN-VIFPVBQESA-N 2 2 289.314 2.224 10 0 CEAELP C[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110932106 186333350 /nfs/dbraw/zinc/33/33/50/186333350.db2.gz ZBLHTFGXBKBVLZ-OAHLLOKOSA-N 2 2 255.365 2.419 10 0 CEAELP C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[NH2+]C1 ZINC000110932106 186333351 /nfs/dbraw/zinc/33/33/51/186333351.db2.gz ZBLHTFGXBKBVLZ-OAHLLOKOSA-N 2 2 255.365 2.419 10 0 CEAELP C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931278 186333373 /nfs/dbraw/zinc/33/33/73/186333373.db2.gz DVFIIGXULOUUJI-GFCCVEGCSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931278 186333375 /nfs/dbraw/zinc/33/33/75/186333375.db2.gz DVFIIGXULOUUJI-GFCCVEGCSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111159478 186361505 /nfs/dbraw/zinc/36/15/05/186361505.db2.gz QRKKYSNACSHXPC-HNNXBMFYSA-N 2 2 284.350 2.323 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111159478 186361507 /nfs/dbraw/zinc/36/15/07/186361507.db2.gz QRKKYSNACSHXPC-HNNXBMFYSA-N 2 2 284.350 2.323 10 0 CEAELP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)cc1N ZINC000111131384 186356576 /nfs/dbraw/zinc/35/65/76/186356576.db2.gz WUFTTXJQSWXCAL-UHFFFAOYSA-N 2 2 255.793 2.306 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)cc1N ZINC000111131384 186356578 /nfs/dbraw/zinc/35/65/78/186356578.db2.gz WUFTTXJQSWXCAL-UHFFFAOYSA-N 2 2 255.793 2.306 10 0 CEAELP C[NH+](C)CCC[N@H+](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000111148191 186358946 /nfs/dbraw/zinc/35/89/46/186358946.db2.gz XIQOBYHLQNLABX-UHFFFAOYSA-N 3 2 257.466 2.284 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000111148191 186358947 /nfs/dbraw/zinc/35/89/47/186358947.db2.gz XIQOBYHLQNLABX-UHFFFAOYSA-N 3 2 257.466 2.284 10 0 CEAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCOc2ccccc21 ZINC000111185552 186366645 /nfs/dbraw/zinc/36/66/45/186366645.db2.gz RNLPQYZALFNIJZ-WCQYABFASA-N 2 2 257.337 2.107 10 0 CEAELP CCOC(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1)OCC ZINC000124207804 187126685 /nfs/dbraw/zinc/12/66/85/187126685.db2.gz LGUCSZVPHVHEAR-CQSZACIVSA-N 2 2 295.427 2.482 10 0 CEAELP CCOC(C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1)OCC ZINC000124207804 187126686 /nfs/dbraw/zinc/12/66/86/187126686.db2.gz LGUCSZVPHVHEAR-CQSZACIVSA-N 2 2 295.427 2.482 10 0 CEAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000132847056 366174098 /nfs/dbraw/zinc/17/40/98/366174098.db2.gz GLSMQXABTJVXEH-LSDHHAIUSA-N 2 2 275.396 2.261 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271125 366635296 /nfs/dbraw/zinc/63/52/96/366635296.db2.gz QHZYRIFLHWIVDE-OCCSQVGLSA-N 2 2 298.377 2.462 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000151350056 366641574 /nfs/dbraw/zinc/64/15/74/366641574.db2.gz DLFIOUXKJAOLPH-UONOGXRCSA-N 2 2 280.412 2.339 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364704 189046397 /nfs/dbraw/zinc/04/63/97/189046397.db2.gz RMFKVUKTJXFSEC-INIZCTEOSA-N 2 2 299.422 2.183 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364704 189046398 /nfs/dbraw/zinc/04/63/98/189046398.db2.gz RMFKVUKTJXFSEC-INIZCTEOSA-N 2 2 299.422 2.183 10 0 CEAELP Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781547 366789915 /nfs/dbraw/zinc/78/99/15/366789915.db2.gz YRLVQAJCRQFJIU-QWHCGFSZSA-N 2 2 278.400 2.039 10 0 CEAELP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781547 366789921 /nfs/dbraw/zinc/78/99/21/366789921.db2.gz YRLVQAJCRQFJIU-QWHCGFSZSA-N 2 2 278.400 2.039 10 0 CEAELP CC(C)(C)[NH2+]C[C@H](O)COc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000028101243 361666689 /nfs/dbraw/zinc/66/66/89/361666689.db2.gz HBYIEJQLZYCNSI-ZDUSSCGKSA-N 2 2 289.379 2.205 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](CCc3cccnc3)C2)[nH+]c1 ZINC000172158958 367686624 /nfs/dbraw/zinc/68/66/24/367686624.db2.gz SSUCVJNPCLIESY-MRXNPFEDSA-N 2 2 282.391 2.453 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](CCc3cccnc3)C2)[nH+]c1 ZINC000172158958 367686632 /nfs/dbraw/zinc/68/66/32/367686632.db2.gz SSUCVJNPCLIESY-MRXNPFEDSA-N 2 2 282.391 2.453 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000358014245 370870042 /nfs/dbraw/zinc/87/00/42/370870042.db2.gz KHKFPUTXVBJTRG-OBJOEFQTSA-N 2 2 278.396 2.305 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000358014245 370870049 /nfs/dbraw/zinc/87/00/49/370870049.db2.gz KHKFPUTXVBJTRG-OBJOEFQTSA-N 2 2 278.396 2.305 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000358014247 370870513 /nfs/dbraw/zinc/87/05/13/370870513.db2.gz KHKFPUTXVBJTRG-SGMGOOAPSA-N 2 2 278.396 2.305 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000358014247 370870516 /nfs/dbraw/zinc/87/05/16/370870516.db2.gz KHKFPUTXVBJTRG-SGMGOOAPSA-N 2 2 278.396 2.305 10 0 CEAELP Cc1ccc(CCC[N@H+]2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000181854019 368501567 /nfs/dbraw/zinc/50/15/67/368501567.db2.gz BMRBELHDZVUZQE-KRWDZBQOSA-N 2 2 276.424 2.190 10 0 CEAELP O[C@@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCCC1 ZINC000193036921 369885459 /nfs/dbraw/zinc/88/54/59/369885459.db2.gz RLOXTZJOTBYTDD-NSHDSACASA-N 2 2 288.844 2.338 10 0 CEAELP C=Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000193854991 369985898 /nfs/dbraw/zinc/98/58/98/369985898.db2.gz MKOMEWKFTFKALS-CQSZACIVSA-N 2 2 283.379 2.313 10 0 CEAELP C=Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000193854991 369985902 /nfs/dbraw/zinc/98/59/02/369985902.db2.gz MKOMEWKFTFKALS-CQSZACIVSA-N 2 2 283.379 2.313 10 0 CEAELP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233072492 370517144 /nfs/dbraw/zinc/51/71/44/370517144.db2.gz XVAPZIVIBMHUKH-KGLIPLIRSA-N 2 2 270.417 2.040 10 0 CEAELP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233072492 370517150 /nfs/dbraw/zinc/51/71/50/370517150.db2.gz XVAPZIVIBMHUKH-KGLIPLIRSA-N 2 2 270.417 2.040 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668854 370485474 /nfs/dbraw/zinc/48/54/74/370485474.db2.gz BEJDDMUUXKUUBT-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668854 370485480 /nfs/dbraw/zinc/48/54/80/370485480.db2.gz BEJDDMUUXKUUBT-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231668384 370486322 /nfs/dbraw/zinc/48/63/22/370486322.db2.gz KNEOIWMGKHQTIX-AWEZNQCLSA-N 2 2 293.386 2.147 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231668384 370486324 /nfs/dbraw/zinc/48/63/24/370486324.db2.gz KNEOIWMGKHQTIX-AWEZNQCLSA-N 2 2 293.386 2.147 10 0 CEAELP C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231670857 370486956 /nfs/dbraw/zinc/48/69/56/370486956.db2.gz UXGOMUMTDJKNLZ-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231670857 370486962 /nfs/dbraw/zinc/48/69/62/370486962.db2.gz UXGOMUMTDJKNLZ-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248884566 371263050 /nfs/dbraw/zinc/26/30/50/371263050.db2.gz QKSVREQKFFNUJP-SFHVURJKSA-N 2 2 296.418 2.461 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248884566 371263052 /nfs/dbraw/zinc/26/30/52/371263052.db2.gz QKSVREQKFFNUJP-SFHVURJKSA-N 2 2 296.418 2.461 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261565304 371649650 /nfs/dbraw/zinc/64/96/50/371649650.db2.gz FEMKJHFLAAWXOW-JOYOIKCWSA-N 2 2 274.286 2.364 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261565304 371649660 /nfs/dbraw/zinc/64/96/60/371649660.db2.gz FEMKJHFLAAWXOW-JOYOIKCWSA-N 2 2 274.286 2.364 10 0 CEAELP CC[C@H](C)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116180 371825916 /nfs/dbraw/zinc/82/59/16/371825916.db2.gz BKJHJVGLBCYEQD-LBPRGKRZSA-N 2 2 274.368 2.329 10 0 CEAELP CC[C@H](C)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116180 371825918 /nfs/dbraw/zinc/82/59/18/371825918.db2.gz BKJHJVGLBCYEQD-LBPRGKRZSA-N 2 2 274.368 2.329 10 0 CEAELP C[C@@H](C1CC1)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262223865 371839225 /nfs/dbraw/zinc/83/92/25/371839225.db2.gz USXYORULAHVDNL-LBPRGKRZSA-N 2 2 286.379 2.329 10 0 CEAELP C[C@@H](C1CC1)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262223865 371839229 /nfs/dbraw/zinc/83/92/29/371839229.db2.gz USXYORULAHVDNL-LBPRGKRZSA-N 2 2 286.379 2.329 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514128 376852164 /nfs/dbraw/zinc/85/21/64/376852164.db2.gz OXISXBBXSZKOIY-WCQYABFASA-N 2 2 262.353 2.160 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)C1 ZINC000328514128 376852169 /nfs/dbraw/zinc/85/21/69/376852169.db2.gz OXISXBBXSZKOIY-WCQYABFASA-N 2 2 262.353 2.160 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630424 285269354 /nfs/dbraw/zinc/26/93/54/285269354.db2.gz YRANKUUYSJNKPK-STQMWFEESA-N 2 2 254.418 2.406 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630424 285269357 /nfs/dbraw/zinc/26/93/57/285269357.db2.gz YRANKUUYSJNKPK-STQMWFEESA-N 2 2 254.418 2.406 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000242548653 256867989 /nfs/dbraw/zinc/86/79/89/256867989.db2.gz LSFFGNMZSQIDQA-NVXWUHKLSA-N 2 2 274.408 2.229 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+]1CCOCC1 ZINC000242548653 256867991 /nfs/dbraw/zinc/86/79/91/256867991.db2.gz LSFFGNMZSQIDQA-NVXWUHKLSA-N 2 2 274.408 2.229 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000094145535 184756900 /nfs/dbraw/zinc/75/69/00/184756900.db2.gz OBSNIJZBECMUEO-AWEZNQCLSA-N 2 2 273.380 2.414 10 0 CEAELP C[NH2+][C@H](Cc1[nH+]ccn1C)Cc1ccc(C)c(C)c1 ZINC000094159677 184757507 /nfs/dbraw/zinc/75/75/07/184757507.db2.gz HQJCWVIVKCQKJH-HNNXBMFYSA-N 2 2 257.381 2.410 10 0 CEAELP Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC000094665992 184837906 /nfs/dbraw/zinc/83/79/06/184837906.db2.gz PACMOYNKNLICLT-CHWSQXEVSA-N 2 2 261.369 2.402 10 0 CEAELP CCc1cc(N2CCCC[C@@H]2[C@@H](C)[NH2+]C)nc(C)[nH+]1 ZINC000088759728 135057057 /nfs/dbraw/zinc/05/70/57/135057057.db2.gz DSKXWOLCHIFXHU-BXUZGUMPSA-N 2 2 262.401 2.314 10 0 CEAELP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089140364 135058181 /nfs/dbraw/zinc/05/81/81/135058181.db2.gz RGCMZWYDBVXJPW-WMLDXEAASA-N 2 2 289.423 2.453 10 0 CEAELP Cc1cc(N2CC[NH+](C3CCCC3)CC2)[nH+]cc1N ZINC000092027293 135075127 /nfs/dbraw/zinc/07/51/27/135075127.db2.gz NBFNJXZVBSJYHZ-UHFFFAOYSA-N 2 2 260.385 2.037 10 0 CEAELP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261743677 394606766 /nfs/dbraw/zinc/60/67/66/394606766.db2.gz MVLDCBSHAYLNMD-CMPLNLGQSA-N 2 2 290.342 2.045 10 0 CEAELP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261743677 394606770 /nfs/dbraw/zinc/60/67/70/394606770.db2.gz MVLDCBSHAYLNMD-CMPLNLGQSA-N 2 2 290.342 2.045 10 0 CEAELP C[NH+](C)C[C@@H](N[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000293880546 395254803 /nfs/dbraw/zinc/25/48/03/395254803.db2.gz FRQIOWRGSLYILW-HUUCEWRRSA-N 2 2 270.380 2.220 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261564885 153761120 /nfs/dbraw/zinc/76/11/20/153761120.db2.gz DJTOWZQEFMHJOM-XHDPSFHLSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c2ccccc2n1 ZINC000261564885 153761123 /nfs/dbraw/zinc/76/11/23/153761123.db2.gz DJTOWZQEFMHJOM-XHDPSFHLSA-N 2 2 255.365 2.322 10 0 CEAELP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000400400972 287051588 /nfs/dbraw/zinc/05/15/88/287051588.db2.gz KRGHFPXBWRNJSW-SCRDCRAPSA-N 2 2 276.380 2.249 10 0 CEAELP [NH3+]C[C@@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000020225415 171089119 /nfs/dbraw/zinc/08/91/19/171089119.db2.gz CVULYMKTEFSIBV-SFHVURJKSA-N 3 2 287.451 2.494 10 0 CEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443777 173211760 /nfs/dbraw/zinc/21/17/60/173211760.db2.gz DNVTZCFPYOLGLB-VIFPVBQESA-N 2 2 261.716 2.182 10 0 CEAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443777 173211762 /nfs/dbraw/zinc/21/17/62/173211762.db2.gz DNVTZCFPYOLGLB-VIFPVBQESA-N 2 2 261.716 2.182 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098047 174111930 /nfs/dbraw/zinc/11/19/30/174111930.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098047 174111931 /nfs/dbraw/zinc/11/19/31/174111931.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 3 2 267.461 2.181 10 0 CEAELP Nc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1O ZINC000040693595 174377329 /nfs/dbraw/zinc/37/73/29/174377329.db2.gz VGRIMUDQIRTZRB-UHFFFAOYSA-N 2 2 289.423 2.425 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693647 174377431 /nfs/dbraw/zinc/37/74/31/174377431.db2.gz KPCPHLOJFRURCN-WBVHZDCISA-N 3 2 279.472 2.454 10 0 CEAELP CC[N@H+](Cc1c(C)nn(C)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748345 174393451 /nfs/dbraw/zinc/39/34/51/174393451.db2.gz YYGAYRGBRVSWTG-FUNVUKJBSA-N 2 2 296.846 2.487 10 0 CEAELP CC[N@@H+](Cc1c(C)nn(C)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748345 174393452 /nfs/dbraw/zinc/39/34/52/174393452.db2.gz YYGAYRGBRVSWTG-FUNVUKJBSA-N 2 2 296.846 2.487 10 0 CEAELP c1cn(CC[NH2+]Cc2nc3ccccc3s2)c[nH+]1 ZINC000042213425 174658918 /nfs/dbraw/zinc/65/89/18/174658918.db2.gz IYWZDGHZBXJWDC-UHFFFAOYSA-N 2 2 258.350 2.283 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042902292 174905669 /nfs/dbraw/zinc/90/56/69/174905669.db2.gz NLRBWJUAJPQNCA-PBHICJAKSA-N 3 2 275.440 2.349 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314611 175004416 /nfs/dbraw/zinc/00/44/16/175004416.db2.gz YJKOBBTZBGRQDA-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cccc(C)c1C)[C@@H](C)COC ZINC000043315023 175004645 /nfs/dbraw/zinc/00/46/45/175004645.db2.gz KQFKOKYMNSULDJ-YOEHRIQHSA-N 2 2 294.439 2.287 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1cccc(C)c1C)[C@@H](C)COC ZINC000043315023 175004646 /nfs/dbraw/zinc/00/46/46/175004646.db2.gz KQFKOKYMNSULDJ-YOEHRIQHSA-N 2 2 294.439 2.287 10 0 CEAELP FC(F)(F)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326674 175008327 /nfs/dbraw/zinc/00/83/27/175008327.db2.gz YPOXULRGTISFJA-OUAUKWLOSA-N 2 2 250.308 2.449 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339601 175013825 /nfs/dbraw/zinc/01/38/25/175013825.db2.gz OCOGPYCCSCFSEF-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339601 175013827 /nfs/dbraw/zinc/01/38/27/175013827.db2.gz OCOGPYCCSCFSEF-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339605 175013979 /nfs/dbraw/zinc/01/39/79/175013979.db2.gz KEQBVOUPOINHEH-DOTOQJQBSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339605 175013980 /nfs/dbraw/zinc/01/39/80/175013980.db2.gz KEQBVOUPOINHEH-DOTOQJQBSA-N 2 2 284.407 2.430 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345939 175016738 /nfs/dbraw/zinc/01/67/38/175016738.db2.gz NQOWNKNKLCPIRN-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345939 175016740 /nfs/dbraw/zinc/01/67/40/175016740.db2.gz NQOWNKNKLCPIRN-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347082 175017699 /nfs/dbraw/zinc/01/76/99/175017699.db2.gz GQLMYMVAWNWVFO-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347082 175017701 /nfs/dbraw/zinc/01/77/01/175017701.db2.gz GQLMYMVAWNWVFO-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043347948 175018013 /nfs/dbraw/zinc/01/80/13/175018013.db2.gz JNTTZIKYCURXJZ-SJORKVTESA-N 3 2 290.455 2.134 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)[C@@H]2CCSC2)o1 ZINC000043364091 175024694 /nfs/dbraw/zinc/02/46/94/175024694.db2.gz QTPMFVAMHOSKCS-WZRBSPASSA-N 2 2 254.399 2.414 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000043364091 175024695 /nfs/dbraw/zinc/02/46/95/175024695.db2.gz QTPMFVAMHOSKCS-WZRBSPASSA-N 2 2 254.399 2.414 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818914 175113973 /nfs/dbraw/zinc/11/39/73/175113973.db2.gz NLDXYYXTQNAOCL-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818914 175113974 /nfs/dbraw/zinc/11/39/74/175113974.db2.gz NLDXYYXTQNAOCL-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896074 175119377 /nfs/dbraw/zinc/11/93/77/175119377.db2.gz BQTSUYDRHUTOJP-LSDHHAIUSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896074 175119378 /nfs/dbraw/zinc/11/93/78/175119378.db2.gz BQTSUYDRHUTOJP-LSDHHAIUSA-N 2 2 284.444 2.381 10 0 CEAELP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)[NH+](CCOC)CCOC ZINC000043912619 175124600 /nfs/dbraw/zinc/12/46/00/175124600.db2.gz NMMALRXACVVSDY-SJORKVTESA-N 2 2 294.439 2.321 10 0 CEAELP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)[N@H+](C)CCOC ZINC000043915576 175125137 /nfs/dbraw/zinc/12/51/37/175125137.db2.gz NAJQJODMXCLSKK-GJZGRUSLSA-N 2 2 250.386 2.304 10 0 CEAELP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)[N@@H+](C)CCOC ZINC000043915576 175125138 /nfs/dbraw/zinc/12/51/38/175125138.db2.gz NAJQJODMXCLSKK-GJZGRUSLSA-N 2 2 250.386 2.304 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043965802 175127333 /nfs/dbraw/zinc/12/73/33/175127333.db2.gz ZSFMCUNNJPGJIQ-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965802 175127334 /nfs/dbraw/zinc/12/73/34/175127334.db2.gz ZSFMCUNNJPGJIQ-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966912 175127834 /nfs/dbraw/zinc/12/78/34/175127834.db2.gz RQYSYQBHSLASBH-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966912 175127835 /nfs/dbraw/zinc/12/78/35/175127835.db2.gz RQYSYQBHSLASBH-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2cc(C)no2)C[C@@H]1C ZINC000044994967 175287170 /nfs/dbraw/zinc/28/71/70/175287170.db2.gz IYUXDHIPDQPWNH-SMDDNHRTSA-N 2 2 251.374 2.193 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)no2)C[C@@H]1C ZINC000044994967 175287172 /nfs/dbraw/zinc/28/71/72/175287172.db2.gz IYUXDHIPDQPWNH-SMDDNHRTSA-N 2 2 251.374 2.193 10 0 CEAELP Cn1cc[nH+]c1CCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000045136002 175313480 /nfs/dbraw/zinc/31/34/80/175313480.db2.gz DUWOSBXYCNMPKO-UHFFFAOYSA-N 2 2 275.743 2.248 10 0 CEAELP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045172912 175322583 /nfs/dbraw/zinc/32/25/83/175322583.db2.gz BBVOYWHGRDGDOX-GFCCVEGCSA-N 2 2 275.400 2.364 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378009 175367540 /nfs/dbraw/zinc/36/75/40/175367540.db2.gz QEIHCTPZWSASLC-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378009 175367541 /nfs/dbraw/zinc/36/75/41/175367541.db2.gz QEIHCTPZWSASLC-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1OCCc2ccccc21 ZINC000071099240 176033230 /nfs/dbraw/zinc/03/32/30/176033230.db2.gz JPUCSVTXMAMGGX-WFASDCNBSA-N 2 2 271.364 2.087 10 0 CEAELP C[N@H+](CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071191261 176069344 /nfs/dbraw/zinc/06/93/44/176069344.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[N@@H+](CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071191261 176069347 /nfs/dbraw/zinc/06/93/47/176069347.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071191261 176069348 /nfs/dbraw/zinc/06/93/48/176069348.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191261 176069349 /nfs/dbraw/zinc/06/93/49/176069349.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191410 176070439 /nfs/dbraw/zinc/07/04/39/176070439.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191410 176070441 /nfs/dbraw/zinc/07/04/41/176070441.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071191410 176070443 /nfs/dbraw/zinc/07/04/43/176070443.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccc([C@H]([NH3+])CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071191410 176070444 /nfs/dbraw/zinc/07/04/44/176070444.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 3 2 275.440 2.268 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192076 176073893 /nfs/dbraw/zinc/07/38/93/176073893.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192076 176073895 /nfs/dbraw/zinc/07/38/95/176073895.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192076 176073896 /nfs/dbraw/zinc/07/38/96/176073896.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192076 176073898 /nfs/dbraw/zinc/07/38/98/176073898.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP CCC[NH2+][C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC000071200992 176077460 /nfs/dbraw/zinc/07/74/60/176077460.db2.gz PBURYSWRFYTFNG-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[NH2+][C@@H]1CCC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC000071200992 176077461 /nfs/dbraw/zinc/07/74/61/176077461.db2.gz PBURYSWRFYTFNG-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[NH2+][C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC000071200993 176077840 /nfs/dbraw/zinc/07/78/40/176077840.db2.gz PBURYSWRFYTFNG-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[NH2+][C@H]1CCC[N@@H+](CC2CC[NH+](CC)CC2)C1 ZINC000071200993 176077841 /nfs/dbraw/zinc/07/78/41/176077841.db2.gz PBURYSWRFYTFNG-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CC[N@H+](C)C(C)C ZINC000071297328 176111996 /nfs/dbraw/zinc/11/19/96/176111996.db2.gz SKVALYXDSQINDG-UHFFFAOYSA-N 2 2 258.406 2.040 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CC[N@@H+](C)C(C)C ZINC000071297328 176111997 /nfs/dbraw/zinc/11/19/97/176111997.db2.gz SKVALYXDSQINDG-UHFFFAOYSA-N 2 2 258.406 2.040 10 0 CEAELP CC(C)[C@H]1CN(CCCn2cc[nH+]c2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071342119 176130413 /nfs/dbraw/zinc/13/04/13/176130413.db2.gz WIFVGCNHPKRHRE-IAGOWNOFSA-N 2 2 290.455 2.372 10 0 CEAELP CC[C@H]1CN(CCn2cc[nH+]c2C)C(CC)(CC)C[NH2+]1 ZINC000071345090 176131669 /nfs/dbraw/zinc/13/16/69/176131669.db2.gz HGOAMDBUKCJARD-HNNXBMFYSA-N 2 2 278.444 2.434 10 0 CEAELP CC[C@]1(C)CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358092 176138100 /nfs/dbraw/zinc/13/81/00/176138100.db2.gz YWRONTJWPLVIKD-IAGOWNOFSA-N 2 2 290.455 2.434 10 0 CEAELP C[N@H+](CCn1c[nH+]c2cc(N)ccc21)C1CCCC1 ZINC000071379262 176143329 /nfs/dbraw/zinc/14/33/29/176143329.db2.gz ZUCJGUHZZXDRMO-UHFFFAOYSA-N 2 2 258.369 2.493 10 0 CEAELP C[N@@H+](CCn1c[nH+]c2cc(N)ccc21)C1CCCC1 ZINC000071379262 176143331 /nfs/dbraw/zinc/14/33/31/176143331.db2.gz ZUCJGUHZZXDRMO-UHFFFAOYSA-N 2 2 258.369 2.493 10 0 CEAELP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000136327227 419443841 /nfs/dbraw/zinc/44/38/41/419443841.db2.gz DQFRVFUVEBGYSJ-AWEZNQCLSA-N 2 2 272.352 2.184 10 0 CEAELP CC[N@H+](CCCNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431730 419447576 /nfs/dbraw/zinc/44/75/76/419447576.db2.gz DNFQXUWITWGZOP-MRXNPFEDSA-N 2 2 291.439 2.393 10 0 CEAELP CC[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000136431730 419447587 /nfs/dbraw/zinc/44/75/87/419447587.db2.gz DNFQXUWITWGZOP-MRXNPFEDSA-N 2 2 291.439 2.393 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247657332 280337148 /nfs/dbraw/zinc/33/71/48/280337148.db2.gz XJBKCBLNYMDIMY-KGLIPLIRSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247657332 280337149 /nfs/dbraw/zinc/33/71/49/280337149.db2.gz XJBKCBLNYMDIMY-KGLIPLIRSA-N 2 2 297.443 2.070 10 0 CEAELP CCNc1ncccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052717060 520376568 /nfs/dbraw/zinc/37/65/68/520376568.db2.gz PWKUVWRMELJDSH-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1ncccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052717060 520376576 /nfs/dbraw/zinc/37/65/76/520376576.db2.gz PWKUVWRMELJDSH-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507104 519794871 /nfs/dbraw/zinc/79/48/71/519794871.db2.gz FQQZSJVWFXDOIL-LSDHHAIUSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507104 519794872 /nfs/dbraw/zinc/79/48/72/519794872.db2.gz FQQZSJVWFXDOIL-LSDHHAIUSA-N 2 2 254.418 2.264 10 0 CEAELP CCCC1CC[NH+]([C@@H]2COCC[C@H]2[NH2+]CC)CC1 ZINC000050893605 519903442 /nfs/dbraw/zinc/90/34/42/519903442.db2.gz FLHMGBJRXROFTB-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503878 519937310 /nfs/dbraw/zinc/93/73/10/519937310.db2.gz QMLWBZZHMVCEOK-KGLIPLIRSA-N 2 2 283.441 2.122 10 0 CEAELP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503878 519937316 /nfs/dbraw/zinc/93/73/16/519937316.db2.gz QMLWBZZHMVCEOK-KGLIPLIRSA-N 2 2 283.441 2.122 10 0 CEAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418197 519943775 /nfs/dbraw/zinc/94/37/75/519943775.db2.gz ZORHBZJCCXFQOB-CQSZACIVSA-N 2 2 279.403 2.193 10 0 CEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069288338 519987289 /nfs/dbraw/zinc/98/72/89/519987289.db2.gz NZKSXJNBJLGWDM-ZFWWWQNUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069288338 519987298 /nfs/dbraw/zinc/98/72/98/519987298.db2.gz NZKSXJNBJLGWDM-ZFWWWQNUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819887 520025491 /nfs/dbraw/zinc/02/54/91/520025491.db2.gz STWPXFPDMVMQDY-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH+](CC)[C@H](C[NH2+]CCCC(=O)NC)c1ccccc1 ZINC000068817610 520865883 /nfs/dbraw/zinc/86/58/83/520865883.db2.gz PFHKXYMTZNPGPP-MRXNPFEDSA-N 2 2 291.439 2.185 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@@H](C)n1cc[nH+]c1CC)[NH2+]C1CC1 ZINC000068649452 521149754 /nfs/dbraw/zinc/14/97/54/521149754.db2.gz ZYKFLTBITDYKFR-MLGOLLRUSA-N 2 2 293.411 2.470 10 0 CEAELP CCOC(=O)[C@](C)(C[C@H](C)n1cc[nH+]c1CC)[NH2+]C1CC1 ZINC000068649441 521323693 /nfs/dbraw/zinc/32/36/93/521323693.db2.gz ZYKFLTBITDYKFR-LRDDRELGSA-N 2 2 293.411 2.470 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]C)C(=O)OCC ZINC000068650335 521554021 /nfs/dbraw/zinc/55/40/21/521554021.db2.gz PJCLDQMTAKWWLD-DOMZBBRYSA-N 2 2 281.400 2.328 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]CC)C(=O)OC ZINC000068650256 521555574 /nfs/dbraw/zinc/55/55/74/521555574.db2.gz JLLXPPHINRZJNL-WFASDCNBSA-N 2 2 281.400 2.328 10 0 CEAELP CCC(CC)[C@@H](CNCc1[nH]c[nH+]c1C)[NH+](C)C ZINC000054794382 521604629 /nfs/dbraw/zinc/60/46/29/521604629.db2.gz PZASEONCNSOHCA-CQSZACIVSA-N 2 2 252.406 2.174 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000052810880 521831168 /nfs/dbraw/zinc/83/11/68/521831168.db2.gz GNCJTENAJBUFEV-LLVKDONJSA-N 2 2 254.399 2.076 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000052810880 521831161 /nfs/dbraw/zinc/83/11/61/521831161.db2.gz GNCJTENAJBUFEV-LLVKDONJSA-N 2 2 254.399 2.076 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423654 522064477 /nfs/dbraw/zinc/06/44/77/522064477.db2.gz SYLBIQAGBQRBRB-QGZVFWFLSA-N 2 2 291.439 2.061 10 0 CEAELP C[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443380 522070599 /nfs/dbraw/zinc/07/05/99/522070599.db2.gz ZYBPSKXPUMXNHJ-ZDUSSCGKSA-N 2 2 281.831 2.318 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@@](C)([NH2+]C)C(N)=O ZINC000068650219 522504996 /nfs/dbraw/zinc/50/49/96/522504996.db2.gz RRFKXJGTTPNYAL-MEDUHNTESA-N 2 2 288.395 2.013 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000062803074 522646679 /nfs/dbraw/zinc/64/66/79/522646679.db2.gz GLPLFGAUULLYSC-CYBMUJFWSA-N 3 2 288.395 2.232 10 0 CEAELP CC[C@H]1COCC[N@@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052481434 523335166 /nfs/dbraw/zinc/33/51/66/523335166.db2.gz GIVISFBLKXNPDG-AWEZNQCLSA-N 2 2 264.369 2.142 10 0 CEAELP CC[C@H]1COCC[N@H+]1Cc1occc1C[NH2+]C1CC1 ZINC000052481434 523335180 /nfs/dbraw/zinc/33/51/80/523335180.db2.gz GIVISFBLKXNPDG-AWEZNQCLSA-N 2 2 264.369 2.142 10 0 CEAELP CCn1cc(C[N@H+](C)C2(C[NH3+])CCCCCC2)cn1 ZINC000050539266 523365362 /nfs/dbraw/zinc/36/53/62/523365362.db2.gz RRPFLAMOFIIXQM-UHFFFAOYSA-N 2 2 264.417 2.387 10 0 CEAELP CCn1cc(C[N@@H+](C)C2(C[NH3+])CCCCCC2)cn1 ZINC000050539266 523365369 /nfs/dbraw/zinc/36/53/69/523365369.db2.gz RRPFLAMOFIIXQM-UHFFFAOYSA-N 2 2 264.417 2.387 10 0 CEAELP CCn1cc[nH+]c1Cn1nc(C)c(C[NH2+]C2CC2)c1C ZINC000054743860 523548492 /nfs/dbraw/zinc/54/84/92/523548492.db2.gz FNLNEZQNQOFPIN-UHFFFAOYSA-N 2 2 273.384 2.017 10 0 CEAELP CN(Cc1[nH+]ccn1C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811993 523593810 /nfs/dbraw/zinc/59/38/10/523593810.db2.gz FYEUWVHDPLOCCM-ZDUSSCGKSA-N 2 2 284.363 2.298 10 0 CEAELP Cc1cccc(N(CCC[NH3+])c2cc[nH+]c(N(C)C)n2)c1 ZINC000068689991 524525431 /nfs/dbraw/zinc/52/54/31/524525431.db2.gz YHDITKXWYBVHQZ-UHFFFAOYSA-N 2 2 285.395 2.338 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(F)c1F ZINC000062802884 525002076 /nfs/dbraw/zinc/00/20/76/525002076.db2.gz ITQPUYUWFFCMRP-SECBINFHSA-N 2 2 251.280 2.099 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388778 525382297 /nfs/dbraw/zinc/38/22/97/525382297.db2.gz BSHJGCCUDDTGDN-GXTWGEPZSA-N 2 2 297.830 2.232 10 0 CEAELP Cc1cc2[nH+]cn(C[C@H]3CC[C@H](C[NH3+])O3)c2cc1C ZINC000052575662 525685981 /nfs/dbraw/zinc/68/59/81/525685981.db2.gz GEEFYBSPVAVEHU-CHWSQXEVSA-N 2 2 259.353 2.159 10 0 CEAELP Cc1nc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cs1 ZINC000054602586 526874580 /nfs/dbraw/zinc/87/45/80/526874580.db2.gz SOARFAWYAWNVCI-VGPLMAKISA-N 2 2 251.399 2.296 10 0 CEAELP Cc1nc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cs1 ZINC000054602586 526874584 /nfs/dbraw/zinc/87/45/84/526874584.db2.gz SOARFAWYAWNVCI-VGPLMAKISA-N 2 2 251.399 2.296 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccccc1Br ZINC000052304070 527199086 /nfs/dbraw/zinc/19/90/86/527199086.db2.gz ARNLIVCYULSJHF-UHFFFAOYSA-N 2 2 280.169 2.195 10 0 CEAELP [NH3+]C[C@@H](c1cc2ccccc2o1)N1CCn2cc[nH+]c2C1 ZINC000068811985 527206075 /nfs/dbraw/zinc/20/60/75/527206075.db2.gz XRRGSOTTXZBQKL-ZDUSSCGKSA-N 2 2 282.347 2.145 10 0 CEAELP [NH3+]C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757440 527230569 /nfs/dbraw/zinc/23/05/69/527230569.db2.gz GCQSIAAJJDSPLO-HUUCEWRRSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757440 527230572 /nfs/dbraw/zinc/23/05/72/527230572.db2.gz GCQSIAAJJDSPLO-HUUCEWRRSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@]1([N@H+](Cc2ccco2)C2CC2)CCCSC1 ZINC000061590250 527243228 /nfs/dbraw/zinc/24/32/28/527243228.db2.gz PPIBAXHLZWQNOA-CQSZACIVSA-N 2 2 266.410 2.469 10 0 CEAELP [NH3+]C[C@]1([N@@H+](Cc2ccco2)C2CC2)CCCSC1 ZINC000061590250 527243234 /nfs/dbraw/zinc/24/32/34/527243234.db2.gz PPIBAXHLZWQNOA-CQSZACIVSA-N 2 2 266.410 2.469 10 0 CEAELP Cc1ncc(C[NH2+]C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538894 527271730 /nfs/dbraw/zinc/27/17/30/527271730.db2.gz YWAGBLRRUAMIKH-DYEKYZERSA-N 2 2 265.426 2.462 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235644948 625684548 /nfs/dbraw/zinc/68/45/48/625684548.db2.gz FXHNTSXFTXIBBA-CABZTGNLSA-N 2 2 258.287 2.484 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235644948 625684549 /nfs/dbraw/zinc/68/45/49/625684549.db2.gz FXHNTSXFTXIBBA-CABZTGNLSA-N 2 2 258.287 2.484 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)n1 ZINC000320511466 630827438 /nfs/dbraw/zinc/82/74/38/630827438.db2.gz WENPKXRTGGBFKP-GFCCVEGCSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)n1 ZINC000320511466 630827445 /nfs/dbraw/zinc/82/74/45/630827445.db2.gz WENPKXRTGGBFKP-GFCCVEGCSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000320511466 630827454 /nfs/dbraw/zinc/82/74/54/630827454.db2.gz WENPKXRTGGBFKP-GFCCVEGCSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc(Cl)n1 ZINC000320511466 630827466 /nfs/dbraw/zinc/82/74/66/630827466.db2.gz WENPKXRTGGBFKP-GFCCVEGCSA-N 2 2 267.804 2.427 10 0 CEAELP CCC[C@H](C)C[NH+]1CCC(n2cc(C[NH+](C)C)nn2)CC1 ZINC000055088946 639339876 /nfs/dbraw/zinc/33/98/76/639339876.db2.gz RDYTUHYHLNWQID-AWEZNQCLSA-N 2 2 293.459 2.413 10 0 CEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000388701609 642620850 /nfs/dbraw/zinc/62/08/50/642620850.db2.gz HGQSIZXZHPSRRX-LVQVYYBASA-N 2 2 266.429 2.096 10 0 CEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000388701609 642620851 /nfs/dbraw/zinc/62/08/51/642620851.db2.gz HGQSIZXZHPSRRX-LVQVYYBASA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000388701609 642620854 /nfs/dbraw/zinc/62/08/54/642620854.db2.gz HGQSIZXZHPSRRX-LVQVYYBASA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[C@@H](O)C1 ZINC000388701609 642620858 /nfs/dbraw/zinc/62/08/58/642620858.db2.gz HGQSIZXZHPSRRX-LVQVYYBASA-N 2 2 266.429 2.096 10 0 CEAELP CCC1CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000133903909 652743109 /nfs/dbraw/zinc/74/31/09/652743109.db2.gz OOKFZPVYIFYHBV-URGYJCLVSA-N 2 2 254.418 2.312 10 0 CEAELP C[C@@H](c1cccs1)n1c[nH+]cc1[C@@H]1C[NH2+]CCO1 ZINC000097014794 185151958 /nfs/dbraw/zinc/15/19/58/185151958.db2.gz MOQRRDQPWNDSGO-JQWIXIFHSA-N 2 2 263.366 2.215 10 0 CEAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873897 344547736 /nfs/dbraw/zinc/54/77/36/344547736.db2.gz IZMCMZQESIQXER-XHSDSOJGSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@@H]1CCCCO1 ZINC000225873897 344547738 /nfs/dbraw/zinc/54/77/38/344547738.db2.gz IZMCMZQESIQXER-XHSDSOJGSA-N 2 2 260.381 2.015 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)C[C@@H]3CCC[NH2+]C3)cc2[nH+]1 ZINC000054307347 362525394 /nfs/dbraw/zinc/52/53/94/362525394.db2.gz QBRIEWOGOFUOEN-NSHDSACASA-N 2 2 272.352 2.200 10 0 CEAELP CCC[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466327 179072007 /nfs/dbraw/zinc/07/20/07/179072007.db2.gz GEIZAURSORMQPI-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466327 179072009 /nfs/dbraw/zinc/07/20/09/179072009.db2.gz GEIZAURSORMQPI-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085511459 179085250 /nfs/dbraw/zinc/08/52/50/179085250.db2.gz GXIGKLQKPVPWTQ-DLBZAZTESA-N 2 2 290.455 2.434 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000085515783 179087790 /nfs/dbraw/zinc/08/77/90/179087790.db2.gz YSOBKANGJRUXTD-MRXNPFEDSA-N 2 2 288.439 2.270 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](CCn2cccn2)C2(CCCC2)C[NH2+]1 ZINC000085515783 179087793 /nfs/dbraw/zinc/08/77/93/179087793.db2.gz YSOBKANGJRUXTD-MRXNPFEDSA-N 2 2 288.439 2.270 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085522955 179088627 /nfs/dbraw/zinc/08/86/27/179088627.db2.gz GVQXRBYPMOACTO-JKSUJKDBSA-N 2 2 284.407 2.297 10 0 CEAELP CCC1(CC)CN(CCn2cc[nH+]c2C)[C@H](C2CC2)C[NH2+]1 ZINC000085519111 179088076 /nfs/dbraw/zinc/08/80/76/179088076.db2.gz NSLADRPGZCDBRW-INIZCTEOSA-N 2 2 290.455 2.434 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498978 179083013 /nfs/dbraw/zinc/08/30/13/179083013.db2.gz BEIBPVCFMIUUNZ-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498978 179083015 /nfs/dbraw/zinc/08/30/15/179083015.db2.gz BEIBPVCFMIUUNZ-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@]1(C)C[N@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085497070 179083216 /nfs/dbraw/zinc/08/32/16/179083216.db2.gz LRYWBOKAOROUGQ-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[N@@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085497070 179083218 /nfs/dbraw/zinc/08/32/18/179083218.db2.gz LRYWBOKAOROUGQ-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498648 179083688 /nfs/dbraw/zinc/08/36/88/179083688.db2.gz CBWBOGHBXSSEEI-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498648 179083690 /nfs/dbraw/zinc/08/36/90/179083690.db2.gz CBWBOGHBXSSEEI-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[NH+](CC)c1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000085567392 179095346 /nfs/dbraw/zinc/09/53/46/179095346.db2.gz DTZXJDBKPCAJOQ-UHFFFAOYSA-N 2 2 270.380 2.364 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000085626981 179107065 /nfs/dbraw/zinc/10/70/65/179107065.db2.gz MVMRUIGOEOLGKX-XJKSGUPXSA-N 2 2 284.407 2.297 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1Cc1cn2ccccc2n1 ZINC000085626981 179107068 /nfs/dbraw/zinc/10/70/68/179107068.db2.gz MVMRUIGOEOLGKX-XJKSGUPXSA-N 2 2 284.407 2.297 10 0 CEAELP c1c(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)nc2ccccn12 ZINC000085612768 179102553 /nfs/dbraw/zinc/10/25/53/179102553.db2.gz OPHXUYBQMZHOSS-UHFFFAOYSA-N 2 2 284.407 2.442 10 0 CEAELP c1c(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)nc2ccccn12 ZINC000085612768 179102554 /nfs/dbraw/zinc/10/25/54/179102554.db2.gz OPHXUYBQMZHOSS-UHFFFAOYSA-N 2 2 284.407 2.442 10 0 CEAELP CC(C)(C)[C@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085614026 179102793 /nfs/dbraw/zinc/10/27/93/179102793.db2.gz GUGJYVRVSQRZMC-CQSZACIVSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)(C)[C@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085614026 179102795 /nfs/dbraw/zinc/10/27/95/179102795.db2.gz GUGJYVRVSQRZMC-CQSZACIVSA-N 2 2 254.418 2.123 10 0 CEAELP CCn1cc(C[N@@H+]2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618305 179103694 /nfs/dbraw/zinc/10/36/94/179103694.db2.gz OVSGLCVWBURZDU-ZFWWWQNUSA-N 2 2 264.417 2.111 10 0 CEAELP CCn1cc(C[N@H+]2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618305 179103695 /nfs/dbraw/zinc/10/36/95/179103695.db2.gz OVSGLCVWBURZDU-ZFWWWQNUSA-N 2 2 264.417 2.111 10 0 CEAELP CC1CC[NH+](CC[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636562 179109704 /nfs/dbraw/zinc/10/97/04/179109704.db2.gz XACYPVLNWJVNJL-ILXRZTDVSA-N 2 2 266.429 2.121 10 0 CEAELP CC(C)CC[C@](C)(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000019505578 136577739 /nfs/dbraw/zinc/57/77/39/136577739.db2.gz DKJDSJVMOPOMDP-QGZVFWFLSA-N 2 2 290.455 2.357 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccc(Br)cc1F ZINC000085798476 179172873 /nfs/dbraw/zinc/17/28/73/179172873.db2.gz CCDYBMYTWQAZGZ-JTQLQIEISA-N 2 2 275.165 2.020 10 0 CEAELP Cc1[nH]c(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c[nH+]1 ZINC000065385670 362815513 /nfs/dbraw/zinc/81/55/13/362815513.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]c(CN(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c[nH+]1 ZINC000065385670 362815518 /nfs/dbraw/zinc/81/55/18/362815518.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]cc(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)[nH+]1 ZINC000065385670 362815520 /nfs/dbraw/zinc/81/55/20/362815520.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]cc(CN(C)C[C@H]2Cc3ccccc3C[N@H+]2C)[nH+]1 ZINC000065385670 362815523 /nfs/dbraw/zinc/81/55/23/362815523.db2.gz DGAFLTHJOFDPEM-QGZVFWFLSA-N 2 2 284.407 2.207 10 0 CEAELP COC[C@H](C)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000086180047 179247139 /nfs/dbraw/zinc/24/71/39/179247139.db2.gz YQAWYHIHQJUHDD-UONOGXRCSA-N 2 2 254.418 2.264 10 0 CEAELP COC[C@H](C)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000086180047 179247141 /nfs/dbraw/zinc/24/71/41/179247141.db2.gz YQAWYHIHQJUHDD-UONOGXRCSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218150 179249998 /nfs/dbraw/zinc/24/99/98/179249998.db2.gz ZUSWIOOPVOVQKD-TUUVXOQKSA-N 2 2 266.429 2.406 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218150 179250000 /nfs/dbraw/zinc/25/00/00/179250000.db2.gz ZUSWIOOPVOVQKD-TUUVXOQKSA-N 2 2 266.429 2.406 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc(Cl)cs1 ZINC000086332556 179273822 /nfs/dbraw/zinc/27/38/22/179273822.db2.gz SBPJPWRNLRTEAQ-UHFFFAOYSA-N 2 2 255.774 2.467 10 0 CEAELP CCn1c(C[NH2+]CCc2c[nH]c[nH+]2)nc2ccccc21 ZINC000086507181 179303426 /nfs/dbraw/zinc/30/34/26/179303426.db2.gz PUEJFWUZNDQNEV-UHFFFAOYSA-N 2 2 269.352 2.112 10 0 CEAELP CCn1c(C[NH2+]CCc2c[nH+]c[nH]2)nc2ccccc21 ZINC000086507181 179303429 /nfs/dbraw/zinc/30/34/29/179303429.db2.gz PUEJFWUZNDQNEV-UHFFFAOYSA-N 2 2 269.352 2.112 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])(OCCCn2cc[nH+]c2)C1 ZINC000086713016 179322892 /nfs/dbraw/zinc/32/28/92/179322892.db2.gz CONJNJPIQOJOQM-UONOGXRCSA-N 2 2 251.374 2.197 10 0 CEAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000128695745 187384717 /nfs/dbraw/zinc/38/47/17/187384717.db2.gz YOACEURTUHMIIS-IMJJTQAJSA-N 2 2 262.397 2.304 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838193 179351038 /nfs/dbraw/zinc/35/10/38/179351038.db2.gz YJMOMLYSFXLSTQ-UONOGXRCSA-N 2 2 287.411 2.254 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838193 179351040 /nfs/dbraw/zinc/35/10/40/179351040.db2.gz YJMOMLYSFXLSTQ-UONOGXRCSA-N 2 2 287.411 2.254 10 0 CEAELP Cc1nccc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)n1 ZINC000086842070 179352961 /nfs/dbraw/zinc/35/29/61/179352961.db2.gz LFLJDZJHXPURNU-CQSZACIVSA-N 2 2 262.401 2.138 10 0 CEAELP Cc1nccc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)n1 ZINC000086842070 179352965 /nfs/dbraw/zinc/35/29/65/179352965.db2.gz LFLJDZJHXPURNU-CQSZACIVSA-N 2 2 262.401 2.138 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)CC1 ZINC000086890719 179366277 /nfs/dbraw/zinc/36/62/77/179366277.db2.gz VXFAWBSEPOKRMW-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC(C)(C)C2)CC1 ZINC000086890719 179366278 /nfs/dbraw/zinc/36/62/78/179366278.db2.gz VXFAWBSEPOKRMW-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCOCC2)CC1 ZINC000086890730 179366284 /nfs/dbraw/zinc/36/62/84/179366284.db2.gz YGKWXFAMCOSQAT-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCOCC2)CC1 ZINC000086890730 179366286 /nfs/dbraw/zinc/36/62/86/179366286.db2.gz YGKWXFAMCOSQAT-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP COC[C@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511276 522596816 /nfs/dbraw/zinc/59/68/16/522596816.db2.gz AOZFJWHGRPYAFI-NSHDSACASA-N 2 2 285.457 2.498 10 0 CEAELP COC[C@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511276 522596823 /nfs/dbraw/zinc/59/68/23/522596823.db2.gz AOZFJWHGRPYAFI-NSHDSACASA-N 2 2 285.457 2.498 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000087928629 179523797 /nfs/dbraw/zinc/52/37/97/179523797.db2.gz BBNKXBHXIHBBKZ-AAEUAGOBSA-N 2 2 284.787 2.117 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C)O2 ZINC000090897796 180057184 /nfs/dbraw/zinc/05/71/84/180057184.db2.gz PIOOAYBJVAQCJE-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C)O2 ZINC000090897796 180057186 /nfs/dbraw/zinc/05/71/86/180057186.db2.gz PIOOAYBJVAQCJE-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP CC(=O)Nc1ccsc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000090960538 180075315 /nfs/dbraw/zinc/07/53/15/180075315.db2.gz CQAWPXYANOUQKZ-UHFFFAOYSA-N 2 2 292.408 2.473 10 0 CEAELP Nc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000090961939 180076114 /nfs/dbraw/zinc/07/61/14/180076114.db2.gz DCGGDHLBLQQWJY-CABCVRRESA-N 2 2 256.353 2.349 10 0 CEAELP CC[NH2+]Cc1ccn(Cc2[nH+]ccn2C(F)F)c1 ZINC000091003292 180084232 /nfs/dbraw/zinc/08/42/32/180084232.db2.gz VHUMDXCYYPJFLK-UHFFFAOYSA-N 2 2 254.284 2.238 10 0 CEAELP CCNC(=O)C[C@@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316433 180133521 /nfs/dbraw/zinc/13/35/21/180133521.db2.gz WCTCUUKAQDXTCX-FZMZJTMJSA-N 2 2 297.830 2.186 10 0 CEAELP CCNC(=O)C[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316433 180133524 /nfs/dbraw/zinc/13/35/24/180133524.db2.gz WCTCUUKAQDXTCX-FZMZJTMJSA-N 2 2 297.830 2.186 10 0 CEAELP C[NH2+]C[C@@H]1CCCCN1Cc1c[nH+]cn1C(C)C ZINC000091272987 180118237 /nfs/dbraw/zinc/11/82/37/180118237.db2.gz XZAJQZVDMBWNTG-ZDUSSCGKSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)(C)N1C(=O)CC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275545 180118526 /nfs/dbraw/zinc/11/85/26/180118526.db2.gz VTRFWJPVOIIDSM-FZMZJTMJSA-N 2 2 276.384 2.007 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275397 180118749 /nfs/dbraw/zinc/11/87/49/180118749.db2.gz CIRGXZVVJWHOHX-WFASDCNBSA-N 2 2 262.401 2.210 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275397 180118750 /nfs/dbraw/zinc/11/87/50/180118750.db2.gz CIRGXZVVJWHOHX-WFASDCNBSA-N 2 2 262.401 2.210 10 0 CEAELP C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276177 180119030 /nfs/dbraw/zinc/11/90/30/180119030.db2.gz DUBNAFMBSHIGJP-BZPMIXESSA-N 2 2 262.401 2.196 10 0 CEAELP C[C@@H]1CC[C@H](C)N([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276678 180119563 /nfs/dbraw/zinc/11/95/63/180119563.db2.gz NBYDAZBTMHNWER-DYEKYZERSA-N 2 2 262.401 2.338 10 0 CEAELP CC[C@H](C)CN(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276240 180119780 /nfs/dbraw/zinc/11/97/80/180119780.db2.gz QKZVQODYIMYQGN-AAEUAGOBSA-N 2 2 250.390 2.196 10 0 CEAELP O[C@@H](c1c[nH+]cn1C1CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000091277386 180119939 /nfs/dbraw/zinc/11/99/39/180119939.db2.gz QCUBQQYUUYPSST-HOTGVXAUSA-N 2 2 269.348 2.138 10 0 CEAELP CCC(CC)N(CCOC)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276435 180120394 /nfs/dbraw/zinc/12/03/94/180120394.db2.gz MLAZXQZHSLJGQA-HNNXBMFYSA-N 2 2 294.443 2.355 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(C[NH3+])cc1Cl ZINC000091278387 180121126 /nfs/dbraw/zinc/12/11/26/180121126.db2.gz HGFCBAUILGOCKF-UHFFFAOYSA-N 2 2 251.717 2.111 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461007 180161493 /nfs/dbraw/zinc/16/14/93/180161493.db2.gz JDPKNEFDXHGJDJ-WXUJTKTDSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461007 180161494 /nfs/dbraw/zinc/16/14/94/180161494.db2.gz JDPKNEFDXHGJDJ-WXUJTKTDSA-N 2 2 282.815 2.431 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])C1CCOCC1)[NH+]1CCCCC1 ZINC000091608956 180205358 /nfs/dbraw/zinc/20/53/58/180205358.db2.gz BPRZZOZNOAWIOL-LSDHHAIUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(CC)(CC)[NH+](C)C ZINC000091614654 180207881 /nfs/dbraw/zinc/20/78/81/180207881.db2.gz RFAGDUZQXXQJDF-CQSZACIVSA-N 3 2 278.444 2.305 10 0 CEAELP CCc1nn(C)c(C[C@H]([NH2+]C)C(C)(C)[NH+](C)C)c1Cl ZINC000091528646 180180227 /nfs/dbraw/zinc/18/02/27/180180227.db2.gz AXHGPYMKWYHGQO-LBPRGKRZSA-N 2 2 286.851 2.107 10 0 CEAELP CCC[NH2+][C@@H](Cc1cnn(CC)c1)C(C)(C)[NH+](C)C ZINC000091529398 180180357 /nfs/dbraw/zinc/18/03/57/180180357.db2.gz AOJHCSWKAWSBQR-AWEZNQCLSA-N 2 2 266.433 2.154 10 0 CEAELP CCn1nc(C[C@H]([NH3+])C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528509 180180692 /nfs/dbraw/zinc/18/06/92/180180692.db2.gz AYNIRRVGEGGPDX-HNNXBMFYSA-N 2 2 274.412 2.266 10 0 CEAELP CCC(CC)([C@H]([NH3+])Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634758 180211003 /nfs/dbraw/zinc/21/10/03/180211003.db2.gz JGPRPMJRPNZZFH-OAHLLOKOSA-N 3 2 276.428 2.188 10 0 CEAELP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCC1 ZINC000091638301 180212271 /nfs/dbraw/zinc/21/22/71/180212271.db2.gz JTSCWUKCDVIQCO-INIZCTEOSA-N 3 2 290.455 2.449 10 0 CEAELP Nc1cc[nH+]cc1[C@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641891 180213573 /nfs/dbraw/zinc/21/35/73/180213573.db2.gz ZBVIGMWXIGBCFF-HNNXBMFYSA-N 2 2 274.412 2.462 10 0 CEAELP C[NH+](C)C1([C@H](N)c2c[nH+]ccc2N)CCCCCC1 ZINC000091654145 180217382 /nfs/dbraw/zinc/21/73/82/180217382.db2.gz DVJZGSKOFPLWRT-CQSZACIVSA-N 2 2 262.401 2.318 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721297 180238628 /nfs/dbraw/zinc/23/86/28/180238628.db2.gz SRGDNMSPRJLSRQ-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721297 180238630 /nfs/dbraw/zinc/23/86/30/180238630.db2.gz SRGDNMSPRJLSRQ-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP CC[NH2+][C@@H]1CC(C)(C)Cc2nc(C[NH+](C)C)ncc21 ZINC000091722680 180239701 /nfs/dbraw/zinc/23/97/01/180239701.db2.gz CFTYQNTVKBSSOM-GFCCVEGCSA-N 2 2 262.401 2.161 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000091780222 180252518 /nfs/dbraw/zinc/25/25/18/180252518.db2.gz GRULNNODAMQKIF-NSHDSACASA-N 2 2 280.368 2.153 10 0 CEAELP COC(=O)c1ccc([C@H](C)[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000091780222 180252522 /nfs/dbraw/zinc/25/25/22/180252522.db2.gz GRULNNODAMQKIF-NSHDSACASA-N 2 2 280.368 2.153 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)C1(C[NH3+])CCCCC1 ZINC000091926462 180287708 /nfs/dbraw/zinc/28/77/08/180287708.db2.gz FKJNMHBXJQWVPU-ZDUSSCGKSA-N 2 2 251.374 2.407 10 0 CEAELP CC[C@@](C)(CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000092129125 180329744 /nfs/dbraw/zinc/32/97/44/180329744.db2.gz ZACPPJNZGYSQIU-INIZCTEOSA-N 2 2 273.380 2.431 10 0 CEAELP C[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)C(C)(C)OC ZINC000092138881 180333530 /nfs/dbraw/zinc/33/35/30/180333530.db2.gz LGXGYBYGHFQXDB-ZDUSSCGKSA-N 2 2 266.385 2.263 10 0 CEAELP COc1c(C)c[nH+]c(C[C@H]([NH3+])C(C)(C)OC)c1C ZINC000092138634 180333736 /nfs/dbraw/zinc/33/37/36/180333736.db2.gz ICOAOEXERBSONU-LBPRGKRZSA-N 2 2 252.358 2.002 10 0 CEAELP C[C@@H](C[NH2+]C[C@H]1CSc2ccccc21)[NH+](C)C ZINC000092275332 180356192 /nfs/dbraw/zinc/35/61/92/180356192.db2.gz BUPLYWQZARQNCX-RYUDHWBXSA-N 2 2 250.411 2.416 10 0 CEAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CCSc1ccccc1 ZINC000092273140 180356353 /nfs/dbraw/zinc/35/63/53/180356353.db2.gz WSHJRYOQDNYGNB-CYBMUJFWSA-N 2 2 250.411 2.463 10 0 CEAELP C[C@@H]1CC[NH2+]CC[N@H+]1CCSc1ccccc1 ZINC000092273140 180356355 /nfs/dbraw/zinc/35/63/55/180356355.db2.gz WSHJRYOQDNYGNB-CYBMUJFWSA-N 2 2 250.411 2.463 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 ZINC000092271377 180356625 /nfs/dbraw/zinc/35/66/25/180356625.db2.gz WPERWTDVMGLRLE-WCQYABFASA-N 2 2 273.405 2.490 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300081 180358552 /nfs/dbraw/zinc/35/85/52/180358552.db2.gz BRTLVWNQDACFBJ-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000092342879 180366324 /nfs/dbraw/zinc/36/63/24/180366324.db2.gz CGIGRQIAMCLKEA-AWEZNQCLSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000092342879 180366325 /nfs/dbraw/zinc/36/63/25/180366325.db2.gz CGIGRQIAMCLKEA-AWEZNQCLSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000092348386 180367692 /nfs/dbraw/zinc/36/76/92/180367692.db2.gz ZXSNETJTXGMTSS-AWEZNQCLSA-N 2 2 255.365 2.466 10 0 CEAELP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])c2ccccc2n1 ZINC000092348386 180367693 /nfs/dbraw/zinc/36/76/93/180367693.db2.gz ZXSNETJTXGMTSS-AWEZNQCLSA-N 2 2 255.365 2.466 10 0 CEAELP CCNc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000092368027 180370075 /nfs/dbraw/zinc/37/00/75/180370075.db2.gz FVJKGIMYQABYLM-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000092368027 180370076 /nfs/dbraw/zinc/37/00/76/180370076.db2.gz FVJKGIMYQABYLM-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCCNc1cccc(CN(C)CCC[NH+](C)C)[nH+]1 ZINC000092370870 180370441 /nfs/dbraw/zinc/37/04/41/180370441.db2.gz QSXWVBXYOZXMJR-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP C[NH2+][C@@H]1c2cc(OC)ccc2CC[C@@H]1n1cc[nH+]c1 ZINC000092386049 180374047 /nfs/dbraw/zinc/37/40/47/180374047.db2.gz DOYRGZFOGRQMOV-LSDHHAIUSA-N 2 2 257.337 2.340 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@H]([NH3+])C3)cc1OC ZINC000107827681 186193915 /nfs/dbraw/zinc/19/39/15/186193915.db2.gz JLUGXNOEJMQCLL-PWSUYJOCSA-N 2 2 287.363 2.402 10 0 CEAELP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3CC)ccc21 ZINC000109573058 186264084 /nfs/dbraw/zinc/26/40/84/186264084.db2.gz FOPPEBPTUOSGJW-AWEZNQCLSA-N 2 2 270.336 2.037 10 0 CEAELP CCC[N@H+](CC(=O)OCC)Cc1ccc(F)cc1C[NH3+] ZINC000109604075 186267960 /nfs/dbraw/zinc/26/79/60/186267960.db2.gz UFKOFGPMTJWGHL-UHFFFAOYSA-N 2 2 282.359 2.060 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)Cc1ccc(F)cc1C[NH3+] ZINC000109604075 186267961 /nfs/dbraw/zinc/26/79/61/186267961.db2.gz UFKOFGPMTJWGHL-UHFFFAOYSA-N 2 2 282.359 2.060 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[NH2+]C(C)C)c(Cl)c1OC ZINC000110829459 186327616 /nfs/dbraw/zinc/32/76/16/186327616.db2.gz SKBTWZNTXNATEZ-SNVBAGLBSA-N 2 2 272.776 2.355 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)CC1CCCC1)OCCO2 ZINC000110836483 186328451 /nfs/dbraw/zinc/32/84/51/186328451.db2.gz VVEBINKBJYHCRJ-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)CC1CCCC1)OCCO2 ZINC000110836483 186328452 /nfs/dbraw/zinc/32/84/52/186328452.db2.gz VVEBINKBJYHCRJ-HOTGVXAUSA-N 2 2 296.455 2.382 10 0 CEAELP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110931853 186333137 /nfs/dbraw/zinc/33/31/37/186333137.db2.gz WBKCAAANDNRQIY-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000110931853 186333139 /nfs/dbraw/zinc/33/31/39/186333139.db2.gz WBKCAAANDNRQIY-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110931855 186333912 /nfs/dbraw/zinc/33/39/12/186333912.db2.gz WBKCAAANDNRQIY-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110931855 186333914 /nfs/dbraw/zinc/33/39/14/186333914.db2.gz WBKCAAANDNRQIY-AWEZNQCLSA-N 2 2 295.814 2.352 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110936625 186334212 /nfs/dbraw/zinc/33/42/12/186334212.db2.gz TULSWJSOFZOGMU-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110936625 186334213 /nfs/dbraw/zinc/33/42/13/186334213.db2.gz TULSWJSOFZOGMU-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP CCCN(Cc1cn2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000110945926 186335238 /nfs/dbraw/zinc/33/52/38/186335238.db2.gz RWAKXOQVDLYMNQ-OAHLLOKOSA-N 2 2 272.396 2.298 10 0 CEAELP CC[N@H+](CCc1scnc1C)[C@H]1CCC[NH2+]C1 ZINC000110943808 186335899 /nfs/dbraw/zinc/33/58/99/186335899.db2.gz NBUGFPFYIFZVHM-LBPRGKRZSA-N 2 2 253.415 2.068 10 0 CEAELP CC[N@@H+](CCc1scnc1C)[C@H]1CCC[NH2+]C1 ZINC000110943808 186335901 /nfs/dbraw/zinc/33/59/01/186335901.db2.gz NBUGFPFYIFZVHM-LBPRGKRZSA-N 2 2 253.415 2.068 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977961 186338727 /nfs/dbraw/zinc/33/87/27/186338727.db2.gz HSNFWILHLXKCJY-KRWDZBQOSA-N 3 2 293.430 2.408 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000110977961 186338729 /nfs/dbraw/zinc/33/87/29/186338729.db2.gz HSNFWILHLXKCJY-KRWDZBQOSA-N 3 2 293.430 2.408 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)oc1C ZINC000110755013 186319676 /nfs/dbraw/zinc/31/96/76/186319676.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCN(C)C(C)(C)C2)oc1C ZINC000110755013 186319678 /nfs/dbraw/zinc/31/96/78/186319678.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCN1C ZINC000110752302 186320244 /nfs/dbraw/zinc/32/02/44/186320244.db2.gz OBQZCUORBPJXOX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCN1C ZINC000110752302 186320246 /nfs/dbraw/zinc/32/02/46/186320246.db2.gz OBQZCUORBPJXOX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP CCC[C@@](C)(C[NH2+]C)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747085 186321802 /nfs/dbraw/zinc/32/18/02/186321802.db2.gz FKEVJRBTIPFYLU-HNNXBMFYSA-N 2 2 255.450 2.038 10 0 CEAELP CCC[C@@](C)(C[NH2+]C)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747085 186321804 /nfs/dbraw/zinc/32/18/04/186321804.db2.gz FKEVJRBTIPFYLU-HNNXBMFYSA-N 2 2 255.450 2.038 10 0 CEAELP COc1cc([NH+]2CCC(C[NH+](C)C)CC2)ccc1N ZINC000111053321 186348214 /nfs/dbraw/zinc/34/82/14/186348214.db2.gz GAWMUMISJKTLGM-UHFFFAOYSA-N 2 2 263.385 2.055 10 0 CEAELP CCC[C@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]C1 ZINC000111043660 186347672 /nfs/dbraw/zinc/34/76/72/186347672.db2.gz DRQIFZGMHUJQDI-HNNXBMFYSA-N 2 2 261.369 2.498 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)CC1CCOCC1 ZINC000111156470 186362633 /nfs/dbraw/zinc/36/26/33/186362633.db2.gz OSJBLKZSPIDPPF-RISCZKNCSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)CC1CCOCC1 ZINC000111156470 186362634 /nfs/dbraw/zinc/36/26/34/186362634.db2.gz OSJBLKZSPIDPPF-RISCZKNCSA-N 2 2 268.426 2.495 10 0 CEAELP CCOc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157793 186362776 /nfs/dbraw/zinc/36/27/76/186362776.db2.gz JPVGUVPVIVLIMT-HOCLYGCPSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157793 186362778 /nfs/dbraw/zinc/36/27/78/186362778.db2.gz JPVGUVPVIVLIMT-HOCLYGCPSA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000111117084 186355560 /nfs/dbraw/zinc/35/55/60/186355560.db2.gz CQRJBNGOEUROPA-AWEZNQCLSA-N 2 2 254.349 2.184 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000111117084 186355561 /nfs/dbraw/zinc/35/55/61/186355561.db2.gz CQRJBNGOEUROPA-AWEZNQCLSA-N 2 2 254.349 2.184 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@H+](C)CCC[NH+](C)C ZINC000111147720 186358977 /nfs/dbraw/zinc/35/89/77/186358977.db2.gz NLUPSLXEKSUKEL-MRXNPFEDSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@@H+](C)CCC[NH+](C)C ZINC000111147720 186358978 /nfs/dbraw/zinc/35/89/78/186358978.db2.gz NLUPSLXEKSUKEL-MRXNPFEDSA-N 3 2 269.477 2.428 10 0 CEAELP CN(CCC[NH+](C)C)c1[nH+]c(CO)cc2ccccc21 ZINC000111141474 186359143 /nfs/dbraw/zinc/35/91/43/186359143.db2.gz PEJJAIWWZMPDBO-UHFFFAOYSA-N 2 2 273.380 2.115 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCOCC1 ZINC000111173048 186364917 /nfs/dbraw/zinc/36/49/17/186364917.db2.gz GJLGBSWZMIDGIS-MQVJKMGUSA-N 2 2 266.429 2.408 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCOCC1 ZINC000111173048 186364919 /nfs/dbraw/zinc/36/49/19/186364919.db2.gz GJLGBSWZMIDGIS-MQVJKMGUSA-N 2 2 266.429 2.408 10 0 CEAELP CCC[NH2+]C[C@]1(C[N@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325734 186398667 /nfs/dbraw/zinc/39/86/67/186398667.db2.gz DITGUNALOYEDJU-KRWDZBQOSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]C[C@]1(C[N@@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325734 186398668 /nfs/dbraw/zinc/39/86/68/186398668.db2.gz DITGUNALOYEDJU-KRWDZBQOSA-N 2 2 291.439 2.310 10 0 CEAELP C[C@@H]1C[NH2+]C[C@@H]1c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000111255803 186379316 /nfs/dbraw/zinc/37/93/16/186379316.db2.gz OAMHBSGDXQSVRV-ZJUUUORDSA-N 2 2 273.336 2.047 10 0 CEAELP CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070451632 363083646 /nfs/dbraw/zinc/08/36/46/363083646.db2.gz SRNSACKTLZORTA-UHFFFAOYSA-N 2 2 298.390 2.124 10 0 CEAELP CO[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630359564 351711022 /nfs/dbraw/zinc/71/10/22/351711022.db2.gz GLOKWTGNDGRQOQ-CABCVRRESA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630359564 351711026 /nfs/dbraw/zinc/71/10/26/351711026.db2.gz GLOKWTGNDGRQOQ-CABCVRRESA-N 2 2 298.814 2.157 10 0 CEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000388809289 540331806 /nfs/dbraw/zinc/33/18/06/540331806.db2.gz VBFQJFKOGJNXRG-JSGCOSHPSA-N 2 2 268.376 2.097 10 0 CEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000388809289 540331809 /nfs/dbraw/zinc/33/18/09/540331809.db2.gz VBFQJFKOGJNXRG-JSGCOSHPSA-N 2 2 268.376 2.097 10 0 CEAELP c1ccc(NC[C@@H]2CCN(CC[NH+]3CCCCC3)C2)[nH+]c1 ZINC000151103548 366621315 /nfs/dbraw/zinc/62/13/15/366621315.db2.gz RNDJCPOKUDQKCH-INIZCTEOSA-N 2 2 288.439 2.301 10 0 CEAELP Cc1[nH+]cn(CCOCCn2c[nH+]c(C)c2C)c1C ZINC000178639298 189133328 /nfs/dbraw/zinc/13/33/28/189133328.db2.gz LXIBHLCGMVERFL-UHFFFAOYSA-N 2 2 262.357 2.030 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000180123188 189237977 /nfs/dbraw/zinc/23/79/77/189237977.db2.gz JYKWRFKXAHAUOW-HNNXBMFYSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000180123188 189237978 /nfs/dbraw/zinc/23/79/78/189237978.db2.gz JYKWRFKXAHAUOW-HNNXBMFYSA-N 2 2 273.384 2.073 10 0 CEAELP O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000089151265 363938220 /nfs/dbraw/zinc/93/82/20/363938220.db2.gz CWRVCGQEFJQSLM-HOCLYGCPSA-N 2 2 271.364 2.123 10 0 CEAELP C[NH2+][C@@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075706 364333463 /nfs/dbraw/zinc/33/34/63/364333463.db2.gz ABIPJBCGWZQDKB-JKSUJKDBSA-N 2 2 262.397 2.012 10 0 CEAELP C[NH2+][C@@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075706 364333468 /nfs/dbraw/zinc/33/34/68/364333468.db2.gz ABIPJBCGWZQDKB-JKSUJKDBSA-N 2 2 262.397 2.012 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120496368 365432193 /nfs/dbraw/zinc/43/21/93/365432193.db2.gz BVPZUJRGNDWSCA-KGLIPLIRSA-N 2 2 291.395 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120496368 365432198 /nfs/dbraw/zinc/43/21/98/365432198.db2.gz BVPZUJRGNDWSCA-KGLIPLIRSA-N 2 2 291.395 2.036 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843014 367586158 /nfs/dbraw/zinc/58/61/58/367586158.db2.gz IKRGJDDLMGGDEL-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843014 367586163 /nfs/dbraw/zinc/58/61/63/367586163.db2.gz IKRGJDDLMGGDEL-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP COC[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123421 369105609 /nfs/dbraw/zinc/10/56/09/369105609.db2.gz YVXCKWJKZBNVLI-ZIAGYGMSSA-N 2 2 263.385 2.098 10 0 CEAELP COC[C@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123421 369105611 /nfs/dbraw/zinc/10/56/11/369105611.db2.gz YVXCKWJKZBNVLI-ZIAGYGMSSA-N 2 2 263.385 2.098 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000190477152 369628681 /nfs/dbraw/zinc/62/86/81/369628681.db2.gz QIEZQOQWKWVLPJ-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccncc2)C1 ZINC000190477152 369628686 /nfs/dbraw/zinc/62/86/86/369628686.db2.gz QIEZQOQWKWVLPJ-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000190477152 369628689 /nfs/dbraw/zinc/62/86/89/369628689.db2.gz QIEZQOQWKWVLPJ-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000190477152 369628694 /nfs/dbraw/zinc/62/86/94/369628694.db2.gz QIEZQOQWKWVLPJ-SFHVURJKSA-N 2 2 296.418 2.431 10 0 CEAELP C[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247004045 371045598 /nfs/dbraw/zinc/04/55/98/371045598.db2.gz LUDVXDLPAISGLS-XRGAULLZSA-N 2 2 259.397 2.290 10 0 CEAELP C[C@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247004045 371045603 /nfs/dbraw/zinc/04/56/03/371045603.db2.gz LUDVXDLPAISGLS-XRGAULLZSA-N 2 2 259.397 2.290 10 0 CEAELP Cc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000258973930 371621600 /nfs/dbraw/zinc/62/16/00/371621600.db2.gz LPNGUEFXWVMHLB-GFCCVEGCSA-N 2 2 269.186 2.209 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]12 ZINC000261653701 371693556 /nfs/dbraw/zinc/69/35/56/371693556.db2.gz YLRTYUHHNSDXID-INTQDDNPSA-N 2 2 271.286 2.274 10 0 CEAELP C[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1O)Cc1ccccc1 ZINC000386683034 375263522 /nfs/dbraw/zinc/26/35/22/375263522.db2.gz IQFXZXZKCPWPRW-HZPDHXFCSA-N 2 2 262.397 2.012 10 0 CEAELP C[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1O)Cc1ccccc1 ZINC000386683034 375263527 /nfs/dbraw/zinc/26/35/27/375263527.db2.gz IQFXZXZKCPWPRW-HZPDHXFCSA-N 2 2 262.397 2.012 10 0 CEAELP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180615013 542265434 /nfs/dbraw/zinc/26/54/34/542265434.db2.gz HQEWDQIGWKRLIP-OAHLLOKOSA-N 2 2 287.411 2.152 10 0 CEAELP CCc1nn(C)cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180615013 542265436 /nfs/dbraw/zinc/26/54/36/542265436.db2.gz HQEWDQIGWKRLIP-OAHLLOKOSA-N 2 2 287.411 2.152 10 0 CEAELP CCCn1c[nH+]cc1[C@H]1OCC[C@@H]1C[NH2+]C(C)C ZINC000092866536 184632977 /nfs/dbraw/zinc/63/29/77/184632977.db2.gz ZZJYSMFATCBPAN-OCCSQVGLSA-N 2 2 251.374 2.369 10 0 CEAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@@H+](C4CCCC4)C[C@@H]23)[nH+]c1 ZINC000253595470 256689261 /nfs/dbraw/zinc/68/92/61/256689261.db2.gz DYINQGNQFIRBAU-KBMXLJTQSA-N 2 2 287.407 2.383 10 0 CEAELP c1ccc(NC[C@@H]2CO[C@H]3C[N@H+](C4CCCC4)C[C@@H]23)[nH+]c1 ZINC000253595470 256689263 /nfs/dbraw/zinc/68/92/63/256689263.db2.gz DYINQGNQFIRBAU-KBMXLJTQSA-N 2 2 287.407 2.383 10 0 CEAELP CC[NH2+][C@@H]1[C@@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1(C)C ZINC000094303601 184777895 /nfs/dbraw/zinc/77/78/95/184777895.db2.gz BOZSECJKMUJOET-RFQIPJPRSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@@H]1[C@@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1(C)C ZINC000094303601 184777896 /nfs/dbraw/zinc/77/78/96/184777896.db2.gz BOZSECJKMUJOET-RFQIPJPRSA-N 2 2 254.418 2.262 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301945 533413869 /nfs/dbraw/zinc/41/38/69/533413869.db2.gz ZKNMZHAUMRCGCO-MLGOLLRUSA-N 2 2 298.377 2.462 10 0 CEAELP C[C@@H]1CCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086676384 135048480 /nfs/dbraw/zinc/04/84/80/135048480.db2.gz TZJHAZKQNNNIDU-PBHICJAKSA-N 2 2 291.414 2.465 10 0 CEAELP CC[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000087535340 135051024 /nfs/dbraw/zinc/05/10/24/135051024.db2.gz ADZYQQSVFUOILL-ZDUSSCGKSA-N 2 2 281.831 2.447 10 0 CEAELP CNc1cc[nH+]c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000092418015 135076352 /nfs/dbraw/zinc/07/63/52/135076352.db2.gz AXJSYCQPCHGXBZ-UHFFFAOYSA-N 2 2 282.391 2.446 10 0 CEAELP [NH3+][C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000093210407 135079765 /nfs/dbraw/zinc/07/97/65/135079765.db2.gz XKZSHOPMMDWLLH-UKRRQHHQSA-N 2 2 275.396 2.205 10 0 CEAELP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093463210 135080840 /nfs/dbraw/zinc/08/08/40/135080840.db2.gz IBJAQKHMIZMEPH-ZBFHGGJFSA-N 3 2 288.439 2.171 10 0 CEAELP COc1ccc(Br)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000398276109 395232715 /nfs/dbraw/zinc/23/27/15/395232715.db2.gz AXZIKGXFKQVLOQ-JTQLQIEISA-N 2 2 299.212 2.157 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc2c(c1)OCO2 ZINC000396633486 395218148 /nfs/dbraw/zinc/21/81/48/395218148.db2.gz MPMMBDKANNIIDD-GVXVVHGQSA-N 2 2 262.353 2.206 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415075 396148187 /nfs/dbraw/zinc/14/81/87/396148187.db2.gz IPWZCCRDMBFZKT-CABCVRRESA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415075 396148188 /nfs/dbraw/zinc/14/81/88/396148188.db2.gz IPWZCCRDMBFZKT-CABCVRRESA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415075 396148192 /nfs/dbraw/zinc/14/81/92/396148192.db2.gz IPWZCCRDMBFZKT-CABCVRRESA-N 2 2 276.428 2.428 10 0 CEAELP COc1ncccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000193354294 153232105 /nfs/dbraw/zinc/23/21/05/153232105.db2.gz BOIXYXBSVAPQEF-AWEZNQCLSA-N 2 2 298.390 2.419 10 0 CEAELP COc1ncccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000193354294 153232108 /nfs/dbraw/zinc/23/21/08/153232108.db2.gz BOIXYXBSVAPQEF-AWEZNQCLSA-N 2 2 298.390 2.419 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000223442107 153318176 /nfs/dbraw/zinc/31/81/76/153318176.db2.gz GXHIUYHMCXDKLT-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000223442107 153318179 /nfs/dbraw/zinc/31/81/79/153318179.db2.gz GXHIUYHMCXDKLT-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP CCSCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178288182 165230187 /nfs/dbraw/zinc/23/01/87/165230187.db2.gz XDNQMSWFSLKRBW-CYBMUJFWSA-N 2 2 253.415 2.409 10 0 CEAELP CCSCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178288182 165230189 /nfs/dbraw/zinc/23/01/89/165230189.db2.gz XDNQMSWFSLKRBW-CYBMUJFWSA-N 2 2 253.415 2.409 10 0 CEAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226520 171092130 /nfs/dbraw/zinc/09/21/30/171092130.db2.gz BHHDEXRDIIMZSM-NSHDSACASA-N 2 2 257.175 2.401 10 0 CEAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226520 171092133 /nfs/dbraw/zinc/09/21/33/171092133.db2.gz BHHDEXRDIIMZSM-NSHDSACASA-N 2 2 257.175 2.401 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CC2)cc1OC ZINC000020226357 171092381 /nfs/dbraw/zinc/09/23/81/171092381.db2.gz RQNPZKGJNVTGPF-ZDUSSCGKSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)cc1OC ZINC000020226357 171092382 /nfs/dbraw/zinc/09/23/82/171092382.db2.gz RQNPZKGJNVTGPF-ZDUSSCGKSA-N 2 2 264.369 2.045 10 0 CEAELP CCCCCC[C@@](C)(C[NH3+])[NH+](CCOC)CCOC ZINC000037489490 173231715 /nfs/dbraw/zinc/23/17/15/173231715.db2.gz FLLLNBQVNCIPSV-HNNXBMFYSA-N 2 2 274.449 2.269 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502626 174298624 /nfs/dbraw/zinc/29/86/24/174298624.db2.gz BXBIIJNMQPNCCI-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502626 174298626 /nfs/dbraw/zinc/29/86/26/174298626.db2.gz BXBIIJNMQPNCCI-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP COC(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040622910 174355970 /nfs/dbraw/zinc/35/59/70/174355970.db2.gz WWDBUKHAJBIKLA-AWEZNQCLSA-N 2 2 290.407 2.293 10 0 CEAELP COC(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622910 174355972 /nfs/dbraw/zinc/35/59/72/174355972.db2.gz WWDBUKHAJBIKLA-AWEZNQCLSA-N 2 2 290.407 2.293 10 0 CEAELP CCOC1CC[NH+](C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000040689281 174376359 /nfs/dbraw/zinc/37/63/59/174376359.db2.gz FZPHRVKZJHZYMU-MRXNPFEDSA-N 2 2 278.396 2.196 10 0 CEAELP CC(C)(C)c1cnc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)o1 ZINC000040750222 174394639 /nfs/dbraw/zinc/39/46/39/174394639.db2.gz YYQVYQPSGAYILA-YOGCLGLASA-N 2 2 263.385 2.426 10 0 CEAELP CC(C)(C)c1cnc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)o1 ZINC000040750222 174394640 /nfs/dbraw/zinc/39/46/40/174394640.db2.gz YYQVYQPSGAYILA-YOGCLGLASA-N 2 2 263.385 2.426 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)c1C ZINC000043314694 175004843 /nfs/dbraw/zinc/00/48/43/175004843.db2.gz OYMVZDVWTYJSQV-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)c1C ZINC000043314694 175004844 /nfs/dbraw/zinc/00/48/44/175004844.db2.gz OYMVZDVWTYJSQV-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043324918 175007048 /nfs/dbraw/zinc/00/70/48/175007048.db2.gz OIDVDUPVWWVPLT-QGZVFWFLSA-N 3 2 275.440 2.370 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccccn1 ZINC000043334605 175010489 /nfs/dbraw/zinc/01/04/89/175010489.db2.gz HQDSWRCYBVMNSU-SWLSCSKDSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccccn1 ZINC000043334605 175010491 /nfs/dbraw/zinc/01/04/91/175010491.db2.gz HQDSWRCYBVMNSU-SWLSCSKDSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335416 175011144 /nfs/dbraw/zinc/01/11/44/175011144.db2.gz HBDIFGLPRKUKLH-IUODEOHRSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335416 175011145 /nfs/dbraw/zinc/01/11/45/175011145.db2.gz HBDIFGLPRKUKLH-IUODEOHRSA-N 2 2 259.353 2.237 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335918 175011718 /nfs/dbraw/zinc/01/17/18/175011718.db2.gz ZIJRMXSBDMHVEZ-OCCSQVGLSA-N 2 2 254.374 2.272 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335918 175011719 /nfs/dbraw/zinc/01/17/19/175011719.db2.gz ZIJRMXSBDMHVEZ-OCCSQVGLSA-N 2 2 254.374 2.272 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccccn1 ZINC000043338986 175013087 /nfs/dbraw/zinc/01/30/87/175013087.db2.gz GVTKYZQAQCZRNH-WBVHZDCISA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccccn1 ZINC000043338986 175013088 /nfs/dbraw/zinc/01/30/88/175013088.db2.gz GVTKYZQAQCZRNH-WBVHZDCISA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCOC)CC(C)C ZINC000043340423 175014743 /nfs/dbraw/zinc/01/47/43/175014743.db2.gz XUKSTEDBFXXDSC-HOCLYGCPSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCOC)CC(C)C ZINC000043340423 175014744 /nfs/dbraw/zinc/01/47/44/175014744.db2.gz XUKSTEDBFXXDSC-HOCLYGCPSA-N 2 2 279.428 2.464 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCCSCC2)o1 ZINC000043364687 175025409 /nfs/dbraw/zinc/02/54/09/175025409.db2.gz AMWZMKNNRXRFPH-AAEUAGOBSA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2CCCSCC2)o1 ZINC000043364687 175025411 /nfs/dbraw/zinc/02/54/11/175025411.db2.gz AMWZMKNNRXRFPH-AAEUAGOBSA-N 2 2 254.399 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CO ZINC000043364607 175025774 /nfs/dbraw/zinc/02/57/74/175025774.db2.gz AXYMCMYNCZYNJJ-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CO ZINC000043364607 175025775 /nfs/dbraw/zinc/02/57/75/175025775.db2.gz AXYMCMYNCZYNJJ-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394430 175035258 /nfs/dbraw/zinc/03/52/58/175035258.db2.gz SFXYNENSTGDCDY-ZFWWWQNUSA-N 2 2 250.386 2.270 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394430 175035259 /nfs/dbraw/zinc/03/52/59/175035259.db2.gz SFXYNENSTGDCDY-ZFWWWQNUSA-N 2 2 250.386 2.270 10 0 CEAELP CC[NH2+][C@H](C)CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817761 175112868 /nfs/dbraw/zinc/11/28/68/175112868.db2.gz ZDSPBUPNJGACEG-CYBMUJFWSA-N 2 2 292.423 2.450 10 0 CEAELP CC[NH2+][C@H](C)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817761 175112869 /nfs/dbraw/zinc/11/28/69/175112869.db2.gz ZDSPBUPNJGACEG-CYBMUJFWSA-N 2 2 292.423 2.450 10 0 CEAELP C[NH2+][C@H](C)CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817757 175113162 /nfs/dbraw/zinc/11/31/62/175113162.db2.gz UEXJJOHDXRWGJA-GFCCVEGCSA-N 2 2 278.396 2.060 10 0 CEAELP C[NH2+][C@H](C)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817757 175113163 /nfs/dbraw/zinc/11/31/63/175113163.db2.gz UEXJJOHDXRWGJA-GFCCVEGCSA-N 2 2 278.396 2.060 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888215 175117418 /nfs/dbraw/zinc/11/74/18/175117418.db2.gz HJFQQAVGELMTDO-LSDHHAIUSA-N 2 2 284.444 2.238 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888215 175117419 /nfs/dbraw/zinc/11/74/19/175117419.db2.gz HJFQQAVGELMTDO-LSDHHAIUSA-N 2 2 284.444 2.238 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(CC)CC1 ZINC000043913617 175124298 /nfs/dbraw/zinc/12/42/98/175124298.db2.gz SLFIPWPWKMDSGX-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966307 175128058 /nfs/dbraw/zinc/12/80/58/175128058.db2.gz KSFZIOVEZWEBNB-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966307 175128059 /nfs/dbraw/zinc/12/80/59/175128059.db2.gz KSFZIOVEZWEBNB-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969023 175130377 /nfs/dbraw/zinc/13/03/77/175130377.db2.gz XJXCWCFNEGEJRW-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969023 175130379 /nfs/dbraw/zinc/13/03/79/175130379.db2.gz XJXCWCFNEGEJRW-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067058 175300147 /nfs/dbraw/zinc/30/01/47/175300147.db2.gz NXBNMSFXCYRGJI-APHBMKBZSA-N 2 2 276.428 2.463 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067058 175300149 /nfs/dbraw/zinc/30/01/49/175300149.db2.gz NXBNMSFXCYRGJI-APHBMKBZSA-N 2 2 276.428 2.463 10 0 CEAELP CC[C@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314192 /nfs/dbraw/zinc/31/41/92/175314192.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314194 /nfs/dbraw/zinc/31/41/94/175314194.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314195 /nfs/dbraw/zinc/31/41/95/175314195.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314197 /nfs/dbraw/zinc/31/41/97/175314197.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)s1 ZINC000045206497 175328159 /nfs/dbraw/zinc/32/81/59/175328159.db2.gz SCFQLVDDWVNLPK-UHFFFAOYSA-N 2 2 254.399 2.078 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369890 175363654 /nfs/dbraw/zinc/36/36/54/175363654.db2.gz HSLWCISWSJYWBE-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369890 175363656 /nfs/dbraw/zinc/36/36/56/175363656.db2.gz HSLWCISWSJYWBE-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375262 175366151 /nfs/dbraw/zinc/36/61/51/175366151.db2.gz WAPMSKQNWYWMBP-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCCC1)[NH2+]C ZINC000045377523 175367145 /nfs/dbraw/zinc/36/71/45/175367145.db2.gz JVHFCBXISQKVTN-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C1CC1 ZINC000045383257 175371490 /nfs/dbraw/zinc/37/14/90/175371490.db2.gz SUOLTYZREIAOFP-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C1CC1 ZINC000045383257 175371492 /nfs/dbraw/zinc/37/14/92/175371492.db2.gz SUOLTYZREIAOFP-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CCC1CC[NH+]([C@]2(C[NH3+])CCOC(C)(C)C2)CC1 ZINC000070364223 175891862 /nfs/dbraw/zinc/89/18/62/175891862.db2.gz HJRJHQHXPWWMRY-OAHLLOKOSA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)C[N@H+](C[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941112 176014572 /nfs/dbraw/zinc/01/45/72/176014572.db2.gz JBTCZQCWHPAUPR-HNNXBMFYSA-N 2 2 278.396 2.002 10 0 CEAELP CCOC(=O)C[N@@H+](C[C@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941112 176014574 /nfs/dbraw/zinc/01/45/74/176014574.db2.gz JBTCZQCWHPAUPR-HNNXBMFYSA-N 2 2 278.396 2.002 10 0 CEAELP CCC[N@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071092216 176032250 /nfs/dbraw/zinc/03/22/50/176032250.db2.gz WIZHAUJFAVNKJH-WBVHZDCISA-N 2 2 274.408 2.374 10 0 CEAELP CCC[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071092216 176032251 /nfs/dbraw/zinc/03/22/51/176032251.db2.gz WIZHAUJFAVNKJH-WBVHZDCISA-N 2 2 274.408 2.374 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCOCC2(C)C)C1 ZINC000071123761 176035381 /nfs/dbraw/zinc/03/53/81/176035381.db2.gz RRJYBNKHNSCKHA-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+]2CCOCC2(C)C)C1 ZINC000071123761 176035382 /nfs/dbraw/zinc/03/53/82/176035382.db2.gz RRJYBNKHNSCKHA-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191417 176069366 /nfs/dbraw/zinc/06/93/66/176069366.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191417 176069367 /nfs/dbraw/zinc/06/93/67/176069367.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191417 176069369 /nfs/dbraw/zinc/06/93/69/176069369.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191417 176069370 /nfs/dbraw/zinc/06/93/70/176069370.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 3 2 289.467 2.467 10 0 CEAELP C[N@H+](CCC(=O)c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191219 176069690 /nfs/dbraw/zinc/06/96/90/176069690.db2.gz DIRFKZRZBOAWNG-CQSZACIVSA-N 2 2 260.381 2.143 10 0 CEAELP C[N@@H+](CCC(=O)c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191219 176069691 /nfs/dbraw/zinc/06/96/91/176069691.db2.gz DIRFKZRZBOAWNG-CQSZACIVSA-N 2 2 260.381 2.143 10 0 CEAELP C[NH+](CCC(=O)c1ccccc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191219 176069693 /nfs/dbraw/zinc/06/96/93/176069693.db2.gz DIRFKZRZBOAWNG-CQSZACIVSA-N 2 2 260.381 2.143 10 0 CEAELP C[NH+](CCC(=O)c1ccccc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191219 176069695 /nfs/dbraw/zinc/06/96/95/176069695.db2.gz DIRFKZRZBOAWNG-CQSZACIVSA-N 2 2 260.381 2.143 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000071197899 176076931 /nfs/dbraw/zinc/07/69/31/176076931.db2.gz KOWJUNGQZNOGGL-OAHLLOKOSA-N 2 2 262.397 2.312 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000071197899 176076932 /nfs/dbraw/zinc/07/69/32/176076932.db2.gz KOWJUNGQZNOGGL-OAHLLOKOSA-N 2 2 262.397 2.312 10 0 CEAELP C[N@H+](Cc1cscn1)Cc1ccc(F)cc1C[NH3+] ZINC000071263545 176096959 /nfs/dbraw/zinc/09/69/59/176096959.db2.gz ZAFCBLNEPKYOPU-UHFFFAOYSA-N 2 2 265.357 2.373 10 0 CEAELP C[N@@H+](Cc1cscn1)Cc1ccc(F)cc1C[NH3+] ZINC000071263545 176096961 /nfs/dbraw/zinc/09/69/61/176096961.db2.gz ZAFCBLNEPKYOPU-UHFFFAOYSA-N 2 2 265.357 2.373 10 0 CEAELP CC(C)(C)[C@@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071348291 176132671 /nfs/dbraw/zinc/13/26/71/176132671.db2.gz CMRRIGXHUNSIGL-AWEZNQCLSA-N 2 2 278.444 2.372 10 0 CEAELP Cc1[nH+]ccn1CCN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000077121673 177226634 /nfs/dbraw/zinc/22/66/34/177226634.db2.gz RTNGEQVOUFFMOE-UHFFFAOYSA-N 2 2 298.434 2.318 10 0 CEAELP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC000077121673 177226636 /nfs/dbraw/zinc/22/66/36/177226636.db2.gz RTNGEQVOUFFMOE-UHFFFAOYSA-N 2 2 298.434 2.318 10 0 CEAELP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000398384382 270358164 /nfs/dbraw/zinc/35/81/64/270358164.db2.gz WUYMKPWAVLFZDN-SECBINFHSA-N 2 2 287.176 2.287 10 0 CEAELP C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000399227705 270367455 /nfs/dbraw/zinc/36/74/55/270367455.db2.gz ZLLRVFZALMQZMZ-XJKSGUPXSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000399227705 270367456 /nfs/dbraw/zinc/36/74/56/270367456.db2.gz ZLLRVFZALMQZMZ-XJKSGUPXSA-N 2 2 271.364 2.218 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261595216 274907697 /nfs/dbraw/zinc/90/76/97/274907697.db2.gz NZPSJKXGOWQPCV-LBPRGKRZSA-N 2 2 271.286 2.290 10 0 CEAELP CC(C)n1cc[nH+]c1CN(CC[NH3+])CCc1ccccc1 ZINC000261800559 275786250 /nfs/dbraw/zinc/78/62/50/275786250.db2.gz RKOWXQHBUZWOSA-UHFFFAOYSA-N 2 2 286.423 2.467 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000191451345 276096369 /nfs/dbraw/zinc/09/63/69/276096369.db2.gz IOAVVRCHSIZNOO-LSDHHAIUSA-N 2 2 254.418 2.362 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000191451345 276096370 /nfs/dbraw/zinc/09/63/70/276096370.db2.gz IOAVVRCHSIZNOO-LSDHHAIUSA-N 2 2 254.418 2.362 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249010828 279095436 /nfs/dbraw/zinc/09/54/36/279095436.db2.gz IOAVVRCHSIZNOO-CABCVRRESA-N 2 2 254.418 2.362 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249010828 279095439 /nfs/dbraw/zinc/09/54/39/279095439.db2.gz IOAVVRCHSIZNOO-CABCVRRESA-N 2 2 254.418 2.362 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c(OC)c1 ZINC000396586137 280674673 /nfs/dbraw/zinc/67/46/73/280674673.db2.gz VBQSROAPZGINTP-HUBLWGQQSA-N 2 2 278.396 2.495 10 0 CEAELP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773778 281376245 /nfs/dbraw/zinc/37/62/45/281376245.db2.gz OWXQMVREUGWJMB-QWHCGFSZSA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773778 281376248 /nfs/dbraw/zinc/37/62/48/281376248.db2.gz OWXQMVREUGWJMB-QWHCGFSZSA-N 2 2 286.379 2.215 10 0 CEAELP Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC000272808164 282012267 /nfs/dbraw/zinc/01/22/67/282012267.db2.gz CAHFMDRHHYSJAV-ABAIWWIYSA-N 2 2 274.412 2.050 10 0 CEAELP CCC[NH2+][C@@H](C)C[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000068654904 519986666 /nfs/dbraw/zinc/98/66/66/519986666.db2.gz FKNBDVLFQLEQMA-STQMWFEESA-N 2 2 295.393 2.333 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)C1CCOCC1 ZINC000052203577 521951409 /nfs/dbraw/zinc/95/14/09/521951409.db2.gz LMZBELANHFNQQS-INIZCTEOSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000052203577 521951417 /nfs/dbraw/zinc/95/14/17/521951417.db2.gz LMZBELANHFNQQS-INIZCTEOSA-N 2 2 262.397 2.360 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@H](C)C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000068629001 519713800 /nfs/dbraw/zinc/71/38/00/519713800.db2.gz OMCCDBCMZBNSKU-PBHICJAKSA-N 2 2 297.487 2.375 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000054555141 519803444 /nfs/dbraw/zinc/80/34/44/519803444.db2.gz GNXJMFSBXLWCPR-BPLDGKMQSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000054555141 519803445 /nfs/dbraw/zinc/80/34/45/519803445.db2.gz GNXJMFSBXLWCPR-BPLDGKMQSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049204489 519814520 /nfs/dbraw/zinc/81/45/20/519814520.db2.gz APJRGBGQILYSGF-GJZGRUSLSA-N 2 2 268.376 2.035 10 0 CEAELP CC[NH2+]Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000052477764 519996018 /nfs/dbraw/zinc/99/60/18/519996018.db2.gz PMVACKCFRZYLOD-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052543986 520010665 /nfs/dbraw/zinc/01/06/65/520010665.db2.gz AKOBKAWVZAGBBH-UHFFFAOYSA-N 3 2 279.428 2.305 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052543986 520010676 /nfs/dbraw/zinc/01/06/76/520010676.db2.gz AKOBKAWVZAGBBH-UHFFFAOYSA-N 3 2 279.428 2.305 10 0 CEAELP CC[NH2+][C@@H](C)Cc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000061181785 520071900 /nfs/dbraw/zinc/07/19/00/520071900.db2.gz QQKSOQVAFSZULS-JTQLQIEISA-N 2 2 275.352 2.265 10 0 CEAELP CCC[NH2+][C@](Cn1c[nH+]c(C)c1C)(C(=O)OCC)C1CC1 ZINC000069193963 520125699 /nfs/dbraw/zinc/12/56/99/520125699.db2.gz BOXYXNFHTQNBMZ-INIZCTEOSA-N 2 2 293.411 2.211 10 0 CEAELP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362249 520722410 /nfs/dbraw/zinc/72/24/10/520722410.db2.gz VBXVYHCYIBFXHH-GXTWGEPZSA-N 2 2 282.453 2.418 10 0 CEAELP CCOC(=O)C[N@H+](Cc1cc(F)ccc1C[NH3+])C(C)C ZINC000069401752 520766670 /nfs/dbraw/zinc/76/66/70/520766670.db2.gz PBKIFGIPRRPWKA-UHFFFAOYSA-N 2 2 282.359 2.058 10 0 CEAELP CCOC(=O)C[N@@H+](Cc1cc(F)ccc1C[NH3+])C(C)C ZINC000069401752 520766673 /nfs/dbraw/zinc/76/66/73/520766673.db2.gz PBKIFGIPRRPWKA-UHFFFAOYSA-N 2 2 282.359 2.058 10 0 CEAELP CC[NH+](CC)[C@@H](C[NH2+]CCCC(=O)NC)c1ccccc1 ZINC000068817605 520838701 /nfs/dbraw/zinc/83/87/01/520838701.db2.gz PFHKXYMTZNPGPP-INIZCTEOSA-N 2 2 291.439 2.185 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069237595 520968081 /nfs/dbraw/zinc/96/80/81/520968081.db2.gz DJZICVYJEXJEFV-OAHLLOKOSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(OC)ccc1OC ZINC000069237595 520968086 /nfs/dbraw/zinc/96/80/86/520968086.db2.gz DJZICVYJEXJEFV-OAHLLOKOSA-N 2 2 278.396 2.436 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@@H](C)n1cc[nH+]c1C)[NH2+]C(C)C ZINC000068648832 521149292 /nfs/dbraw/zinc/14/92/92/521149292.db2.gz FWUWULFXMQCYIZ-IUODEOHRSA-N 2 2 281.400 2.462 10 0 CEAELP COc1c(C)c[nH+]c(CN[C@@H](C)C[NH+]2CCCC2)c1C ZINC000049180428 521811902 /nfs/dbraw/zinc/81/19/02/521811902.db2.gz FOEUNLNAMJOBHY-ZDUSSCGKSA-N 2 2 277.412 2.281 10 0 CEAELP C[NH2+]CC[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417241 522016302 /nfs/dbraw/zinc/01/63/02/522016302.db2.gz KBUYVMGUHQQCRC-GFCCVEGCSA-N 2 2 278.396 2.060 10 0 CEAELP C[NH2+]CC[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417241 522016311 /nfs/dbraw/zinc/01/63/11/522016311.db2.gz KBUYVMGUHQQCRC-GFCCVEGCSA-N 2 2 278.396 2.060 10 0 CEAELP C[NH2+]C[C@H]1CC[C@@H](Cn2c[nH+]c3cc(C)c(C)cc32)O1 ZINC000052575692 522095907 /nfs/dbraw/zinc/09/59/07/522095907.db2.gz PGSHLTXCDWIBDM-KGLIPLIRSA-N 2 2 273.380 2.420 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757389 522337605 /nfs/dbraw/zinc/33/76/05/522337605.db2.gz MBXZQGKVWSSZCA-HZSPNIEDSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757389 522337617 /nfs/dbraw/zinc/33/76/17/522337617.db2.gz MBXZQGKVWSSZCA-HZSPNIEDSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)c(OC)c1 ZINC000062803029 522337696 /nfs/dbraw/zinc/33/76/96/522337696.db2.gz PZYPASHPVAJSFP-ZDUSSCGKSA-N 2 2 289.379 2.228 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)C(C)(C)CC ZINC000069427661 522341912 /nfs/dbraw/zinc/34/19/12/522341912.db2.gz NFVVVTMFJNCBAO-QWHCGFSZSA-N 2 2 252.406 2.319 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)C(C)(C)CC ZINC000069427661 522341925 /nfs/dbraw/zinc/34/19/25/522341925.db2.gz NFVVVTMFJNCBAO-QWHCGFSZSA-N 2 2 252.406 2.319 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757224 522653220 /nfs/dbraw/zinc/65/32/20/522653220.db2.gz KXMAMQVNXFEJAO-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757224 522653230 /nfs/dbraw/zinc/65/32/30/522653230.db2.gz KXMAMQVNXFEJAO-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]1COCC[N@@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181963 523499823 /nfs/dbraw/zinc/49/98/23/523499823.db2.gz XHRXNGABIKZCSC-OAHLLOKOSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@@H]1COCC[N@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181963 523499832 /nfs/dbraw/zinc/49/98/32/523499832.db2.gz XHRXNGABIKZCSC-OAHLLOKOSA-N 2 2 298.471 2.282 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000068649045 524002349 /nfs/dbraw/zinc/00/23/49/524002349.db2.gz HJTJFRPLMGOKNG-MLGOLLRUSA-N 2 2 287.363 2.392 10 0 CEAELP C[C@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418232 524194010 /nfs/dbraw/zinc/19/40/10/524194010.db2.gz YFRKTTNVWYACEJ-CQSZACIVSA-N 2 2 291.414 2.478 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540150 524475931 /nfs/dbraw/zinc/47/59/31/524475931.db2.gz RDQVWCGGZWRMKE-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540150 524475938 /nfs/dbraw/zinc/47/59/38/524475938.db2.gz RDQVWCGGZWRMKE-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1COCC[N@@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476116 524724466 /nfs/dbraw/zinc/72/44/66/524724466.db2.gz UBGBTOBZAVLNOW-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1COCC[N@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476116 524724476 /nfs/dbraw/zinc/72/44/76/524724476.db2.gz UBGBTOBZAVLNOW-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP Cc1[nH+]c[nH]c1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000054797022 525463623 /nfs/dbraw/zinc/46/36/23/525463623.db2.gz BUMLDXLKAJCJNE-WFASDCNBSA-N 2 2 264.417 2.318 10 0 CEAELP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061812039 526249321 /nfs/dbraw/zinc/24/93/21/526249321.db2.gz MZTCZIMEYFQHPH-LBPRGKRZSA-N 2 2 292.452 2.392 10 0 CEAELP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061812039 526249323 /nfs/dbraw/zinc/24/93/23/526249323.db2.gz MZTCZIMEYFQHPH-LBPRGKRZSA-N 2 2 292.452 2.392 10 0 CEAELP Cc1nc(N2CCC(C[NH2+]C(C)(C)C)CC2)cc[nH+]1 ZINC000054937544 527344832 /nfs/dbraw/zinc/34/48/32/527344832.db2.gz GKBKFCBWPIIMCK-UHFFFAOYSA-N 2 2 262.401 2.390 10 0 CEAELP OC[C@@H](c1csc2ccccc12)[N@@H+]1CCC[NH2+]CC1 ZINC000054465846 527585681 /nfs/dbraw/zinc/58/56/81/527585681.db2.gz UPLHJVCANSSZHV-AWEZNQCLSA-N 2 2 276.405 2.230 10 0 CEAELP OC[C@@H](c1csc2ccccc12)[N@H+]1CCC[NH2+]CC1 ZINC000054465846 527585685 /nfs/dbraw/zinc/58/56/85/527585685.db2.gz UPLHJVCANSSZHV-AWEZNQCLSA-N 2 2 276.405 2.230 10 0 CEAELP CCN(CC)c1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000400332060 528312698 /nfs/dbraw/zinc/31/26/98/528312698.db2.gz FCNBOKSSNCDYFJ-CHWSQXEVSA-N 2 2 262.401 2.338 10 0 CEAELP O[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000049077090 629748619 /nfs/dbraw/zinc/74/86/19/629748619.db2.gz IEQIFYJWUAVTJJ-ZDUSSCGKSA-N 2 2 299.296 2.225 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670978 639871566 /nfs/dbraw/zinc/87/15/66/639871566.db2.gz CYIZLCJMNPGAAD-OAHLLOKOSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670978 639871575 /nfs/dbraw/zinc/87/15/75/639871575.db2.gz CYIZLCJMNPGAAD-OAHLLOKOSA-N 2 2 275.396 2.007 10 0 CEAELP CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519857 343983042 /nfs/dbraw/zinc/98/30/42/343983042.db2.gz XECLNFZLFHTXHJ-QGZVFWFLSA-N 2 2 289.423 2.161 10 0 CEAELP CC[N@@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000079519857 343983043 /nfs/dbraw/zinc/98/30/43/343983043.db2.gz XECLNFZLFHTXHJ-QGZVFWFLSA-N 2 2 289.423 2.161 10 0 CEAELP Cc1ccc(N)c(N2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000036250681 361837531 /nfs/dbraw/zinc/83/75/31/361837531.db2.gz CJLOKRFSLWMBSL-UHFFFAOYSA-N 2 2 282.391 2.294 10 0 CEAELP Brc1c[nH+]ccc1NCC[NH+]1CC=CC1 ZINC000306978355 344719290 /nfs/dbraw/zinc/71/92/90/344719290.db2.gz BABBKIYJROTXQI-UHFFFAOYSA-N 2 2 268.158 2.128 10 0 CEAELP CC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)[C@@H]1CCOC1 ZINC000336785752 365804087 /nfs/dbraw/zinc/80/40/87/365804087.db2.gz FXQXLZWWQCHRJZ-KFWWJZLASA-N 2 2 256.434 2.367 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3csnn3)C2)[nH+]1 ZINC000128282844 187361910 /nfs/dbraw/zinc/36/19/10/187361910.db2.gz GHCNSZKEYSUDSF-LBPRGKRZSA-N 2 2 289.408 2.176 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3csnn3)C2)[nH+]1 ZINC000128282844 187361911 /nfs/dbraw/zinc/36/19/11/187361911.db2.gz GHCNSZKEYSUDSF-LBPRGKRZSA-N 2 2 289.408 2.176 10 0 CEAELP COc1cc2[nH]c([C@@H]3CCC[C@H]3[NH3+])[nH+]c2cc1OC ZINC000085321819 179015745 /nfs/dbraw/zinc/01/57/45/179015745.db2.gz HSKUYWHJOOPEPZ-RKDXNWHRSA-N 2 2 261.325 2.175 10 0 CEAELP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000085363093 179034560 /nfs/dbraw/zinc/03/45/60/179034560.db2.gz XTFDDPIOXFFDBQ-STQMWFEESA-N 2 2 270.336 2.143 10 0 CEAELP CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C)C ZINC000085400916 179051903 /nfs/dbraw/zinc/05/19/03/179051903.db2.gz LANUKEKUNJTXAB-MCIONIFRSA-N 2 2 256.434 2.366 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403843 179053058 /nfs/dbraw/zinc/05/30/58/179053058.db2.gz DJQLGZRAHUUESS-KRWDZBQOSA-N 3 2 290.455 2.436 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403843 179053059 /nfs/dbraw/zinc/05/30/59/179053059.db2.gz DJQLGZRAHUUESS-KRWDZBQOSA-N 3 2 290.455 2.436 10 0 CEAELP CC(C)[C@H]1C[N@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468373 179073455 /nfs/dbraw/zinc/07/34/55/179073455.db2.gz WUVYAHZCJZKNIU-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@H]1C[N@@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085468373 179073456 /nfs/dbraw/zinc/07/34/56/179073456.db2.gz WUVYAHZCJZKNIU-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CCOCC[N@@H+]1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468298 179073541 /nfs/dbraw/zinc/07/35/41/179073541.db2.gz MHRYBSLFZNTZTK-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCOCC[N@H+]1C[C@H](C(C)C)[NH2+]CC12CCCC2 ZINC000085468298 179073544 /nfs/dbraw/zinc/07/35/44/179073544.db2.gz MHRYBSLFZNTZTK-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[C@H]1C[NH2+][C@H](CC)CN1CCCn1cc[nH+]c1 ZINC000085472541 179077521 /nfs/dbraw/zinc/07/75/21/179077521.db2.gz IJORBALVNYMIQS-CABCVRRESA-N 2 2 264.417 2.126 10 0 CEAELP CC1(C)C[N@H+]([C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471507 179076013 /nfs/dbraw/zinc/07/60/13/179076013.db2.gz IWKUFVBNVUJJBS-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP CC1(C)C[N@@H+]([C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471507 179076015 /nfs/dbraw/zinc/07/60/15/179076015.db2.gz IWKUFVBNVUJJBS-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP COCCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085503193 179084860 /nfs/dbraw/zinc/08/48/60/179084860.db2.gz RCEGRBFNBNCWES-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085503193 179084862 /nfs/dbraw/zinc/08/48/62/179084862.db2.gz RCEGRBFNBNCWES-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512245 179086397 /nfs/dbraw/zinc/08/63/97/179086397.db2.gz XFPXDTQBEYQMNK-IAGOWNOFSA-N 2 2 290.455 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512245 179086398 /nfs/dbraw/zinc/08/63/98/179086398.db2.gz XFPXDTQBEYQMNK-IAGOWNOFSA-N 2 2 290.455 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512245 179086399 /nfs/dbraw/zinc/08/63/99/179086399.db2.gz XFPXDTQBEYQMNK-IAGOWNOFSA-N 2 2 290.455 2.290 10 0 CEAELP CCOCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085516081 179087282 /nfs/dbraw/zinc/08/72/82/179087282.db2.gz KVLWIRIZBXELRU-CVEARBPZSA-N 2 2 266.429 2.266 10 0 CEAELP CCOCC[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085516081 179087284 /nfs/dbraw/zinc/08/72/84/179087284.db2.gz KVLWIRIZBXELRU-CVEARBPZSA-N 2 2 266.429 2.266 10 0 CEAELP COCCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529001 179090862 /nfs/dbraw/zinc/09/08/62/179090862.db2.gz IFLUMXDICTXIEU-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529001 179090865 /nfs/dbraw/zinc/09/08/65/179090865.db2.gz IFLUMXDICTXIEU-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP Cc1cc2ccccc2[nH+]c1NCCCN1CC[NH2+]CC1 ZINC000063106286 362750005 /nfs/dbraw/zinc/75/00/05/362750005.db2.gz WZNOAFCKCRLMFZ-UHFFFAOYSA-N 2 2 284.407 2.250 10 0 CEAELP c1cc(N2CCCC2)[nH+]cc1N[C@H]1CCC[NH2+]CC1 ZINC000129004305 365817437 /nfs/dbraw/zinc/81/74/37/365817437.db2.gz UGGRQMYYEJJGTM-ZDUSSCGKSA-N 2 2 260.385 2.236 10 0 CEAELP CC(C)C[C@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611143 179103320 /nfs/dbraw/zinc/10/33/20/179103320.db2.gz NLQCFDXHKOJGPK-LBPRGKRZSA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611143 179103322 /nfs/dbraw/zinc/10/33/22/179103322.db2.gz NLQCFDXHKOJGPK-LBPRGKRZSA-N 2 2 282.350 2.275 10 0 CEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085671143 179111202 /nfs/dbraw/zinc/11/12/02/179111202.db2.gz OWBGVOAHYLTHLZ-AGIUHOORSA-N 2 2 254.418 2.120 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)C12CCCC2 ZINC000085680385 179113422 /nfs/dbraw/zinc/11/34/22/179113422.db2.gz KHGXWYPJDMTMNE-KBPBESRZSA-N 2 2 277.412 2.290 10 0 CEAELP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086073614 179224939 /nfs/dbraw/zinc/22/49/39/179224939.db2.gz VRDNWMCIPCIXQZ-NQBHXWOUSA-N 2 2 250.390 2.010 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264809 179260847 /nfs/dbraw/zinc/26/08/47/179260847.db2.gz FCGGCWFHDATGLK-CHWSQXEVSA-N 2 2 264.417 2.019 10 0 CEAELP Cc1csc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086290054 179264555 /nfs/dbraw/zinc/26/45/55/179264555.db2.gz ULTXKWHRZIVXKA-CQSZACIVSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1csc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000086290054 179264558 /nfs/dbraw/zinc/26/45/58/179264558.db2.gz ULTXKWHRZIVXKA-CQSZACIVSA-N 2 2 265.426 2.416 10 0 CEAELP CC(C)[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317398 179270566 /nfs/dbraw/zinc/27/05/66/179270566.db2.gz PNGPSQHCZIPTGK-IRXDYDNUSA-N 2 2 285.391 2.344 10 0 CEAELP CC(C)[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317398 179270567 /nfs/dbraw/zinc/27/05/67/179270567.db2.gz PNGPSQHCZIPTGK-IRXDYDNUSA-N 2 2 285.391 2.344 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291393 179265838 /nfs/dbraw/zinc/26/58/38/179265838.db2.gz UMVPOUDLGHJTMZ-LSDHHAIUSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291393 179265839 /nfs/dbraw/zinc/26/58/39/179265839.db2.gz UMVPOUDLGHJTMZ-LSDHHAIUSA-N 2 2 252.402 2.020 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130230006 365935718 /nfs/dbraw/zinc/93/57/18/365935718.db2.gz OQKDNFXVWXNZBB-GZBFAFLISA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130230006 365935724 /nfs/dbraw/zinc/93/57/24/365935724.db2.gz OQKDNFXVWXNZBB-GZBFAFLISA-N 2 2 258.365 2.337 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777910 179329790 /nfs/dbraw/zinc/32/97/90/179329790.db2.gz CZCCDQISYWUZSP-RKDXNWHRSA-N 2 2 259.806 2.356 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cnc(Cl)s1 ZINC000086777910 179329793 /nfs/dbraw/zinc/32/97/93/179329793.db2.gz CZCCDQISYWUZSP-RKDXNWHRSA-N 2 2 259.806 2.356 10 0 CEAELP CC[N@@H+]1CCC[C@@H](NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000086836145 179349248 /nfs/dbraw/zinc/34/92/48/179349248.db2.gz LJTGOVYBHNSOCK-CABCVRRESA-N 2 2 279.428 2.346 10 0 CEAELP CC[N@H+]1CCC[C@@H](NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000086836145 179349251 /nfs/dbraw/zinc/34/92/51/179349251.db2.gz LJTGOVYBHNSOCK-CABCVRRESA-N 2 2 279.428 2.346 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836667 179351148 /nfs/dbraw/zinc/35/11/48/179351148.db2.gz BCPHVCUNPDVSDE-HOTGVXAUSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836667 179351150 /nfs/dbraw/zinc/35/11/50/179351150.db2.gz BCPHVCUNPDVSDE-HOTGVXAUSA-N 3 2 269.477 2.425 10 0 CEAELP Cc1csc([C@]2([NH3+])CCC[N@@H+](C(C)C)CC2)n1 ZINC000086851296 179359958 /nfs/dbraw/zinc/35/99/58/179359958.db2.gz QYONFRINKKHUKL-ZDUSSCGKSA-N 2 2 253.415 2.500 10 0 CEAELP Cc1csc([C@]2([NH3+])CCC[N@H+](C(C)C)CC2)n1 ZINC000086851296 179359960 /nfs/dbraw/zinc/35/99/60/179359960.db2.gz QYONFRINKKHUKL-ZDUSSCGKSA-N 2 2 253.415 2.500 10 0 CEAELP [NH3+]C[C@@]1([N@H+](Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875430 179365600 /nfs/dbraw/zinc/36/56/00/179365600.db2.gz MRCGBFAIAOBNPM-OAHLLOKOSA-N 2 2 264.369 2.142 10 0 CEAELP [NH3+]C[C@@]1([N@@H+](Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875430 179365601 /nfs/dbraw/zinc/36/56/01/179365601.db2.gz MRCGBFAIAOBNPM-OAHLLOKOSA-N 2 2 264.369 2.142 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CC2)C12CCC2 ZINC000087710978 179475649 /nfs/dbraw/zinc/47/56/49/179475649.db2.gz PTPKOWIRFCJQCF-KGLIPLIRSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CC2)C12CCC2 ZINC000087710978 179475651 /nfs/dbraw/zinc/47/56/51/179475651.db2.gz PTPKOWIRFCJQCF-KGLIPLIRSA-N 2 2 252.402 2.018 10 0 CEAELP c1c[nH+]c([C@@H]2COCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000616658781 348551195 /nfs/dbraw/zinc/55/11/95/348551195.db2.gz FAOWACNPVSHMCP-AWEZNQCLSA-N 2 2 257.337 2.026 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cccc3ncccc32)CC1 ZINC000616608931 348533268 /nfs/dbraw/zinc/53/32/68/348533268.db2.gz HUAVKFYYJMGBKF-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3cccnc32)C1 ZINC000616620734 348537219 /nfs/dbraw/zinc/53/72/19/348537219.db2.gz MZKPYRQQPVJBHH-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3cccnc32)C1 ZINC000616620734 348537221 /nfs/dbraw/zinc/53/72/21/348537221.db2.gz MZKPYRQQPVJBHH-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](Cc1ccsc1)C1CC1)OC ZINC000090625154 180015984 /nfs/dbraw/zinc/01/59/84/180015984.db2.gz CZHGVURSWITUCK-ZDUSSCGKSA-N 2 2 284.425 2.049 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](Cc1ccsc1)C1CC1)OC ZINC000090625154 180015985 /nfs/dbraw/zinc/01/59/85/180015985.db2.gz CZHGVURSWITUCK-ZDUSSCGKSA-N 2 2 284.425 2.049 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@H]1Cc2ccccc2O1 ZINC000090877813 180051602 /nfs/dbraw/zinc/05/16/02/180051602.db2.gz UQDXLWJFHJWBPJ-OAHLLOKOSA-N 2 2 271.364 2.305 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878938 180053322 /nfs/dbraw/zinc/05/33/22/180053322.db2.gz WDKPTVFOMDRVNZ-CQDKDKBSSA-N 2 2 278.371 2.331 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878938 180053323 /nfs/dbraw/zinc/05/33/23/180053323.db2.gz WDKPTVFOMDRVNZ-CQDKDKBSSA-N 2 2 278.371 2.331 10 0 CEAELP Cc1ccc2c(c1)C[C@H](Cn1cc[nH+]c1C[C@@H](C)[NH3+])O2 ZINC000090901593 180058625 /nfs/dbraw/zinc/05/86/25/180058625.db2.gz PIGCAOASTNFGED-TZMCWYRMSA-N 2 2 271.364 2.085 10 0 CEAELP CC(=O)Nc1ccsc1C[NH2+]CCCn1cc[nH+]c1 ZINC000090959296 180075457 /nfs/dbraw/zinc/07/54/57/180075457.db2.gz VOFIAUNHIILAGM-UHFFFAOYSA-N 2 2 278.381 2.083 10 0 CEAELP CCC1(CC)CC[NH+]([C@@H](C[NH3+])CC(=O)NC(C)C)CC1 ZINC000091318725 180133567 /nfs/dbraw/zinc/13/35/67/180133567.db2.gz VPWREGMPRXKDIK-CQSZACIVSA-N 2 2 283.460 2.131 10 0 CEAELP CCCNC(=O)C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000091317319 180133751 /nfs/dbraw/zinc/13/37/51/180133751.db2.gz DLTRFZWNNWIWQC-ZDUSSCGKSA-N 2 2 297.468 2.202 10 0 CEAELP CCCNC(=O)C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000091317319 180133752 /nfs/dbraw/zinc/13/37/52/180133752.db2.gz DLTRFZWNNWIWQC-ZDUSSCGKSA-N 2 2 297.468 2.202 10 0 CEAELP CCC1(C)CC[NH+]([C@@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321598 180134798 /nfs/dbraw/zinc/13/47/98/180134798.db2.gz QVSFKOIFYQPMLL-CYBMUJFWSA-N 2 2 283.460 2.131 10 0 CEAELP C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCCOCC1 ZINC000091362778 180141683 /nfs/dbraw/zinc/14/16/83/180141683.db2.gz ORANLDJWAYVEMB-ZNMIVQPWSA-N 2 2 252.402 2.020 10 0 CEAELP C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCCOCC1 ZINC000091362778 180141685 /nfs/dbraw/zinc/14/16/85/180141685.db2.gz ORANLDJWAYVEMB-ZNMIVQPWSA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)CN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275611 180119171 /nfs/dbraw/zinc/11/91/71/180119171.db2.gz XVUKBLCNQYDELI-XJKSGUPXSA-N 2 2 290.411 2.255 10 0 CEAELP CC[NH2+][C@@H]1COc2cc(OCc3c[nH+]cn3C)ccc21 ZINC000091278468 180120900 /nfs/dbraw/zinc/12/09/00/180120900.db2.gz RREHFORVZHMTJG-CQSZACIVSA-N 2 2 273.336 2.042 10 0 CEAELP C[NH2+][C@H](C)c1ccc(F)cc1OCc1c[nH+]cn1C ZINC000091278451 180121114 /nfs/dbraw/zinc/12/11/14/180121114.db2.gz ABPUVOONXMGICN-SNVBAGLBSA-N 2 2 263.316 2.419 10 0 CEAELP Cn1c[nH+]cc1COc1c(Br)cccc1C[NH3+] ZINC000091278376 180121347 /nfs/dbraw/zinc/12/13/47/180121347.db2.gz MOAXGPCMLYHVQU-UHFFFAOYSA-N 2 2 296.168 2.220 10 0 CEAELP COc1ccccc1C[N@H+](C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292077 180123866 /nfs/dbraw/zinc/12/38/66/180123866.db2.gz JZUMDEGQMZCNDM-CQSZACIVSA-N 2 2 280.437 2.222 10 0 CEAELP COc1ccccc1C[N@@H+](C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292077 180123868 /nfs/dbraw/zinc/12/38/68/180123868.db2.gz JZUMDEGQMZCNDM-CQSZACIVSA-N 2 2 280.437 2.222 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1OC)[N@H+](C)CC1CC(O)C1 ZINC000091451137 180159088 /nfs/dbraw/zinc/15/90/88/180159088.db2.gz ZHKRVUSVRHVRNO-ITMHDFIRSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1OC)[N@@H+](C)CC1CC(O)C1 ZINC000091451137 180159091 /nfs/dbraw/zinc/15/90/91/180159091.db2.gz ZHKRVUSVRHVRNO-ITMHDFIRSA-N 2 2 292.423 2.176 10 0 CEAELP CC(C)(C(=O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091563751 180192534 /nfs/dbraw/zinc/19/25/34/180192534.db2.gz RVXJWVUWKWZGRU-UHFFFAOYSA-N 2 2 261.369 2.040 10 0 CEAELP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCC1 ZINC000091563636 180192942 /nfs/dbraw/zinc/19/29/42/180192942.db2.gz ZWMSBCGYWMFUKW-INIZCTEOSA-N 3 2 290.455 2.449 10 0 CEAELP CCCn1ncnc1C[C@@H]([NH2+]C)C(C)(C)[NH+]1CCCCC1 ZINC000091564969 180193202 /nfs/dbraw/zinc/19/32/02/180193202.db2.gz AMGJRGCBCGBITD-CQSZACIVSA-N 2 2 293.459 2.083 10 0 CEAELP CC[C@@](C)([C@@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608727 180205756 /nfs/dbraw/zinc/20/57/56/180205756.db2.gz HCNYIUUYSZWMMM-HOCLYGCPSA-N 2 2 277.412 2.222 10 0 CEAELP CCN[C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+](CC)CC ZINC000091531680 180180220 /nfs/dbraw/zinc/18/02/20/180180220.db2.gz JELLZRXBEUMMPR-HNNXBMFYSA-N 2 2 278.444 2.305 10 0 CEAELP Nc1[nH+]cccc1C[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641721 180213413 /nfs/dbraw/zinc/21/34/13/180213413.db2.gz QPASVYMTFQTLSZ-OAHLLOKOSA-N 2 2 289.423 2.366 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640163 180213495 /nfs/dbraw/zinc/21/34/95/180213495.db2.gz JOICKBXKISLJPK-CQSZACIVSA-N 2 2 275.396 2.414 10 0 CEAELP [NH3+][C@H](CCC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643001 180213755 /nfs/dbraw/zinc/21/37/55/180213755.db2.gz UDVCLYAIUCPAEI-CQSZACIVSA-N 2 2 252.402 2.149 10 0 CEAELP C[NH2+][C@@H](C(C)(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000091643173 180214197 /nfs/dbraw/zinc/21/41/97/180214197.db2.gz REZYSQBZCDCWPS-ZDUSSCGKSA-N 2 2 254.418 2.266 10 0 CEAELP CCCn1nccc1[C@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716123 180232789 /nfs/dbraw/zinc/23/27/89/180232789.db2.gz GECQUXLCIICFRB-ZDUSSCGKSA-N 2 2 252.406 2.286 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1cccnc1N ZINC000091716695 180232799 /nfs/dbraw/zinc/23/27/99/180232799.db2.gz HTPIYDWBFRGABA-CYBMUJFWSA-N 2 2 250.390 2.046 10 0 CEAELP CC[NH2+][C@H](CCc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000091719761 180234222 /nfs/dbraw/zinc/23/42/22/180234222.db2.gz RYCQXICPKOWMQS-OAHLLOKOSA-N 2 2 262.397 2.094 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720898 180235208 /nfs/dbraw/zinc/23/52/08/180235208.db2.gz HTBQKNMXDDBEED-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720898 180235210 /nfs/dbraw/zinc/23/52/10/180235210.db2.gz HTBQKNMXDDBEED-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP [NH3+][C@H](c1ccccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720245 180235357 /nfs/dbraw/zinc/23/53/57/180235357.db2.gz WZZISRHUJLNSSQ-LERXQTSPSA-N 2 2 266.772 2.203 10 0 CEAELP [NH3+][C@H](c1ccccc1Cl)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720245 180235360 /nfs/dbraw/zinc/23/53/60/180235360.db2.gz WZZISRHUJLNSSQ-LERXQTSPSA-N 2 2 266.772 2.203 10 0 CEAELP CCC[NH2+][C@H](Cc1ccncc1Cl)C[NH+](C)C ZINC000091719951 180235772 /nfs/dbraw/zinc/23/57/72/180235772.db2.gz QSRRGNWCFRSILL-GFCCVEGCSA-N 2 2 255.793 2.207 10 0 CEAELP [NH3+][C@H](c1cncc2ccccc21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720854 180236085 /nfs/dbraw/zinc/23/60/85/180236085.db2.gz WWRJMQIMTCOEMV-XOKHGSTOSA-N 2 2 283.375 2.098 10 0 CEAELP [NH3+][C@H](c1cncc2ccccc21)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720854 180236086 /nfs/dbraw/zinc/23/60/86/180236086.db2.gz WWRJMQIMTCOEMV-XOKHGSTOSA-N 2 2 283.375 2.098 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926408 180287582 /nfs/dbraw/zinc/28/75/82/180287582.db2.gz ORWJPSQSBBCNOH-HNFVBEJKSA-N 2 2 265.401 2.482 10 0 CEAELP CC1CCC(C[NH3+])([C@H](O)c2c[nH+]cn2C2CC2)CC1 ZINC000091926646 180287779 /nfs/dbraw/zinc/28/77/79/180287779.db2.gz KMRFHZGCRCNSIE-XGTXGMFGSA-N 2 2 263.385 2.407 10 0 CEAELP C[N@@H+]1CCO[C@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054302 180313686 /nfs/dbraw/zinc/31/36/86/180313686.db2.gz BKRYLVVBFZXANP-AWEZNQCLSA-N 2 2 286.375 2.008 10 0 CEAELP C[N@H+]1CCO[C@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054302 180313688 /nfs/dbraw/zinc/31/36/88/180313688.db2.gz BKRYLVVBFZXANP-AWEZNQCLSA-N 2 2 286.375 2.008 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000092263096 180355196 /nfs/dbraw/zinc/35/51/96/180355196.db2.gz MQSWAVKZEBTMJZ-OAHLLOKOSA-N 2 2 294.464 2.479 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000092263096 180355197 /nfs/dbraw/zinc/35/51/97/180355197.db2.gz MQSWAVKZEBTMJZ-OAHLLOKOSA-N 2 2 294.464 2.479 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC000092341860 180365796 /nfs/dbraw/zinc/36/57/96/180365796.db2.gz IUOCCDLAFGIWKN-AGUYFDCRSA-N 2 2 263.385 2.396 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC000092341860 180365797 /nfs/dbraw/zinc/36/57/97/180365797.db2.gz IUOCCDLAFGIWKN-AGUYFDCRSA-N 2 2 263.385 2.396 10 0 CEAELP Cc1cc(NC(=O)c2csc([C@H](C)[NH3+])n2)cc[nH+]1 ZINC000092349815 180366927 /nfs/dbraw/zinc/36/69/27/180366927.db2.gz SREZRJDIVGURJG-QMMMGPOBSA-N 2 2 262.338 2.119 10 0 CEAELP CCc1nnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)o1 ZINC000105897156 186085984 /nfs/dbraw/zinc/08/59/84/186085984.db2.gz IGSTZPIUFNHBHX-LBPRGKRZSA-N 2 2 289.383 2.228 10 0 CEAELP CCc1nnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)o1 ZINC000105897156 186085985 /nfs/dbraw/zinc/08/59/85/186085985.db2.gz IGSTZPIUFNHBHX-LBPRGKRZSA-N 2 2 289.383 2.228 10 0 CEAELP CC[N@H+](CCOC)[C@@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384715 180373860 /nfs/dbraw/zinc/37/38/60/180373860.db2.gz KLIKHYZVEWEMGW-QGZVFWFLSA-N 2 2 292.423 2.154 10 0 CEAELP CC[N@@H+](CCOC)[C@@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384715 180373862 /nfs/dbraw/zinc/37/38/62/180373862.db2.gz KLIKHYZVEWEMGW-QGZVFWFLSA-N 2 2 292.423 2.154 10 0 CEAELP C[C@@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)[nH+]c21 ZINC000107827593 186194672 /nfs/dbraw/zinc/19/46/72/186194672.db2.gz BJJNQEBMQHUQKW-ZYHUDNBSSA-N 2 2 285.347 2.156 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154471 186361112 /nfs/dbraw/zinc/36/11/12/186361112.db2.gz WMGKHJZKGBXIFK-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154471 186361114 /nfs/dbraw/zinc/36/11/14/186361114.db2.gz WMGKHJZKGBXIFK-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(C)s1 ZINC000111116625 186353285 /nfs/dbraw/zinc/35/32/85/186353285.db2.gz UFGCADMISKRJKR-GFCCVEGCSA-N 2 2 256.415 2.415 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(C)s1 ZINC000111116625 186353287 /nfs/dbraw/zinc/35/32/87/186353287.db2.gz UFGCADMISKRJKR-GFCCVEGCSA-N 2 2 256.415 2.415 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116609 186353599 /nfs/dbraw/zinc/35/35/99/186353599.db2.gz VKQUWXOWVRTRMK-UKRRQHHQSA-N 2 2 250.386 2.433 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116609 186353600 /nfs/dbraw/zinc/35/36/00/186353600.db2.gz VKQUWXOWVRTRMK-UKRRQHHQSA-N 2 2 250.386 2.433 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117862 186355427 /nfs/dbraw/zinc/35/54/27/186355427.db2.gz DTHDOHJENNTTBG-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OCC)cc1 ZINC000111117862 186355429 /nfs/dbraw/zinc/35/54/29/186355429.db2.gz DTHDOHJENNTTBG-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116960 186355542 /nfs/dbraw/zinc/35/55/42/186355542.db2.gz REXBJUORJKMSCS-DGCLKSJQSA-N 2 2 256.415 2.495 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000111116960 186355544 /nfs/dbraw/zinc/35/55/44/186355544.db2.gz REXBJUORJKMSCS-DGCLKSJQSA-N 2 2 256.415 2.495 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154971 186359858 /nfs/dbraw/zinc/35/98/58/186359858.db2.gz RLLVKXUCDXPRHV-SGMGOOAPSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154971 186359860 /nfs/dbraw/zinc/35/98/60/186359860.db2.gz RLLVKXUCDXPRHV-SGMGOOAPSA-N 2 2 268.426 2.495 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154615 186360073 /nfs/dbraw/zinc/36/00/73/186360073.db2.gz BCSQAZUBAGCSNV-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154615 186360074 /nfs/dbraw/zinc/36/00/74/186360074.db2.gz BCSQAZUBAGCSNV-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)C[C@H]2CCCOC2)[nH+]1 ZINC000111153699 186360172 /nfs/dbraw/zinc/36/01/72/186360172.db2.gz FKNBCKNBPTZQEI-CYBMUJFWSA-N 2 2 263.385 2.020 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174959 186364774 /nfs/dbraw/zinc/36/47/74/186364774.db2.gz VHBNQEUPNVSPAM-DZGCQCFKSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174959 186364776 /nfs/dbraw/zinc/36/47/76/186364776.db2.gz VHBNQEUPNVSPAM-DZGCQCFKSA-N 2 2 254.418 2.121 10 0 CEAELP [NH3+]C[C@H]([C@H]1CCCOC1)[NH+]1CCC2(CCCC2)CC1 ZINC000111321275 186397449 /nfs/dbraw/zinc/39/74/49/186397449.db2.gz DNMMEBDBHHPMAL-LSDHHAIUSA-N 2 2 266.429 2.397 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000122839137 187054639 /nfs/dbraw/zinc/05/46/39/187054639.db2.gz GBCQGJALHPNIDC-OAHLLOKOSA-N 2 2 287.411 2.325 10 0 CEAELP CCOC(C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1)OCC ZINC000124208007 187126868 /nfs/dbraw/zinc/12/68/68/187126868.db2.gz LGUCSZVPHVHEAR-AWEZNQCLSA-N 2 2 295.427 2.482 10 0 CEAELP CCOC(C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1)OCC ZINC000124208007 187126869 /nfs/dbraw/zinc/12/68/69/187126869.db2.gz LGUCSZVPHVHEAR-AWEZNQCLSA-N 2 2 295.427 2.482 10 0 CEAELP CCC[C@H](C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000154516743 188147475 /nfs/dbraw/zinc/14/74/75/188147475.db2.gz JECRMHBTFHISPL-RRFJBIMHSA-N 2 2 292.427 2.023 10 0 CEAELP C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236375 213067866 /nfs/dbraw/zinc/06/78/66/213067866.db2.gz KYGHZROWVMYCKC-BBRMVZONSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236375 213067868 /nfs/dbraw/zinc/06/78/68/213067868.db2.gz KYGHZROWVMYCKC-BBRMVZONSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151266901 366634910 /nfs/dbraw/zinc/63/49/10/366634910.db2.gz KZXGHKSFYOFGKD-STQMWFEESA-N 2 2 268.426 2.246 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151338410 366639722 /nfs/dbraw/zinc/63/97/22/366639722.db2.gz ASMPRWBLUXYQQQ-KBPBESRZSA-N 2 2 266.385 2.085 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCS1 ZINC000177120581 189029791 /nfs/dbraw/zinc/02/97/91/189029791.db2.gz WBOPVPBNFIXZJY-LBPRGKRZSA-N 2 2 274.393 2.205 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCS1 ZINC000177120581 189029792 /nfs/dbraw/zinc/02/97/92/189029792.db2.gz WBOPVPBNFIXZJY-LBPRGKRZSA-N 2 2 274.393 2.205 10 0 CEAELP CC[C@@H](C)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120486996 365430998 /nfs/dbraw/zinc/43/09/98/365430998.db2.gz ZCNIJEMMIIVHRW-OAHLLOKOSA-N 2 2 278.444 2.325 10 0 CEAELP CC[C@@H](C)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120486996 365431001 /nfs/dbraw/zinc/43/10/01/365431001.db2.gz ZCNIJEMMIIVHRW-OAHLLOKOSA-N 2 2 278.444 2.325 10 0 CEAELP C[C@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000631839573 367581309 /nfs/dbraw/zinc/58/13/09/367581309.db2.gz HUXUZAVCSGJERI-WDEREUQCSA-N 2 2 278.787 2.014 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000631839573 367581315 /nfs/dbraw/zinc/58/13/15/367581315.db2.gz HUXUZAVCSGJERI-WDEREUQCSA-N 2 2 278.787 2.014 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)OC(C)C)C1 ZINC000173698344 367935914 /nfs/dbraw/zinc/93/59/14/367935914.db2.gz OKUTUWKQJFUDCK-AWEZNQCLSA-N 2 2 293.411 2.424 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000173698344 367935918 /nfs/dbraw/zinc/93/59/18/367935918.db2.gz OKUTUWKQJFUDCK-AWEZNQCLSA-N 2 2 293.411 2.424 10 0 CEAELP C[C@H]([NH2+]Cc1ncc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650984 368052159 /nfs/dbraw/zinc/05/21/59/368052159.db2.gz VIHZWYYUBSHKKZ-LBPRGKRZSA-N 2 2 267.336 2.446 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000634998496 369030156 /nfs/dbraw/zinc/03/01/56/369030156.db2.gz GJLSADZYCSQNMJ-WPRPVWTQSA-N 2 2 258.287 2.131 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000634998496 369030161 /nfs/dbraw/zinc/03/01/61/369030161.db2.gz GJLSADZYCSQNMJ-WPRPVWTQSA-N 2 2 258.287 2.131 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669415 370486284 /nfs/dbraw/zinc/48/62/84/370486284.db2.gz DZBQBELOQIYUCN-INIZCTEOSA-N 2 2 297.487 2.201 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669415 370486287 /nfs/dbraw/zinc/48/62/87/370486287.db2.gz DZBQBELOQIYUCN-INIZCTEOSA-N 2 2 297.487 2.201 10 0 CEAELP C[C@H](CC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000249037052 371285386 /nfs/dbraw/zinc/28/53/86/371285386.db2.gz SWQRLIDPJOOYQO-WBVHZDCISA-N 2 2 276.424 2.443 10 0 CEAELP C[C@H](CC[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000249037052 371285391 /nfs/dbraw/zinc/28/53/91/371285391.db2.gz SWQRLIDPJOOYQO-WBVHZDCISA-N 2 2 276.424 2.443 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)[nH+]c1 ZINC000249921836 371369893 /nfs/dbraw/zinc/36/98/93/371369893.db2.gz YYNDIUDZAYRYDS-LSDHHAIUSA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)[nH+]c1 ZINC000249921836 371369898 /nfs/dbraw/zinc/36/98/98/371369898.db2.gz YYNDIUDZAYRYDS-LSDHHAIUSA-N 2 2 275.396 2.385 10 0 CEAELP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000261625703 371681711 /nfs/dbraw/zinc/68/17/11/371681711.db2.gz DLBMKXCJDJLHFB-SNVBAGLBSA-N 2 2 294.786 2.245 10 0 CEAELP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000261625703 371681720 /nfs/dbraw/zinc/68/17/20/371681720.db2.gz DLBMKXCJDJLHFB-SNVBAGLBSA-N 2 2 294.786 2.245 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@H]1[NH3+] ZINC000262120530 371825858 /nfs/dbraw/zinc/82/58/58/371825858.db2.gz XGNXDMQHRVEFSG-JOYOIKCWSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@H]1[NH3+] ZINC000262120530 371825861 /nfs/dbraw/zinc/82/58/61/371825861.db2.gz XGNXDMQHRVEFSG-JOYOIKCWSA-N 2 2 256.296 2.067 10 0 CEAELP [NH3+]Cc1nc(C[N@H+](CC2CCCCC2)C2CC2)no1 ZINC000262261237 371843600 /nfs/dbraw/zinc/84/36/00/371843600.db2.gz RGHBCFYCTSEKHT-UHFFFAOYSA-N 2 2 264.373 2.073 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+](CC2CCCCC2)C2CC2)no1 ZINC000262261237 371843606 /nfs/dbraw/zinc/84/36/06/371843606.db2.gz RGHBCFYCTSEKHT-UHFFFAOYSA-N 2 2 264.373 2.073 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000361661560 372011588 /nfs/dbraw/zinc/01/15/88/372011588.db2.gz GLDKOLXISWQMFA-IIAWOOMASA-N 2 2 262.397 2.131 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000361661560 372011593 /nfs/dbraw/zinc/01/15/93/372011593.db2.gz GLDKOLXISWQMFA-IIAWOOMASA-N 2 2 262.397 2.131 10 0 CEAELP CCc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC000272913788 373707698 /nfs/dbraw/zinc/70/76/98/373707698.db2.gz RTKCIMNZKUDLQW-SMDDNHRTSA-N 2 2 262.401 2.488 10 0 CEAELP CCc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC000272913788 373707706 /nfs/dbraw/zinc/70/77/06/373707706.db2.gz RTKCIMNZKUDLQW-SMDDNHRTSA-N 2 2 262.401 2.488 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000389298789 375301697 /nfs/dbraw/zinc/30/16/97/375301697.db2.gz ZDSJCIMQTANUHU-OAHLLOKOSA-N 2 2 270.380 2.261 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000389298789 375301704 /nfs/dbraw/zinc/30/17/04/375301704.db2.gz ZDSJCIMQTANUHU-OAHLLOKOSA-N 2 2 270.380 2.261 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475874 375303853 /nfs/dbraw/zinc/30/38/53/375303853.db2.gz WFDFJXPMEJGAID-UKRRQHHQSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475874 375303856 /nfs/dbraw/zinc/30/38/56/375303856.db2.gz WFDFJXPMEJGAID-UKRRQHHQSA-N 2 2 275.396 2.088 10 0 CEAELP O[C@H](C[NH2+]Cc1ccsc1Cl)C[NH+]1CCCCC1 ZINC000312762769 376728375 /nfs/dbraw/zinc/72/83/75/376728375.db2.gz WAKPDPHIEFUDQX-GFCCVEGCSA-N 2 2 288.844 2.338 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2CN(c3[nH+]ccc4ccccc43)C[C@H]12 ZINC000311992064 376698485 /nfs/dbraw/zinc/69/84/85/376698485.db2.gz SJFBYECETZLAKX-VHDGCEQUSA-N 2 2 253.349 2.408 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)c[nH+]1 ZINC000188415000 542322564 /nfs/dbraw/zinc/32/25/64/542322564.db2.gz DMWXHUZQYNFQRX-AWEZNQCLSA-N 2 2 285.347 2.276 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cccc3c2OCO3)c[nH+]1 ZINC000188415000 542322567 /nfs/dbraw/zinc/32/25/67/542322567.db2.gz DMWXHUZQYNFQRX-AWEZNQCLSA-N 2 2 285.347 2.276 10 0 CEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093205438 184655096 /nfs/dbraw/zinc/65/50/96/184655096.db2.gz WBHZQNHSMLKACQ-STQMWFEESA-N 2 2 299.459 2.362 10 0 CEAELP c1cnn(-c2ccc([NH2+]CC3CC[NH2+]CC3)cc2)c1 ZINC000094009835 184749616 /nfs/dbraw/zinc/74/96/16/184749616.db2.gz CDUAFOSEQNCHNX-UHFFFAOYSA-N 2 2 256.353 2.284 10 0 CEAELP c1ccc([C@H](C[NH2+]CC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000094009538 184749827 /nfs/dbraw/zinc/74/98/27/184749827.db2.gz JJCOQKWTPJKVTH-SFHVURJKSA-N 3 2 287.451 2.413 10 0 CEAELP C[NH+](C)C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074937 184754275 /nfs/dbraw/zinc/75/42/75/184754275.db2.gz IIBGPKXBDWAOHV-GPANFISMSA-N 3 2 261.413 2.149 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H]([NH3+])[C@@H]1COc2ccccc2C1 ZINC000094162130 184757579 /nfs/dbraw/zinc/75/75/79/184757579.db2.gz QZRLAJQWWOZELA-LSDHHAIUSA-N 2 2 285.391 2.414 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2cccnc2OC)CCC[NH2+]1 ZINC000095011728 184915590 /nfs/dbraw/zinc/91/55/90/184915590.db2.gz NMXXBMIDEWHBCF-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2cccnc2OC)CCC[NH2+]1 ZINC000095011728 184915591 /nfs/dbraw/zinc/91/55/91/184915591.db2.gz NMXXBMIDEWHBCF-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000250810127 131127001 /nfs/dbraw/zinc/12/70/01/131127001.db2.gz KNICGWURTWFITR-SJORKVTESA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000250810127 131127002 /nfs/dbraw/zinc/12/70/02/131127002.db2.gz KNICGWURTWFITR-SJORKVTESA-N 2 2 274.408 2.072 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000086120032 135038562 /nfs/dbraw/zinc/03/85/62/135038562.db2.gz VPGLVUGQRVUKBY-QGZVFWFLSA-N 2 2 291.414 2.465 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)cc[nH+]1 ZINC000088416198 135054029 /nfs/dbraw/zinc/05/40/29/135054029.db2.gz KGDZHLRZIUMANQ-SECBINFHSA-N 2 2 259.275 2.319 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999879 394534251 /nfs/dbraw/zinc/53/42/51/394534251.db2.gz DJMPNRXYLVVBJB-CYBMUJFWSA-N 2 2 299.459 2.364 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000309999879 394534252 /nfs/dbraw/zinc/53/42/52/394534252.db2.gz DJMPNRXYLVVBJB-CYBMUJFWSA-N 2 2 299.459 2.364 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261613646 394603981 /nfs/dbraw/zinc/60/39/81/394603981.db2.gz SUTPSMZXIWWXBL-KOLCDFICSA-N 2 2 271.286 2.289 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]12 ZINC000261680944 394605746 /nfs/dbraw/zinc/60/57/46/394605746.db2.gz MKGYIEXWZOEMSO-XOKHGSTOSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@H]12 ZINC000261680944 394605750 /nfs/dbraw/zinc/60/57/50/394605750.db2.gz MKGYIEXWZOEMSO-XOKHGSTOSA-N 2 2 282.391 2.041 10 0 CEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cn1 ZINC000414129888 394711341 /nfs/dbraw/zinc/71/13/41/394711341.db2.gz WAYWPXGLHSTPKQ-JTQLQIEISA-N 2 2 264.760 2.362 10 0 CEAELP COCC1(C[NH2+][C@H](CC(C)C)C[NH+](C)C)CCC1 ZINC000386561773 400527899 /nfs/dbraw/zinc/52/78/99/400527899.db2.gz VMYKSZJUGVGEQW-CQSZACIVSA-N 2 2 256.434 2.369 10 0 CEAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)n[nH]1 ZINC000399613838 400564220 /nfs/dbraw/zinc/56/42/20/400564220.db2.gz IQVAUMNKFHAYLA-FKEKPDDDSA-N 2 2 282.391 2.020 10 0 CEAELP c1cc(C[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)n[nH]1 ZINC000399613838 400564224 /nfs/dbraw/zinc/56/42/24/400564224.db2.gz IQVAUMNKFHAYLA-FKEKPDDDSA-N 2 2 282.391 2.020 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189509861 153098099 /nfs/dbraw/zinc/09/80/99/153098099.db2.gz PBBDUOSVVHRZRY-GJZGRUSLSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000189509861 153098102 /nfs/dbraw/zinc/09/81/02/153098102.db2.gz PBBDUOSVVHRZRY-GJZGRUSLSA-N 2 2 263.385 2.225 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680929 153808432 /nfs/dbraw/zinc/80/84/32/153808432.db2.gz MKGYIEXWZOEMSO-IAOVAPTHSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680929 153808437 /nfs/dbraw/zinc/80/84/37/153808437.db2.gz MKGYIEXWZOEMSO-IAOVAPTHSA-N 2 2 282.391 2.041 10 0 CEAELP Cc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000258973935 162538232 /nfs/dbraw/zinc/53/82/32/162538232.db2.gz LPNGUEFXWVMHLB-LBPRGKRZSA-N 2 2 269.186 2.209 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000171614863 165049975 /nfs/dbraw/zinc/04/99/75/165049975.db2.gz VSQXRITVCNIMMG-CQSZACIVSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000171614863 165049977 /nfs/dbraw/zinc/04/99/77/165049977.db2.gz VSQXRITVCNIMMG-CQSZACIVSA-N 2 2 287.411 2.499 10 0 CEAELP [NH3+][C@H](CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020273996 171130832 /nfs/dbraw/zinc/13/08/32/171130832.db2.gz XFOSGQDFVFKUFM-CYBMUJFWSA-N 2 2 254.761 2.062 10 0 CEAELP C[NH+](C)[C@@H](C[NH3+])COc1cccc(C(C)(C)C)c1 ZINC000020400052 171181462 /nfs/dbraw/zinc/18/14/62/171181462.db2.gz ZGOUOCFMSZJABQ-ZDUSSCGKSA-N 2 2 250.386 2.252 10 0 CEAELP CCCCN(CCCC)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000020484848 171224136 /nfs/dbraw/zinc/22/41/36/171224136.db2.gz RKJNGJCLCXPLQN-INIZCTEOSA-N 2 2 267.461 2.312 10 0 CEAELP Clc1cc(C[NH2+]CCCn2cc[nH+]c2)cc2c1OCO2 ZINC000037300907 173106533 /nfs/dbraw/zinc/10/65/33/173106533.db2.gz ZKRHAIZXTOHKBY-UHFFFAOYSA-N 2 2 293.754 2.445 10 0 CEAELP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000037394131 173174584 /nfs/dbraw/zinc/17/45/84/173174584.db2.gz KSWBZNVFWZSQJY-CYBMUJFWSA-N 2 2 272.433 2.428 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000037484744 173229615 /nfs/dbraw/zinc/22/96/15/173229615.db2.gz WCYRFKAWLQGHAW-LLVKDONJSA-N 2 2 283.213 2.490 10 0 CEAELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000037484744 173229616 /nfs/dbraw/zinc/22/96/16/173229616.db2.gz WCYRFKAWLQGHAW-LLVKDONJSA-N 2 2 283.213 2.490 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)CCc2ccccn2)[nH+]1 ZINC000040509357 174303627 /nfs/dbraw/zinc/30/36/27/174303627.db2.gz NMUKAPCNTLMBLQ-UHFFFAOYSA-N 2 2 270.380 2.231 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600028 174350222 /nfs/dbraw/zinc/35/02/22/174350222.db2.gz XCWGPQNSFBOTAU-ZDUSSCGKSA-N 2 2 286.379 2.168 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000040600028 174350223 /nfs/dbraw/zinc/35/02/23/174350223.db2.gz XCWGPQNSFBOTAU-ZDUSSCGKSA-N 2 2 286.379 2.168 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000040639073 174363321 /nfs/dbraw/zinc/36/33/21/174363321.db2.gz ASBLZGSIZIZWKV-UHFFFAOYSA-N 2 2 259.397 2.377 10 0 CEAELP Nc1c(Nc2cc[nH+]cc2)nc[nH+]c1NCc1ccco1 ZINC000040687577 174375936 /nfs/dbraw/zinc/37/59/36/174375936.db2.gz TWWMCJREIRXJSB-UHFFFAOYSA-N 2 2 282.307 2.403 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000040689105 174376066 /nfs/dbraw/zinc/37/60/66/174376066.db2.gz YVUMJJJJYHWPMZ-INIZCTEOSA-N 2 2 262.397 2.496 10 0 CEAELP O=C1CCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694261 174377824 /nfs/dbraw/zinc/37/78/24/174377824.db2.gz NAKDXWVLGQMTNA-OAHLLOKOSA-N 2 2 264.413 2.448 10 0 CEAELP O=C1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694263 174377894 /nfs/dbraw/zinc/37/78/94/174377894.db2.gz NAKDXWVLGQMTNA-HNNXBMFYSA-N 2 2 264.413 2.448 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336186 175011983 /nfs/dbraw/zinc/01/19/83/175011983.db2.gz RFTMUPUPQUGNMX-OUCADQQQSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336186 175011984 /nfs/dbraw/zinc/01/19/84/175011984.db2.gz RFTMUPUPQUGNMX-OUCADQQQSA-N 2 2 254.374 2.415 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043339691 175013793 /nfs/dbraw/zinc/01/37/93/175013793.db2.gz FOLUUDUGQFUADP-HOCLYGCPSA-N 2 2 277.412 2.361 10 0 CEAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341029 175015204 /nfs/dbraw/zinc/01/52/04/175015204.db2.gz XIYGLCUHYVCCHM-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341029 175015205 /nfs/dbraw/zinc/01/52/05/175015205.db2.gz XIYGLCUHYVCCHM-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043347942 175017954 /nfs/dbraw/zinc/01/79/54/175017954.db2.gz JNTTZIKYCURXJZ-DLBZAZTESA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353857 175020713 /nfs/dbraw/zinc/02/07/13/175020713.db2.gz JUMIUHHLGQIDCC-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353857 175020714 /nfs/dbraw/zinc/02/07/14/175020714.db2.gz JUMIUHHLGQIDCC-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP COC1CC[NH+]([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364099 175024495 /nfs/dbraw/zinc/02/44/95/175024495.db2.gz KXOIUGQGILYZPV-RISCZKNCSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](CCO)C2CCCC2)o1 ZINC000043365203 175026928 /nfs/dbraw/zinc/02/69/28/175026928.db2.gz JREATOBTYMGGAC-WFASDCNBSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CCCC2)o1 ZINC000043365203 175026929 /nfs/dbraw/zinc/02/69/29/175026929.db2.gz JREATOBTYMGGAC-WFASDCNBSA-N 2 2 266.385 2.213 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCCCC1 ZINC000043815166 175111561 /nfs/dbraw/zinc/11/15/61/175111561.db2.gz AIBCGADYUOPFDG-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCC1 ZINC000043815166 175111562 /nfs/dbraw/zinc/11/15/62/175111562.db2.gz AIBCGADYUOPFDG-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913701 175124123 /nfs/dbraw/zinc/12/41/23/175124123.db2.gz WPNNWBFZNNEBQY-CBBWQLFWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913701 175124124 /nfs/dbraw/zinc/12/41/24/175124124.db2.gz WPNNWBFZNNEBQY-CBBWQLFWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)[NH+](CCOC)CCOC ZINC000043912611 175124537 /nfs/dbraw/zinc/12/45/37/175124537.db2.gz NMMALRXACVVSDY-DLBZAZTESA-N 2 2 294.439 2.321 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916948 175125750 /nfs/dbraw/zinc/12/57/50/175125750.db2.gz JMPMZWVBERGFMW-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916948 175125751 /nfs/dbraw/zinc/12/57/51/175125751.db2.gz JMPMZWVBERGFMW-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043965804 175127113 /nfs/dbraw/zinc/12/71/13/175127113.db2.gz ZSFMCUNNJPGJIQ-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965804 175127114 /nfs/dbraw/zinc/12/71/14/175127114.db2.gz ZSFMCUNNJPGJIQ-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H](C)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970829 175131904 /nfs/dbraw/zinc/13/19/04/175131904.db2.gz LKKMXHZRHDQXET-KGLIPLIRSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067056 175300283 /nfs/dbraw/zinc/30/02/83/175300283.db2.gz NXBNMSFXCYRGJI-WQVCFCJDSA-N 2 2 276.428 2.463 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067056 175300284 /nfs/dbraw/zinc/30/02/84/175300284.db2.gz NXBNMSFXCYRGJI-WQVCFCJDSA-N 2 2 276.428 2.463 10 0 CEAELP Cn1cc[nH+]c1CCNc1ccc(N)c2c[nH+]ccc12 ZINC000045118476 175311339 /nfs/dbraw/zinc/31/13/39/175311339.db2.gz CHHRCHZONRATMQ-UHFFFAOYSA-N 2 2 267.336 2.205 10 0 CEAELP CCC1CCC([N@H+](C)CC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045281162 175352039 /nfs/dbraw/zinc/35/20/39/175352039.db2.gz ADUJVHDJHCRHPS-PGEKIEPBSA-N 2 2 295.471 2.273 10 0 CEAELP CCC1CCC([N@@H+](C)CC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045281162 175352042 /nfs/dbraw/zinc/35/20/42/175352042.db2.gz ADUJVHDJHCRHPS-PGEKIEPBSA-N 2 2 295.471 2.273 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C ZINC000045374945 175365382 /nfs/dbraw/zinc/36/53/82/175365382.db2.gz PKPVJTMIVCSKAE-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP COC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045375011 175365543 /nfs/dbraw/zinc/36/55/43/175365543.db2.gz KMHZGELPXMVXCY-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)c1ccccc1CC[NH3+] ZINC000070542408 175977778 /nfs/dbraw/zinc/97/77/78/175977778.db2.gz YVPJKPCNPWPWSE-UHFFFAOYSA-N 2 2 255.321 2.144 10 0 CEAELP CC[N@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092219 176031906 /nfs/dbraw/zinc/03/19/06/176031906.db2.gz UNDROZLFSNUAOH-WBVHZDCISA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092219 176031907 /nfs/dbraw/zinc/03/19/07/176031907.db2.gz UNDROZLFSNUAOH-WBVHZDCISA-N 2 2 274.408 2.374 10 0 CEAELP C[N@@H+](Cc1cc(N)ccc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000071187771 176061182 /nfs/dbraw/zinc/06/11/82/176061182.db2.gz KMKIUYGFCAROQU-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[N@H+](Cc1cc(N)ccc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000071187771 176061184 /nfs/dbraw/zinc/06/11/84/176061184.db2.gz KMKIUYGFCAROQU-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1cc(N)ccc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071187771 176061185 /nfs/dbraw/zinc/06/11/85/176061185.db2.gz KMKIUYGFCAROQU-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1cc(N)ccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000071187771 176061186 /nfs/dbraw/zinc/06/11/86/176061186.db2.gz KMKIUYGFCAROQU-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071200990 176077851 /nfs/dbraw/zinc/07/78/51/176077851.db2.gz YTCMLHOPNNKHEI-INIZCTEOSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071200990 176077852 /nfs/dbraw/zinc/07/78/52/176077852.db2.gz YTCMLHOPNNKHEI-INIZCTEOSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309631 176116827 /nfs/dbraw/zinc/11/68/27/176116827.db2.gz PWSXOEAGZLAJIU-TZMCWYRMSA-N 2 2 276.380 2.203 10 0 CEAELP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309631 176116828 /nfs/dbraw/zinc/11/68/28/176116828.db2.gz PWSXOEAGZLAJIU-TZMCWYRMSA-N 2 2 276.380 2.203 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071312311 176119406 /nfs/dbraw/zinc/11/94/06/176119406.db2.gz JFFPULVVFOZSCF-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071312311 176119407 /nfs/dbraw/zinc/11/94/07/176119407.db2.gz JFFPULVVFOZSCF-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP CCC[N@H+]([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CC[NH2+]C1 ZINC000071315013 176121653 /nfs/dbraw/zinc/12/16/53/176121653.db2.gz OWUDEWBMYDUTEN-UONOGXRCSA-N 2 2 264.417 2.172 10 0 CEAELP CCC[N@@H+]([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CC[NH2+]C1 ZINC000071315013 176121654 /nfs/dbraw/zinc/12/16/54/176121654.db2.gz OWUDEWBMYDUTEN-UONOGXRCSA-N 2 2 264.417 2.172 10 0 CEAELP c1ccc(C[NH2+]C[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000022867142 275067251 /nfs/dbraw/zinc/06/72/51/275067251.db2.gz SQEFOVHLFDGELY-QGZVFWFLSA-N 2 2 252.361 2.491 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](CC(C)C)CN(C)C)CC1 ZINC000037166739 279262342 /nfs/dbraw/zinc/26/23/42/279262342.db2.gz DWYGZCRLKNHJEO-OAHLLOKOSA-N 2 2 255.450 2.037 10 0 CEAELP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)sc1C ZINC000571651930 314100770 /nfs/dbraw/zinc/10/07/70/314100770.db2.gz IRGAMXVIDDMNBW-CMPLNLGQSA-N 2 2 253.415 2.238 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396410312 329320081 /nfs/dbraw/zinc/32/00/81/329320081.db2.gz FYPQERAYUIQAJQ-OTTFEQOBSA-N 2 2 294.361 2.296 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396410312 329320083 /nfs/dbraw/zinc/32/00/83/329320083.db2.gz FYPQERAYUIQAJQ-OTTFEQOBSA-N 2 2 294.361 2.296 10 0 CEAELP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2csc(C)n2)O1 ZINC000052505951 519951558 /nfs/dbraw/zinc/95/15/58/519951558.db2.gz DXOKFDFBHQAHKG-KBPBESRZSA-N 2 2 283.441 2.040 10 0 CEAELP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2csc(C)n2)O1 ZINC000052505951 519951570 /nfs/dbraw/zinc/95/15/70/519951570.db2.gz DXOKFDFBHQAHKG-KBPBESRZSA-N 2 2 283.441 2.040 10 0 CEAELP CCC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1CC)C(=O)OC ZINC000068649423 520112966 /nfs/dbraw/zinc/11/29/66/520112966.db2.gz WFVKKOPPORCDAP-IUODEOHRSA-N 2 2 281.400 2.328 10 0 CEAELP CCOC(=O)[C@](C)(C[C@@H](C)n1cc[nH+]c1C)[NH2+]C(C)C ZINC000068648834 521325358 /nfs/dbraw/zinc/32/53/58/521325358.db2.gz FWUWULFXMQCYIZ-DOMZBBRYSA-N 2 2 281.400 2.462 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1C[NH+]1CCC([NH+](C)C)CC1 ZINC000053866846 522491318 /nfs/dbraw/zinc/49/13/18/522491318.db2.gz UQUUIRGJUJENOC-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)(C)[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068692804 518946068 /nfs/dbraw/zinc/94/60/68/518946068.db2.gz PXVWVIHVHOWCJP-AWEZNQCLSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)C[NH2+]CC1(C[NH+]2C[C@@H](C)O[C@H](C)C2)CCOCC1 ZINC000052180777 519742925 /nfs/dbraw/zinc/74/29/25/519742925.db2.gz LMLICLZZXWNIQU-HZPDHXFCSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)C[NH2+]CC1(C[NH+]2C[C@H](C)O[C@@H](C)C2)CCOCC1 ZINC000052180776 519743054 /nfs/dbraw/zinc/74/30/54/519743054.db2.gz LMLICLZZXWNIQU-HOTGVXAUSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)C[NH2+]CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573082 519743671 /nfs/dbraw/zinc/74/36/71/519743671.db2.gz APRCERRVTVEKLJ-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)C[NH2+]CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573082 519743672 /nfs/dbraw/zinc/74/36/72/519743672.db2.gz APRCERRVTVEKLJ-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503892 519746418 /nfs/dbraw/zinc/74/64/18/519746418.db2.gz LCKSZKDQSZKHIM-HUUCEWRRSA-N 2 2 297.468 2.368 10 0 CEAELP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503892 519746419 /nfs/dbraw/zinc/74/64/19/519746419.db2.gz LCKSZKDQSZKHIM-HUUCEWRRSA-N 2 2 297.468 2.368 10 0 CEAELP CC(C)C[NH2+]Cc1c(-n2cc[nH+]c2)nc2sccn12 ZINC000062738558 519746689 /nfs/dbraw/zinc/74/66/89/519746689.db2.gz SKOIUQCGYZBOMP-UHFFFAOYSA-N 2 2 275.381 2.327 10 0 CEAELP CC(C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@H](C)C[NH2+]1 ZINC000068694975 519826829 /nfs/dbraw/zinc/82/68/29/519826829.db2.gz RLLXJFWGQWXCGV-DZGCQCFKSA-N 2 2 272.396 2.153 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)Cn1cc[nH+]c1 ZINC000054602801 519909831 /nfs/dbraw/zinc/90/98/31/519909831.db2.gz BYMZATMWTBFLKR-HNSVSWJLSA-N 2 2 276.428 2.267 10 0 CEAELP CC[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417252 519932072 /nfs/dbraw/zinc/93/20/72/519932072.db2.gz VQUXTRSVFRJNLD-KRWDZBQOSA-N 2 2 275.440 2.443 10 0 CEAELP CC[NH2+]C[C@@H](C)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417237 519942872 /nfs/dbraw/zinc/94/28/72/519942872.db2.gz ZSGYXDYKUUCSLV-CYBMUJFWSA-N 2 2 292.423 2.308 10 0 CEAELP CC[NH2+]C[C@@H](C)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417237 519942877 /nfs/dbraw/zinc/94/28/77/519942877.db2.gz ZSGYXDYKUUCSLV-CYBMUJFWSA-N 2 2 292.423 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000052419931 519988283 /nfs/dbraw/zinc/98/82/83/519988283.db2.gz WLCQMLZYOWENCM-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c(C)o1 ZINC000052419931 519988293 /nfs/dbraw/zinc/98/82/93/519988293.db2.gz WLCQMLZYOWENCM-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCOC(C)(C)C2)cc1C ZINC000052481945 520026832 /nfs/dbraw/zinc/02/68/32/520026832.db2.gz AFAPQLIYWJLNMO-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCOC(C)(C)C2)cc1C ZINC000052481945 520026842 /nfs/dbraw/zinc/02/68/42/520026842.db2.gz AFAPQLIYWJLNMO-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CCC[NH2+][C@H](C[N@H+](C)CCc1ccncc1)C1CC1 ZINC000069073982 520080090 /nfs/dbraw/zinc/08/00/90/520080090.db2.gz LTUNGYRORHTEHS-MRXNPFEDSA-N 2 2 261.413 2.334 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+](C)CCc1ccncc1)C1CC1 ZINC000069073982 520080096 /nfs/dbraw/zinc/08/00/96/520080096.db2.gz LTUNGYRORHTEHS-MRXNPFEDSA-N 2 2 261.413 2.334 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)[NH2+]C ZINC000069516540 521144495 /nfs/dbraw/zinc/14/44/95/521144495.db2.gz DPLKYPBWOXNCAL-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC(C)(C)C1)[NH2+]C ZINC000069516540 521144500 /nfs/dbraw/zinc/14/45/00/521144500.db2.gz DPLKYPBWOXNCAL-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@@](Cn1cc[nH+]c1CC)([NH2+]C(C)C)C1CC1 ZINC000069193312 521169055 /nfs/dbraw/zinc/16/90/55/521169055.db2.gz PXOQKIKAHSSQBQ-INIZCTEOSA-N 2 2 293.411 2.155 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818332 522651533 /nfs/dbraw/zinc/65/15/33/522651533.db2.gz NRETZMOIWMRXKD-ZIAGYGMSSA-N 2 2 264.417 2.321 10 0 CEAELP CN(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000061994419 522866535 /nfs/dbraw/zinc/86/65/35/522866535.db2.gz DFJAYROPZWKOGJ-UHFFFAOYSA-N 2 2 270.380 2.056 10 0 CEAELP C[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502612 523054867 /nfs/dbraw/zinc/05/48/67/523054867.db2.gz ZSJXIKWOSIVUJM-HOCLYGCPSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502612 523054878 /nfs/dbraw/zinc/05/48/78/523054878.db2.gz ZSJXIKWOSIVUJM-HOCLYGCPSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@H+](Cc1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000050442838 523229023 /nfs/dbraw/zinc/22/90/23/523229023.db2.gz GBPLZRNSHRKGBO-UHFFFAOYSA-N 2 2 267.804 2.448 10 0 CEAELP C[N@@H+](Cc1ccc(Cl)cc1N)C1CC[NH+](C)CC1 ZINC000050442838 523229034 /nfs/dbraw/zinc/22/90/34/523229034.db2.gz GBPLZRNSHRKGBO-UHFFFAOYSA-N 2 2 267.804 2.448 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000061815935 523943384 /nfs/dbraw/zinc/94/33/84/523943384.db2.gz WYWNEXVKEFJDNJ-MRXNPFEDSA-N 2 2 292.423 2.156 10 0 CEAELP COCC[NH2+]C[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000061815935 523943387 /nfs/dbraw/zinc/94/33/87/523943387.db2.gz WYWNEXVKEFJDNJ-MRXNPFEDSA-N 2 2 292.423 2.156 10 0 CEAELP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596117 523986887 /nfs/dbraw/zinc/98/68/87/523986887.db2.gz RKWCBOWUVIFMHU-LBPRGKRZSA-N 2 2 299.212 2.122 10 0 CEAELP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)C1 ZINC000049596117 523986890 /nfs/dbraw/zinc/98/68/90/523986890.db2.gz RKWCBOWUVIFMHU-LBPRGKRZSA-N 2 2 299.212 2.122 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049151344 524317238 /nfs/dbraw/zinc/31/72/38/524317238.db2.gz KUAOAINHNWJVTD-GFCCVEGCSA-N 2 2 293.377 2.087 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630045 524337483 /nfs/dbraw/zinc/33/74/83/524337483.db2.gz XTKVHMHPSHCBLD-INMHGKMJSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630045 524337489 /nfs/dbraw/zinc/33/74/89/524337489.db2.gz XTKVHMHPSHCBLD-INMHGKMJSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@H]1C[N@H+](C[C@@](C)(C[NH2+]C2CC2)c2ccccc2)CCO1 ZINC000051210644 524603170 /nfs/dbraw/zinc/60/31/70/524603170.db2.gz WTKPEFOJEOWLBY-MAUKXSAKSA-N 2 2 288.435 2.417 10 0 CEAELP C[C@H]1C[N@@H+](C[C@@](C)(C[NH2+]C2CC2)c2ccccc2)CCO1 ZINC000051210644 524603178 /nfs/dbraw/zinc/60/31/78/524603178.db2.gz WTKPEFOJEOWLBY-MAUKXSAKSA-N 2 2 288.435 2.417 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1F ZINC000062802955 524837113 /nfs/dbraw/zinc/83/71/13/524837113.db2.gz BKSJVTHSCZUGCP-VIFPVBQESA-N 2 2 251.280 2.099 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621149 524853432 /nfs/dbraw/zinc/85/34/32/524853432.db2.gz ZZLQFZDRJXYHAA-BLLLJJGKSA-N 2 2 281.444 2.026 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCC1 ZINC000068621149 524853444 /nfs/dbraw/zinc/85/34/44/524853444.db2.gz ZZLQFZDRJXYHAA-BLLLJJGKSA-N 2 2 281.444 2.026 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000068630470 524863526 /nfs/dbraw/zinc/86/35/26/524863526.db2.gz WBPRTLFCSJSXGC-MKBNYLNASA-N 2 2 283.460 2.127 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000068630470 524863534 /nfs/dbraw/zinc/86/35/34/524863534.db2.gz WBPRTLFCSJSXGC-MKBNYLNASA-N 2 2 283.460 2.127 10 0 CEAELP Cc1ccccc1C[N@@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658098 525127599 /nfs/dbraw/zinc/12/75/99/525127599.db2.gz XJHIHOUANMOIAT-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP Cc1ccccc1C[N@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658098 525127605 /nfs/dbraw/zinc/12/76/05/525127605.db2.gz XJHIHOUANMOIAT-UHFFFAOYSA-N 2 2 268.364 2.306 10 0 CEAELP Cc1[nH+]c[nH]c1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054797030 525460873 /nfs/dbraw/zinc/46/08/73/525460873.db2.gz BUMLDXLKAJCJNE-IUODEOHRSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1ccc([C@H](C[NH3+])N(C)Cc2[nH+]ccn2C)c(C)c1 ZINC000062249837 525952546 /nfs/dbraw/zinc/95/25/46/525952546.db2.gz YKLKPUDNNBYZAP-HNNXBMFYSA-N 2 2 272.396 2.169 10 0 CEAELP Cc1oc(C[N@@H+]2CCOC[C@H]2C)cc1C[NH2+]C(C)C ZINC000052475810 526771094 /nfs/dbraw/zinc/77/10/94/526771094.db2.gz SWAPBIFGBOJVAO-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[N@H+]2CCOC[C@H]2C)cc1C[NH2+]C(C)C ZINC000052475810 526771098 /nfs/dbraw/zinc/77/10/98/526771098.db2.gz SWAPBIFGBOJVAO-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000176076233 623997078 /nfs/dbraw/zinc/99/70/78/623997078.db2.gz KJIHGBWZEUSBTE-GFCCVEGCSA-N 2 2 277.397 2.173 10 0 CEAELP CC(C)[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069608264 343789195 /nfs/dbraw/zinc/78/91/95/343789195.db2.gz QFEQEKSMJZFACY-KRWDZBQOSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069608264 343789196 /nfs/dbraw/zinc/78/91/96/343789196.db2.gz QFEQEKSMJZFACY-KRWDZBQOSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000069608264 343789197 /nfs/dbraw/zinc/78/91/97/343789197.db2.gz QFEQEKSMJZFACY-KRWDZBQOSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000069608264 343789199 /nfs/dbraw/zinc/78/91/99/343789199.db2.gz QFEQEKSMJZFACY-KRWDZBQOSA-N 2 2 276.424 2.352 10 0 CEAELP Brc1c[nH+]ccc1NCc1c[nH+]c[nH]1 ZINC000159859058 344456344 /nfs/dbraw/zinc/45/63/44/344456344.db2.gz TWSATNKIHAFSQT-UHFFFAOYSA-N 2 2 253.103 2.179 10 0 CEAELP CC[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000166122233 344475719 /nfs/dbraw/zinc/47/57/19/344475719.db2.gz HMGNKNLOKVLYSL-AWEZNQCLSA-N 2 2 271.364 2.367 10 0 CEAELP CC[N@H+]1CCO[C@@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000166122233 344475721 /nfs/dbraw/zinc/47/57/21/344475721.db2.gz HMGNKNLOKVLYSL-AWEZNQCLSA-N 2 2 271.364 2.367 10 0 CEAELP c1c(CN(C[C@@H]2CCC[NH2+]2)C2CC2)[nH+]c2ccccn12 ZINC000328654684 344757804 /nfs/dbraw/zinc/75/78/04/344757804.db2.gz XQOHXTGHQQRRRM-ZDUSSCGKSA-N 2 2 270.380 2.051 10 0 CEAELP CC[C@H]1C[N@H+](C[C@@H]2CCCO2)C(CC)(CC)C[NH2+]1 ZINC000085474688 179078381 /nfs/dbraw/zinc/07/83/81/179078381.db2.gz LADDDOYBBUJCLK-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[N@@H+](C[C@@H]2CCCO2)C(CC)(CC)C[NH2+]1 ZINC000085474688 179078382 /nfs/dbraw/zinc/07/83/82/179078382.db2.gz LADDDOYBBUJCLK-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512241 179086312 /nfs/dbraw/zinc/08/63/12/179086312.db2.gz XFPXDTQBEYQMNK-SJORKVTESA-N 2 2 290.455 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512241 179086313 /nfs/dbraw/zinc/08/63/13/179086313.db2.gz XFPXDTQBEYQMNK-SJORKVTESA-N 2 2 290.455 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@](C)(C2CC2)NC[C@@H]1C(C)C ZINC000085512241 179086315 /nfs/dbraw/zinc/08/63/15/179086315.db2.gz XFPXDTQBEYQMNK-SJORKVTESA-N 2 2 290.455 2.290 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085516269 179087264 /nfs/dbraw/zinc/08/72/64/179087264.db2.gz WYFWGYVBTOUYAN-BBWFWOEESA-N 2 2 278.440 2.408 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085516269 179087265 /nfs/dbraw/zinc/08/72/65/179087265.db2.gz WYFWGYVBTOUYAN-BBWFWOEESA-N 2 2 278.440 2.408 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCOC ZINC000085498216 179083440 /nfs/dbraw/zinc/08/34/40/179083440.db2.gz SMPHGPFWPVZIGK-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCOC ZINC000085498216 179083441 /nfs/dbraw/zinc/08/34/41/179083441.db2.gz SMPHGPFWPVZIGK-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529294 179090408 /nfs/dbraw/zinc/09/04/08/179090408.db2.gz AJVOGYODRHUHNX-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529294 179090410 /nfs/dbraw/zinc/09/04/10/179090410.db2.gz AJVOGYODRHUHNX-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610516 179101230 /nfs/dbraw/zinc/10/12/30/179101230.db2.gz VCLLZNAVVBYVNT-UHFFFAOYSA-N 2 2 276.428 2.401 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610516 179101233 /nfs/dbraw/zinc/10/12/33/179101233.db2.gz VCLLZNAVVBYVNT-UHFFFAOYSA-N 2 2 276.428 2.401 10 0 CEAELP COc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085616189 179104406 /nfs/dbraw/zinc/10/44/06/179104406.db2.gz VBNLYWZQUOWNET-OAHLLOKOSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085616189 179104408 /nfs/dbraw/zinc/10/44/08/179104408.db2.gz VBNLYWZQUOWNET-OAHLLOKOSA-N 2 2 260.381 2.269 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085675130 179111971 /nfs/dbraw/zinc/11/19/71/179111971.db2.gz UQQFTUWAJQCMJM-BARDWOONSA-N 2 2 266.429 2.264 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085675130 179111974 /nfs/dbraw/zinc/11/19/74/179111974.db2.gz UQQFTUWAJQCMJM-BARDWOONSA-N 2 2 266.429 2.264 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C12CCCC2 ZINC000085680400 179113645 /nfs/dbraw/zinc/11/36/45/179113645.db2.gz RUKYGZVBOGMGRZ-KFWWJZLASA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C12CCCC2 ZINC000085680400 179113648 /nfs/dbraw/zinc/11/36/48/179113648.db2.gz RUKYGZVBOGMGRZ-KFWWJZLASA-N 2 2 266.429 2.408 10 0 CEAELP CC[NH2+][C@@H](CCO)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922548 179201533 /nfs/dbraw/zinc/20/15/33/179201533.db2.gz KXLKXLIQHPCRJC-LSDHHAIUSA-N 2 2 254.418 2.002 10 0 CEAELP CC[NH2+][C@@H](CCO)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922548 179201535 /nfs/dbraw/zinc/20/15/35/179201535.db2.gz KXLKXLIQHPCRJC-LSDHHAIUSA-N 2 2 254.418 2.002 10 0 CEAELP CC[N@@H+]1CC[C@@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264534 /nfs/dbraw/zinc/26/45/34/179264534.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP CC[N@H+]1CC[C@@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264536 /nfs/dbraw/zinc/26/45/36/179264536.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP CC[NH+]1CC[C@@H](C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264538 /nfs/dbraw/zinc/26/45/38/179264538.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP CC[NH+]1CC[C@@H](C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264539 /nfs/dbraw/zinc/26/45/39/179264539.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 3 2 279.472 2.326 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292723 179266898 /nfs/dbraw/zinc/26/68/98/179266898.db2.gz GYVMJGHJUYNJER-BXUZGUMPSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292723 179266900 /nfs/dbraw/zinc/26/69/00/179266900.db2.gz GYVMJGHJUYNJER-BXUZGUMPSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295870 179267776 /nfs/dbraw/zinc/26/77/76/179267776.db2.gz HJIYBIOVRNDVSD-INIZCTEOSA-N 2 2 276.380 2.379 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295870 179267777 /nfs/dbraw/zinc/26/77/77/179267777.db2.gz HJIYBIOVRNDVSD-INIZCTEOSA-N 2 2 276.380 2.379 10 0 CEAELP CC(C)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295888 179268234 /nfs/dbraw/zinc/26/82/34/179268234.db2.gz ZRTXIEQBYXULCJ-AWEZNQCLSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295888 179268235 /nfs/dbraw/zinc/26/82/35/179268235.db2.gz ZRTXIEQBYXULCJ-AWEZNQCLSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)Oc1ncccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818896 179348945 /nfs/dbraw/zinc/34/89/45/179348945.db2.gz QWUZSVHLUHJDDH-HNNXBMFYSA-N 2 2 277.412 2.443 10 0 CEAELP CC(C)Oc1ncccc1C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086818896 179348946 /nfs/dbraw/zinc/34/89/46/179348946.db2.gz QWUZSVHLUHJDDH-HNNXBMFYSA-N 2 2 277.412 2.443 10 0 CEAELP C[N@@H+]1CCC[C@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086833743 179350666 /nfs/dbraw/zinc/35/06/66/179350666.db2.gz YBBHCSYHXHALLV-CYBMUJFWSA-N 2 2 251.399 2.206 10 0 CEAELP C[N@H+]1CCC[C@]([NH2+]C2CC2)(c2nccs2)CC1 ZINC000086833743 179350668 /nfs/dbraw/zinc/35/06/68/179350668.db2.gz YBBHCSYHXHALLV-CYBMUJFWSA-N 2 2 251.399 2.206 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836306 179350880 /nfs/dbraw/zinc/35/08/80/179350880.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836306 179350883 /nfs/dbraw/zinc/35/08/83/179350883.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 3 2 255.450 2.181 10 0 CEAELP CCCC[N@H+](CC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846570 179355486 /nfs/dbraw/zinc/35/54/86/179355486.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[N@@H+](CC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086846570 179355488 /nfs/dbraw/zinc/35/54/88/179355488.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[NH+](CC)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846570 179355489 /nfs/dbraw/zinc/35/54/89/179355489.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[NH+](CC)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846570 179355491 /nfs/dbraw/zinc/35/54/91/179355491.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 2 255.450 2.312 10 0 CEAELP Cc1csc([C@@]2([NH3+])CCC[N@@H+](C(C)C)CC2)n1 ZINC000086851297 179359013 /nfs/dbraw/zinc/35/90/13/179359013.db2.gz QYONFRINKKHUKL-CYBMUJFWSA-N 2 2 253.415 2.500 10 0 CEAELP Cc1csc([C@@]2([NH3+])CCC[N@H+](C(C)C)CC2)n1 ZINC000086851297 179359014 /nfs/dbraw/zinc/35/90/14/179359014.db2.gz QYONFRINKKHUKL-CYBMUJFWSA-N 2 2 253.415 2.500 10 0 CEAELP CCC1CCC(O)(C[NH2+]Cc2c[nH+]c(C)[nH]2)CC1 ZINC000087061413 179389641 /nfs/dbraw/zinc/38/96/41/179389641.db2.gz SPTDMMSQWFBXRM-UHFFFAOYSA-N 2 2 251.374 2.139 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1(O)CCCC1 ZINC000309848303 539634589 /nfs/dbraw/zinc/63/45/89/539634589.db2.gz ZBTZXYXMZJXIMX-HNNXBMFYSA-N 2 2 276.424 2.402 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1(O)CCCC1 ZINC000309848303 539634592 /nfs/dbraw/zinc/63/45/92/539634592.db2.gz ZBTZXYXMZJXIMX-HNNXBMFYSA-N 2 2 276.424 2.402 10 0 CEAELP Nc1cc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616642676 348544611 /nfs/dbraw/zinc/54/46/11/348544611.db2.gz GQYKIUXNFSBQFF-HNNXBMFYSA-N 2 2 269.348 2.068 10 0 CEAELP Nc1cc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616642676 348544615 /nfs/dbraw/zinc/54/46/15/348544615.db2.gz GQYKIUXNFSBQFF-HNNXBMFYSA-N 2 2 269.348 2.068 10 0 CEAELP Nc1cc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000616650517 348547908 /nfs/dbraw/zinc/54/79/08/348547908.db2.gz AVEFLFJYMIAYNC-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1cc([C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH+]1 ZINC000616650517 348547909 /nfs/dbraw/zinc/54/79/09/348547909.db2.gz AVEFLFJYMIAYNC-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3cccnc32)C1 ZINC000616620875 348537237 /nfs/dbraw/zinc/53/72/37/348537237.db2.gz MZKPYRQQPVJBHH-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3cccnc32)C1 ZINC000616620875 348537239 /nfs/dbraw/zinc/53/72/39/348537239.db2.gz MZKPYRQQPVJBHH-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616621515 348537260 /nfs/dbraw/zinc/53/72/60/348537260.db2.gz QSSAOAPUECGYOP-LBPRGKRZSA-N 2 2 294.399 2.114 10 0 CEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616621515 348537261 /nfs/dbraw/zinc/53/72/61/348537261.db2.gz QSSAOAPUECGYOP-LBPRGKRZSA-N 2 2 294.399 2.114 10 0 CEAELP Nc1cc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616662336 348553850 /nfs/dbraw/zinc/55/38/50/348553850.db2.gz HEXSCIWPZLJCKC-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1cc([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616662336 348553853 /nfs/dbraw/zinc/55/38/53/348553853.db2.gz HEXSCIWPZLJCKC-MRXNPFEDSA-N 2 2 283.375 2.458 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+][C@@H](CC)c1nccs1 ZINC000090567122 180006359 /nfs/dbraw/zinc/00/63/59/180006359.db2.gz WUSCXKCYSVVDHE-FRRDWIJNSA-N 2 2 283.441 2.198 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000090567134 180006518 /nfs/dbraw/zinc/00/65/18/180006518.db2.gz IQICKTDUQCJPLA-YNEHKIRRSA-N 2 2 283.441 2.117 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090876236 180051347 /nfs/dbraw/zinc/05/13/47/180051347.db2.gz CIYLIEKICWQRQE-OWCLPIDISA-N 2 2 272.392 2.207 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090876236 180051349 /nfs/dbraw/zinc/05/13/49/180051349.db2.gz CIYLIEKICWQRQE-OWCLPIDISA-N 2 2 272.392 2.207 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892420 180053656 /nfs/dbraw/zinc/05/36/56/180053656.db2.gz UOUJEXLGVZGXBW-BXUZGUMPSA-N 2 2 275.327 2.004 10 0 CEAELP CCC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894289 180056287 /nfs/dbraw/zinc/05/62/87/180056287.db2.gz TUVCSNPDCNPSOB-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CCC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090894289 180056289 /nfs/dbraw/zinc/05/62/89/180056289.db2.gz TUVCSNPDCNPSOB-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907574 180061746 /nfs/dbraw/zinc/06/17/46/180061746.db2.gz ASKOQEFGZMICHS-QLFBSQMISA-N 2 2 254.418 2.266 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907574 180061748 /nfs/dbraw/zinc/06/17/48/180061748.db2.gz ASKOQEFGZMICHS-QLFBSQMISA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)oc1C ZINC000090907891 180061866 /nfs/dbraw/zinc/06/18/66/180061866.db2.gz LCSWDPVDFCJXOM-OKILXGFUSA-N 2 2 264.369 2.061 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)oc1C ZINC000090907891 180061868 /nfs/dbraw/zinc/06/18/68/180061868.db2.gz LCSWDPVDFCJXOM-OKILXGFUSA-N 2 2 264.369 2.061 10 0 CEAELP c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984723 180080129 /nfs/dbraw/zinc/08/01/29/180080129.db2.gz NIAZSDOVHRXLNL-MSOLQXFVSA-N 2 2 286.419 2.128 10 0 CEAELP c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984723 180080132 /nfs/dbraw/zinc/08/01/32/180080132.db2.gz NIAZSDOVHRXLNL-MSOLQXFVSA-N 2 2 286.419 2.128 10 0 CEAELP C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[N@@H+]1CCCOCC1 ZINC000091362780 180141901 /nfs/dbraw/zinc/14/19/01/180141901.db2.gz ORANLDJWAYVEMB-KFWWJZLASA-N 2 2 252.402 2.020 10 0 CEAELP C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCCOCC1 ZINC000091362780 180141902 /nfs/dbraw/zinc/14/19/02/180141902.db2.gz ORANLDJWAYVEMB-KFWWJZLASA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)(C)N1C(=O)CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275607 180118908 /nfs/dbraw/zinc/11/89/08/180118908.db2.gz VCGFUWYOXBBADW-SWLSCSKDSA-N 2 2 290.411 2.397 10 0 CEAELP CCCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275592 180119274 /nfs/dbraw/zinc/11/92/74/180119274.db2.gz VVXAMCDNRIFIBJ-IUODEOHRSA-N 2 2 276.384 2.009 10 0 CEAELP O[C@@H](c1c[nH+]cn1C1CC1)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091277441 180120385 /nfs/dbraw/zinc/12/03/85/180120385.db2.gz OYVGVQQWKVKDTA-CABCVRRESA-N 2 2 255.321 2.096 10 0 CEAELP CCCN(C(C)C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276225 180120481 /nfs/dbraw/zinc/12/04/81/180120481.db2.gz QPRQZMJLLRPOOH-ZDUSSCGKSA-N 2 2 250.390 2.338 10 0 CEAELP C[C@@H]([NH2+]C1CC(O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000091428743 180152945 /nfs/dbraw/zinc/15/29/45/180152945.db2.gz VZJDOMNVDLYLFX-NUYPLMSZSA-N 2 2 257.337 2.046 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)[N@H+](C)CC1CC(O)C1 ZINC000091451136 180158895 /nfs/dbraw/zinc/15/88/95/180158895.db2.gz ZHKRVUSVRHVRNO-KWVKFQHESA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)[N@@H+](C)CC1CC(O)C1 ZINC000091451136 180158897 /nfs/dbraw/zinc/15/88/97/180158897.db2.gz ZHKRVUSVRHVRNO-KWVKFQHESA-N 2 2 292.423 2.176 10 0 CEAELP CCC[NH2+][C@H](c1c[nH+]ccc1N)C(C)(C)N(C)C ZINC000091529405 180180536 /nfs/dbraw/zinc/18/05/36/180180536.db2.gz KONLXDNABLJAQU-CYBMUJFWSA-N 2 2 250.390 2.045 10 0 CEAELP CC[NH2+][C@H](Cc1csc(C)n1)C(C)(C)[NH+](C)C ZINC000091529087 180180869 /nfs/dbraw/zinc/18/08/69/180180869.db2.gz KSFFTLIYDKXPCT-GFCCVEGCSA-N 2 2 255.431 2.312 10 0 CEAELP Nc1[nH+]cccc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641720 180213122 /nfs/dbraw/zinc/21/31/22/180213122.db2.gz QPASVYMTFQTLSZ-HNNXBMFYSA-N 2 2 289.423 2.366 10 0 CEAELP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640863 180213463 /nfs/dbraw/zinc/21/34/63/180213463.db2.gz JYYRGBNRGWDLEI-OAHLLOKOSA-N 3 2 288.439 2.203 10 0 CEAELP C[C@H]1CCC[C@@](C(=O)Cc2cc[nH+]c(N)c2)([NH+](C)C)C1 ZINC000091649791 180216371 /nfs/dbraw/zinc/21/63/71/180216371.db2.gz SGUTYDHLLZCSJA-BLLLJJGKSA-N 2 2 275.396 2.286 10 0 CEAELP CC[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)C[NH+](C)C ZINC000091719789 180234407 /nfs/dbraw/zinc/23/44/07/180234407.db2.gz CSHABEFHDKNRMP-OAHLLOKOSA-N 2 2 278.444 2.471 10 0 CEAELP [NH3+][C@H](c1cncc2ccccc21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720856 180236400 /nfs/dbraw/zinc/23/64/00/180236400.db2.gz WWRJMQIMTCOEMV-KBRIMQKVSA-N 2 2 283.375 2.098 10 0 CEAELP [NH3+][C@H](c1cncc2ccccc21)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720856 180236402 /nfs/dbraw/zinc/23/64/02/180236402.db2.gz WWRJMQIMTCOEMV-KBRIMQKVSA-N 2 2 283.375 2.098 10 0 CEAELP C[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721233 180238344 /nfs/dbraw/zinc/23/83/44/180238344.db2.gz ZQQFQCODXXYBGQ-QLFBSQMISA-N 2 2 282.334 2.089 10 0 CEAELP C[NH2+][C@H](c1cc(F)cc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721233 180238347 /nfs/dbraw/zinc/23/83/47/180238347.db2.gz ZQQFQCODXXYBGQ-QLFBSQMISA-N 2 2 282.334 2.089 10 0 CEAELP Cc1nc([C@H]2C[N@H+](C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723165 180241721 /nfs/dbraw/zinc/24/17/21/180241721.db2.gz KDSOFWLMRMPOBZ-GFCCVEGCSA-N 2 2 283.441 2.200 10 0 CEAELP Cc1nc([C@H]2C[N@@H+](C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723165 180241724 /nfs/dbraw/zinc/24/17/24/180241724.db2.gz KDSOFWLMRMPOBZ-GFCCVEGCSA-N 2 2 283.441 2.200 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926470 180287795 /nfs/dbraw/zinc/28/77/95/180287795.db2.gz SQMGMLUIAQPDFD-DLBZAZTESA-N 2 2 285.391 2.340 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054258 180314067 /nfs/dbraw/zinc/31/40/67/180314067.db2.gz RQLBVNLVHXDRLE-IRXDYDNUSA-N 2 2 292.423 2.457 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054258 180314068 /nfs/dbraw/zinc/31/40/68/180314068.db2.gz RQLBVNLVHXDRLE-IRXDYDNUSA-N 2 2 292.423 2.457 10 0 CEAELP COCc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092082974 180319482 /nfs/dbraw/zinc/31/94/82/180319482.db2.gz SDFQMSHNGJBVSP-XEZPLFJOSA-N 2 2 262.397 2.421 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C ZINC000092087457 180321141 /nfs/dbraw/zinc/32/11/41/180321141.db2.gz GOIDWVPTUHDRPF-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[N@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C ZINC000092087457 180321144 /nfs/dbraw/zinc/32/11/44/180321144.db2.gz GOIDWVPTUHDRPF-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC(C)=CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863265 186081268 /nfs/dbraw/zinc/08/12/68/186081268.db2.gz SFFXRLFOCRUBHF-UHFFFAOYSA-N 2 2 276.428 2.246 10 0 CEAELP CC(C)=CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863265 186081270 /nfs/dbraw/zinc/08/12/70/186081270.db2.gz SFFXRLFOCRUBHF-UHFFFAOYSA-N 2 2 276.428 2.246 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCCC2)nc[nH+]1 ZINC000105904852 186087046 /nfs/dbraw/zinc/08/70/46/186087046.db2.gz AIKLTPWEQIPAFR-ZDUSSCGKSA-N 2 2 275.400 2.019 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000105922485 186090303 /nfs/dbraw/zinc/09/03/03/186090303.db2.gz XKAHCMCMMXMANF-CYBMUJFWSA-N 2 2 293.411 2.424 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000105922485 186090304 /nfs/dbraw/zinc/09/03/04/186090304.db2.gz XKAHCMCMMXMANF-CYBMUJFWSA-N 2 2 293.411 2.424 10 0 CEAELP c1ccc(SCC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000105970194 186095410 /nfs/dbraw/zinc/09/54/10/186095410.db2.gz HFHFGIYGEBDJAA-UHFFFAOYSA-N 2 2 250.411 2.464 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccnc2ccccc12 ZINC000092364800 180368397 /nfs/dbraw/zinc/36/83/97/180368397.db2.gz TZRFQUYMRYEKEQ-GFCCVEGCSA-N 2 2 266.348 2.369 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417126 180381392 /nfs/dbraw/zinc/38/13/92/180381392.db2.gz XWAYVMDATOSTBN-NSHDSACASA-N 2 2 253.777 2.166 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417126 180381394 /nfs/dbraw/zinc/38/13/94/180381394.db2.gz XWAYVMDATOSTBN-NSHDSACASA-N 2 2 253.777 2.166 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@H]([NH3+])C3)cc1OC ZINC000107827683 186193828 /nfs/dbraw/zinc/19/38/28/186193828.db2.gz JLUGXNOEJMQCLL-JQWIXIFHSA-N 2 2 287.363 2.402 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@H]([NH3+])C3)c(OC)c1 ZINC000107827909 186194279 /nfs/dbraw/zinc/19/42/79/186194279.db2.gz AOIHRCYHBNWWSN-MNOVXSKESA-N 2 2 287.363 2.402 10 0 CEAELP COc1ccc(OC)c(-c2cn3c([nH+]2)[C@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827774 186194517 /nfs/dbraw/zinc/19/45/17/186194517.db2.gz BSZZPJMMIAFKIA-GHMZBOCLSA-N 2 2 287.363 2.402 10 0 CEAELP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931439 186333205 /nfs/dbraw/zinc/33/32/05/186333205.db2.gz AHWKFRYHHCQVMK-GFCCVEGCSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000110931439 186333207 /nfs/dbraw/zinc/33/32/07/186333207.db2.gz AHWKFRYHHCQVMK-GFCCVEGCSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@H+](CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110930908 186333565 /nfs/dbraw/zinc/33/35/65/186333565.db2.gz YKAFOFPAEZMPCJ-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000110930908 186333567 /nfs/dbraw/zinc/33/35/67/186333567.db2.gz YKAFOFPAEZMPCJ-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1F ZINC000110977169 186338538 /nfs/dbraw/zinc/33/85/38/186338538.db2.gz OVPVEJGHMKUJNZ-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1F ZINC000110977169 186338540 /nfs/dbraw/zinc/33/85/40/186338540.db2.gz OVPVEJGHMKUJNZ-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156092 186362040 /nfs/dbraw/zinc/36/20/40/186362040.db2.gz HVVDYEBNCPQJBD-SMDDNHRTSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)CC1CCOCC1 ZINC000111156092 186362041 /nfs/dbraw/zinc/36/20/41/186362041.db2.gz HVVDYEBNCPQJBD-SMDDNHRTSA-N 2 2 268.426 2.495 10 0 CEAELP 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GLTMGYAYNXVJEL-OAHLLOKOSA-N 2 2 256.434 2.369 10 0 CEAELP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000111707954 186449198 /nfs/dbraw/zinc/44/91/98/186449198.db2.gz BKKDLSOPAAPWQJ-SOUVJXGZSA-N 2 2 297.487 2.390 10 0 CEAELP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000111707954 186449199 /nfs/dbraw/zinc/44/91/99/186449199.db2.gz BKKDLSOPAAPWQJ-SOUVJXGZSA-N 2 2 297.487 2.390 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796076 363001834 /nfs/dbraw/zinc/00/18/34/363001834.db2.gz VRTDNNMRSZEZRJ-GMSGAONNSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796076 363001836 /nfs/dbraw/zinc/00/18/36/363001836.db2.gz VRTDNNMRSZEZRJ-GMSGAONNSA-N 2 2 275.215 2.462 10 0 CEAELP CO[C@H]1C[N@H+](CCSc2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630364018 351713404 /nfs/dbraw/zinc/71/34/04/351713404.db2.gz CHVSIZRPLUZFIO-UKRRQHHQSA-N 2 2 298.427 2.356 10 0 CEAELP 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/nfs/dbraw/zinc/19/30/02/366193002.db2.gz KKGVJRZOWAWJOR-HOCLYGCPSA-N 2 2 299.422 2.402 10 0 CEAELP c1ccc(N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)[nH+]c1 ZINC000038096179 538862404 /nfs/dbraw/zinc/86/24/04/538862404.db2.gz GWUFOOLDRIOGEI-HNNXBMFYSA-N 2 2 275.396 2.209 10 0 CEAELP C[C@H]1C[C@H](C[NH3+])CN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000216235492 538882608 /nfs/dbraw/zinc/88/26/08/538882608.db2.gz LHJKUMCJKUCICA-DTWKUNHWSA-N 2 2 259.275 2.274 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277525 366636192 /nfs/dbraw/zinc/63/61/92/366636192.db2.gz BWCJZAWATYGCLA-STQMWFEESA-N 2 2 297.830 2.232 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000178310825 189106084 /nfs/dbraw/zinc/10/60/84/189106084.db2.gz YOFIBDUTCFRBJE-GFCCVEGCSA-N 2 2 295.337 2.448 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000178310825 189106085 /nfs/dbraw/zinc/10/60/85/189106085.db2.gz YOFIBDUTCFRBJE-GFCCVEGCSA-N 2 2 295.337 2.448 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064325 /nfs/dbraw/zinc/06/43/25/364064325.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064328 /nfs/dbraw/zinc/06/43/28/364064328.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064330 /nfs/dbraw/zinc/06/43/30/364064330.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 3 2 281.488 2.427 10 0 CEAELP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064331 /nfs/dbraw/zinc/06/43/31/364064331.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 3 2 281.488 2.427 10 0 CEAELP C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120773523 365474711 /nfs/dbraw/zinc/47/47/11/365474711.db2.gz OIFTWBQXXMJFDS-OKILXGFUSA-N 2 2 271.364 2.482 10 0 CEAELP C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120773523 365474718 /nfs/dbraw/zinc/47/47/18/365474718.db2.gz OIFTWBQXXMJFDS-OKILXGFUSA-N 2 2 271.364 2.482 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)OC)C1 ZINC000171634876 367582058 /nfs/dbraw/zinc/58/20/58/367582058.db2.gz LIEZLJZVTJGDOA-OLZOCXBDSA-N 2 2 279.384 2.034 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)OC)C1 ZINC000171634876 367582063 /nfs/dbraw/zinc/58/20/63/367582063.db2.gz LIEZLJZVTJGDOA-OLZOCXBDSA-N 2 2 279.384 2.034 10 0 CEAELP CC(C)COC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181462063 368457302 /nfs/dbraw/zinc/45/73/02/368457302.db2.gz LGZXTKQYOLWTKD-CQSZACIVSA-N 2 2 291.395 2.015 10 0 CEAELP CC(C)COC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181462063 368457306 /nfs/dbraw/zinc/45/73/06/368457306.db2.gz LGZXTKQYOLWTKD-CQSZACIVSA-N 2 2 291.395 2.015 10 0 CEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@H]21 ZINC000228551213 370406430 /nfs/dbraw/zinc/40/64/30/370406430.db2.gz UDMYZKJRADVWKY-IJLUTSLNSA-N 2 2 256.353 2.127 10 0 CEAELP C[C@@H]1C[N@H+](CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235368742 370563360 /nfs/dbraw/zinc/56/33/60/370563360.db2.gz KWOALOZTKIKJDO-MFKMUULPSA-N 2 2 299.212 2.107 10 0 CEAELP C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235368742 370563365 /nfs/dbraw/zinc/56/33/65/370563365.db2.gz KWOALOZTKIKJDO-MFKMUULPSA-N 2 2 299.212 2.107 10 0 CEAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCOC1 ZINC000248061298 371158677 /nfs/dbraw/zinc/15/86/77/371158677.db2.gz YOACEURTUHMIIS-CWRNSKLLSA-N 2 2 262.397 2.304 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC(C)(C)C1 ZINC000252093795 371432117 /nfs/dbraw/zinc/43/21/17/371432117.db2.gz HMKJGIHWGKGELZ-KFWWJZLASA-N 2 2 267.461 2.037 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC(C)(C)C1 ZINC000252093795 371432122 /nfs/dbraw/zinc/43/21/22/371432122.db2.gz HMKJGIHWGKGELZ-KFWWJZLASA-N 2 2 267.461 2.037 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252697887 371470127 /nfs/dbraw/zinc/47/01/27/371470127.db2.gz JZCSGQMTGPOREW-HIFRSBDPSA-N 2 2 262.397 2.397 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252697887 371470133 /nfs/dbraw/zinc/47/01/33/371470133.db2.gz JZCSGQMTGPOREW-HIFRSBDPSA-N 2 2 262.397 2.397 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1[NH3+] ZINC000261990463 371792359 /nfs/dbraw/zinc/79/23/59/371792359.db2.gz KEQQBIBUTBJTIU-GWCFXTLKSA-N 2 2 270.323 2.110 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1[NH3+] ZINC000261990463 371792367 /nfs/dbraw/zinc/79/23/67/371792367.db2.gz KEQQBIBUTBJTIU-GWCFXTLKSA-N 2 2 270.323 2.110 10 0 CEAELP Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)o2)cc1 ZINC000094341926 184785565 /nfs/dbraw/zinc/78/55/65/184785565.db2.gz YXBKFAPXXGWDGE-OCCSQVGLSA-N 2 2 286.379 2.214 10 0 CEAELP Cc1ccc(-c2nnc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)o2)cc1 ZINC000094341926 184785571 /nfs/dbraw/zinc/78/55/71/184785571.db2.gz YXBKFAPXXGWDGE-OCCSQVGLSA-N 2 2 286.379 2.214 10 0 CEAELP OC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089490409 135059384 /nfs/dbraw/zinc/05/93/84/135059384.db2.gz XUGIMVFFTAHACC-CABCVRRESA-N 2 2 289.423 2.049 10 0 CEAELP CC(C)[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068423 135078984 /nfs/dbraw/zinc/07/89/84/135078984.db2.gz ZFXIXSUCXDFNII-HZPDHXFCSA-N 2 2 290.455 2.226 10 0 CEAELP CC[C@](C)([NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000094239250 135084668 /nfs/dbraw/zinc/08/46/68/135084668.db2.gz ZROUZWRDSAFKOX-INIZCTEOSA-N 2 2 261.413 2.244 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415077 396148074 /nfs/dbraw/zinc/14/80/74/396148074.db2.gz IPWZCCRDMBFZKT-HUUCEWRRSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415077 396148077 /nfs/dbraw/zinc/14/80/77/396148077.db2.gz IPWZCCRDMBFZKT-HUUCEWRRSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415077 396148079 /nfs/dbraw/zinc/14/80/79/396148079.db2.gz IPWZCCRDMBFZKT-HUUCEWRRSA-N 2 2 276.428 2.428 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000191451329 153171981 /nfs/dbraw/zinc/17/19/81/153171981.db2.gz IOAVVRCHSIZNOO-GJZGRUSLSA-N 2 2 254.418 2.362 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000191451329 153171984 /nfs/dbraw/zinc/17/19/84/153171984.db2.gz IOAVVRCHSIZNOO-GJZGRUSLSA-N 2 2 254.418 2.362 10 0 CEAELP COc1ncccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193354277 153232569 /nfs/dbraw/zinc/23/25/69/153232569.db2.gz BOIXYXBSVAPQEF-CQSZACIVSA-N 2 2 298.390 2.419 10 0 CEAELP COc1ncccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000193354277 153232577 /nfs/dbraw/zinc/23/25/77/153232577.db2.gz BOIXYXBSVAPQEF-CQSZACIVSA-N 2 2 298.390 2.419 10 0 CEAELP CC(C)c1csc([C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262988600 154002488 /nfs/dbraw/zinc/00/24/88/154002488.db2.gz NKNNGFKTRZGWGU-LLVKDONJSA-N 2 2 253.415 2.405 10 0 CEAELP CC(C)c1csc([C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262988600 154002490 /nfs/dbraw/zinc/00/24/90/154002490.db2.gz NKNNGFKTRZGWGU-LLVKDONJSA-N 2 2 253.415 2.405 10 0 CEAELP CSCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178308203 165236165 /nfs/dbraw/zinc/23/61/65/165236165.db2.gz NNXLWYGMSOADIU-ZDUSSCGKSA-N 2 2 253.415 2.409 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000178287094 165230154 /nfs/dbraw/zinc/23/01/54/165230154.db2.gz SARSNEDFXNIGLR-CABCVRRESA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000178287094 165230155 /nfs/dbraw/zinc/23/01/55/165230155.db2.gz SARSNEDFXNIGLR-CABCVRRESA-N 2 2 263.385 2.225 10 0 CEAELP CSCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178308203 165236160 /nfs/dbraw/zinc/23/61/60/165236160.db2.gz NNXLWYGMSOADIU-ZDUSSCGKSA-N 2 2 253.415 2.409 10 0 CEAELP COc1ccc([C@@H](C)[NH+]2CCC([NH3+])CC2)cc1F ZINC000020521550 171234996 /nfs/dbraw/zinc/23/49/96/171234996.db2.gz ILNGTVKXKLFGHT-SNVBAGLBSA-N 2 2 252.333 2.318 10 0 CEAELP CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502890 174298680 /nfs/dbraw/zinc/29/86/80/174298680.db2.gz PYUFUIIQEBZJSB-QGZVFWFLSA-N 2 2 279.472 2.491 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000040599583 174350384 /nfs/dbraw/zinc/35/03/84/174350384.db2.gz ABKWOFBSXUSRRL-GFCCVEGCSA-N 2 2 259.353 2.259 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000040599583 174350385 /nfs/dbraw/zinc/35/03/85/174350385.db2.gz ABKWOFBSXUSRRL-GFCCVEGCSA-N 2 2 259.353 2.259 10 0 CEAELP C[NH2+]C[C@@H]1CCCN(Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000040600597 174350848 /nfs/dbraw/zinc/35/08/48/174350848.db2.gz RDOYZOGIOGOBSJ-AWEZNQCLSA-N 2 2 272.396 2.074 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000040600597 174350849 /nfs/dbraw/zinc/35/08/49/174350849.db2.gz RDOYZOGIOGOBSJ-AWEZNQCLSA-N 2 2 272.396 2.074 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000040600597 174350850 /nfs/dbraw/zinc/35/08/50/174350850.db2.gz RDOYZOGIOGOBSJ-AWEZNQCLSA-N 2 2 272.396 2.074 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750075 174395362 /nfs/dbraw/zinc/39/53/62/174395362.db2.gz ZGOJNESQBSYNQS-MQVJKMGUSA-N 2 2 295.471 2.081 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750075 174395364 /nfs/dbraw/zinc/39/53/64/174395364.db2.gz ZGOJNESQBSYNQS-MQVJKMGUSA-N 2 2 295.471 2.081 10 0 CEAELP COc1ccc[nH+]c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000128351688 414808949 /nfs/dbraw/zinc/80/89/49/414808949.db2.gz JFIILLKNJKRZJM-ZDUSSCGKSA-N 2 2 261.369 2.059 10 0 CEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCC(OC)CC2)cc1 ZINC000042960820 174925360 /nfs/dbraw/zinc/92/53/60/174925360.db2.gz HCOOAMUVZAKFFR-MLGOLLRUSA-N 2 2 278.396 2.194 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(OC)CC1 ZINC000043334787 175010407 /nfs/dbraw/zinc/01/04/07/175010407.db2.gz FOMZZAKDIRAYMZ-OCCSQVGLSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043338901 175013288 /nfs/dbraw/zinc/01/32/88/175013288.db2.gz ANYDRRHYQMWZAO-IJEWVQPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CCO ZINC000043338901 175013290 /nfs/dbraw/zinc/01/32/90/175013290.db2.gz ANYDRRHYQMWZAO-IJEWVQPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCCSCC1 ZINC000043339902 175013625 /nfs/dbraw/zinc/01/36/25/175013625.db2.gz YLOLGGOAQXNEJZ-JSGCOSHPSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCCSCC1 ZINC000043339902 175013626 /nfs/dbraw/zinc/01/36/26/175013626.db2.gz YLOLGGOAQXNEJZ-JSGCOSHPSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC)[C@@H](C)COC ZINC000043341148 175015228 /nfs/dbraw/zinc/01/52/28/175015228.db2.gz YXAZSPDZPKHQRA-KCQAQPDRSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC)[C@@H](C)COC ZINC000043341148 175015230 /nfs/dbraw/zinc/01/52/30/175015230.db2.gz YXAZSPDZPKHQRA-KCQAQPDRSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353159 175020238 /nfs/dbraw/zinc/02/02/38/175020238.db2.gz HWLJIHKWHHEPHG-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353159 175020240 /nfs/dbraw/zinc/02/02/40/175020240.db2.gz HWLJIHKWHHEPHG-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043354169 175021756 /nfs/dbraw/zinc/02/17/56/175021756.db2.gz AMEGNUVCBJWMAO-HRCADAONSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043354169 175021758 /nfs/dbraw/zinc/02/17/58/175021758.db2.gz AMEGNUVCBJWMAO-HRCADAONSA-N 2 2 277.412 2.361 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363834 175024786 /nfs/dbraw/zinc/02/47/86/175024786.db2.gz WSPQHPKCAJLBHX-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363834 175024788 /nfs/dbraw/zinc/02/47/88/175024788.db2.gz WSPQHPKCAJLBHX-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C2CCOCC2)o1 ZINC000043364459 175025684 /nfs/dbraw/zinc/02/56/84/175025684.db2.gz SLINXOBSBBQRAV-RISCZKNCSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C2CCOCC2)o1 ZINC000043364459 175025685 /nfs/dbraw/zinc/02/56/85/175025685.db2.gz SLINXOBSBBQRAV-RISCZKNCSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCSCC2)o1 ZINC000043364685 175025731 /nfs/dbraw/zinc/02/57/31/175025731.db2.gz AMWZMKNNRXRFPH-YPMHNXCESA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCSCC2)o1 ZINC000043364685 175025733 /nfs/dbraw/zinc/02/57/33/175025733.db2.gz AMWZMKNNRXRFPH-YPMHNXCESA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365189 175026780 /nfs/dbraw/zinc/02/67/80/175026780.db2.gz OKDJSKHQZYJNRI-AWEZNQCLSA-N 2 2 266.385 2.215 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365189 175026782 /nfs/dbraw/zinc/02/67/82/175026782.db2.gz OKDJSKHQZYJNRI-AWEZNQCLSA-N 2 2 266.385 2.215 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)Cc1ccccc1)OCCO2 ZINC000043816425 175112272 /nfs/dbraw/zinc/11/22/72/175112272.db2.gz WKRXURFZOBKRRX-JKSUJKDBSA-N 2 2 290.407 2.002 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)Cc1ccccc1)OCCO2 ZINC000043816425 175112273 /nfs/dbraw/zinc/11/22/73/175112273.db2.gz WKRXURFZOBKRRX-JKSUJKDBSA-N 2 2 290.407 2.002 10 0 CEAELP C[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819728 175113933 /nfs/dbraw/zinc/11/39/33/175113933.db2.gz FIVCQDKKCHYDND-ROUUACIJSA-N 2 2 288.435 2.318 10 0 CEAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916095 175124846 /nfs/dbraw/zinc/12/48/46/175124846.db2.gz VOUIYVPCSTUJKY-IRXDYDNUSA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916095 175124848 /nfs/dbraw/zinc/12/48/48/175124848.db2.gz VOUIYVPCSTUJKY-IRXDYDNUSA-N 2 2 292.423 2.239 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966909 175128136 /nfs/dbraw/zinc/12/81/36/175128136.db2.gz RQYSYQBHSLASBH-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966909 175128137 /nfs/dbraw/zinc/12/81/37/175128137.db2.gz RQYSYQBHSLASBH-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969655 175130453 /nfs/dbraw/zinc/13/04/53/175130453.db2.gz AWIMRAFNVOQYOI-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969655 175130454 /nfs/dbraw/zinc/13/04/54/175130454.db2.gz AWIMRAFNVOQYOI-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@H+](CCCOC)CCOC ZINC000043971082 175132083 /nfs/dbraw/zinc/13/20/83/175132083.db2.gz MMQQYFFBRJIJRD-HUUCEWRRSA-N 2 2 274.449 2.138 10 0 CEAELP CCC[NH2+][C@H](CC)[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000043971082 175132084 /nfs/dbraw/zinc/13/20/84/175132084.db2.gz MMQQYFFBRJIJRD-HUUCEWRRSA-N 2 2 274.449 2.138 10 0 CEAELP C[NH+]1CCC(CN)([N@@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071271 175301209 /nfs/dbraw/zinc/30/12/09/175301209.db2.gz IRHOUFBIFCIUTK-OAHLLOKOSA-N 2 2 265.445 2.064 10 0 CEAELP C[NH+]1CCC(CN)([N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071271 175301210 /nfs/dbraw/zinc/30/12/10/175301210.db2.gz IRHOUFBIFCIUTK-OAHLLOKOSA-N 2 2 265.445 2.064 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1C ZINC000045172257 175321978 /nfs/dbraw/zinc/32/19/78/175321978.db2.gz JFKBGIVMECKLFF-LLVKDONJSA-N 2 2 261.373 2.067 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090855 176031182 /nfs/dbraw/zinc/03/11/82/176031182.db2.gz CCONAKFKXOXOET-PBHICJAKSA-N 2 2 274.408 2.374 10 0 CEAELP CC(C)C[N@H+](CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091576 176032232 /nfs/dbraw/zinc/03/22/32/176032232.db2.gz SXNWJQAYPZQBOR-MRXNPFEDSA-N 2 2 262.397 2.217 10 0 CEAELP CC(C)C[N@@H+](CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091576 176032233 /nfs/dbraw/zinc/03/22/33/176032233.db2.gz SXNWJQAYPZQBOR-MRXNPFEDSA-N 2 2 262.397 2.217 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1OCCc2ccccc21 ZINC000071099238 176032931 /nfs/dbraw/zinc/03/29/31/176032931.db2.gz JPUCSVTXMAMGGX-IUODEOHRSA-N 2 2 271.364 2.087 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125785 176035849 /nfs/dbraw/zinc/03/58/49/176035849.db2.gz LCLMWGYXFMJEEU-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125785 176035850 /nfs/dbraw/zinc/03/58/50/176035850.db2.gz LCLMWGYXFMJEEU-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000071161614 176046708 /nfs/dbraw/zinc/04/67/08/176046708.db2.gz QARDMHJSRKAIKG-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188925 176063673 /nfs/dbraw/zinc/06/36/73/176063673.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188925 176063674 /nfs/dbraw/zinc/06/36/74/176063674.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188925 176063675 /nfs/dbraw/zinc/06/36/75/176063675.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188925 176063676 /nfs/dbraw/zinc/06/36/76/176063676.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 3 2 291.439 2.098 10 0 CEAELP C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189063 176064559 /nfs/dbraw/zinc/06/45/59/176064559.db2.gz BIWKJZCBHBUQDA-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1ccc(Cl)nc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189063 176064561 /nfs/dbraw/zinc/06/45/61/176064561.db2.gz BIWKJZCBHBUQDA-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccc(Cl)nc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189063 176064562 /nfs/dbraw/zinc/06/45/62/176064562.db2.gz BIWKJZCBHBUQDA-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccc(Cl)nc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189063 176064563 /nfs/dbraw/zinc/06/45/63/176064563.db2.gz BIWKJZCBHBUQDA-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200751 176077817 /nfs/dbraw/zinc/07/78/17/176077817.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200751 176077818 /nfs/dbraw/zinc/07/78/18/176077818.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@@H]1CCC[NH+](CCCC[N@H+](C)C(C)C)C1 ZINC000071200751 176077820 /nfs/dbraw/zinc/07/78/20/176077820.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@@H]1CCC[NH+](CCCC[N@@H+](C)C(C)C)C1 ZINC000071200751 176077821 /nfs/dbraw/zinc/07/78/21/176077821.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 3 2 255.450 2.181 10 0 CEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1cc(Cl)ccc1OC ZINC000071228940 176090959 /nfs/dbraw/zinc/09/09/59/176090959.db2.gz HWOKNNBMYIZUKG-UHFFFAOYSA-N 2 2 299.802 2.123 10 0 CEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1cc(Cl)ccc1OC ZINC000071228940 176090961 /nfs/dbraw/zinc/09/09/61/176090961.db2.gz HWOKNNBMYIZUKG-UHFFFAOYSA-N 2 2 299.802 2.123 10 0 CEAELP CC[N@H+](CCOc1cc(C)cc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071313962 176120563 /nfs/dbraw/zinc/12/05/63/176120563.db2.gz STOFRZLIXHBWDV-OAHLLOKOSA-N 2 2 262.397 2.366 10 0 CEAELP CC[N@@H+](CCOc1cc(C)cc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071313962 176120564 /nfs/dbraw/zinc/12/05/64/176120564.db2.gz STOFRZLIXHBWDV-OAHLLOKOSA-N 2 2 262.397 2.366 10 0 CEAELP CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342527 176130292 /nfs/dbraw/zinc/13/02/92/176130292.db2.gz MLJBLLZFAFQSGL-LSDHHAIUSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342527 176130293 /nfs/dbraw/zinc/13/02/93/176130293.db2.gz MLJBLLZFAFQSGL-LSDHHAIUSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@H]1CN(CCCn2cc[nH+]c2)[C@@H](CC)C[NH2+]1 ZINC000071353989 176136072 /nfs/dbraw/zinc/13/60/72/176136072.db2.gz MGXDSVSUSQJOLD-HRCADAONSA-N 2 2 278.444 2.372 10 0 CEAELP C[C@H](C[NH2+]C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000390557362 262217250 /nfs/dbraw/zinc/21/72/50/262217250.db2.gz IWYFNAAZGMCQTO-ODIFPOPNSA-N 3 2 275.440 2.366 10 0 CEAELP C[C@H](C[NH2+]C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000390557362 262217252 /nfs/dbraw/zinc/21/72/52/262217252.db2.gz IWYFNAAZGMCQTO-ODIFPOPNSA-N 3 2 275.440 2.366 10 0 CEAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](CC)CCOC)c1 ZINC000052921142 520466726 /nfs/dbraw/zinc/46/67/26/520466726.db2.gz BEKVFZJOBCYCMS-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](CC)CCOC)c1 ZINC000052921142 520466739 /nfs/dbraw/zinc/46/67/39/520466739.db2.gz BEKVFZJOBCYCMS-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP COCC[C@H]([NH3+])C[N@H+](Cc1ccsc1)C1CC1 ZINC000052810847 521951380 /nfs/dbraw/zinc/95/13/80/521951380.db2.gz YZTQNRLGUHIPIH-LBPRGKRZSA-N 2 2 254.399 2.076 10 0 CEAELP COCC[C@H]([NH3+])C[N@@H+](Cc1ccsc1)C1CC1 ZINC000052810847 521951392 /nfs/dbraw/zinc/95/13/92/521951392.db2.gz YZTQNRLGUHIPIH-LBPRGKRZSA-N 2 2 254.399 2.076 10 0 CEAELP C[NH2+]Cc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000052420411 522152124 /nfs/dbraw/zinc/15/21/24/522152124.db2.gz FNUWKYHNQVHJJY-PHIMTYICSA-N 2 2 253.415 2.340 10 0 CEAELP C[NH2+]Cc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000052420411 522152128 /nfs/dbraw/zinc/15/21/28/522152128.db2.gz FNUWKYHNQVHJJY-PHIMTYICSA-N 2 2 253.415 2.340 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301748 533900319 /nfs/dbraw/zinc/90/03/19/533900319.db2.gz ZKNMZHAUMRCGCO-LRDDRELGSA-N 2 2 298.377 2.462 10 0 CEAELP Brc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000054765196 518220913 /nfs/dbraw/zinc/22/09/13/518220913.db2.gz YNCWLSGROFESMB-UHFFFAOYSA-N 2 2 266.142 2.462 10 0 CEAELP CC(C)(O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370310244 519353333 /nfs/dbraw/zinc/35/33/33/519353333.db2.gz XYLMOKWPJBHYEQ-CYBMUJFWSA-N 2 2 277.412 2.170 10 0 CEAELP CC(C)(O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370310244 519353341 /nfs/dbraw/zinc/35/33/41/519353341.db2.gz XYLMOKWPJBHYEQ-CYBMUJFWSA-N 2 2 277.412 2.170 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCOCC(F)(F)F ZINC000049312468 519793520 /nfs/dbraw/zinc/79/35/20/519793520.db2.gz FVMCHJWYTKLTHY-LLVKDONJSA-N 2 2 270.339 2.131 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH+](C(C)C)C1 ZINC000054629364 519910452 /nfs/dbraw/zinc/91/04/52/519910452.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 3 2 279.472 2.322 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH+](C(C)C)C1 ZINC000054629364 519910458 /nfs/dbraw/zinc/91/04/58/519910458.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 3 2 279.472 2.322 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000054629364 519910460 /nfs/dbraw/zinc/91/04/60/519910460.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 3 2 279.472 2.322 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000054629364 519910464 /nfs/dbraw/zinc/91/04/64/519910464.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 3 2 279.472 2.322 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000061230538 519968475 /nfs/dbraw/zinc/96/84/75/519968475.db2.gz HGUPBXFIVWLYCY-ZDUSSCGKSA-N 2 2 286.379 2.116 10 0 CEAELP CC[NH2+]Cc1c2ccccc2oc1C[NH+]1CCOCC1 ZINC000052377888 519985366 /nfs/dbraw/zinc/98/53/66/519985366.db2.gz JWJPAVYSENDNJW-UHFFFAOYSA-N 2 2 274.364 2.375 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](CC)CCOC)cc1 ZINC000052920083 520416945 /nfs/dbraw/zinc/41/69/45/520416945.db2.gz FAKAQYADVKOSKB-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](CC)CCOC)cc1 ZINC000052920083 520416955 /nfs/dbraw/zinc/41/69/55/520416955.db2.gz FAKAQYADVKOSKB-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](C)[C@@H](C)COC)c1 ZINC000052921149 520464560 /nfs/dbraw/zinc/46/45/60/520464560.db2.gz OBTVMTDHHSYBFQ-XJKSGUPXSA-N 2 2 280.412 2.442 10 0 CEAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](C)[C@@H](C)COC)c1 ZINC000052921149 520464564 /nfs/dbraw/zinc/46/45/64/520464564.db2.gz OBTVMTDHHSYBFQ-XJKSGUPXSA-N 2 2 280.412 2.442 10 0 CEAELP CCO[C@H]1CCC[N@@H+]([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372338 520527526 /nfs/dbraw/zinc/52/75/26/520527526.db2.gz NNUYRFYIBJXRQN-HOTGVXAUSA-N 2 2 262.397 2.448 10 0 CEAELP CCO[C@H]1CCC[N@H+]([C@@H](C[NH2+]C)c2ccccc2)C1 ZINC000052372338 520527530 /nfs/dbraw/zinc/52/75/30/520527530.db2.gz NNUYRFYIBJXRQN-HOTGVXAUSA-N 2 2 262.397 2.448 10 0 CEAELP CCOC(=O)[C@](C)([NH3+])CCn1c(CC)[nH+]c2ccccc21 ZINC000062807984 521327676 /nfs/dbraw/zinc/32/76/76/521327676.db2.gz JAWYYYLPOYIPIU-MRXNPFEDSA-N 2 2 289.379 2.269 10 0 CEAELP CCN1CC[NH+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052422344 521687761 /nfs/dbraw/zinc/68/77/61/521687761.db2.gz DXMVHGJGWZOPCJ-UHFFFAOYSA-N 2 2 273.380 2.029 10 0 CEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000052371182 522038024 /nfs/dbraw/zinc/03/80/24/522038024.db2.gz ACLDLWZXRMXMSK-AWEZNQCLSA-N 2 2 250.411 2.386 10 0 CEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+]1CCCSCC1 ZINC000052371182 522038029 /nfs/dbraw/zinc/03/80/29/522038029.db2.gz ACLDLWZXRMXMSK-AWEZNQCLSA-N 2 2 250.411 2.386 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)Cc1cc[nH+]c(NN)c1 ZINC000052724694 523311114 /nfs/dbraw/zinc/31/11/14/523311114.db2.gz BXRZTUWBJLEZLR-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)Cc1cc[nH+]c(NN)c1 ZINC000052724694 523311126 /nfs/dbraw/zinc/31/11/26/523311126.db2.gz BXRZTUWBJLEZLR-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@H+]([C@H](C[NH3+])c1ccc2ncccc2c1)C1CCOCC1 ZINC000069502529 523626274 /nfs/dbraw/zinc/62/62/74/523626274.db2.gz SJSCZSJGZIDTNU-QGZVFWFLSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+]([C@H](C[NH3+])c1ccc2ncccc2c1)C1CCOCC1 ZINC000069502529 523626285 /nfs/dbraw/zinc/62/62/85/523626285.db2.gz SJSCZSJGZIDTNU-QGZVFWFLSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[NH2+]Cc1ccccc1-n1c[nH+]c(C)c1C ZINC000062738916 523954816 /nfs/dbraw/zinc/95/48/16/523954816.db2.gz OVHSWRBWVLERGQ-UHFFFAOYSA-N 2 2 259.353 2.225 10 0 CEAELP CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000070327036 523976996 /nfs/dbraw/zinc/97/69/96/523976996.db2.gz WJLKZSDCRDVOFU-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418636 524193873 /nfs/dbraw/zinc/19/38/73/524193873.db2.gz OSZSFHXDJUZOGO-OAHLLOKOSA-N 2 2 290.455 2.370 10 0 CEAELP COc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590135 524437394 /nfs/dbraw/zinc/43/73/94/524437394.db2.gz IQMYGYSIXIJEGR-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP COc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590135 524437400 /nfs/dbraw/zinc/43/74/00/524437400.db2.gz IQMYGYSIXIJEGR-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049500963 524608132 /nfs/dbraw/zinc/60/81/32/524608132.db2.gz RVGDGOPPASLZOA-KKUMJFAQSA-N 2 2 254.418 2.144 10 0 CEAELP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000068628332 524658008 /nfs/dbraw/zinc/65/80/08/524658008.db2.gz SPFUUBNCIPGLMH-HLLBOEOZSA-N 3 2 281.488 2.414 10 0 CEAELP Cc1cc(C[N@@H+]2CCO[C@@H](C)C2)oc1C[NH2+]C(C)C ZINC000052382810 524700262 /nfs/dbraw/zinc/70/02/62/524700262.db2.gz ZYOFSMRVUMDUPP-ZDUSSCGKSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1cc(C[N@H+]2CCO[C@@H](C)C2)oc1C[NH2+]C(C)C ZINC000052382810 524700274 /nfs/dbraw/zinc/70/02/74/524700274.db2.gz ZYOFSMRVUMDUPP-ZDUSSCGKSA-N 2 2 266.385 2.307 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757559 524838769 /nfs/dbraw/zinc/83/87/69/524838769.db2.gz KKEKCGQFNWENQI-MAZHCROVSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757559 524838778 /nfs/dbraw/zinc/83/87/78/524838778.db2.gz KKEKCGQFNWENQI-MAZHCROVSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)Cc1[nH+]ccn1C ZINC000062247986 524853417 /nfs/dbraw/zinc/85/34/17/524853417.db2.gz BGALYGPKTGDPLS-XHDPSFHLSA-N 2 2 276.359 2.080 10 0 CEAELP C[C@@H](Cn1c[nH+]c2cc(N)ccc21)[NH+]1CCCCC1 ZINC000052855013 524966653 /nfs/dbraw/zinc/96/66/53/524966653.db2.gz UOGMWBXIUSNSHG-LBPRGKRZSA-N 2 2 258.369 2.493 10 0 CEAELP Cc1cc2[nH+]cn(C[C@@H]3CC[C@H](C[NH3+])O3)c2cc1C ZINC000052575661 525684074 /nfs/dbraw/zinc/68/40/74/525684074.db2.gz GEEFYBSPVAVEHU-OLZOCXBDSA-N 2 2 259.353 2.159 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757606 525871110 /nfs/dbraw/zinc/87/11/10/525871110.db2.gz ZUGYRBFUBUEXHP-CHWSQXEVSA-N 2 2 268.426 2.293 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757606 525871117 /nfs/dbraw/zinc/87/11/17/525871117.db2.gz ZUGYRBFUBUEXHP-CHWSQXEVSA-N 2 2 268.426 2.293 10 0 CEAELP Fc1cc(F)cc(CC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000060717764 526307427 /nfs/dbraw/zinc/30/74/27/526307427.db2.gz JTVDIZWLPWPOPZ-OAHLLOKOSA-N 2 2 266.335 2.191 10 0 CEAELP c1cc(C[NH2+]C2CC2)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540176 526427301 /nfs/dbraw/zinc/42/73/01/526427301.db2.gz UUTXUWDVRYCAQC-LSDHHAIUSA-N 2 2 276.380 2.285 10 0 CEAELP c1cc(C[NH2+]C2CC2)c(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540176 526427307 /nfs/dbraw/zinc/42/73/07/526427307.db2.gz UUTXUWDVRYCAQC-LSDHHAIUSA-N 2 2 276.380 2.285 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CCc3ccccc3C2)CCCSC1 ZINC000061589904 527222306 /nfs/dbraw/zinc/22/23/06/527222306.db2.gz ZLRLPYVYFRFWHE-HNNXBMFYSA-N 2 2 262.422 2.269 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CCc3ccccc3C2)CCCSC1 ZINC000061589904 527222307 /nfs/dbraw/zinc/22/23/07/527222307.db2.gz ZLRLPYVYFRFWHE-HNNXBMFYSA-N 2 2 262.422 2.269 10 0 CEAELP [NH3+]Cc1cccc(NC(=O)C[NH+]2Cc3ccccc3C2)c1 ZINC000050910509 527259462 /nfs/dbraw/zinc/25/94/62/527259462.db2.gz MSDRGLYIWDRJLM-UHFFFAOYSA-N 2 2 281.359 2.100 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000086120024 535867230 /nfs/dbraw/zinc/86/72/30/535867230.db2.gz MYGDQQOHSYSUOS-KRWDZBQOSA-N 2 2 273.424 2.326 10 0 CEAELP CCc1cc(N2CC[NH2+]CC23CCCCC3)nc(C)[nH+]1 ZINC000088760672 536146255 /nfs/dbraw/zinc/14/62/55/536146255.db2.gz YKOFBXHXNOIZQM-UHFFFAOYSA-N 2 2 274.412 2.460 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191941855 536174577 /nfs/dbraw/zinc/17/45/77/536174577.db2.gz PNZIBPCTOVEIOK-CYBMUJFWSA-N 2 2 260.341 2.271 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191941855 536174582 /nfs/dbraw/zinc/17/45/82/536174582.db2.gz PNZIBPCTOVEIOK-CYBMUJFWSA-N 2 2 260.341 2.271 10 0 CEAELP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)o1 ZINC000399143325 628779372 /nfs/dbraw/zinc/77/93/72/628779372.db2.gz VSZZUWZIPYVQOA-GFCCVEGCSA-N 2 2 266.385 2.004 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300077566 539248374 /nfs/dbraw/zinc/24/83/74/539248374.db2.gz DFFCPJQAXOJMIH-FVQBIDKESA-N 2 2 266.429 2.289 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000300077566 539248376 /nfs/dbraw/zinc/24/83/76/539248376.db2.gz DFFCPJQAXOJMIH-FVQBIDKESA-N 2 2 266.429 2.289 10 0 CEAELP COc1cccc([C@@H]([NH3+])[C@@H]([NH3+])c2cccc(OC)c2)c1 ZINC000034214047 343418781 /nfs/dbraw/zinc/41/87/81/343418781.db2.gz VLIGRZTVNRBXFH-IYBDPMFKSA-N 2 2 272.348 2.404 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2[nH+]1 ZINC000136168778 344384337 /nfs/dbraw/zinc/38/43/37/344384337.db2.gz WNXYEUOCUFTETR-OAHLLOKOSA-N 2 2 272.352 2.342 10 0 CEAELP C[C@H]1CC([NH2+]Cc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1 ZINC000084974104 178937041 /nfs/dbraw/zinc/93/70/41/178937041.db2.gz JVXYKPVSCKALRO-FUNVUKJBSA-N 2 2 264.417 2.400 10 0 CEAELP Cc1cc2[nH+]cn(CCC[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304610 179012252 /nfs/dbraw/zinc/01/22/52/179012252.db2.gz OFCGKURRUKQLPO-OAHLLOKOSA-N 2 2 261.369 2.143 10 0 CEAELP CC[C@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@H](CC)C[NH2+]1 ZINC000085472468 179077303 /nfs/dbraw/zinc/07/73/03/179077303.db2.gz HJKJNEPHJGTISM-ZFWWWQNUSA-N 2 2 272.396 2.297 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512258 179086454 /nfs/dbraw/zinc/08/64/54/179086454.db2.gz IRLAFZJSIIZGRP-HRCADAONSA-N 2 2 266.429 2.264 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085512258 179086456 /nfs/dbraw/zinc/08/64/56/179086456.db2.gz IRLAFZJSIIZGRP-HRCADAONSA-N 2 2 266.429 2.264 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085516235 179087545 /nfs/dbraw/zinc/08/75/45/179087545.db2.gz XGKMIHKAKFVPKU-SJORKVTESA-N 2 2 288.439 2.126 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCn1cccn1 ZINC000085516235 179087546 /nfs/dbraw/zinc/08/75/46/179087546.db2.gz XGKMIHKAKFVPKU-SJORKVTESA-N 2 2 288.439 2.126 10 0 CEAELP CCC1(CC)C[N@H+](CCOCCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085520924 179087637 /nfs/dbraw/zinc/08/76/37/179087637.db2.gz ZJZVLBAYQABHRK-MRXNPFEDSA-N 2 2 298.471 2.282 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085520924 179087639 /nfs/dbraw/zinc/08/76/39/179087639.db2.gz ZJZVLBAYQABHRK-MRXNPFEDSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085526613 179089259 /nfs/dbraw/zinc/08/92/59/179089259.db2.gz FQORMZHUXFMCPW-JKSUJKDBSA-N 2 2 290.455 2.372 10 0 CEAELP CCc1nc2c(n1-c1ccc([NH+](C)C)cc1)CC[NH2+]C2 ZINC000085570410 179096412 /nfs/dbraw/zinc/09/64/12/179096412.db2.gz BNNIJEWHQRTZDF-UHFFFAOYSA-N 2 2 270.380 2.146 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000085611314 179103040 /nfs/dbraw/zinc/10/30/40/179103040.db2.gz LYFLUDQQEVMABG-HNNXBMFYSA-N 2 2 264.417 2.113 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000085611314 179103041 /nfs/dbraw/zinc/10/30/41/179103041.db2.gz LYFLUDQQEVMABG-HNNXBMFYSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614192 179103077 /nfs/dbraw/zinc/10/30/77/179103077.db2.gz FGDWUUOTRKRESE-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614192 179103079 /nfs/dbraw/zinc/10/30/79/179103079.db2.gz FGDWUUOTRKRESE-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000085626971 179107423 /nfs/dbraw/zinc/10/74/23/179107423.db2.gz MVMRUIGOEOLGKX-CJNGLKHVSA-N 2 2 284.407 2.297 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1Cc1cn2ccccc2n1 ZINC000085626971 179107425 /nfs/dbraw/zinc/10/74/25/179107425.db2.gz MVMRUIGOEOLGKX-CJNGLKHVSA-N 2 2 284.407 2.297 10 0 CEAELP COCCOCC[N@@H+]1C[C@@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621473 179105171 /nfs/dbraw/zinc/10/51/71/179105171.db2.gz DTTDUBTXVSZPDC-RDJZCZTQSA-N 2 2 292.423 2.075 10 0 CEAELP COCCOCC[N@H+]1C[C@@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621473 179105174 /nfs/dbraw/zinc/10/51/74/179105174.db2.gz DTTDUBTXVSZPDC-RDJZCZTQSA-N 2 2 292.423 2.075 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)C2CC2)C12CCCC2 ZINC000085681237 179113733 /nfs/dbraw/zinc/11/37/33/179113733.db2.gz HSEFVRZUWGLDSB-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)C2CC2)C12CCCC2 ZINC000085681237 179113736 /nfs/dbraw/zinc/11/37/36/179113736.db2.gz HSEFVRZUWGLDSB-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635098 179109320 /nfs/dbraw/zinc/10/93/20/179109320.db2.gz GAZGCZJUZIMFOE-XQLPTFJDSA-N 2 2 268.445 2.366 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000085799092 179172892 /nfs/dbraw/zinc/17/28/92/179172892.db2.gz OSTXYQCSESTWLH-NSHDSACASA-N 2 2 289.192 2.280 10 0 CEAELP CC[NH2+][C@@H](CCO)C[NH+]1CCC2(CCCCC2)CC1 ZINC000085922769 179201495 /nfs/dbraw/zinc/20/14/95/179201495.db2.gz VVTIYDWKLLKJRM-HNNXBMFYSA-N 2 2 268.445 2.393 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1CC1CC[NH+](C)CC1 ZINC000086173673 179244323 /nfs/dbraw/zinc/24/43/23/179244323.db2.gz PXNABJGOBWOLQW-SJORKVTESA-N 2 2 281.488 2.283 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)on1 ZINC000086292753 179266116 /nfs/dbraw/zinc/26/61/16/179266116.db2.gz BTTNFHQLCUNOPI-CYBMUJFWSA-N 2 2 251.374 2.193 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)on1 ZINC000086292753 179266119 /nfs/dbraw/zinc/26/61/19/179266119.db2.gz BTTNFHQLCUNOPI-CYBMUJFWSA-N 2 2 251.374 2.193 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296428 179267926 /nfs/dbraw/zinc/26/79/26/179267926.db2.gz ZCXPIHAIVKVDHV-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)cn1 ZINC000086296428 179267929 /nfs/dbraw/zinc/26/79/29/179267929.db2.gz ZCXPIHAIVKVDHV-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297897 179268576 /nfs/dbraw/zinc/26/85/76/179268576.db2.gz NRTCFLXQFXJFJN-GXTWGEPZSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297897 179268578 /nfs/dbraw/zinc/26/85/78/179268578.db2.gz NRTCFLXQFXJFJN-GXTWGEPZSA-N 2 2 267.442 2.396 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000086486110 179301871 /nfs/dbraw/zinc/30/18/71/179301871.db2.gz WLTBQUNZMMAJSF-LLVKDONJSA-N 2 2 280.169 2.425 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000086818550 179347598 /nfs/dbraw/zinc/34/75/98/179347598.db2.gz UHSUOMREOKNIMP-CABCVRRESA-N 3 2 278.444 2.372 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000086818550 179347601 /nfs/dbraw/zinc/34/76/01/179347601.db2.gz UHSUOMREOKNIMP-CABCVRRESA-N 3 2 278.444 2.372 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840791 179353060 /nfs/dbraw/zinc/35/30/60/179353060.db2.gz SJSOXMSBPQJZTF-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2cccnc2OC)CC1 ZINC000086840791 179353062 /nfs/dbraw/zinc/35/30/62/179353062.db2.gz SJSOXMSBPQJZTF-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890387 179366235 /nfs/dbraw/zinc/36/62/35/179366235.db2.gz MFLGRBFCQNMDJT-XQLPTFJDSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890387 179366236 /nfs/dbraw/zinc/36/62/36/179366236.db2.gz MFLGRBFCQNMDJT-XQLPTFJDSA-N 2 2 254.418 2.393 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891882 179366447 /nfs/dbraw/zinc/36/64/47/179366447.db2.gz RWJDIKZZKDYZMM-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891882 179366449 /nfs/dbraw/zinc/36/64/49/179366449.db2.gz RWJDIKZZKDYZMM-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@@H]1CCC[C@@](C(=O)OC)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915569 179367213 /nfs/dbraw/zinc/36/72/13/179367213.db2.gz LEZZCOSONMPSRY-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@@H]1CCC[C@@](C(=O)OC)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086915569 179367215 /nfs/dbraw/zinc/36/72/15/179367215.db2.gz LEZZCOSONMPSRY-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP C[C@H]1C[C@@](C[NH3+])([N@H+](C)Cc2ccsc2)CS1 ZINC000086936657 179367996 /nfs/dbraw/zinc/36/79/96/179367996.db2.gz NVRGDRPJZJRFPN-JQWIXIFHSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@H]1C[C@@](C[NH3+])([N@@H+](C)Cc2ccsc2)CS1 ZINC000086936657 179367997 /nfs/dbraw/zinc/36/79/97/179367997.db2.gz NVRGDRPJZJRFPN-JQWIXIFHSA-N 2 2 256.440 2.403 10 0 CEAELP CC(C)(C)[C@H]1CCC[C@@](C(N)=O)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086959769 179368450 /nfs/dbraw/zinc/36/84/50/179368450.db2.gz MMCSKCYXFJALDN-WMLDXEAASA-N 2 2 295.471 2.132 10 0 CEAELP CC(C)(C)[C@H]1CCC[C@@](C(N)=O)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086959769 179368452 /nfs/dbraw/zinc/36/84/52/179368452.db2.gz MMCSKCYXFJALDN-WMLDXEAASA-N 2 2 295.471 2.132 10 0 CEAELP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000086947110 179369053 /nfs/dbraw/zinc/36/90/53/179369053.db2.gz FERHWOFKGDCUPL-BRWVUGGUSA-N 2 2 281.488 2.427 10 0 CEAELP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000086947110 179369055 /nfs/dbraw/zinc/36/90/55/179369055.db2.gz FERHWOFKGDCUPL-BRWVUGGUSA-N 2 2 281.488 2.427 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616609367 348533275 /nfs/dbraw/zinc/53/32/75/348533275.db2.gz SSJKIXHPPKVVAZ-CYBMUJFWSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616609367 348533278 /nfs/dbraw/zinc/53/32/78/348533278.db2.gz SSJKIXHPPKVVAZ-CYBMUJFWSA-N 2 2 255.365 2.373 10 0 CEAELP Cc1cc(C(N)=[NH2+])cc(C)c1OCCCn1cc[nH+]c1 ZINC000088163287 179558695 /nfs/dbraw/zinc/55/86/95/179558695.db2.gz WJNCQOKUVCCJMF-UHFFFAOYSA-N 2 2 272.352 2.253 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2[nH+]1 ZINC000089453835 539716816 /nfs/dbraw/zinc/71/68/16/539716816.db2.gz HBSCYGNIFKCGPP-JQWIXIFHSA-N 2 2 272.352 2.185 10 0 CEAELP c1cn(CCCC[NH2+]C[C@@H]2Cc3ccccc3O2)c[nH+]1 ZINC000090874501 180050374 /nfs/dbraw/zinc/05/03/74/180050374.db2.gz NIMWDUSFYQKLSB-HNNXBMFYSA-N 2 2 271.364 2.257 10 0 CEAELP CCC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876252 180051142 /nfs/dbraw/zinc/05/11/42/180051142.db2.gz AJKHLYQMDBAFCD-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CCC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876252 180051144 /nfs/dbraw/zinc/05/11/44/180051144.db2.gz AJKHLYQMDBAFCD-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892003 180053857 /nfs/dbraw/zinc/05/38/57/180053857.db2.gz OTRZZIZHDBJRMX-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892003 180053860 /nfs/dbraw/zinc/05/38/60/180053860.db2.gz OTRZZIZHDBJRMX-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895276 180055898 /nfs/dbraw/zinc/05/58/98/180055898.db2.gz SVWHDPUUDZXXHU-ZIAGYGMSSA-N 2 2 289.354 2.306 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897230 180057073 /nfs/dbraw/zinc/05/70/73/180057073.db2.gz MJESRGFIBNZFLF-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897230 180057075 /nfs/dbraw/zinc/05/70/75/180057075.db2.gz MJESRGFIBNZFLF-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCC1)O2 ZINC000090897623 180057348 /nfs/dbraw/zinc/05/73/48/180057348.db2.gz STMFCZJGWWKMKK-HOCLYGCPSA-N 2 2 274.408 2.372 10 0 CEAELP C[N@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900153 180059024 /nfs/dbraw/zinc/05/90/24/180059024.db2.gz XNAZLQULNXJWAI-KGLIPLIRSA-N 2 2 280.799 2.327 10 0 CEAELP C[N@@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900153 180059027 /nfs/dbraw/zinc/05/90/27/180059027.db2.gz XNAZLQULNXJWAI-KGLIPLIRSA-N 2 2 280.799 2.327 10 0 CEAELP CC1CCC([C@H](C[NH3+])[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905845 180060695 /nfs/dbraw/zinc/06/06/95/180060695.db2.gz YRUYHZSLKYJHIQ-PCGVCOGMSA-N 2 2 252.402 2.003 10 0 CEAELP CC1CCC([C@H](C[NH3+])[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905845 180060696 /nfs/dbraw/zinc/06/06/96/180060696.db2.gz YRUYHZSLKYJHIQ-PCGVCOGMSA-N 2 2 252.402 2.003 10 0 CEAELP CCOC1CC[NH+](Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958096 180075154 /nfs/dbraw/zinc/07/51/54/180075154.db2.gz JVFJWUGVIMFJFQ-SNVBAGLBSA-N 2 2 269.414 2.164 10 0 CEAELP [NH3+]CCc1nc(C[NH+]2CCC(C(F)(F)F)CC2)cs1 ZINC000090958802 180075727 /nfs/dbraw/zinc/07/57/27/180075727.db2.gz SWYFQEHNVKDLLL-UHFFFAOYSA-N 2 2 293.358 2.419 10 0 CEAELP CC(C)[NH2+]Cc1cn(Cc2[nH+]ccn2C)c2ncccc12 ZINC000091020721 180087827 /nfs/dbraw/zinc/08/78/27/180087827.db2.gz OBYNAJWVCFSBGN-UHFFFAOYSA-N 2 2 283.379 2.316 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000091318359 180134002 /nfs/dbraw/zinc/13/40/02/180134002.db2.gz DEZVMLKWJSMAOV-AWEZNQCLSA-N 2 2 297.830 2.014 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091318359 180134005 /nfs/dbraw/zinc/13/40/05/180134005.db2.gz DEZVMLKWJSMAOV-AWEZNQCLSA-N 2 2 297.830 2.014 10 0 CEAELP CCCC1CC[NH+]([C@@H](C[NH3+])CC(=O)N(CC)CC)CC1 ZINC000091322873 180134537 /nfs/dbraw/zinc/13/45/37/180134537.db2.gz FACNPTUMJQSIBW-OAHLLOKOSA-N 2 2 283.460 2.084 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000091354213 180138366 /nfs/dbraw/zinc/13/83/66/180138366.db2.gz WQYKXZAYAQKZDZ-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000091354213 180138368 /nfs/dbraw/zinc/13/83/68/180138368.db2.gz WQYKXZAYAQKZDZ-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000091354213 180138370 /nfs/dbraw/zinc/13/83/70/180138370.db2.gz WQYKXZAYAQKZDZ-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276271 180119611 /nfs/dbraw/zinc/11/96/11/180119611.db2.gz WDYYZZBESAWSRE-YPMHNXCESA-N 2 2 250.390 2.338 10 0 CEAELP [NH3+]C[C@@H](Nc1cccc(F)c1)c1c[nH+]cn1C1CC1 ZINC000091276643 180119693 /nfs/dbraw/zinc/11/96/93/180119693.db2.gz YGSRWYFTLKQXGJ-CYBMUJFWSA-N 2 2 260.316 2.469 10 0 CEAELP C[C@H]1CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276564 180119976 /nfs/dbraw/zinc/11/99/76/180119976.db2.gz IHZZGBRLCSZELG-JSGCOSHPSA-N 2 2 262.401 2.340 10 0 CEAELP CC(C)[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276682 180120017 /nfs/dbraw/zinc/12/00/17/180120017.db2.gz NTLHPLZDAJDTHI-KBPBESRZSA-N 2 2 262.401 2.338 10 0 CEAELP CC(C)[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1cncn1C1CC1 ZINC000091276682 180120019 /nfs/dbraw/zinc/12/00/19/180120019.db2.gz NTLHPLZDAJDTHI-KBPBESRZSA-N 2 2 262.401 2.338 10 0 CEAELP CC[C@H](C)N(CC)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276236 180120112 /nfs/dbraw/zinc/12/01/12/180120112.db2.gz ZGKGXXHILJOPLP-AAEUAGOBSA-N 2 2 250.390 2.338 10 0 CEAELP [NH3+]C[C@@H](Nc1ccc(F)cc1)c1c[nH+]cn1C1CC1 ZINC000091276653 180120141 /nfs/dbraw/zinc/12/01/41/180120141.db2.gz AAMXKHSOQZFHEO-CYBMUJFWSA-N 2 2 260.316 2.469 10 0 CEAELP CCCCN(CC)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276198 180120338 /nfs/dbraw/zinc/12/03/38/180120338.db2.gz JJNIFHXJPXIUAL-ZDUSSCGKSA-N 2 2 250.390 2.340 10 0 CEAELP C[NH2+][C@@H]1CCc2c1cccc2OCc1c[nH+]cn1C ZINC000091278458 180121237 /nfs/dbraw/zinc/12/12/37/180121237.db2.gz DXBDIIJUTCRGDY-CQSZACIVSA-N 2 2 257.337 2.206 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)[N@H+](C)CC1CC(O)C1 ZINC000091464586 180163360 /nfs/dbraw/zinc/16/33/60/180163360.db2.gz HWWUGMHDDLVULQ-MFZLWJIHSA-N 2 2 288.844 2.493 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)[N@@H+](C)CC1CC(O)C1 ZINC000091464586 180163361 /nfs/dbraw/zinc/16/33/61/180163361.db2.gz HWWUGMHDDLVULQ-MFZLWJIHSA-N 2 2 288.844 2.493 10 0 CEAELP C[NH2+][C@@H](C)C(C)(C)C[N@H+](CCN(C)C)CC(C)C ZINC000091403266 180147555 /nfs/dbraw/zinc/14/75/55/180147555.db2.gz CHEKEFFJFJHMNW-AWEZNQCLSA-N 2 2 257.466 2.140 10 0 CEAELP C[NH2+][C@@H](C)C(C)(C)C[N@@H+](CCN(C)C)CC(C)C ZINC000091403266 180147557 /nfs/dbraw/zinc/14/75/57/180147557.db2.gz CHEKEFFJFJHMNW-AWEZNQCLSA-N 2 2 257.466 2.140 10 0 CEAELP CCC(CC)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091635101 180210869 /nfs/dbraw/zinc/21/08/69/180210869.db2.gz WPIDZFAMPVLLOR-INIZCTEOSA-N 3 2 290.455 2.449 10 0 CEAELP CCC(CC)([C@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091634732 180211278 /nfs/dbraw/zinc/21/12/78/180211278.db2.gz RGRFZXROAGWXFN-CQSZACIVSA-N 2 2 276.428 2.188 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1c(C)ccnc1N ZINC000091716421 180232934 /nfs/dbraw/zinc/23/29/34/180232934.db2.gz QTTHWJLCUPLAGJ-CYBMUJFWSA-N 2 2 264.417 2.355 10 0 CEAELP C[NH2+][C@@H](Cc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000091719662 180234273 /nfs/dbraw/zinc/23/42/73/180234273.db2.gz AFJPNOULEKHVDN-LBPRGKRZSA-N 2 2 260.303 2.398 10 0 CEAELP CC[NH2+][C@H](Cc1ccn(C2CCCC2)n1)C[NH+](C)C ZINC000091719751 180234302 /nfs/dbraw/zinc/23/43/02/180234302.db2.gz WDBAKDMNAPPUDS-CQSZACIVSA-N 2 2 264.417 2.080 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091719596 180234504 /nfs/dbraw/zinc/23/45/04/180234504.db2.gz NYYKZGFTLLTNPW-SNVBAGLBSA-N 2 2 262.275 2.017 10 0 CEAELP C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721453 180238465 /nfs/dbraw/zinc/23/84/65/180238465.db2.gz GNROODLLUNULMO-QLFBSQMISA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721453 180238466 /nfs/dbraw/zinc/23/84/66/180238466.db2.gz GNROODLLUNULMO-QLFBSQMISA-N 2 2 280.799 2.464 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721348 180238870 /nfs/dbraw/zinc/23/88/70/180238870.db2.gz VVBABIFKLHBWCT-IKGGRYGDSA-N 2 2 274.408 2.373 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721348 180238872 /nfs/dbraw/zinc/23/88/72/180238872.db2.gz VVBABIFKLHBWCT-IKGGRYGDSA-N 2 2 274.408 2.373 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926467 180287605 /nfs/dbraw/zinc/28/76/05/180287605.db2.gz SQMGMLUIAQPDFD-SJORKVTESA-N 2 2 285.391 2.340 10 0 CEAELP CC[C@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054146 180312826 /nfs/dbraw/zinc/31/28/26/180312826.db2.gz KPAVYRZLQPJUQG-HIFRSBDPSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054146 180312827 /nfs/dbraw/zinc/31/28/27/180312827.db2.gz KPAVYRZLQPJUQG-HIFRSBDPSA-N 2 2 278.396 2.067 10 0 CEAELP C[N@@H+]1CCO[C@@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054523 180313970 /nfs/dbraw/zinc/31/39/70/180313970.db2.gz CHHVOCVGDUHGOK-MRXNPFEDSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@@H](COc2cccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092054523 180313971 /nfs/dbraw/zinc/31/39/71/180313971.db2.gz CHHVOCVGDUHGOK-MRXNPFEDSA-N 2 2 292.423 2.284 10 0 CEAELP CC[NH2+][C@H](C)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054209 180314461 /nfs/dbraw/zinc/31/44/61/180314461.db2.gz MAOBVCIZUFGJDS-ZIAGYGMSSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054209 180314462 /nfs/dbraw/zinc/31/44/62/180314462.db2.gz MAOBVCIZUFGJDS-ZIAGYGMSSA-N 2 2 278.396 2.067 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)cc1F ZINC000092082309 180319926 /nfs/dbraw/zinc/31/99/26/180319926.db2.gz MDWVQPIAFADPOJ-MJVIPROJSA-N 2 2 266.360 2.422 10 0 CEAELP CCC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087515 180321301 /nfs/dbraw/zinc/32/13/01/180321301.db2.gz RBALNQUVOGUIHI-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CCC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OC ZINC000092087515 180321302 /nfs/dbraw/zinc/32/13/02/180321302.db2.gz RBALNQUVOGUIHI-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]CCSc1ccccc1 ZINC000092243736 180351886 /nfs/dbraw/zinc/35/18/86/180351886.db2.gz BVTUJOYNLOLFCC-UHFFFAOYSA-N 2 2 261.394 2.345 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300149 180358622 /nfs/dbraw/zinc/35/86/22/180358622.db2.gz MTADMULGFDIFLX-STQMWFEESA-N 2 2 257.337 2.037 10 0 CEAELP CNc1cccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)[nH+]1 ZINC000092370628 180369955 /nfs/dbraw/zinc/36/99/55/180369955.db2.gz VUXUVTJUAQMSOF-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1[N@H+](C)CCOC ZINC000092385713 180373742 /nfs/dbraw/zinc/37/37/42/180373742.db2.gz XQOFVVFOVTTYMD-SJORKVTESA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@H]1c2cc(OC)ccc2CC[C@H]1[N@@H+](C)CCOC ZINC000092385713 180373744 /nfs/dbraw/zinc/37/37/44/180373744.db2.gz XQOFVVFOVTTYMD-SJORKVTESA-N 2 2 292.423 2.239 10 0 CEAELP C[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931287 186333345 /nfs/dbraw/zinc/33/33/45/186333345.db2.gz KXUPBXDSAVPOGY-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931287 186333346 /nfs/dbraw/zinc/33/33/46/186333346.db2.gz KXUPBXDSAVPOGY-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP CCC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945669 186335319 /nfs/dbraw/zinc/33/53/19/186335319.db2.gz JAPBWSFGPSXUMC-CVEARBPZSA-N 2 2 262.397 2.184 10 0 CEAELP CCC[N@@H+](C[C@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945669 186335321 /nfs/dbraw/zinc/33/53/21/186335321.db2.gz JAPBWSFGPSXUMC-CVEARBPZSA-N 2 2 262.397 2.184 10 0 CEAELP CCC[N@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946657 186335457 /nfs/dbraw/zinc/33/54/57/186335457.db2.gz PNXLADOAEFJUBL-HUUCEWRRSA-N 2 2 290.407 2.290 10 0 CEAELP CCC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946657 186335459 /nfs/dbraw/zinc/33/54/59/186335459.db2.gz PNXLADOAEFJUBL-HUUCEWRRSA-N 2 2 290.407 2.290 10 0 CEAELP CC[N@H+](CCOc1cccc(C)c1)[C@H]1CCC[NH2+]C1 ZINC000110944677 186335797 /nfs/dbraw/zinc/33/57/97/186335797.db2.gz CPEPGKWMKFLKEV-HNNXBMFYSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](CCOc1cccc(C)c1)[C@H]1CCC[NH2+]C1 ZINC000110944677 186335799 /nfs/dbraw/zinc/33/57/99/186335799.db2.gz CPEPGKWMKFLKEV-HNNXBMFYSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH2+]CC1(C[N@@H+]2CCN(C)C(C)(C)C2)CCCC1 ZINC000110747145 186319888 /nfs/dbraw/zinc/31/98/88/186319888.db2.gz HOERQPAQXSSLMR-UHFFFAOYSA-N 2 2 267.461 2.182 10 0 CEAELP CC[NH2+]CC1(C[N@H+]2CCN(C)C(C)(C)C2)CCCC1 ZINC000110747145 186319890 /nfs/dbraw/zinc/31/98/90/186319890.db2.gz HOERQPAQXSSLMR-UHFFFAOYSA-N 2 2 267.461 2.182 10 0 CEAELP CN1CC[N@H+](Cc2c3ccccc3oc2C[NH3+])CC1(C)C ZINC000110754613 186320457 /nfs/dbraw/zinc/32/04/57/186320457.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 2 2 287.407 2.418 10 0 CEAELP CN1CC[N@@H+](Cc2c3ccccc3oc2C[NH3+])CC1(C)C ZINC000110754613 186320459 /nfs/dbraw/zinc/32/04/59/186320459.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 2 2 287.407 2.418 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000111043636 186347538 /nfs/dbraw/zinc/34/75/38/186347538.db2.gz OFCSJPGSIFQLHA-FPMFFAJLSA-N 2 2 259.353 2.249 10 0 CEAELP Cc1oc(C[N@H+](C)CCC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000111150275 186360535 /nfs/dbraw/zinc/36/05/35/186360535.db2.gz YAMFSENFTOUJMD-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP Cc1oc(C[N@@H+](C)CCC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000111150275 186360537 /nfs/dbraw/zinc/36/05/37/186360537.db2.gz YAMFSENFTOUJMD-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CC1CCOCC1 ZINC000111155737 186361496 /nfs/dbraw/zinc/36/14/96/186361496.db2.gz XAWOAFSTUMTNPT-CVEARBPZSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CC1CCOCC1 ZINC000111155737 186361498 /nfs/dbraw/zinc/36/14/98/186361498.db2.gz XAWOAFSTUMTNPT-CVEARBPZSA-N 2 2 277.412 2.218 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111156270 186362102 /nfs/dbraw/zinc/36/21/02/186362102.db2.gz WQLOOBSXFJJUJP-IUODEOHRSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111156270 186362103 /nfs/dbraw/zinc/36/21/03/186362103.db2.gz WQLOOBSXFJJUJP-IUODEOHRSA-N 2 2 266.385 2.335 10 0 CEAELP CCOCC[N@H+](CC)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116750 186353499 /nfs/dbraw/zinc/35/34/99/186353499.db2.gz DDFJFTSYPPZTNG-CJNGLKHVSA-N 2 2 280.412 2.442 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000111116750 186353501 /nfs/dbraw/zinc/35/35/01/186353501.db2.gz DDFJFTSYPPZTNG-CJNGLKHVSA-N 2 2 280.412 2.442 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117277 186354565 /nfs/dbraw/zinc/35/45/65/186354565.db2.gz PJOCWQNUJJQMPW-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117277 186354566 /nfs/dbraw/zinc/35/45/66/186354566.db2.gz PJOCWQNUJJQMPW-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117351 186355482 /nfs/dbraw/zinc/35/54/82/186355482.db2.gz ZSUJOOVQIXLGQB-HNNXBMFYSA-N 2 2 268.376 2.492 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117351 186355484 /nfs/dbraw/zinc/35/54/84/186355484.db2.gz ZSUJOOVQIXLGQB-HNNXBMFYSA-N 2 2 268.376 2.492 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147743 186359102 /nfs/dbraw/zinc/35/91/02/186359102.db2.gz BUHBGRQQPLTAOM-LSDHHAIUSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147743 186359104 /nfs/dbraw/zinc/35/91/04/186359104.db2.gz BUHBGRQQPLTAOM-LSDHHAIUSA-N 3 2 255.450 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@H+](C)CCC[NH+](C)C ZINC000111147534 186359666 /nfs/dbraw/zinc/35/96/66/186359666.db2.gz YTARXZGKHCYODY-OAHLLOKOSA-N 3 2 257.466 2.284 10 0 CEAELP CC[C@](C)(C[NH2+]C(C)C)C[N@@H+](C)CCC[NH+](C)C ZINC000111147534 186359667 /nfs/dbraw/zinc/35/96/67/186359667.db2.gz YTARXZGKHCYODY-OAHLLOKOSA-N 3 2 257.466 2.284 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154945 186360291 /nfs/dbraw/zinc/36/02/91/186360291.db2.gz MKILUPZQWPGNAL-MBNYWOFBSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154945 186360293 /nfs/dbraw/zinc/36/02/93/186360293.db2.gz MKILUPZQWPGNAL-MBNYWOFBSA-N 2 2 252.358 2.026 10 0 CEAELP Cc1ccnc2[nH]c([C@@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc21 ZINC000111280130 186388155 /nfs/dbraw/zinc/38/81/55/186388155.db2.gz GGBASCSEZCGICI-ZDUSSCGKSA-N 2 2 285.395 2.155 10 0 CEAELP Cc1ccnc2[nH]c([C@@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc21 ZINC000111280130 186388156 /nfs/dbraw/zinc/38/81/56/186388156.db2.gz GGBASCSEZCGICI-ZDUSSCGKSA-N 2 2 285.395 2.155 10 0 CEAELP COc1ccc[nH+]c1N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094703 351616430 /nfs/dbraw/zinc/61/64/30/351616430.db2.gz WTESIOPYKUYKRU-ZJUUUORDSA-N 2 2 289.301 2.054 10 0 CEAELP CO[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630359570 351711231 /nfs/dbraw/zinc/71/12/31/351711231.db2.gz GLOKWTGNDGRQOQ-HUUCEWRRSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630359570 351711233 /nfs/dbraw/zinc/71/12/33/351711233.db2.gz GLOKWTGNDGRQOQ-HUUCEWRRSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@H+](Cc2ccc(C)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630365018 351713263 /nfs/dbraw/zinc/71/32/63/351713263.db2.gz HHILLYGLTTXSSU-CVEARBPZSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2ccc(C)c(C)c2)[C@](C)(C[NH3+])C1 ZINC000630365018 351713265 /nfs/dbraw/zinc/71/32/65/351713265.db2.gz HHILLYGLTTXSSU-CVEARBPZSA-N 2 2 262.397 2.242 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000122936484 187060788 /nfs/dbraw/zinc/06/07/88/187060788.db2.gz KLDIVQQIKSTETH-OAHLLOKOSA-N 2 2 275.396 2.429 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000122936484 187060789 /nfs/dbraw/zinc/06/07/89/187060789.db2.gz KLDIVQQIKSTETH-OAHLLOKOSA-N 2 2 275.396 2.429 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000133035464 187661372 /nfs/dbraw/zinc/66/13/72/187661372.db2.gz ZXZSMJSOLDBQPE-IRXDYDNUSA-N 2 2 276.424 2.318 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000133035464 187661373 /nfs/dbraw/zinc/66/13/73/187661373.db2.gz ZXZSMJSOLDBQPE-IRXDYDNUSA-N 2 2 276.424 2.318 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000578062607 366437143 /nfs/dbraw/zinc/43/71/43/366437143.db2.gz ADQPLBWDYMJZRL-GJZGRUSLSA-N 3 2 255.450 2.083 10 0 CEAELP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151282570 366635961 /nfs/dbraw/zinc/63/59/61/366635961.db2.gz HYHYPHXRUYUANA-HUUCEWRRSA-N 2 2 292.423 2.193 10 0 CEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326176 366640226 /nfs/dbraw/zinc/64/02/26/366640226.db2.gz OBTRYZOVBICLJP-HOCLYGCPSA-N 2 2 292.423 2.193 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000178312238 189106200 /nfs/dbraw/zinc/10/62/00/189106200.db2.gz UUTWHQXJFMCZIC-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000178312238 189106201 /nfs/dbraw/zinc/10/62/01/189106201.db2.gz UUTWHQXJFMCZIC-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000183180438 189349133 /nfs/dbraw/zinc/34/91/33/189349133.db2.gz OTEFJXSAHRXPCD-INIZCTEOSA-N 3 2 299.422 2.411 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000183180438 189349134 /nfs/dbraw/zinc/34/91/34/189349134.db2.gz OTEFJXSAHRXPCD-INIZCTEOSA-N 3 2 299.422 2.411 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000022939581 361591507 /nfs/dbraw/zinc/59/15/07/361591507.db2.gz XFRVUAWMTUZCRN-UHFFFAOYSA-N 2 2 261.344 2.445 10 0 CEAELP CC[N@H+](CCO)CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000302207269 201396370 /nfs/dbraw/zinc/39/63/70/201396370.db2.gz AFXNMNMXRQQNLQ-UHFFFAOYSA-N 2 2 291.370 2.408 10 0 CEAELP CC[N@@H+](CCO)CCNc1cc(C)[nH+]c2c(F)cccc12 ZINC000302207269 201396372 /nfs/dbraw/zinc/39/63/72/201396372.db2.gz AFXNMNMXRQQNLQ-UHFFFAOYSA-N 2 2 291.370 2.408 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000631840070 367581008 /nfs/dbraw/zinc/58/10/08/367581008.db2.gz PEVHTGUSNFQCLK-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccco3)n2)C[C@H]1C[NH3+] ZINC000631840070 367581016 /nfs/dbraw/zinc/58/10/16/367581016.db2.gz PEVHTGUSNFQCLK-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114715 368750772 /nfs/dbraw/zinc/75/07/72/368750772.db2.gz JPMHBXSEJLWROR-IRXDYDNUSA-N 2 2 291.439 2.359 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999402 369033018 /nfs/dbraw/zinc/03/30/18/369033018.db2.gz UFJWEWOFZJKMDG-SCZZXKLOSA-N 2 2 258.287 2.131 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999402 369033022 /nfs/dbraw/zinc/03/30/22/369033022.db2.gz UFJWEWOFZJKMDG-SCZZXKLOSA-N 2 2 258.287 2.131 10 0 CEAELP CCC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000190221948 369605563 /nfs/dbraw/zinc/60/55/63/369605563.db2.gz BUQPWEYYGFTIBL-CYBMUJFWSA-N 2 2 263.385 2.452 10 0 CEAELP O[C@@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCCC1 ZINC000193036976 369885557 /nfs/dbraw/zinc/88/55/57/369885557.db2.gz PDKVEYAVBYDYLQ-LBPRGKRZSA-N 2 2 288.844 2.338 10 0 CEAELP C[C@H](CC[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193582141 369958212 /nfs/dbraw/zinc/95/82/12/369958212.db2.gz SWQRLIDPJOOYQO-NVXWUHKLSA-N 2 2 276.424 2.443 10 0 CEAELP C[C@H](CC[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193582141 369958219 /nfs/dbraw/zinc/95/82/19/369958219.db2.gz SWQRLIDPJOOYQO-NVXWUHKLSA-N 2 2 276.424 2.443 10 0 CEAELP CC(C)n1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231669458 370486258 /nfs/dbraw/zinc/48/62/58/370486258.db2.gz DTRYJXWEVPYQNJ-AWEZNQCLSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)n1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n1 ZINC000231669458 370486260 /nfs/dbraw/zinc/48/62/60/370486260.db2.gz DTRYJXWEVPYQNJ-AWEZNQCLSA-N 2 2 250.390 2.038 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000235365020 370563764 /nfs/dbraw/zinc/56/37/64/370563764.db2.gz GSZLLCHTRIFWNZ-SKDRFNHKSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000235365020 370563769 /nfs/dbraw/zinc/56/37/69/370563769.db2.gz GSZLLCHTRIFWNZ-SKDRFNHKSA-N 2 2 256.296 2.067 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247136452 371069692 /nfs/dbraw/zinc/06/96/92/371069692.db2.gz VYPXURNRGMILLR-QLFBSQMISA-N 2 2 255.450 2.035 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136452 371069696 /nfs/dbraw/zinc/06/96/96/371069696.db2.gz VYPXURNRGMILLR-QLFBSQMISA-N 2 2 255.450 2.035 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000249371360 371316909 /nfs/dbraw/zinc/31/69/09/371316909.db2.gz PBBDUOSVVHRZRY-LSDHHAIUSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000249371360 371316911 /nfs/dbraw/zinc/31/69/11/371316911.db2.gz PBBDUOSVVHRZRY-LSDHHAIUSA-N 2 2 263.385 2.225 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261587402 371664568 /nfs/dbraw/zinc/66/45/68/371664568.db2.gz VANRQSQQQDPKAT-DRZSPHRISA-N 2 2 265.426 2.436 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261587402 371664576 /nfs/dbraw/zinc/66/45/76/371664576.db2.gz VANRQSQQQDPKAT-DRZSPHRISA-N 2 2 265.426 2.436 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)[C@H]1C ZINC000261599927 371671385 /nfs/dbraw/zinc/67/13/85/371671385.db2.gz WGOANOQNRZGZJM-UGUYLWEFSA-N 2 2 295.471 2.001 10 0 CEAELP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)[C@H]1C ZINC000261599927 371671390 /nfs/dbraw/zinc/67/13/90/371671390.db2.gz WGOANOQNRZGZJM-UGUYLWEFSA-N 2 2 295.471 2.001 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]12 ZINC000261577953 371658998 /nfs/dbraw/zinc/65/89/98/371658998.db2.gz CZTKJRXKLSKJNJ-OPQQBVKSSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@@H]12 ZINC000261577953 371659003 /nfs/dbraw/zinc/65/90/03/371659003.db2.gz CZTKJRXKLSKJNJ-OPQQBVKSSA-N 2 2 270.298 2.273 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261887880 371763462 /nfs/dbraw/zinc/76/34/62/371763462.db2.gz ZGPGCMPBLKTRQY-OAHLLOKOSA-N 2 2 285.395 2.006 10 0 CEAELP C[N@H+](Cc1nccn1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000261948585 371781971 /nfs/dbraw/zinc/78/19/71/371781971.db2.gz NOYQIETXZXASOH-HNNXBMFYSA-N 2 2 284.407 2.446 10 0 CEAELP C[N@@H+](Cc1nccn1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000261948585 371781983 /nfs/dbraw/zinc/78/19/83/371781983.db2.gz NOYQIETXZXASOH-HNNXBMFYSA-N 2 2 284.407 2.446 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475873 375304623 /nfs/dbraw/zinc/30/46/23/375304623.db2.gz WFDFJXPMEJGAID-HIFRSBDPSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475873 375304628 /nfs/dbraw/zinc/30/46/28/375304628.db2.gz WFDFJXPMEJGAID-HIFRSBDPSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448724 376850663 /nfs/dbraw/zinc/85/06/63/376850663.db2.gz COVSKAMFCOESCS-OLZOCXBDSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448724 376850671 /nfs/dbraw/zinc/85/06/71/376850671.db2.gz COVSKAMFCOESCS-OLZOCXBDSA-N 2 2 278.396 2.449 10 0 CEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCC[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000081640288 177834703 /nfs/dbraw/zinc/83/47/03/177834703.db2.gz OBRXRFUQOZLUPJ-LQKXBSAESA-N 2 2 266.429 2.393 10 0 CEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCC[C@H](C3CC3)C2)C[C@H](C)O1 ZINC000081640288 177834706 /nfs/dbraw/zinc/83/47/06/177834706.db2.gz OBRXRFUQOZLUPJ-LQKXBSAESA-N 2 2 266.429 2.393 10 0 CEAELP C(C1CC[NH+](C[C@@H]2CCCCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000081038839 177758680 /nfs/dbraw/zinc/75/86/80/177758680.db2.gz HVZYQCMABKVRAK-KRWDZBQOSA-N 3 2 279.472 2.326 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])[C@H]1CCc2ccccc2C1 ZINC000094162268 184757471 /nfs/dbraw/zinc/75/74/71/184757471.db2.gz MDGFUCYFXFFTHJ-LSDHHAIUSA-N 2 2 255.365 2.095 10 0 CEAELP CCC[NH2+][C@@H](Cc1nc2ccccc2n1C)C[NH+](C)C ZINC000094171911 184758934 /nfs/dbraw/zinc/75/89/34/184758934.db2.gz IIYVPURPKOOCMB-ZDUSSCGKSA-N 2 2 274.412 2.046 10 0 CEAELP Cc1cccc(N2CC[NH+]([C@@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC000040431879 134860276 /nfs/dbraw/zinc/86/02/76/134860276.db2.gz SKDXTPIZXNEJRN-DLBZAZTESA-N 2 2 273.424 2.387 10 0 CEAELP C[C@@H]1C[NH2+][C@@H](C2CC2)CN1c1ccc([NH+](C)C)cc1 ZINC000086219022 135039665 /nfs/dbraw/zinc/03/96/65/135039665.db2.gz RDUCPYBNVNSWMO-MLGOLLRUSA-N 2 2 259.397 2.329 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089147838 135058460 /nfs/dbraw/zinc/05/84/60/135058460.db2.gz MCLVHCGBROPPBA-XJKSGUPXSA-N 2 2 275.396 2.063 10 0 CEAELP C[C@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000092957710 135077488 /nfs/dbraw/zinc/07/74/88/135077488.db2.gz MENMDHMLGPQRLA-KGLIPLIRSA-N 2 2 293.842 2.460 10 0 CEAELP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)nc[nH+]1 ZINC000154928257 395024741 /nfs/dbraw/zinc/02/47/41/395024741.db2.gz MZLXEHSMVKQBTA-CYBMUJFWSA-N 2 2 260.385 2.238 10 0 CEAELP Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc[nH+]1 ZINC000154928257 395024745 /nfs/dbraw/zinc/02/47/45/395024745.db2.gz MZLXEHSMVKQBTA-CYBMUJFWSA-N 2 2 260.385 2.238 10 0 CEAELP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000228089943 153358018 /nfs/dbraw/zinc/35/80/18/153358018.db2.gz XWZXKOKINBPOKS-HLLBOEOZSA-N 2 2 276.424 2.052 10 0 CEAELP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000228089943 153358021 /nfs/dbraw/zinc/35/80/21/153358021.db2.gz XWZXKOKINBPOKS-HLLBOEOZSA-N 2 2 276.424 2.052 10 0 CEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261756085 153831764 /nfs/dbraw/zinc/83/17/64/153831764.db2.gz LLDCMOAXXDRESL-UKRRQHHQSA-N 2 2 289.423 2.097 10 0 CEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261756085 153831766 /nfs/dbraw/zinc/83/17/66/153831766.db2.gz LLDCMOAXXDRESL-UKRRQHHQSA-N 2 2 289.423 2.097 10 0 CEAELP c1cc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n[nH]1 ZINC000179981698 165297012 /nfs/dbraw/zinc/29/70/12/165297012.db2.gz BATDUFWZHJFEGI-UHFFFAOYSA-N 2 2 281.363 2.437 10 0 CEAELP COc1cc([C@@H](C[NH3+])[N@H+](C)C(C)C)cc(OC)c1OC ZINC000022172335 171368617 /nfs/dbraw/zinc/36/86/17/171368617.db2.gz PQIKWFFDPULFSR-GFCCVEGCSA-N 2 2 282.384 2.052 10 0 CEAELP COc1cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000022172335 171368618 /nfs/dbraw/zinc/36/86/18/171368618.db2.gz PQIKWFFDPULFSR-GFCCVEGCSA-N 2 2 282.384 2.052 10 0 CEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035382277 172164772 /nfs/dbraw/zinc/16/47/72/172164772.db2.gz NIEIEDJILUPLJD-LURJTMIESA-N 2 2 256.103 2.008 10 0 CEAELP CCCN(CCC[NH3+])c1cc(C)[nH+]c(C(C)C)n1 ZINC000035663794 172342514 /nfs/dbraw/zinc/34/25/14/172342514.db2.gz GADVKRAYYJYGRR-UHFFFAOYSA-N 2 2 250.390 2.474 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502907 174299299 /nfs/dbraw/zinc/29/92/99/174299299.db2.gz YMFZAUIGHBUCSW-WFASDCNBSA-N 2 2 290.411 2.312 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000040502907 174299301 /nfs/dbraw/zinc/29/93/01/174299301.db2.gz YMFZAUIGHBUCSW-WFASDCNBSA-N 2 2 290.411 2.312 10 0 CEAELP Cc1nc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)s1 ZINC000040638972 174363108 /nfs/dbraw/zinc/36/31/08/174363108.db2.gz JXMYJWPVXRGRNH-SECBINFHSA-N 2 2 264.398 2.387 10 0 CEAELP CC(C)=CC[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040673052 174371398 /nfs/dbraw/zinc/37/13/98/174371398.db2.gz ZQPYCGFVYZTOSE-INIZCTEOSA-N 2 2 265.445 2.101 10 0 CEAELP CC[N@H+](C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747485 174392491 /nfs/dbraw/zinc/39/24/91/174392491.db2.gz BOFQTLJMTDDFBP-FKEKPDDDSA-N 3 2 279.472 2.464 10 0 CEAELP CC[N@@H+](C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747485 174392492 /nfs/dbraw/zinc/39/24/92/174392492.db2.gz BOFQTLJMTDDFBP-FKEKPDDDSA-N 3 2 279.472 2.464 10 0 CEAELP Cc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750088 174395271 /nfs/dbraw/zinc/39/52/71/174395271.db2.gz IEEDGCLEBIFJLD-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1C ZINC000040750088 174395272 /nfs/dbraw/zinc/39/52/72/174395272.db2.gz IEEDGCLEBIFJLD-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@H](C)COCc2ccccc2)n1C ZINC000657378875 414900576 /nfs/dbraw/zinc/90/05/76/414900576.db2.gz NKDVZDPDBLQHTK-CYBMUJFWSA-N 2 2 273.380 2.423 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCC1 ZINC000043340870 175014617 /nfs/dbraw/zinc/01/46/17/175014617.db2.gz MQLJJXPKMPVGQQ-ZBFHGGJFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCC1 ZINC000043340870 175014618 /nfs/dbraw/zinc/01/46/18/175014618.db2.gz MQLJJXPKMPVGQQ-ZBFHGGJFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345947 175016674 /nfs/dbraw/zinc/01/66/74/175016674.db2.gz UHJZGJDDPJYASA-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345947 175016676 /nfs/dbraw/zinc/01/66/76/175016676.db2.gz UHJZGJDDPJYASA-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCC1 ZINC000043348339 175018684 /nfs/dbraw/zinc/01/86/84/175018684.db2.gz HKKKPXUWANWDFT-CVEARBPZSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCC1 ZINC000043348339 175018686 /nfs/dbraw/zinc/01/86/86/175018686.db2.gz HKKKPXUWANWDFT-CVEARBPZSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043353068 175020300 /nfs/dbraw/zinc/02/03/00/175020300.db2.gz OPGVBXBOUOTWIU-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043353068 175020302 /nfs/dbraw/zinc/02/03/02/175020302.db2.gz OPGVBXBOUOTWIU-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394462 175035220 /nfs/dbraw/zinc/03/52/20/175035220.db2.gz LCFQSGCETPAJEZ-QGZVFWFLSA-N 2 2 294.439 2.288 10 0 CEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394462 175035222 /nfs/dbraw/zinc/03/52/22/175035222.db2.gz LCFQSGCETPAJEZ-QGZVFWFLSA-N 2 2 294.439 2.288 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)Cc1ccccc1)OCCO2 ZINC000043816424 175112622 /nfs/dbraw/zinc/11/26/22/175112622.db2.gz WKRXURFZOBKRRX-HZPDHXFCSA-N 2 2 290.407 2.002 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)Cc1ccccc1)OCCO2 ZINC000043816424 175112623 /nfs/dbraw/zinc/11/26/23/175112623.db2.gz WKRXURFZOBKRRX-HZPDHXFCSA-N 2 2 290.407 2.002 10 0 CEAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](CC)C1CC1)OCCO2 ZINC000043822298 175114505 /nfs/dbraw/zinc/11/45/05/175114505.db2.gz SQKCRYPZMCHTBK-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](CC)C1CC1)OCCO2 ZINC000043822298 175114507 /nfs/dbraw/zinc/11/45/07/175114507.db2.gz SQKCRYPZMCHTBK-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@H]1[N@H+](CC)CCOC ZINC000043968646 175129515 /nfs/dbraw/zinc/12/95/15/175129515.db2.gz SKQXPSFOHZHXED-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@H]1[N@@H+](CC)CCOC ZINC000043968646 175129517 /nfs/dbraw/zinc/12/95/17/175129517.db2.gz SKQXPSFOHZHXED-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969611 175130525 /nfs/dbraw/zinc/13/05/25/175130525.db2.gz SKGFLPCKFQMCRY-CJNGLKHVSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969611 175130526 /nfs/dbraw/zinc/13/05/26/175130526.db2.gz SKGFLPCKFQMCRY-CJNGLKHVSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](C[N@H+](CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970837 175131703 /nfs/dbraw/zinc/13/17/03/175131703.db2.gz AWWBMJJWFQVGIX-KRWDZBQOSA-N 2 2 294.439 2.240 10 0 CEAELP C[NH2+][C@@H](C[N@@H+](CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970837 175131704 /nfs/dbraw/zinc/13/17/04/175131704.db2.gz AWWBMJJWFQVGIX-KRWDZBQOSA-N 2 2 294.439 2.240 10 0 CEAELP CCc1ccc([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121216 175142856 /nfs/dbraw/zinc/14/28/56/175142856.db2.gz FFCXBFPOALJKSZ-KRWDZBQOSA-N 2 2 276.424 2.308 10 0 CEAELP CCc1ccc([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121216 175142857 /nfs/dbraw/zinc/14/28/57/175142857.db2.gz FFCXBFPOALJKSZ-KRWDZBQOSA-N 2 2 276.424 2.308 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089913 415202982 /nfs/dbraw/zinc/20/29/82/415202982.db2.gz CBWSLZIUAOIXGW-SYQHCUMBSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658089913 415202989 /nfs/dbraw/zinc/20/29/89/415202989.db2.gz CBWSLZIUAOIXGW-SYQHCUMBSA-N 2 2 266.429 2.262 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312545 /nfs/dbraw/zinc/31/25/45/175312545.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312547 /nfs/dbraw/zinc/31/25/47/175312547.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312548 /nfs/dbraw/zinc/31/25/48/175312548.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312549 /nfs/dbraw/zinc/31/25/49/175312549.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 3 2 267.461 2.037 10 0 CEAELP CC[N@H+](CC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045224178 175331877 /nfs/dbraw/zinc/33/18/77/175331877.db2.gz VJDGYSKIORPGCN-MRXNPFEDSA-N 2 2 281.444 2.027 10 0 CEAELP CC[N@@H+](CC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045224178 175331878 /nfs/dbraw/zinc/33/18/78/175331878.db2.gz VJDGYSKIORPGCN-MRXNPFEDSA-N 2 2 281.444 2.027 10 0 CEAELP COC(=O)[C@](C)(CCCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378286 175367468 /nfs/dbraw/zinc/36/74/68/175367468.db2.gz PQMCIWNSADVVKD-INIZCTEOSA-N 2 2 282.428 2.326 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420055 175378502 /nfs/dbraw/zinc/37/85/02/175378502.db2.gz XELXRRHDHVQVDQ-INIZCTEOSA-N 2 2 277.412 2.065 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420055 175378504 /nfs/dbraw/zinc/37/85/04/175378504.db2.gz XELXRRHDHVQVDQ-INIZCTEOSA-N 2 2 277.412 2.065 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+](CC)c1cccc(C)c1)C(N)=O ZINC000045420057 175378827 /nfs/dbraw/zinc/37/88/27/175378827.db2.gz XLDNWDDGIMCPFL-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+](CC)c1cccc(C)c1)C(N)=O ZINC000045420057 175378828 /nfs/dbraw/zinc/37/88/28/175378828.db2.gz XLDNWDDGIMCPFL-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000070480030 175952224 /nfs/dbraw/zinc/95/22/24/175952224.db2.gz OUYXBXKQUOJEDU-KBPBESRZSA-N 2 2 262.401 2.248 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000070480030 175952225 /nfs/dbraw/zinc/95/22/25/175952225.db2.gz OUYXBXKQUOJEDU-KBPBESRZSA-N 2 2 262.401 2.248 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)C1 ZINC000071123870 176035029 /nfs/dbraw/zinc/03/50/29/176035029.db2.gz AOMDKCXZKWZDIT-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000071123870 176035030 /nfs/dbraw/zinc/03/50/30/176035030.db2.gz AOMDKCXZKWZDIT-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191481 176069848 /nfs/dbraw/zinc/06/98/48/176069848.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191481 176069849 /nfs/dbraw/zinc/06/98/49/176069849.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191481 176069850 /nfs/dbraw/zinc/06/98/50/176069850.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191481 176069854 /nfs/dbraw/zinc/06/98/54/176069854.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000071198342 176077044 /nfs/dbraw/zinc/07/70/44/176077044.db2.gz OVSQNQCVOOEKHT-OAHLLOKOSA-N 2 2 250.361 2.441 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000071198342 176077045 /nfs/dbraw/zinc/07/70/45/176077045.db2.gz OVSQNQCVOOEKHT-OAHLLOKOSA-N 2 2 250.361 2.441 10 0 CEAELP CC[C@H]1C[NH2+]C(C)(C)CN1Cc1cn2ccccc2[nH+]1 ZINC000071342317 176130502 /nfs/dbraw/zinc/13/05/02/176130502.db2.gz FXEXDCHQWHNOIY-AWEZNQCLSA-N 2 2 272.396 2.297 10 0 CEAELP COCCOCC[N@@H+]1CC2(CCCC2)[NH2+]CC12CCCC2 ZINC000071359124 176137505 /nfs/dbraw/zinc/13/75/05/176137505.db2.gz FLERHBIYIYTYOH-UHFFFAOYSA-N 2 2 296.455 2.180 10 0 CEAELP COCCOCC[N@H+]1CC2(CCCC2)[NH2+]CC12CCCC2 ZINC000071359124 176137507 /nfs/dbraw/zinc/13/75/07/176137507.db2.gz FLERHBIYIYTYOH-UHFFFAOYSA-N 2 2 296.455 2.180 10 0 CEAELP COc1ccc(C[C@H]([NH3+])C[NH+](C)C)cc1C(C)C ZINC000071572680 176199015 /nfs/dbraw/zinc/19/90/15/176199015.db2.gz LZHYEEKCAMBHQT-ZDUSSCGKSA-N 2 2 250.386 2.250 10 0 CEAELP COc1cc(C)c(Cl)c(C)c1CC[N@H+](C)CC[NH3+] ZINC000076409111 177020150 /nfs/dbraw/zinc/02/01/50/177020150.db2.gz CRGFCYPFKKBLLI-UHFFFAOYSA-N 2 2 270.804 2.398 10 0 CEAELP COc1cc(C)c(Cl)c(C)c1CC[N@@H+](C)CC[NH3+] ZINC000076409111 177020151 /nfs/dbraw/zinc/02/01/51/177020151.db2.gz CRGFCYPFKKBLLI-UHFFFAOYSA-N 2 2 270.804 2.398 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CC2)cc1Cl ZINC000077609411 177285316 /nfs/dbraw/zinc/28/53/16/177285316.db2.gz WSGYZHQRGRKZOC-LBPRGKRZSA-N 2 2 254.761 2.443 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CC2)cc1Cl ZINC000077609411 177285317 /nfs/dbraw/zinc/28/53/17/177285317.db2.gz WSGYZHQRGRKZOC-LBPRGKRZSA-N 2 2 254.761 2.443 10 0 CEAELP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261632419 277074409 /nfs/dbraw/zinc/07/44/09/277074409.db2.gz DGJYYIMAYSUUPB-LRDDRELGSA-N 2 2 275.396 2.204 10 0 CEAELP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000261632419 277074412 /nfs/dbraw/zinc/07/44/12/277074412.db2.gz DGJYYIMAYSUUPB-LRDDRELGSA-N 2 2 275.396 2.204 10 0 CEAELP C[C@H]1CCN(c2[nH+]c3ccccc3n2C)[C@@H](C[NH3+])C1 ZINC000235690577 279730712 /nfs/dbraw/zinc/73/07/12/279730712.db2.gz NLFWFLNZJJFGDM-NWDGAFQWSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992139 280378267 /nfs/dbraw/zinc/37/82/67/280378267.db2.gz LHBOQRDCAYMCGU-KGLIPLIRSA-N 2 2 256.434 2.105 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248992139 280378270 /nfs/dbraw/zinc/37/82/70/280378270.db2.gz LHBOQRDCAYMCGU-KGLIPLIRSA-N 2 2 256.434 2.105 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219773 298055120 /nfs/dbraw/zinc/05/51/20/298055120.db2.gz QOPXXDVUHTVEJX-MVWJERBFSA-N 2 2 285.313 2.270 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)C[C@@H]12 ZINC000530219773 298055122 /nfs/dbraw/zinc/05/51/22/298055122.db2.gz QOPXXDVUHTVEJX-MVWJERBFSA-N 2 2 285.313 2.270 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380445 519730079 /nfs/dbraw/zinc/73/00/79/519730079.db2.gz ZMIYKQJRECNBCZ-BETUJISGSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380445 519730081 /nfs/dbraw/zinc/73/00/81/519730081.db2.gz ZMIYKQJRECNBCZ-BETUJISGSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052540787 519744418 /nfs/dbraw/zinc/74/44/18/519744418.db2.gz MTWLTGQGDOUJMH-GJZGRUSLSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052540787 519744419 /nfs/dbraw/zinc/74/44/19/519744419.db2.gz MTWLTGQGDOUJMH-GJZGRUSLSA-N 2 2 256.434 2.367 10 0 CEAELP CC[N@H+](CCOC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052542604 521137314 /nfs/dbraw/zinc/13/73/14/521137314.db2.gz YVIIAUPTNIOCET-UHFFFAOYSA-N 2 2 285.457 2.500 10 0 CEAELP CC[N@@H+](CCOC)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052542604 521137316 /nfs/dbraw/zinc/13/73/16/521137316.db2.gz YVIIAUPTNIOCET-UHFFFAOYSA-N 2 2 285.457 2.500 10 0 CEAELP CCOC(=O)[C@](C)(C[C@H](C)n1cc[nH+]c1C)[NH2+]C(C)C ZINC000068648838 521325174 /nfs/dbraw/zinc/32/51/74/521325174.db2.gz FWUWULFXMQCYIZ-WFASDCNBSA-N 2 2 281.400 2.462 10 0 CEAELP CC[N@H+](Cc1cccnc1Cl)C1CC[NH2+]CC1 ZINC000052709508 521398358 /nfs/dbraw/zinc/39/83/58/521398358.db2.gz NDJAOGFFYMTMBE-UHFFFAOYSA-N 2 2 253.777 2.309 10 0 CEAELP CC[N@@H+](Cc1cccnc1Cl)C1CC[NH2+]CC1 ZINC000052709508 521398367 /nfs/dbraw/zinc/39/83/67/521398367.db2.gz NDJAOGFFYMTMBE-UHFFFAOYSA-N 2 2 253.777 2.309 10 0 CEAELP CCC[N@H+](CCN(C)C)[C@H](C)CC[NH2+]CC(C)C ZINC000052544304 521657368 /nfs/dbraw/zinc/65/73/68/521657368.db2.gz URPYARIKJQUMTK-OAHLLOKOSA-N 2 2 257.466 2.284 10 0 CEAELP CCC[N@@H+](CCN(C)C)[C@H](C)CC[NH2+]CC(C)C ZINC000052544304 521657371 /nfs/dbraw/zinc/65/73/71/521657371.db2.gz URPYARIKJQUMTK-OAHLLOKOSA-N 2 2 257.466 2.284 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417728 519744652 /nfs/dbraw/zinc/74/46/52/519744652.db2.gz JBSRWFGLNMQDKU-AWEZNQCLSA-N 2 2 296.484 2.289 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C[NH+](C)C ZINC000054627376 519910668 /nfs/dbraw/zinc/91/06/68/519910668.db2.gz FZPSHLXKXGGODZ-GOOCMWNKSA-N 3 2 267.461 2.179 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C[NH+](C)C ZINC000054627376 519910671 /nfs/dbraw/zinc/91/06/71/519910671.db2.gz FZPSHLXKXGGODZ-GOOCMWNKSA-N 3 2 267.461 2.179 10 0 CEAELP CC[NH2+]CCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000048784502 519918992 /nfs/dbraw/zinc/91/89/92/519918992.db2.gz KETMYSCIQYPWAB-UHFFFAOYSA-N 2 2 278.396 2.062 10 0 CEAELP CC[NH2+]CCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000048784502 519918993 /nfs/dbraw/zinc/91/89/93/519918993.db2.gz KETMYSCIQYPWAB-UHFFFAOYSA-N 2 2 278.396 2.062 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000053012714 519937336 /nfs/dbraw/zinc/93/73/36/519937336.db2.gz ILGGJNJPBGBIBW-OAHLLOKOSA-N 3 2 255.450 2.040 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000053012714 519937333 /nfs/dbraw/zinc/93/73/33/519937333.db2.gz ILGGJNJPBGBIBW-OAHLLOKOSA-N 3 2 255.450 2.040 10 0 CEAELP CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000052455484 519949334 /nfs/dbraw/zinc/94/93/34/519949334.db2.gz RWBQLAAGPLXJMO-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH2+]Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000052419808 520003552 /nfs/dbraw/zinc/00/35/52/520003552.db2.gz IOXIUCBMWSPEQB-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000052419808 520003557 /nfs/dbraw/zinc/00/35/57/520003557.db2.gz IOXIUCBMWSPEQB-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1C[NH+]1CCOCC1 ZINC000053861181 520122886 /nfs/dbraw/zinc/12/28/86/520122886.db2.gz VVGROBRTHBTRGT-QLFBSQMISA-N 2 2 254.418 2.123 10 0 CEAELP CC[NH2+][C@@](C)(C[C@H](C)n1c(C)[nH+]c2ccccc21)C(N)=O ZINC000068648776 520146972 /nfs/dbraw/zinc/14/69/72/520146972.db2.gz NTRIBPMURVQKRN-ZBEGNZNMSA-N 2 2 288.395 2.149 10 0 CEAELP CC[NH2+][C@H](CC[C@@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069391976 520195443 /nfs/dbraw/zinc/19/54/43/520195443.db2.gz YFOPCKXYFYCWOY-OLZOCXBDSA-N 2 2 251.374 2.280 10 0 CEAELP CCO[C@@H](C[NH3+])CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000062741362 520309077 /nfs/dbraw/zinc/30/90/77/520309077.db2.gz ZJDFCGNNRIRUSI-CYBMUJFWSA-N 2 2 261.369 2.407 10 0 CEAELP CCOC(=O)[C@@H](CCn1cc[nH+]c1C(C)C)[NH2+]C(C)C ZINC000062534502 521062932 /nfs/dbraw/zinc/06/29/32/521062932.db2.gz XMWAISHQQWHQRY-CYBMUJFWSA-N 2 2 281.400 2.326 10 0 CEAELP CC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCCC1 ZINC000050539267 521440339 /nfs/dbraw/zinc/44/03/39/521440339.db2.gz OXNISTUEBYFIEW-UHFFFAOYSA-N 2 2 264.417 2.294 10 0 CEAELP CC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCCCCC1 ZINC000050539267 521440345 /nfs/dbraw/zinc/44/03/45/521440345.db2.gz OXNISTUEBYFIEW-UHFFFAOYSA-N 2 2 264.417 2.294 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000068650315 521553654 /nfs/dbraw/zinc/55/36/54/521553654.db2.gz GYSJHQJRIIKYDH-BLLLJJGKSA-N 2 2 293.411 2.470 10 0 CEAELP C[NH2+]Cc1coc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484224 522148709 /nfs/dbraw/zinc/14/87/09/522148709.db2.gz AJEPTFNZFAYCBX-UHFFFAOYSA-N 3 2 291.439 2.449 10 0 CEAELP C[NH2+][C@@](C)(CCCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912344 522405371 /nfs/dbraw/zinc/40/53/71/522405371.db2.gz UXJOUFXNHMCFPB-KRWDZBQOSA-N 2 2 290.407 2.324 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@](C)([NH3+])C(=O)OC ZINC000068650180 522505154 /nfs/dbraw/zinc/50/51/54/522505154.db2.gz CZMRLHYUDHQVNW-ZBEGNZNMSA-N 2 2 289.379 2.440 10 0 CEAELP C[NH2+][C@](C)(C[C@H](C)n1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000068648755 522525575 /nfs/dbraw/zinc/52/55/75/522525575.db2.gz YIUJVQVLMNOAST-MEDUHNTESA-N 2 2 289.379 2.447 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1OC ZINC000062803202 522646590 /nfs/dbraw/zinc/64/65/90/522646590.db2.gz MNCNGPAISHKISV-CYBMUJFWSA-N 2 2 259.353 2.220 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757410 522648366 /nfs/dbraw/zinc/64/83/66/522648366.db2.gz QHKJBFGIVYYVLU-NFAWXSAZSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757410 522648377 /nfs/dbraw/zinc/64/83/77/522648377.db2.gz QHKJBFGIVYYVLU-NFAWXSAZSA-N 2 2 266.385 2.295 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578492 522706571 /nfs/dbraw/zinc/70/65/71/522706571.db2.gz WQCWJHSVUFUUPH-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP C[N@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502616 523054720 /nfs/dbraw/zinc/05/47/20/523054720.db2.gz DRMOCZKAVYJBBC-RDJZCZTQSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+](C[C@@H]1CCCO1)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502616 523054728 /nfs/dbraw/zinc/05/47/28/523054728.db2.gz DRMOCZKAVYJBBC-RDJZCZTQSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1Cl ZINC000052371965 523171545 /nfs/dbraw/zinc/17/15/45/523171545.db2.gz VGWYLVYASVFQNJ-UHFFFAOYSA-N 2 2 265.744 2.419 10 0 CEAELP C[N@@H+](Cc1cc(C[NH3+])no1)Cc1ccccc1Cl ZINC000052371965 523171552 /nfs/dbraw/zinc/17/15/52/523171552.db2.gz VGWYLVYASVFQNJ-UHFFFAOYSA-N 2 2 265.744 2.419 10 0 CEAELP CC[C@@H]1COCC[N@@H+]1[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555156 523501837 /nfs/dbraw/zinc/50/18/37/523501837.db2.gz BSRALFIMDAOBHX-APIJFGDWSA-N 2 2 254.418 2.249 10 0 CEAELP CC[C@@H]1COCC[N@H+]1[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555156 523501845 /nfs/dbraw/zinc/50/18/45/523501845.db2.gz BSRALFIMDAOBHX-APIJFGDWSA-N 2 2 254.418 2.249 10 0 CEAELP COCC[N@H+](C)[C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464313 523634679 /nfs/dbraw/zinc/63/46/79/523634679.db2.gz XPQCEEBSVCLTGO-ZDUSSCGKSA-N 2 2 264.394 2.479 10 0 CEAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1csc2ccccc12 ZINC000054464313 523634687 /nfs/dbraw/zinc/63/46/87/523634687.db2.gz XPQCEEBSVCLTGO-ZDUSSCGKSA-N 2 2 264.394 2.479 10 0 CEAELP COCC[N@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542342 523780889 /nfs/dbraw/zinc/78/08/89/523780889.db2.gz GHIGDHSIRRBGJO-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542342 523780891 /nfs/dbraw/zinc/78/08/91/523780891.db2.gz GHIGDHSIRRBGJO-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579003 523781290 /nfs/dbraw/zinc/78/12/90/523781290.db2.gz VRNUMNDAWAJJLN-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050579003 523781293 /nfs/dbraw/zinc/78/12/93/523781293.db2.gz VRNUMNDAWAJJLN-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP CCc1cc(N[C@H](CC(C)C)C[NH+](C)C)nc[nH+]1 ZINC000049558092 523825492 /nfs/dbraw/zinc/82/54/92/523825492.db2.gz HDILZUXIJLUQPD-CYBMUJFWSA-N 2 2 250.390 2.427 10 0 CEAELP C[NH+](C)C1CC[NH+](Cc2cc3ccccc3nc2N)CC1 ZINC000050813725 524040477 /nfs/dbraw/zinc/04/04/77/524040477.db2.gz ITSSSGMGOOLGAV-UHFFFAOYSA-N 2 2 284.407 2.343 10 0 CEAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049501066 524333887 /nfs/dbraw/zinc/33/38/87/524333887.db2.gz HTORDJCOWGHQRB-GFCCVEGCSA-N 2 2 282.350 2.419 10 0 CEAELP C[C@H]1CN(CCCn2cc[nH+]c2)[C@H](c2ccccc2)C[NH2+]1 ZINC000068698954 524593838 /nfs/dbraw/zinc/59/38/38/524593838.db2.gz SREUFEQPKWCROS-RDJZCZTQSA-N 2 2 284.407 2.308 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](CCO)Cc2ccccc2)c1 ZINC000050513854 524834984 /nfs/dbraw/zinc/83/49/84/524834984.db2.gz QXCNVJNSNXFXBR-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](CCO)Cc2ccccc2)c1 ZINC000050513854 524834997 /nfs/dbraw/zinc/83/49/97/524834997.db2.gz QXCNVJNSNXFXBR-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc2ncccc2c1 ZINC000062802837 524836693 /nfs/dbraw/zinc/83/66/93/524836693.db2.gz OXXYWOYZYYWCPF-LBPRGKRZSA-N 2 2 266.348 2.369 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757632 525005820 /nfs/dbraw/zinc/00/58/20/525005820.db2.gz AXLVMUURHFPUFY-WQVCFCJDSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757632 525005831 /nfs/dbraw/zinc/00/58/31/525005831.db2.gz AXLVMUURHFPUFY-WQVCFCJDSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCCCC3)c2cc1C ZINC000051085339 525686053 /nfs/dbraw/zinc/68/60/53/525686053.db2.gz ZCUGYCJWJRIGLJ-OAHLLOKOSA-N 2 2 287.407 2.500 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757229 525784776 /nfs/dbraw/zinc/78/47/76/525784776.db2.gz WONMVWRAFZTMHN-GZBFAFLISA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757229 525784783 /nfs/dbraw/zinc/78/47/83/525784783.db2.gz WONMVWRAFZTMHN-GZBFAFLISA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757290 525951856 /nfs/dbraw/zinc/95/18/56/525951856.db2.gz CJSNUSRWYWQETC-CVEARBPZSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757290 525951868 /nfs/dbraw/zinc/95/18/68/525951868.db2.gz CJSNUSRWYWQETC-CVEARBPZSA-N 2 2 262.397 2.232 10 0 CEAELP c1cc2cnccc2c(C[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000061124877 526449470 /nfs/dbraw/zinc/44/94/70/526449470.db2.gz IZYWQQHZXUEGCM-KRWDZBQOSA-N 2 2 267.376 2.419 10 0 CEAELP CC[C@H](C)[NH+]1CCN(c2nc[nH+]c3cc(N)ccc32)CC1 ZINC000087821127 536148653 /nfs/dbraw/zinc/14/86/53/536148653.db2.gz QGKIJCXCWVXOQL-LBPRGKRZSA-N 2 2 285.395 2.133 10 0 CEAELP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1Cl ZINC000384697586 574842187 /nfs/dbraw/zinc/84/21/87/574842187.db2.gz JPOGHMRRDNFDGB-AWEZNQCLSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1Cl ZINC000384697586 574842189 /nfs/dbraw/zinc/84/21/89/574842189.db2.gz JPOGHMRRDNFDGB-AWEZNQCLSA-N 2 2 282.815 2.195 10 0 CEAELP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328563047 627891148 /nfs/dbraw/zinc/89/11/48/627891148.db2.gz ITJCOIGUXUHIKY-LFDYHEEJSA-N 2 2 270.376 2.096 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261925574 629326938 /nfs/dbraw/zinc/32/69/38/629326938.db2.gz KYZPNIYOYVLMCD-HNNXBMFYSA-N 2 2 260.381 2.399 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261925574 629326942 /nfs/dbraw/zinc/32/69/42/629326942.db2.gz KYZPNIYOYVLMCD-HNNXBMFYSA-N 2 2 260.381 2.399 10 0 CEAELP COc1c(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c(C)nn1C ZINC000134108797 652772158 /nfs/dbraw/zinc/77/21/58/652772158.db2.gz IOELKBREURBIBN-CYBMUJFWSA-N 2 2 294.443 2.091 10 0 CEAELP COc1c(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c(C)nn1C ZINC000134108797 652772165 /nfs/dbraw/zinc/77/21/65/652772165.db2.gz IOELKBREURBIBN-CYBMUJFWSA-N 2 2 294.443 2.091 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434498 539163766 /nfs/dbraw/zinc/16/37/66/539163766.db2.gz DASYIUKHBICCAM-HNNXBMFYSA-N 2 2 254.418 2.267 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434498 539163767 /nfs/dbraw/zinc/16/37/67/539163767.db2.gz DASYIUKHBICCAM-HNNXBMFYSA-N 2 2 254.418 2.267 10 0 CEAELP [NH3+]C[C@@H](c1cc(Br)cs1)n1cc[nH+]c1 ZINC000043287863 362142456 /nfs/dbraw/zinc/14/24/56/362142456.db2.gz GZLIZTSQEBIQJL-QMMMGPOBSA-N 2 2 272.171 2.255 10 0 CEAELP CNc1cc(Nc2cccc(C[NH+](C)C)c2)nc[nH+]1 ZINC000113689332 344277340 /nfs/dbraw/zinc/27/73/40/344277340.db2.gz WJHYLESFKMXGEQ-UHFFFAOYSA-N 2 2 257.341 2.324 10 0 CEAELP CNc1cc(Nc2cccc(C[NH+](C)C)c2)[nH+]cn1 ZINC000113689332 344277342 /nfs/dbraw/zinc/27/73/42/344277342.db2.gz WJHYLESFKMXGEQ-UHFFFAOYSA-N 2 2 257.341 2.324 10 0 CEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935516 344528135 /nfs/dbraw/zinc/52/81/35/344528135.db2.gz IOAGBFOCXFRONA-HUUCEWRRSA-N 2 2 290.407 2.178 10 0 CEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C[NH3+] ZINC000204935516 344528136 /nfs/dbraw/zinc/52/81/36/344528136.db2.gz IOAGBFOCXFRONA-HUUCEWRRSA-N 2 2 290.407 2.178 10 0 CEAELP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235680339 344591964 /nfs/dbraw/zinc/59/19/64/344591964.db2.gz OSYQOEHKLMLQCU-FZMZJTMJSA-N 2 2 268.788 2.388 10 0 CEAELP C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235680339 344591968 /nfs/dbraw/zinc/59/19/68/344591968.db2.gz OSYQOEHKLMLQCU-FZMZJTMJSA-N 2 2 268.788 2.388 10 0 CEAELP C[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000300088581 344698364 /nfs/dbraw/zinc/69/83/64/344698364.db2.gz OSYQOEHKLMLQCU-SMDDNHRTSA-N 2 2 268.788 2.388 10 0 CEAELP C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@H]1[NH3+] ZINC000300088581 344698366 /nfs/dbraw/zinc/69/83/66/344698366.db2.gz OSYQOEHKLMLQCU-SMDDNHRTSA-N 2 2 268.788 2.388 10 0 CEAELP COc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1OC ZINC000054765148 362538253 /nfs/dbraw/zinc/53/82/53/362538253.db2.gz ZCSWAZYBJRPQMN-JTQLQIEISA-N 2 2 261.325 2.278 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515100 179086813 /nfs/dbraw/zinc/08/68/13/179086813.db2.gz CCQLONQMAIILKG-ARFHVFGLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085515100 179086815 /nfs/dbraw/zinc/08/68/15/179086815.db2.gz CCQLONQMAIILKG-ARFHVFGLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCOC ZINC000085498218 179083710 /nfs/dbraw/zinc/08/37/10/179083710.db2.gz SMPHGPFWPVZIGK-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCOC ZINC000085498218 179083713 /nfs/dbraw/zinc/08/37/13/179083713.db2.gz SMPHGPFWPVZIGK-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(CC)C[N@@H+]1[C@@H]1CCOC1 ZINC000085496991 179083819 /nfs/dbraw/zinc/08/38/19/179083819.db2.gz WRNWQLKPLIPWPS-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(CC)C[N@H+]1[C@@H]1CCOC1 ZINC000085496991 179083820 /nfs/dbraw/zinc/08/38/20/179083820.db2.gz WRNWQLKPLIPWPS-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085523161 179088822 /nfs/dbraw/zinc/08/88/22/179088822.db2.gz JTSBVZXWLJGFLZ-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085525093 179089103 /nfs/dbraw/zinc/08/91/03/179089103.db2.gz OGBTWKKKDPWDSJ-XOKHGSTOSA-N 2 2 290.455 2.290 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085525090 179089128 /nfs/dbraw/zinc/08/91/28/179089128.db2.gz OGBTWKKKDPWDSJ-JQFCIGGWSA-N 2 2 290.455 2.290 10 0 CEAELP CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085524861 179089410 /nfs/dbraw/zinc/08/94/10/179089410.db2.gz KPDWCPFXHHQXMW-XIRDDKMYSA-N 2 2 290.455 2.372 10 0 CEAELP CC[C@H](C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085524861 179089413 /nfs/dbraw/zinc/08/94/13/179089413.db2.gz KPDWCPFXHHQXMW-XIRDDKMYSA-N 2 2 290.455 2.372 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624685 179106719 /nfs/dbraw/zinc/10/67/19/179106719.db2.gz YFOFXWRBNIHCCA-IHRRRGAJSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCOC1 ZINC000085624685 179106721 /nfs/dbraw/zinc/10/67/21/179106721.db2.gz YFOFXWRBNIHCCA-IHRRRGAJSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623895 179107085 /nfs/dbraw/zinc/10/70/85/179107085.db2.gz DXZYPSLJWLFJNJ-CJNGLKHVSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1CC1CCOCC1 ZINC000085623895 179107087 /nfs/dbraw/zinc/10/70/87/179107087.db2.gz DXZYPSLJWLFJNJ-CJNGLKHVSA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)c1nc2c(n1[C@H](C)Cn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573566 179099200 /nfs/dbraw/zinc/09/92/00/179099200.db2.gz VGJVLMYVLLVEBF-GFCCVEGCSA-N 2 2 273.384 2.110 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609526 179101446 /nfs/dbraw/zinc/10/14/46/179101446.db2.gz KSMKAUGUXJUZKW-HIFRSBDPSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609526 179101448 /nfs/dbraw/zinc/10/14/48/179101448.db2.gz KSMKAUGUXJUZKW-HIFRSBDPSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614197 179103515 /nfs/dbraw/zinc/10/35/15/179103515.db2.gz FGDWUUOTRKRESE-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2)CCC[NH2+]1 ZINC000085614197 179103517 /nfs/dbraw/zinc/10/35/17/179103517.db2.gz FGDWUUOTRKRESE-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616383 179104077 /nfs/dbraw/zinc/10/40/77/179104077.db2.gz HPELTXITXHJFGJ-KFWWJZLASA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616383 179104079 /nfs/dbraw/zinc/10/40/79/179104079.db2.gz HPELTXITXHJFGJ-KFWWJZLASA-N 2 2 252.402 2.018 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000085798109 179172615 /nfs/dbraw/zinc/17/26/15/179172615.db2.gz PUAIQSHZQRPOGN-SNVBAGLBSA-N 2 2 275.165 2.020 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085922946 179201303 /nfs/dbraw/zinc/20/13/03/179201303.db2.gz NLZIMLQZCPPCRE-HNNXBMFYSA-N 2 2 268.445 2.393 10 0 CEAELP CC[C@@H](C)[C@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175570 179245398 /nfs/dbraw/zinc/24/53/98/179245398.db2.gz BQYYNBVYBDMJBW-KFWWJZLASA-N 2 2 278.444 2.265 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CC3(CCCC3)[NH2+]C[C@@H]2C)CC1 ZINC000086259175 179258190 /nfs/dbraw/zinc/25/81/90/179258190.db2.gz RSLCPQBEDIJJCL-HNNXBMFYSA-N 3 2 279.472 2.325 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CC3(CCCC3)[NH2+]C[C@@H]2C)CC1 ZINC000086259175 179258191 /nfs/dbraw/zinc/25/81/91/179258191.db2.gz RSLCPQBEDIJJCL-HNNXBMFYSA-N 3 2 279.472 2.325 10 0 CEAELP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264855 179260966 /nfs/dbraw/zinc/26/09/66/179260966.db2.gz BBSYSHODQRVALB-PBHICJAKSA-N 2 2 284.407 2.129 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1[nH+]ccn1C ZINC000086264798 179261209 /nfs/dbraw/zinc/26/12/09/179261209.db2.gz SZNFMPJFSMRQBV-ZBFHGGJFSA-N 2 2 276.428 2.019 10 0 CEAELP CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292487 179266297 /nfs/dbraw/zinc/26/62/97/179266297.db2.gz IINTYZJAQGLXCT-UONOGXRCSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)(C)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292487 179266300 /nfs/dbraw/zinc/26/63/00/179266300.db2.gz IINTYZJAQGLXCT-UONOGXRCSA-N 2 2 254.418 2.123 10 0 CEAELP C[C@H]1C[N@H+](CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294963 179267224 /nfs/dbraw/zinc/26/72/24/179267224.db2.gz FGMYBTPIUDHWKB-NSHDSACASA-N 2 2 254.324 2.191 10 0 CEAELP C[C@H]1C[N@@H+](CCc2cc(F)cc(F)c2)CCC[NH2+]1 ZINC000086294963 179267227 /nfs/dbraw/zinc/26/72/27/179267227.db2.gz FGMYBTPIUDHWKB-NSHDSACASA-N 2 2 254.324 2.191 10 0 CEAELP Cn1cc[nH+]c1CN1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086297358 179268338 /nfs/dbraw/zinc/26/83/38/179268338.db2.gz YIAWYTFSWOLTEM-OAHLLOKOSA-N 2 2 276.428 2.164 10 0 CEAELP CC[N@@H+]1CCC[C@H](Nc2ccc[nH+]c2N(C)C)CC1 ZINC000086838672 179351093 /nfs/dbraw/zinc/35/10/93/179351093.db2.gz SGUWDJKUSBVQAB-ZDUSSCGKSA-N 2 2 262.401 2.434 10 0 CEAELP CC[N@H+]1CCC[C@H](Nc2ccc[nH+]c2N(C)C)CC1 ZINC000086838672 179351095 /nfs/dbraw/zinc/35/10/95/179351095.db2.gz SGUWDJKUSBVQAB-ZDUSSCGKSA-N 2 2 262.401 2.434 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842876 179353181 /nfs/dbraw/zinc/35/31/81/179353181.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842876 179353183 /nfs/dbraw/zinc/35/31/83/179353183.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 3 2 269.477 2.425 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840515 179353448 /nfs/dbraw/zinc/35/34/48/179353448.db2.gz MWZBLUXOTOQWFV-GJZGRUSLSA-N 3 2 264.417 2.126 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840515 179353449 /nfs/dbraw/zinc/35/34/49/179353449.db2.gz MWZBLUXOTOQWFV-GJZGRUSLSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[N@@H+]1CCO[C@@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063763 179390457 /nfs/dbraw/zinc/39/04/57/179390457.db2.gz KXVZIODVYCDYAB-HNNXBMFYSA-N 2 2 298.471 2.017 10 0 CEAELP CC(C)[N@H+]1CCO[C@@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063763 179390459 /nfs/dbraw/zinc/39/04/59/179390459.db2.gz KXVZIODVYCDYAB-HNNXBMFYSA-N 2 2 298.471 2.017 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2nccc3ccccc32)C1 ZINC000616609402 348533545 /nfs/dbraw/zinc/53/35/45/348533545.db2.gz VMFFTGPIYJCSQB-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2nccc3ccccc32)C1 ZINC000616609402 348533549 /nfs/dbraw/zinc/53/35/49/348533549.db2.gz VMFFTGPIYJCSQB-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616622002 348537679 /nfs/dbraw/zinc/53/76/79/348537679.db2.gz XQYZFGOXWWUUNG-HNNXBMFYSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616622002 348537683 /nfs/dbraw/zinc/53/76/83/348537683.db2.gz XQYZFGOXWWUUNG-HNNXBMFYSA-N 2 2 276.380 2.001 10 0 CEAELP COC(C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1)OC ZINC000090625117 180015768 /nfs/dbraw/zinc/01/57/68/180015768.db2.gz SDTCIXJEMCOFBH-CYBMUJFWSA-N 2 2 286.803 2.108 10 0 CEAELP COC(C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1)OC ZINC000090625117 180015769 /nfs/dbraw/zinc/01/57/69/180015769.db2.gz SDTCIXJEMCOFBH-CYBMUJFWSA-N 2 2 286.803 2.108 10 0 CEAELP c1cn(CCCC[NH2+]C[C@H]2Cc3ccccc3O2)c[nH+]1 ZINC000090874500 180050105 /nfs/dbraw/zinc/05/01/05/180050105.db2.gz NIMWDUSFYQKLSB-OAHLLOKOSA-N 2 2 271.364 2.257 10 0 CEAELP CCO[C@@H]1CCC[N@H+](Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958297 180074513 /nfs/dbraw/zinc/07/45/13/180074513.db2.gz NBPRYEUUUSDPQU-ZYHUDNBSSA-N 2 2 269.414 2.164 10 0 CEAELP CCO[C@@H]1CCC[N@@H+](Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958297 180074514 /nfs/dbraw/zinc/07/45/14/180074514.db2.gz NBPRYEUUUSDPQU-ZYHUDNBSSA-N 2 2 269.414 2.164 10 0 CEAELP Cc1ccccc1C[N@@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321105 180134561 /nfs/dbraw/zinc/13/45/61/180134561.db2.gz MHGYTMFDBOOPFW-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1ccccc1C[N@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321105 180134562 /nfs/dbraw/zinc/13/45/62/180134562.db2.gz MHGYTMFDBOOPFW-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP CCCC1CC[NH+]([C@H](C[NH3+])CC(=O)N(CC)CC)CC1 ZINC000091322872 180134719 /nfs/dbraw/zinc/13/47/19/180134719.db2.gz FACNPTUMJQSIBW-HNNXBMFYSA-N 2 2 283.460 2.084 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N1CCc2ccccc21 ZINC000091276174 180118533 /nfs/dbraw/zinc/11/85/33/180118533.db2.gz JLQNRJWWHGYVGR-OAHLLOKOSA-N 2 2 268.364 2.281 10 0 CEAELP CCC[N@@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275671 180118666 /nfs/dbraw/zinc/11/86/66/180118666.db2.gz OZTOPQXYYVKBPR-DZGCQCFKSA-N 2 2 262.401 2.482 10 0 CEAELP CCC[N@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275671 180118667 /nfs/dbraw/zinc/11/86/67/180118667.db2.gz OZTOPQXYYVKBPR-DZGCQCFKSA-N 2 2 262.401 2.482 10 0 CEAELP CCCN1CCCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275671 180118669 /nfs/dbraw/zinc/11/86/69/180118669.db2.gz OZTOPQXYYVKBPR-DZGCQCFKSA-N 2 2 262.401 2.482 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276442 180119734 /nfs/dbraw/zinc/11/97/34/180119734.db2.gz HJAZKLHRTLXRIP-OAHLLOKOSA-N 2 2 286.379 2.475 10 0 CEAELP C[C@H]([NH2+]C1CC(O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000091428740 180152799 /nfs/dbraw/zinc/15/27/99/180152799.db2.gz VZJDOMNVDLYLFX-ZOODHJKOSA-N 2 2 257.337 2.046 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461679 180161856 /nfs/dbraw/zinc/16/18/56/180161856.db2.gz XGMNXUDPUHVHGG-SPNRQUNLSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461679 180161857 /nfs/dbraw/zinc/16/18/57/180161857.db2.gz XGMNXUDPUHVHGG-SPNRQUNLSA-N 2 2 280.387 2.307 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000091405590 180147723 /nfs/dbraw/zinc/14/77/23/180147723.db2.gz XQTQXGWKLMZOMW-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000091405590 180147725 /nfs/dbraw/zinc/14/77/25/180147725.db2.gz XQTQXGWKLMZOMW-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091564727 180193404 /nfs/dbraw/zinc/19/34/04/180193404.db2.gz ANHPQKPJYVOXFK-CQSZACIVSA-N 3 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091565125 180193749 /nfs/dbraw/zinc/19/37/49/180193749.db2.gz GRNFWBNAIVXHOY-OAHLLOKOSA-N 2 2 290.455 2.449 10 0 CEAELP CCC[NH2+][C@H](c1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571889 180196494 /nfs/dbraw/zinc/19/64/94/180196494.db2.gz MDIDLHZZBFNSCS-HUUCEWRRSA-N 2 2 264.417 2.435 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](NC)c1c[nH+]ccc1N ZINC000091599377 180202072 /nfs/dbraw/zinc/20/20/72/180202072.db2.gz MPVIFXRUOOVBCO-HUUCEWRRSA-N 2 2 264.417 2.435 10 0 CEAELP CCN(CC)[C@](C)(CC)[C@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000091599206 180202156 /nfs/dbraw/zinc/20/21/56/180202156.db2.gz CFMBWRIDKLRAKN-JKSUJKDBSA-N 2 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](Cc1c[nH+]ccc1N)NC ZINC000091599206 180202158 /nfs/dbraw/zinc/20/21/58/180202158.db2.gz CFMBWRIDKLRAKN-JKSUJKDBSA-N 2 2 278.444 2.305 10 0 CEAELP CC[C@](C)([C@H](O)c1c(C)cc[nH+]c1N)[NH+]1CCCC1 ZINC000091602528 180203400 /nfs/dbraw/zinc/20/34/00/180203400.db2.gz OEMNMMPXWVSTMG-UKRRQHHQSA-N 2 2 263.385 2.270 10 0 CEAELP C[NH+](C)C(C)(C)[C@H]([NH3+])Cc1ccn(C2CCCC2)n1 ZINC000091528393 180179382 /nfs/dbraw/zinc/17/93/82/180179382.db2.gz VNUYOADXKLSMHH-CQSZACIVSA-N 2 2 264.417 2.208 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCC1 ZINC000091637934 180212413 /nfs/dbraw/zinc/21/24/13/180212413.db2.gz WCRSZDJATJAWRI-CQSZACIVSA-N 3 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716486 180232558 /nfs/dbraw/zinc/23/25/58/180232558.db2.gz KGBMAWWKRYKAND-AWEZNQCLSA-N 3 2 250.390 2.046 10 0 CEAELP CC(C)c1ccc(C[C@@H]([NH3+])[C@H]2C[N@H+](C)CCO2)cc1 ZINC000091717308 180232884 /nfs/dbraw/zinc/23/28/84/180232884.db2.gz ZWVGJPNXGFSPPR-HZPDHXFCSA-N 2 2 262.397 2.010 10 0 CEAELP CC(C)c1ccc(C[C@@H]([NH3+])[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000091717308 180232885 /nfs/dbraw/zinc/23/28/85/180232885.db2.gz ZWVGJPNXGFSPPR-HZPDHXFCSA-N 2 2 262.397 2.010 10 0 CEAELP C[NH2+][C@H](Cc1cc(Cl)ccc1OC)C[NH+](C)C ZINC000091719633 180234246 /nfs/dbraw/zinc/23/42/46/180234246.db2.gz RWLAHLDIFRLLNX-GFCCVEGCSA-N 2 2 256.777 2.041 10 0 CEAELP CCC[NH2+][C@@H](CCc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000091719948 180234923 /nfs/dbraw/zinc/23/49/23/180234923.db2.gz FTYRSWCMYZSNEC-INIZCTEOSA-N 2 2 276.424 2.484 10 0 CEAELP CCOc1ccc([C@H]([NH2+]C)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721042 180235233 /nfs/dbraw/zinc/23/52/33/180235233.db2.gz CSHHRGVQWKBFKD-OIISXLGYSA-N 2 2 290.407 2.209 10 0 CEAELP CCOc1ccc([C@H]([NH2+]C)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721042 180235234 /nfs/dbraw/zinc/23/52/34/180235234.db2.gz CSHHRGVQWKBFKD-OIISXLGYSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@@H]1CCCc2sc([C@H]3C[N@H+](C)CCO3)nc21 ZINC000091722552 180239856 /nfs/dbraw/zinc/23/98/56/180239856.db2.gz WQDKGVWAOGCJIM-GHMZBOCLSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@@H]1CCCc2sc([C@H]3C[N@@H+](C)CCO3)nc21 ZINC000091722552 180239858 /nfs/dbraw/zinc/23/98/58/180239858.db2.gz WQDKGVWAOGCJIM-GHMZBOCLSA-N 2 2 281.425 2.133 10 0 CEAELP Cc1nc([C@H]2C[N@H+](C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723158 180242178 /nfs/dbraw/zinc/24/21/78/180242178.db2.gz NYKDYMGDIXIZLQ-LLVKDONJSA-N 2 2 283.441 2.343 10 0 CEAELP Cc1nc([C@H]2C[N@@H+](C)CCO2)sc1C[NH2+]C(C)(C)C ZINC000091723158 180242180 /nfs/dbraw/zinc/24/21/80/180242180.db2.gz NYKDYMGDIXIZLQ-LLVKDONJSA-N 2 2 283.441 2.343 10 0 CEAELP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000092339578 180365407 /nfs/dbraw/zinc/36/54/07/180365407.db2.gz XODDMOQIFZTIJI-ZDUSSCGKSA-N 2 2 251.374 2.255 10 0 CEAELP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000092339578 180365408 /nfs/dbraw/zinc/36/54/08/180365408.db2.gz XODDMOQIFZTIJI-ZDUSSCGKSA-N 2 2 251.374 2.255 10 0 CEAELP COc1cccc(C[N@H+](C)Cc2cc(N)cc[nH+]2)c1 ZINC000092418956 180381962 /nfs/dbraw/zinc/38/19/62/180381962.db2.gz OVUALPKXLOVOHX-UHFFFAOYSA-N 2 2 257.337 2.304 10 0 CEAELP COc1cccc(C[N@@H+](C)Cc2cc(N)cc[nH+]2)c1 ZINC000092418956 180381963 /nfs/dbraw/zinc/38/19/63/180381963.db2.gz OVUALPKXLOVOHX-UHFFFAOYSA-N 2 2 257.337 2.304 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([NH2+]CC1CC1)CCC2 ZINC000092384838 180373686 /nfs/dbraw/zinc/37/36/86/180373686.db2.gz UEXGLVIQOZSHJI-INIZCTEOSA-N 2 2 260.381 2.185 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@@H]([NH3+])C3)cc1 ZINC000107827625 186194030 /nfs/dbraw/zinc/19/40/30/186194030.db2.gz NOXGJMYEZJTFPH-ZYHUDNBSSA-N 2 2 257.337 2.393 10 0 CEAELP CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3CC)ccc21 ZINC000109573065 186263383 /nfs/dbraw/zinc/26/33/83/186263383.db2.gz DCIGSJDVAQZXOU-HNNXBMFYSA-N 2 2 284.363 2.428 10 0 CEAELP CCC[NH2+][C@H]1C(=O)Nc2cc(-n3cc[nH+]c3CC)ccc21 ZINC000109573062 186263728 /nfs/dbraw/zinc/26/37/28/186263728.db2.gz DCIGSJDVAQZXOU-OAHLLOKOSA-N 2 2 284.363 2.428 10 0 CEAELP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3c[nH+]c(C)c3C)ccc21 ZINC000109573174 186263847 /nfs/dbraw/zinc/26/38/47/186263847.db2.gz HPOQEHXOVKVRAN-AWEZNQCLSA-N 2 2 270.336 2.092 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](CCC(C)C)C1CC1 ZINC000109623872 186268740 /nfs/dbraw/zinc/26/87/40/186268740.db2.gz SFCBWSFGRSGXNE-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](CCC(C)C)C1CC1 ZINC000109623872 186268742 /nfs/dbraw/zinc/26/87/42/186268742.db2.gz SFCBWSFGRSGXNE-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000110931008 186333305 /nfs/dbraw/zinc/33/33/05/186333305.db2.gz ABDSFJXNNLFNNU-ZDUSSCGKSA-N 2 2 278.787 2.172 10 0 CEAELP CC[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110942591 186334616 /nfs/dbraw/zinc/33/46/16/186334616.db2.gz OSFUNRZWHSILBQ-QGZVFWFLSA-N 2 2 284.407 2.446 10 0 CEAELP CC[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110942591 186334617 /nfs/dbraw/zinc/33/46/17/186334617.db2.gz OSFUNRZWHSILBQ-QGZVFWFLSA-N 2 2 284.407 2.446 10 0 CEAELP CCC[N@H+](C1CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110938252 186335027 /nfs/dbraw/zinc/33/50/27/186335027.db2.gz SEBVMBPDIPBCKH-OAHLLOKOSA-N 2 2 282.428 2.136 10 0 CEAELP CCC[N@@H+](C1CCC2(CC1)OCCO2)[C@@H]1CCC[NH2+]C1 ZINC000110938252 186335029 /nfs/dbraw/zinc/33/50/29/186335029.db2.gz SEBVMBPDIPBCKH-OAHLLOKOSA-N 2 2 282.428 2.136 10 0 CEAELP CC[N@H+](CCc1scnc1C)[C@@H]1CCC[NH2+]C1 ZINC000110943804 186335962 /nfs/dbraw/zinc/33/59/62/186335962.db2.gz NBUGFPFYIFZVHM-GFCCVEGCSA-N 2 2 253.415 2.068 10 0 CEAELP CC[N@@H+](CCc1scnc1C)[C@@H]1CCC[NH2+]C1 ZINC000110943804 186335964 /nfs/dbraw/zinc/33/59/64/186335964.db2.gz NBUGFPFYIFZVHM-GFCCVEGCSA-N 2 2 253.415 2.068 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977544 186339214 /nfs/dbraw/zinc/33/92/14/186339214.db2.gz NGRPNKRCDZTRHT-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977544 186339216 /nfs/dbraw/zinc/33/92/16/186339216.db2.gz NGRPNKRCDZTRHT-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCN1C ZINC000110751624 186319709 /nfs/dbraw/zinc/31/97/09/186319709.db2.gz ZJEVKSHXKWJVJX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCN1C ZINC000110751624 186319711 /nfs/dbraw/zinc/31/97/11/186319711.db2.gz ZJEVKSHXKWJVJX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000111116603 186353359 /nfs/dbraw/zinc/35/33/59/186353359.db2.gz RIJZIYZJCXFNKP-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1cccc(C)c1 ZINC000111116603 186353360 /nfs/dbraw/zinc/35/33/60/186353360.db2.gz RIJZIYZJCXFNKP-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP CC[NH2+]C[C@]1(C[NH+]2Cc3ccccc3C2)CCCOC1 ZINC000111325990 186398556 /nfs/dbraw/zinc/39/85/56/186398556.db2.gz XGNLHSIBTJPFIK-KRWDZBQOSA-N 2 2 274.408 2.409 10 0 CEAELP CC[NH2+]C[C@@]1(C[N@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325109 186398719 /nfs/dbraw/zinc/39/87/19/186398719.db2.gz BOPQOILSBCBTCE-MRXNPFEDSA-N 2 2 280.412 2.426 10 0 CEAELP CC[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325109 186398720 /nfs/dbraw/zinc/39/87/20/186398720.db2.gz BOPQOILSBCBTCE-MRXNPFEDSA-N 2 2 280.412 2.426 10 0 CEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)COC2 ZINC000111305762 186393573 /nfs/dbraw/zinc/39/35/73/186393573.db2.gz XHDVHWYJFRQGPD-CQSZACIVSA-N 2 2 257.337 2.333 10 0 CEAELP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000070142870 363035902 /nfs/dbraw/zinc/03/59/02/363035902.db2.gz YXIKQLHMFPKEEU-SNVBAGLBSA-N 2 2 264.398 2.398 10 0 CEAELP CCc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456498 363084706 /nfs/dbraw/zinc/08/47/06/363084706.db2.gz FJAZQGGZBDVIKZ-AWEZNQCLSA-N 2 2 283.379 2.265 10 0 CEAELP CO[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630359567 351710835 /nfs/dbraw/zinc/71/08/35/351710835.db2.gz GLOKWTGNDGRQOQ-GJZGRUSLSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)[C@](C)(C[NH3+])C1 ZINC000630359567 351710836 /nfs/dbraw/zinc/71/08/36/351710836.db2.gz GLOKWTGNDGRQOQ-GJZGRUSLSA-N 2 2 298.814 2.157 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CCCCC[C@H]([NH3+])C1 ZINC000630550349 351781289 /nfs/dbraw/zinc/78/12/89/351781289.db2.gz TYEPRUCAAPGZQD-LBPRGKRZSA-N 2 2 258.369 2.281 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000122076653 187014171 /nfs/dbraw/zinc/01/41/71/187014171.db2.gz OUSUWCFAHXBRHY-CYBMUJFWSA-N 2 2 276.384 2.338 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000122076653 187014172 /nfs/dbraw/zinc/01/41/72/187014172.db2.gz OUSUWCFAHXBRHY-CYBMUJFWSA-N 2 2 276.384 2.338 10 0 CEAELP CC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)C1 ZINC000389316103 540351211 /nfs/dbraw/zinc/35/12/11/540351211.db2.gz FUGPIEMLUAURRC-SNVBAGLBSA-N 2 2 299.216 2.362 10 0 CEAELP CC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)C1 ZINC000389316103 540351215 /nfs/dbraw/zinc/35/12/15/540351215.db2.gz FUGPIEMLUAURRC-SNVBAGLBSA-N 2 2 299.216 2.362 10 0 CEAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685953137 540648435 /nfs/dbraw/zinc/64/84/35/540648435.db2.gz GKZLAAWRCOTEIC-CYBMUJFWSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685953137 540648436 /nfs/dbraw/zinc/64/84/36/540648436.db2.gz GKZLAAWRCOTEIC-CYBMUJFWSA-N 2 2 297.443 2.199 10 0 CEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133672829 296001061 /nfs/dbraw/zinc/00/10/61/296001061.db2.gz OJGSVTKDCIJMKR-MMLUDYIGSA-N 2 2 278.440 2.168 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccn1C ZINC000180132643 189238561 /nfs/dbraw/zinc/23/85/61/189238561.db2.gz UJEWLRZZBNCHRT-OAHLLOKOSA-N 2 2 258.369 2.195 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccn1C ZINC000180132643 189238562 /nfs/dbraw/zinc/23/85/62/189238562.db2.gz UJEWLRZZBNCHRT-OAHLLOKOSA-N 2 2 258.369 2.195 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182761436 189333650 /nfs/dbraw/zinc/33/36/50/189333650.db2.gz UAYRVRJTUDFDKJ-OAHLLOKOSA-N 3 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182761436 189333651 /nfs/dbraw/zinc/33/36/51/189333651.db2.gz UAYRVRJTUDFDKJ-OAHLLOKOSA-N 3 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000182761436 189333652 /nfs/dbraw/zinc/33/36/52/189333652.db2.gz UAYRVRJTUDFDKJ-OAHLLOKOSA-N 2 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000182761436 189333653 /nfs/dbraw/zinc/33/36/53/189333653.db2.gz UAYRVRJTUDFDKJ-OAHLLOKOSA-N 2 2 287.411 2.369 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000116399426 365054218 /nfs/dbraw/zinc/05/42/18/365054218.db2.gz WOFSURYALIQSOD-CYBMUJFWSA-N 2 2 279.384 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000116399426 365054225 /nfs/dbraw/zinc/05/42/25/365054225.db2.gz WOFSURYALIQSOD-CYBMUJFWSA-N 2 2 279.384 2.036 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[C@@H](C)C2)nc[nH+]1 ZINC000246118640 370912131 /nfs/dbraw/zinc/91/21/31/370912131.db2.gz IXBCOTXSCQUVTE-HZSPNIEDSA-N 2 2 289.427 2.265 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)[nH+]c1 ZINC000189367350 369506152 /nfs/dbraw/zinc/50/61/52/369506152.db2.gz MOZRBIJPLIFISN-CABCVRRESA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)[nH+]c1 ZINC000189367350 369506156 /nfs/dbraw/zinc/50/61/56/369506156.db2.gz MOZRBIJPLIFISN-CABCVRRESA-N 2 2 275.396 2.385 10 0 CEAELP CCC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000190221969 369605249 /nfs/dbraw/zinc/60/52/49/369605249.db2.gz BUQPWEYYGFTIBL-ZDUSSCGKSA-N 2 2 263.385 2.452 10 0 CEAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]cc2C)nc[nH+]1 ZINC000191980584 369759472 /nfs/dbraw/zinc/75/94/72/369759472.db2.gz XKUGKLVKVVBHES-ZDUSSCGKSA-N 2 2 298.394 2.303 10 0 CEAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]cc2C)[nH+]cn1 ZINC000191980584 369759482 /nfs/dbraw/zinc/75/94/82/369759482.db2.gz XKUGKLVKVVBHES-ZDUSSCGKSA-N 2 2 298.394 2.303 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231668362 370485270 /nfs/dbraw/zinc/48/52/70/370485270.db2.gz MRUQZJDVXLJGEC-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231668362 370485277 /nfs/dbraw/zinc/48/52/77/370485277.db2.gz MRUQZJDVXLJGEC-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP C[N@H+](Cc1nc(-c2ccsc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231668480 370486033 /nfs/dbraw/zinc/48/60/33/370486033.db2.gz FUGBYHKUCCVDCM-GFCCVEGCSA-N 2 2 292.408 2.372 10 0 CEAELP C[N@@H+](Cc1nc(-c2ccsc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231668480 370486039 /nfs/dbraw/zinc/48/60/39/370486039.db2.gz FUGBYHKUCCVDCM-GFCCVEGCSA-N 2 2 292.408 2.372 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231668858 370486110 /nfs/dbraw/zinc/48/61/10/370486110.db2.gz BEJDDMUUXKUUBT-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231668858 370486116 /nfs/dbraw/zinc/48/61/16/370486116.db2.gz BEJDDMUUXKUUBT-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP CCc1noc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246932021 371033132 /nfs/dbraw/zinc/03/31/32/371033132.db2.gz HCAJRUOZRNLYBQ-YPMHNXCESA-N 2 2 289.383 2.363 10 0 CEAELP CCc1noc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000246932021 371033136 /nfs/dbraw/zinc/03/31/36/371033136.db2.gz HCAJRUOZRNLYBQ-YPMHNXCESA-N 2 2 289.383 2.363 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247136466 371069434 /nfs/dbraw/zinc/06/94/34/371069434.db2.gz VYPXURNRGMILLR-RBSFLKMASA-N 2 2 255.450 2.035 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247136466 371069438 /nfs/dbraw/zinc/06/94/38/371069438.db2.gz VYPXURNRGMILLR-RBSFLKMASA-N 2 2 255.450 2.035 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647363 371388999 /nfs/dbraw/zinc/38/89/99/371388999.db2.gz VRTDNNMRSZEZRJ-XCBNKYQSSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647363 371389004 /nfs/dbraw/zinc/38/90/04/371389004.db2.gz VRTDNNMRSZEZRJ-XCBNKYQSSA-N 2 2 275.215 2.462 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253092303 371495306 /nfs/dbraw/zinc/49/53/06/371495306.db2.gz KRARFGZRMYXSKH-ARFHVFGLSA-N 2 2 277.412 2.207 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253092303 371495317 /nfs/dbraw/zinc/49/53/17/371495317.db2.gz KRARFGZRMYXSKH-ARFHVFGLSA-N 2 2 277.412 2.207 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000261601784 371673283 /nfs/dbraw/zinc/67/32/83/371673283.db2.gz BTJFFPKXIZKUDZ-HYVNUMGLSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000261601784 371673287 /nfs/dbraw/zinc/67/32/87/371673287.db2.gz BTJFFPKXIZKUDZ-HYVNUMGLSA-N 3 2 282.391 2.041 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@H]1[NH3+] ZINC000262008060 371797261 /nfs/dbraw/zinc/79/72/61/371797261.db2.gz MBZVZABWUSOAFG-SWLSCSKDSA-N 2 2 260.381 2.254 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)C[C@H]1[NH3+] ZINC000262008060 371797265 /nfs/dbraw/zinc/79/72/65/371797265.db2.gz MBZVZABWUSOAFG-SWLSCSKDSA-N 2 2 260.381 2.254 10 0 CEAELP C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000262032264 371804864 /nfs/dbraw/zinc/80/48/64/371804864.db2.gz XIRRVMGXAHZFEF-JTQLQIEISA-N 2 2 276.306 2.002 10 0 CEAELP C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CCC[NH2+]CC1 ZINC000262032264 371804873 /nfs/dbraw/zinc/80/48/73/371804873.db2.gz XIRRVMGXAHZFEF-JTQLQIEISA-N 2 2 276.306 2.002 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1[NH3+] ZINC000262034389 371806176 /nfs/dbraw/zinc/80/61/76/371806176.db2.gz OJUGRKMTGCNJJI-PBHICJAKSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1[NH3+] ZINC000262034389 371806185 /nfs/dbraw/zinc/80/61/85/371806185.db2.gz OJUGRKMTGCNJJI-PBHICJAKSA-N 2 2 297.402 2.440 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)no1 ZINC000262206624 371837513 /nfs/dbraw/zinc/83/75/13/371837513.db2.gz LAUSYKCPQUNZQU-AWEZNQCLSA-N 2 2 286.379 2.126 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]2CCc2ccccc2)no1 ZINC000262206624 371837515 /nfs/dbraw/zinc/83/75/15/371837515.db2.gz LAUSYKCPQUNZQU-AWEZNQCLSA-N 2 2 286.379 2.126 10 0 CEAELP CCc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC000272913780 373708556 /nfs/dbraw/zinc/70/85/56/373708556.db2.gz RTKCIMNZKUDLQW-FZMZJTMJSA-N 2 2 262.401 2.488 10 0 CEAELP CCc1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(C)[nH+]1 ZINC000272913780 373708562 /nfs/dbraw/zinc/70/85/62/373708562.db2.gz RTKCIMNZKUDLQW-FZMZJTMJSA-N 2 2 262.401 2.488 10 0 CEAELP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000389444848 375303027 /nfs/dbraw/zinc/30/30/27/375303027.db2.gz OUJFXBTZIJGOSP-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000389444848 375303034 /nfs/dbraw/zinc/30/30/34/375303034.db2.gz OUJFXBTZIJGOSP-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000389438649 375304267 /nfs/dbraw/zinc/30/42/67/375304267.db2.gz NGDDXNRNYXXHDA-RBSFLKMASA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCCC2 ZINC000389438649 375304271 /nfs/dbraw/zinc/30/42/71/375304271.db2.gz NGDDXNRNYXXHDA-RBSFLKMASA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCC2 ZINC000389550347 375305798 /nfs/dbraw/zinc/30/57/98/375305798.db2.gz OIYBTXOOEFZQKU-MELADBBJSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000389550347 375305805 /nfs/dbraw/zinc/30/58/05/375305805.db2.gz OIYBTXOOEFZQKU-MELADBBJSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCC2 ZINC000389550345 375306624 /nfs/dbraw/zinc/30/66/24/375306624.db2.gz OIYBTXOOEFZQKU-BFHYXJOUSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000389550345 375306634 /nfs/dbraw/zinc/30/66/34/375306634.db2.gz OIYBTXOOEFZQKU-BFHYXJOUSA-N 2 2 252.402 2.018 10 0 CEAELP Cc1ccc(OCCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000300092888 379152455 /nfs/dbraw/zinc/15/24/55/379152455.db2.gz VNXSIQUOINEXSP-GOEBONIOSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(OCCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1C ZINC000300092888 379152462 /nfs/dbraw/zinc/15/24/62/379152462.db2.gz VNXSIQUOINEXSP-GOEBONIOSA-N 2 2 262.397 2.351 10 0 CEAELP CCCn1cc[nH+]c1C[C@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000094163516 184758544 /nfs/dbraw/zinc/75/85/44/184758544.db2.gz BBPQTIXDOAOEBU-AWEZNQCLSA-N 2 2 278.444 2.298 10 0 CEAELP C[NH2+][C@@H]1[C@@H](CN(C)Cc2[nH+]ccn2C)CCCC1(C)C ZINC000094288371 184775693 /nfs/dbraw/zinc/77/56/93/184775693.db2.gz BJYWSFBNABWDAN-UKRRQHHQSA-N 2 2 278.444 2.266 10 0 CEAELP CCCCCC[C@H]([NH2+]CCC)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510540 184812346 /nfs/dbraw/zinc/81/23/46/184812346.db2.gz FODCYKXMUFHWBK-HOTGVXAUSA-N 2 2 267.461 2.325 10 0 CEAELP CCCn1c[nH+]cc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000090236431 135063107 /nfs/dbraw/zinc/06/31/07/135063107.db2.gz MGEJVSTXKYCBLA-AWEZNQCLSA-N 2 2 270.380 2.183 10 0 CEAELP [NH3+][C@H]1CCC[C@@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000093210404 135079662 /nfs/dbraw/zinc/07/96/62/135079662.db2.gz XKZSHOPMMDWLLH-DZGCQCFKSA-N 2 2 275.396 2.205 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC000386522853 400527060 /nfs/dbraw/zinc/52/70/60/400527060.db2.gz NXSHPTYFDOEOHT-OAHLLOKOSA-N 2 2 256.434 2.369 10 0 CEAELP OCC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000227573948 153346603 /nfs/dbraw/zinc/34/66/03/153346603.db2.gz JDUJYKZGIPGTBG-OAHLLOKOSA-N 2 2 271.364 2.077 10 0 CEAELP OCC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000227573948 153346608 /nfs/dbraw/zinc/34/66/08/153346608.db2.gz JDUJYKZGIPGTBG-OAHLLOKOSA-N 2 2 271.364 2.077 10 0 CEAELP CCCCN(CCCC)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000020484851 171224477 /nfs/dbraw/zinc/22/44/77/171224477.db2.gz RKJNGJCLCXPLQN-MRXNPFEDSA-N 2 2 267.461 2.312 10 0 CEAELP CCN(C1CCCCC1)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000035221572 172063701 /nfs/dbraw/zinc/06/37/01/172063701.db2.gz UQOZJXOHNPMCQX-INIZCTEOSA-N 2 2 265.445 2.064 10 0 CEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2cc(F)ccc2s1 ZINC000037205188 173027188 /nfs/dbraw/zinc/02/71/88/173027188.db2.gz AWXZCLHYTYQLMX-VIFPVBQESA-N 2 2 262.313 2.401 10 0 CEAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc2cc(F)ccc2s1 ZINC000037205188 173027189 /nfs/dbraw/zinc/02/71/89/173027189.db2.gz AWXZCLHYTYQLMX-VIFPVBQESA-N 2 2 262.313 2.401 10 0 CEAELP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000038046861 174055736 /nfs/dbraw/zinc/05/57/36/174055736.db2.gz FLKOHKXSNRDBRV-AWEZNQCLSA-N 2 2 286.423 2.488 10 0 CEAELP CCCn1c2ccccc2nc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000038046861 174055740 /nfs/dbraw/zinc/05/57/40/174055740.db2.gz FLKOHKXSNRDBRV-AWEZNQCLSA-N 2 2 286.423 2.488 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1Br ZINC000038052082 174063618 /nfs/dbraw/zinc/06/36/18/174063618.db2.gz WEKAOUUYDAETJH-SNVBAGLBSA-N 2 2 273.174 2.019 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502943 174299386 /nfs/dbraw/zinc/29/93/86/174299386.db2.gz JWFMGZXZZKVLKZ-ZDUSSCGKSA-N 2 2 293.377 2.087 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000040502943 174299388 /nfs/dbraw/zinc/29/93/88/174299388.db2.gz JWFMGZXZZKVLKZ-ZDUSSCGKSA-N 2 2 293.377 2.087 10 0 CEAELP Cc1ncsc1[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639358 174363609 /nfs/dbraw/zinc/36/36/09/174363609.db2.gz BLTPCDQEPMUDED-SECBINFHSA-N 2 2 250.371 2.078 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000040689101 174375738 /nfs/dbraw/zinc/37/57/38/174375738.db2.gz MJHMZAAFAVWCIK-INIZCTEOSA-N 2 2 262.397 2.496 10 0 CEAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000040769270 174399145 /nfs/dbraw/zinc/39/91/45/174399145.db2.gz DFJFGEMBUMHTLT-PMRDEQMMSA-N 3 2 279.472 2.037 10 0 CEAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[NH+](C)C1 ZINC000040769270 174399147 /nfs/dbraw/zinc/39/91/47/174399147.db2.gz DFJFGEMBUMHTLT-PMRDEQMMSA-N 3 2 279.472 2.037 10 0 CEAELP CC(C)[NH+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000040769270 174399148 /nfs/dbraw/zinc/39/91/48/174399148.db2.gz DFJFGEMBUMHTLT-PMRDEQMMSA-N 3 2 279.472 2.037 10 0 CEAELP CC(C)[NH+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000040769270 174399150 /nfs/dbraw/zinc/39/91/50/174399150.db2.gz DFJFGEMBUMHTLT-PMRDEQMMSA-N 3 2 279.472 2.037 10 0 CEAELP Cc1c[nH]c(CN[C@@H](C[NH+](C)C)c2ccccc2)[nH+]1 ZINC000657298020 414841487 /nfs/dbraw/zinc/84/14/87/414841487.db2.gz SEIBZRSDVLDRRO-AWEZNQCLSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c(C)[nH+]1 ZINC000653446196 414997402 /nfs/dbraw/zinc/99/74/02/414997402.db2.gz TXGOBOGGRCRABR-NXEZZACHSA-N 2 2 287.285 2.035 10 0 CEAELP C[C@@H]1C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C[C@H](C)O1 ZINC000657458920 414948775 /nfs/dbraw/zinc/94/87/75/414948775.db2.gz RBLMSMIEJYYTCD-CLLJXQQHSA-N 2 2 263.385 2.123 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335487 175011230 /nfs/dbraw/zinc/01/12/30/175011230.db2.gz DOOSJNDQYWAEFC-RISCZKNCSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043347944 175017695 /nfs/dbraw/zinc/01/76/95/175017695.db2.gz JNTTZIKYCURXJZ-IAGOWNOFSA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043347572 175017741 /nfs/dbraw/zinc/01/77/41/175017741.db2.gz AZGSIRXMPYTSDP-XHSDSOJGSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043347572 175017743 /nfs/dbraw/zinc/01/77/43/175017743.db2.gz AZGSIRXMPYTSDP-XHSDSOJGSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043353069 175020437 /nfs/dbraw/zinc/02/04/37/175020437.db2.gz OPGVBXBOUOTWIU-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043353069 175020438 /nfs/dbraw/zinc/02/04/38/175020438.db2.gz OPGVBXBOUOTWIU-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043354172 175021267 /nfs/dbraw/zinc/02/12/67/175021267.db2.gz AMEGNUVCBJWMAO-XHSDSOJGSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043354172 175021268 /nfs/dbraw/zinc/02/12/68/175021268.db2.gz AMEGNUVCBJWMAO-XHSDSOJGSA-N 2 2 277.412 2.361 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364572 175025815 /nfs/dbraw/zinc/02/58/15/175025815.db2.gz RFKZRUJECSQEGH-IUODEOHRSA-N 2 2 266.385 2.477 10 0 CEAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000043394361 175035133 /nfs/dbraw/zinc/03/51/33/175035133.db2.gz USGXGKFAPANIFM-JKSUJKDBSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cc(C)cc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000043394361 175035135 /nfs/dbraw/zinc/03/51/35/175035135.db2.gz USGXGKFAPANIFM-JKSUJKDBSA-N 2 2 262.397 2.414 10 0 CEAELP C[NH+]1CCC([NH2+]Cc2ccc(O)c(Cl)c2)CC1 ZINC000043477555 175054443 /nfs/dbraw/zinc/05/44/43/175054443.db2.gz WABPKVFHYZPPOL-UHFFFAOYSA-N 2 2 254.761 2.229 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888213 175117872 /nfs/dbraw/zinc/11/78/72/175117872.db2.gz HJFQQAVGELMTDO-HUUCEWRRSA-N 2 2 284.444 2.238 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888213 175117873 /nfs/dbraw/zinc/11/78/73/175117873.db2.gz HJFQQAVGELMTDO-HUUCEWRRSA-N 2 2 284.444 2.238 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966367 175128118 /nfs/dbraw/zinc/12/81/18/175128118.db2.gz RKDHHLAGFRFJOX-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966367 175128119 /nfs/dbraw/zinc/12/81/19/175128119.db2.gz RKDHHLAGFRFJOX-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H](CC)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970721 175131756 /nfs/dbraw/zinc/13/17/56/175131756.db2.gz FYIPQFHUOHKVPL-DZGCQCFKSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH2+][C@@H](C)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970823 175131939 /nfs/dbraw/zinc/13/19/39/175131939.db2.gz LKKMXHZRHDQXET-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP CO[C@H]1C[NH2+][C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089768 175304856 /nfs/dbraw/zinc/30/48/56/175304856.db2.gz RLPABYQAXXWJLH-RBSFLKMASA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@H]1C[NH2+][C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089768 175304858 /nfs/dbraw/zinc/30/48/58/175304858.db2.gz RLPABYQAXXWJLH-RBSFLKMASA-N 2 2 252.402 2.018 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](Cn2c(N)[nH+]c3c2cccc3F)C1 ZINC000045136024 175313438 /nfs/dbraw/zinc/31/34/38/175313438.db2.gz JLCQRDZPBNLERP-LLVKDONJSA-N 2 2 276.359 2.488 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](Cn2c(N)[nH+]c3c2cccc3F)C1 ZINC000045136024 175313439 /nfs/dbraw/zinc/31/34/39/175313439.db2.gz JLCQRDZPBNLERP-LLVKDONJSA-N 2 2 276.359 2.488 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380913 175370197 /nfs/dbraw/zinc/37/01/97/175370197.db2.gz YTHSCVUAWBFXCG-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380913 175370198 /nfs/dbraw/zinc/37/01/98/175370198.db2.gz YTHSCVUAWBFXCG-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CC(=O)c1ccccc1OCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071189850 176065989 /nfs/dbraw/zinc/06/59/89/176065989.db2.gz OMJWUYGOVOTFEW-HNNXBMFYSA-N 2 2 290.407 2.152 10 0 CEAELP CC(=O)c1ccccc1OCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071189850 176065990 /nfs/dbraw/zinc/06/59/90/176065990.db2.gz OMJWUYGOVOTFEW-HNNXBMFYSA-N 2 2 290.407 2.152 10 0 CEAELP CC(=O)c1ccccc1OCC[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071189850 176065991 /nfs/dbraw/zinc/06/59/91/176065991.db2.gz OMJWUYGOVOTFEW-HNNXBMFYSA-N 2 2 290.407 2.152 10 0 CEAELP CC(=O)c1ccccc1OCC[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189850 176065992 /nfs/dbraw/zinc/06/59/92/176065992.db2.gz OMJWUYGOVOTFEW-HNNXBMFYSA-N 2 2 290.407 2.152 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CCCC1 ZINC000071191439 176069471 /nfs/dbraw/zinc/06/94/71/176069471.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CCCC1 ZINC000071191439 176069473 /nfs/dbraw/zinc/06/94/73/176069473.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191439 176069474 /nfs/dbraw/zinc/06/94/74/176069474.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191439 176069475 /nfs/dbraw/zinc/06/94/75/176069475.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP C[N@H+](CCC[NH2+]C1CCCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000071192203 176073181 /nfs/dbraw/zinc/07/31/81/176073181.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 3 2 267.461 2.182 10 0 CEAELP C[N@@H+](CCC[NH2+]C1CCCCC1)C[C@@H]1CC[NH+](C)C1 ZINC000071192203 176073182 /nfs/dbraw/zinc/07/31/82/176073182.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH+](CCC[NH2+]C1CCCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192203 176073184 /nfs/dbraw/zinc/07/31/84/176073184.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH+](CCC[NH2+]C1CCCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192203 176073185 /nfs/dbraw/zinc/07/31/85/176073185.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 3 2 267.461 2.182 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192089 176073542 /nfs/dbraw/zinc/07/35/42/176073542.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192089 176073543 /nfs/dbraw/zinc/07/35/43/176073543.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071192089 176073545 /nfs/dbraw/zinc/07/35/45/176073545.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192089 176073547 /nfs/dbraw/zinc/07/35/47/176073547.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP C[N@H+](Cc1cccnc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267675 176101068 /nfs/dbraw/zinc/10/10/68/176101068.db2.gz HCJLXWYEISDQGL-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267675 176101070 /nfs/dbraw/zinc/10/10/70/176101070.db2.gz HCJLXWYEISDQGL-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@H](C(C)(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071347905 176132765 /nfs/dbraw/zinc/13/27/65/176132765.db2.gz QUBKVHSDLGBVQL-CVEARBPZSA-N 2 2 290.455 2.290 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071359216 176137640 /nfs/dbraw/zinc/13/76/40/176137640.db2.gz UXKWAOURHMJUKY-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000071359216 176137642 /nfs/dbraw/zinc/13/76/42/176137642.db2.gz UXKWAOURHMJUKY-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2cnn3ccccc23)c[nH+]1 ZINC000071373014 176138540 /nfs/dbraw/zinc/13/85/40/176138540.db2.gz AHFZLFMBWCIOSM-GOEBONIOSA-N 2 2 281.363 2.414 10 0 CEAELP [NH3+][C@@H](CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000071401978 176153873 /nfs/dbraw/zinc/15/38/73/176153873.db2.gz WFZDMERMEUVDPR-RDJZCZTQSA-N 3 2 273.424 2.293 10 0 CEAELP [NH3+][C@@H](CCC[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000071401978 176153874 /nfs/dbraw/zinc/15/38/74/176153874.db2.gz WFZDMERMEUVDPR-RDJZCZTQSA-N 3 2 273.424 2.293 10 0 CEAELP Fc1cccc(Br)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398367432 270357999 /nfs/dbraw/zinc/35/79/99/270357999.db2.gz PSBWJNXQJDGDAY-VIFPVBQESA-N 2 2 287.176 2.287 10 0 CEAELP CC(C)n1cc[nH+]c1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000335301431 276086230 /nfs/dbraw/zinc/08/62/30/276086230.db2.gz NAAGAQGTVONOEL-CQSZACIVSA-N 2 2 270.380 2.354 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1[nH+]ccc(OC)c1OC ZINC000190624896 276377526 /nfs/dbraw/zinc/37/75/26/276377526.db2.gz AAZFEYGNRUEUNF-ZDUSSCGKSA-N 2 2 293.411 2.015 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1[nH+]ccc(OC)c1OC ZINC000190624896 276377528 /nfs/dbraw/zinc/37/75/28/276377528.db2.gz AAZFEYGNRUEUNF-ZDUSSCGKSA-N 2 2 293.411 2.015 10 0 CEAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000562959199 298725885 /nfs/dbraw/zinc/72/58/85/298725885.db2.gz CNUZTRWATRFGPU-HUUCEWRRSA-N 3 2 267.461 2.229 10 0 CEAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000516173841 313083173 /nfs/dbraw/zinc/08/31/73/313083173.db2.gz DJIALPWICLANIG-TWMKSMIVSA-N 3 2 281.488 2.475 10 0 CEAELP Brc1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054763389 518212448 /nfs/dbraw/zinc/21/24/48/518212448.db2.gz DUMHUZPRYFEAGM-UHFFFAOYSA-N 2 2 266.142 2.462 10 0 CEAELP CC(C)(C)[C@H]1C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000068696003 518981256 /nfs/dbraw/zinc/98/12/56/518981256.db2.gz FKXMGDIKGTZYNQ-CQSZACIVSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)c1[nH+]c2cc(N)ccc2n1CC[NH+]1CCOCC1 ZINC000052842721 519869316 /nfs/dbraw/zinc/86/93/16/519869316.db2.gz DJTBLUCIUYLSCF-UHFFFAOYSA-N 2 2 288.395 2.074 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000054602108 519910110 /nfs/dbraw/zinc/91/01/10/519910110.db2.gz ISWSMWVEZGVPQO-LQDVMPOASA-N 2 2 252.402 2.160 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCOCC1 ZINC000054602108 519910112 /nfs/dbraw/zinc/91/01/12/519910112.db2.gz ISWSMWVEZGVPQO-LQDVMPOASA-N 2 2 252.402 2.160 10 0 CEAELP CCC[NH2+][C@@H](CCn1cc[nH+]c1C(C)C)C(=O)OCC ZINC000062534377 520006862 /nfs/dbraw/zinc/00/68/62/520006862.db2.gz NKCVDMBRDRWQLG-ZDUSSCGKSA-N 2 2 281.400 2.328 10 0 CEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069288344 520064306 /nfs/dbraw/zinc/06/43/06/520064306.db2.gz NZKSXJNBJLGWDM-HIFRSBDPSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069288344 520064310 /nfs/dbraw/zinc/06/43/10/520064310.db2.gz NZKSXJNBJLGWDM-HIFRSBDPSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(C)(C)CC1 ZINC000061819886 520095932 /nfs/dbraw/zinc/09/59/32/520095932.db2.gz STWPXFPDMVMQDY-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC1CCC([NH+]2CCN(c3ccc(N)[nH+]c3)CC2)CC1 ZINC000068606679 520942664 /nfs/dbraw/zinc/94/26/64/520942664.db2.gz CMSSVXFOOALSKI-UHFFFAOYSA-N 2 2 274.412 2.365 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069237437 520967875 /nfs/dbraw/zinc/96/78/75/520967875.db2.gz XWEPSEQZGMRKAI-OAHLLOKOSA-N 2 2 260.381 2.353 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069237437 520967866 /nfs/dbraw/zinc/96/78/66/520967866.db2.gz XWEPSEQZGMRKAI-OAHLLOKOSA-N 2 2 260.381 2.353 10 0 CEAELP CC[N@@H+](Cc1ccc(F)cc1F)C[C@@H](C)C(N)=[NH2+] ZINC000050884953 521314634 /nfs/dbraw/zinc/31/46/34/521314634.db2.gz FDXZBMBCXZOYTR-SECBINFHSA-N 2 2 255.312 2.359 10 0 CEAELP CC[N@H+](Cc1ccc(F)cc1F)C[C@@H](C)C(N)=[NH2+] ZINC000050884953 521314636 /nfs/dbraw/zinc/31/46/36/521314636.db2.gz FDXZBMBCXZOYTR-SECBINFHSA-N 2 2 255.312 2.359 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[NH+]1CCSCC1 ZINC000052203411 521932186 /nfs/dbraw/zinc/93/21/86/521932186.db2.gz HBBXRDSDOVEYEZ-CQSZACIVSA-N 2 2 250.411 2.298 10 0 CEAELP C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515478 522037855 /nfs/dbraw/zinc/03/78/55/522037855.db2.gz WMHDJUQAMOWESY-KRWDZBQOSA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417250 522064582 /nfs/dbraw/zinc/06/45/82/522064582.db2.gz NURYEVQIQLTHBI-MRXNPFEDSA-N 2 2 261.413 2.053 10 0 CEAELP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCOC[C@H]1C ZINC000052476008 522101812 /nfs/dbraw/zinc/10/18/12/522101812.db2.gz CSGXILLAMFZBLF-GFCCVEGCSA-N 2 2 274.364 2.373 10 0 CEAELP C[NH2+]Cc1c2ccccc2oc1C[N@H+]1CCOC[C@H]1C ZINC000052476008 522101820 /nfs/dbraw/zinc/10/18/20/522101820.db2.gz CSGXILLAMFZBLF-GFCCVEGCSA-N 2 2 274.364 2.373 10 0 CEAELP C[NH2+]Cc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000052420413 522151451 /nfs/dbraw/zinc/15/14/51/522151451.db2.gz FNUWKYHNQVHJJY-GHMZBOCLSA-N 2 2 253.415 2.340 10 0 CEAELP COC[C@@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511223 522220707 /nfs/dbraw/zinc/22/07/07/522220707.db2.gz MXFVVNRDNUBPMT-LLVKDONJSA-N 2 2 271.430 2.108 10 0 CEAELP COC[C@@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511223 522220718 /nfs/dbraw/zinc/22/07/18/522220718.db2.gz MXFVVNRDNUBPMT-LLVKDONJSA-N 2 2 271.430 2.108 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1cccnc1C(N)=[NH2+] ZINC000062807748 522505388 /nfs/dbraw/zinc/50/53/88/522505388.db2.gz OCCWUKACPJVIPR-UHFFFAOYSA-N 2 2 279.347 2.326 10 0 CEAELP C[N@H+](Cc1ccc(F)cc1)Cc1ccc[nH+]c1NN ZINC000052722909 523252758 /nfs/dbraw/zinc/25/27/58/523252758.db2.gz PCPSOINJOKTTQO-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@@H+](Cc1ccc(F)cc1)Cc1ccc[nH+]c1NN ZINC000052722909 523252768 /nfs/dbraw/zinc/25/27/68/523252768.db2.gz PCPSOINJOKTTQO-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570735 523507203 /nfs/dbraw/zinc/50/72/03/523507203.db2.gz IORBOYVXKHWAHS-CFVMTHIKSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570735 523507210 /nfs/dbraw/zinc/50/72/10/523507210.db2.gz IORBOYVXKHWAHS-CFVMTHIKSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068698411 523576187 /nfs/dbraw/zinc/57/61/87/523576187.db2.gz KXNCZJOSFONPQT-XJKSGUPXSA-N 2 2 272.396 2.297 10 0 CEAELP C[NH+](C)CC1CC[NH+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000053428363 524049612 /nfs/dbraw/zinc/04/96/12/524049612.db2.gz VXKXAHUBZCNBFA-UHFFFAOYSA-N 3 2 269.477 2.286 10 0 CEAELP Cc1cc(C[N@H+]2CCOC[C@@H]2C)oc1C[NH2+]C1CC1 ZINC000052476174 524699495 /nfs/dbraw/zinc/69/94/95/524699495.db2.gz MDZBUFFFRJSASP-LBPRGKRZSA-N 2 2 264.369 2.061 10 0 CEAELP Cc1cc(C[N@@H+]2CCOC[C@@H]2C)oc1C[NH2+]C1CC1 ZINC000052476174 524699504 /nfs/dbraw/zinc/69/95/04/524699504.db2.gz MDZBUFFFRJSASP-LBPRGKRZSA-N 2 2 264.369 2.061 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1F ZINC000062802899 524836472 /nfs/dbraw/zinc/83/64/72/524836472.db2.gz UKUZADICFRGQNR-VIFPVBQESA-N 2 2 251.280 2.099 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@H](C)O1 ZINC000052380496 524984157 /nfs/dbraw/zinc/98/41/57/524984157.db2.gz BYAJFUBJUHECMX-TXEJJXNPSA-N 2 2 281.400 2.172 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@H](C)O1 ZINC000052380496 524984167 /nfs/dbraw/zinc/98/41/67/524984167.db2.gz BYAJFUBJUHECMX-TXEJJXNPSA-N 2 2 281.400 2.172 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc2ccccc2n1 ZINC000062802836 525001915 /nfs/dbraw/zinc/00/19/15/525001915.db2.gz HHEXHGRPCRNZNC-GFCCVEGCSA-N 2 2 266.348 2.369 10 0 CEAELP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000069134630 525096951 /nfs/dbraw/zinc/09/69/51/525096951.db2.gz TVOAYXAMYMKWSD-ZIAGYGMSSA-N 2 2 270.380 2.055 10 0 CEAELP Cc1cc([C@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)ccc1F ZINC000050546439 525535713 /nfs/dbraw/zinc/53/57/13/525535713.db2.gz OCAMGQAHIBUWPR-KRWDZBQOSA-N 3 2 293.430 2.408 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156326674 526506954 /nfs/dbraw/zinc/50/69/54/526506954.db2.gz MMOCCAHMOGLDPN-AWEZNQCLSA-N 2 2 273.336 2.340 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156326674 526506961 /nfs/dbraw/zinc/50/69/61/526506961.db2.gz MMOCCAHMOGLDPN-AWEZNQCLSA-N 2 2 273.336 2.340 10 0 CEAELP CCN(CC)c1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000400332063 528313805 /nfs/dbraw/zinc/31/38/05/528313805.db2.gz FCNBOKSSNCDYFJ-QWHCGFSZSA-N 2 2 262.401 2.338 10 0 CEAELP CCNC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189894628 535789518 /nfs/dbraw/zinc/78/95/18/535789518.db2.gz CQHLCBQMXFDQLV-ZDUSSCGKSA-N 2 2 286.379 2.049 10 0 CEAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000237017002 629152559 /nfs/dbraw/zinc/15/25/59/629152559.db2.gz UKGIYRFOBCCUGM-QMTHXVAHSA-N 2 2 290.342 2.323 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708230 652706987 /nfs/dbraw/zinc/70/69/87/652706987.db2.gz HBBHGNZVWXIGLU-IKWCTNDRSA-N 2 2 294.361 2.464 10 0 CEAELP c1c2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2cc2c1OCCCO2 ZINC000034939117 361798419 /nfs/dbraw/zinc/79/84/19/361798419.db2.gz ITUASSGQQTVFIY-JTQLQIEISA-N 2 2 273.336 2.191 10 0 CEAELP Oc1cccc2c1CC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000036852645 361864828 /nfs/dbraw/zinc/86/48/28/361864828.db2.gz SYPZMYJEXMKSIG-AWEZNQCLSA-N 2 2 257.337 2.256 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747123 539232387 /nfs/dbraw/zinc/23/23/87/539232387.db2.gz UBMUXOFACSHEFR-HNNXBMFYSA-N 2 2 282.815 2.459 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747123 539232389 /nfs/dbraw/zinc/23/23/89/539232389.db2.gz UBMUXOFACSHEFR-HNNXBMFYSA-N 2 2 282.815 2.459 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248747320 282214129 /nfs/dbraw/zinc/21/41/29/282214129.db2.gz BFSPXHYWJCMESJ-LSDHHAIUSA-N 2 2 261.369 2.349 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000248747320 282214133 /nfs/dbraw/zinc/21/41/33/282214133.db2.gz BFSPXHYWJCMESJ-LSDHHAIUSA-N 2 2 261.369 2.349 10 0 CEAELP [NH3+]C[C@H]([NH3+])c1ccc(Br)c(Br)c1 ZINC000044472704 362153898 /nfs/dbraw/zinc/15/38/98/362153898.db2.gz FYRPTKQOISEHBW-QMMMGPOBSA-N 2 2 293.990 2.170 10 0 CEAELP Cc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000045955127 362171597 /nfs/dbraw/zinc/17/15/97/362171597.db2.gz QBIZZBUNDKQAPF-CYBMUJFWSA-N 2 2 269.352 2.011 10 0 CEAELP O[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000037321165 343426554 /nfs/dbraw/zinc/42/65/54/343426554.db2.gz IMQVRBTZYANTST-HOCLYGCPSA-N 2 2 271.364 2.265 10 0 CEAELP [NH3+]CC[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132277378 344362752 /nfs/dbraw/zinc/36/27/52/344362752.db2.gz PKFICMOPRJMTEI-MRVPVSSYSA-N 2 2 275.215 2.436 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578995 522594846 /nfs/dbraw/zinc/59/48/46/522594846.db2.gz VILIRTVONSLEQT-FZMZJTMJSA-N 2 2 254.349 2.101 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578995 522594853 /nfs/dbraw/zinc/59/48/53/522594853.db2.gz VILIRTVONSLEQT-FZMZJTMJSA-N 2 2 254.349 2.101 10 0 CEAELP CC[N@H+](CCC[C@@](C)(O)C[NH3+])c1ccccc1C ZINC000085303917 179010939 /nfs/dbraw/zinc/01/09/39/179010939.db2.gz VVFBBANUCDSBNY-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@@](C)(O)C[NH3+])c1ccccc1C ZINC000085303917 179010941 /nfs/dbraw/zinc/01/09/41/179010941.db2.gz VVFBBANUCDSBNY-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2[nH+]1 ZINC000085363956 179035125 /nfs/dbraw/zinc/03/51/25/179035125.db2.gz QINMMGMGRFVWFI-NWDGAFQWSA-N 2 2 272.352 2.327 10 0 CEAELP CC(C)CO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)C1(C)C ZINC000085400985 179051715 /nfs/dbraw/zinc/05/17/15/179051715.db2.gz AVGYRCCJSOSLJI-UONOGXRCSA-N 2 2 279.428 2.392 10 0 CEAELP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2C)C1(C)C ZINC000085400989 179052065 /nfs/dbraw/zinc/05/20/65/179052065.db2.gz AVGYRCCJSOSLJI-ZIAGYGMSSA-N 2 2 279.428 2.392 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085471444 179076003 /nfs/dbraw/zinc/07/60/03/179076003.db2.gz IZWZJPDEDHFWEA-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCCO2)C2(CCCC2)C[NH2+]1 ZINC000085471444 179076006 /nfs/dbraw/zinc/07/60/06/179076006.db2.gz IZWZJPDEDHFWEA-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497987 179082851 /nfs/dbraw/zinc/08/28/51/179082851.db2.gz MHPKMJNHEBONKA-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085497987 179082852 /nfs/dbraw/zinc/08/28/52/179082852.db2.gz MHPKMJNHEBONKA-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP c1cn(CCn2c3c(nc2C2CCCC2)C[NH2+]CC3)c[nH+]1 ZINC000085607234 179101164 /nfs/dbraw/zinc/10/11/64/179101164.db2.gz MNBXZMNOTZRLOT-UHFFFAOYSA-N 2 2 285.395 2.083 10 0 CEAELP Cc1[nH+]ccn1CCN1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000085610808 179103422 /nfs/dbraw/zinc/10/34/22/179103422.db2.gz BANCAYLEOUCFOH-KRWDZBQOSA-N 2 2 284.407 2.228 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000085798100 179173361 /nfs/dbraw/zinc/17/33/61/179173361.db2.gz SBZUTQKVCAYFFA-VIFPVBQESA-N 2 2 275.165 2.020 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151858 179240714 /nfs/dbraw/zinc/24/07/14/179240714.db2.gz OOEQSOLEPZJZOA-QPSCCSFWSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151858 179240715 /nfs/dbraw/zinc/24/07/15/179240715.db2.gz OOEQSOLEPZJZOA-QPSCCSFWSA-N 2 2 256.434 2.366 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1[nH+]ccn1C ZINC000086264796 179260910 /nfs/dbraw/zinc/26/09/10/179260910.db2.gz SZNFMPJFSMRQBV-GDBMZVCRSA-N 2 2 276.428 2.019 10 0 CEAELP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1Cc1[nH+]ccn1C ZINC000086264880 179261061 /nfs/dbraw/zinc/26/10/61/179261061.db2.gz HUULTARFJNKPAN-KGLIPLIRSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1[C@@H](C)CCOC ZINC000086268126 179262402 /nfs/dbraw/zinc/26/24/02/179262402.db2.gz LUDHBGIJOIPOAT-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1[C@@H](C)CCOC ZINC000086268126 179262404 /nfs/dbraw/zinc/26/24/04/179262404.db2.gz LUDHBGIJOIPOAT-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CCC[NH2+]2)cc1 ZINC000086287264 179264989 /nfs/dbraw/zinc/26/49/89/179264989.db2.gz ZKLDTHGOVHVBJF-INIZCTEOSA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](C3CCOCC3)CCC[NH2+]2)cc1 ZINC000086287264 179264990 /nfs/dbraw/zinc/26/49/90/179264990.db2.gz ZKLDTHGOVHVBJF-INIZCTEOSA-N 2 2 274.408 2.072 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000086296436 179267752 /nfs/dbraw/zinc/26/77/52/179267752.db2.gz IOCCIFBNHBZOGA-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000086296436 179267753 /nfs/dbraw/zinc/26/77/53/179267753.db2.gz IOCCIFBNHBZOGA-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897080 365940218 /nfs/dbraw/zinc/94/02/18/365940218.db2.gz OQTFJDOQTWJATB-OLZOCXBDSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897080 365940223 /nfs/dbraw/zinc/94/02/23/365940223.db2.gz OQTFJDOQTWJATB-OLZOCXBDSA-N 2 2 278.396 2.449 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817429 179344578 /nfs/dbraw/zinc/34/45/78/179344578.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817429 179344580 /nfs/dbraw/zinc/34/45/80/179344580.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)on1 ZINC000086843571 179352502 /nfs/dbraw/zinc/35/25/02/179352502.db2.gz CONCJZBVRIRATD-ZDUSSCGKSA-N 2 2 251.374 2.336 10 0 CEAELP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)on1 ZINC000086843571 179352503 /nfs/dbraw/zinc/35/25/03/179352503.db2.gz CONCJZBVRIRATD-ZDUSSCGKSA-N 2 2 251.374 2.336 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840502 179353032 /nfs/dbraw/zinc/35/30/32/179353032.db2.gz WFWLECVRFUAXRL-GJZGRUSLSA-N 3 2 264.417 2.124 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840502 179353033 /nfs/dbraw/zinc/35/30/33/179353033.db2.gz WFWLECVRFUAXRL-GJZGRUSLSA-N 3 2 264.417 2.124 10 0 CEAELP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)no1 ZINC000086843472 179353257 /nfs/dbraw/zinc/35/32/57/179353257.db2.gz YLATYBMMUQSEOU-ZDUSSCGKSA-N 2 2 251.374 2.336 10 0 CEAELP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)no1 ZINC000086843472 179353258 /nfs/dbraw/zinc/35/32/58/179353258.db2.gz YLATYBMMUQSEOU-ZDUSSCGKSA-N 2 2 251.374 2.336 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842249 179353466 /nfs/dbraw/zinc/35/34/66/179353466.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842249 179353467 /nfs/dbraw/zinc/35/34/67/179353467.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 3 2 267.461 2.323 10 0 CEAELP CCC[N@@H+]1CCC[C@@]([NH3+])(c2noc(C(C)C)n2)CC1 ZINC000086851756 179359521 /nfs/dbraw/zinc/35/95/21/179359521.db2.gz DNVRYMPAVISMMV-AWEZNQCLSA-N 2 2 266.389 2.243 10 0 CEAELP CCC[N@H+]1CCC[C@@]([NH3+])(c2noc(C(C)C)n2)CC1 ZINC000086851756 179359522 /nfs/dbraw/zinc/35/95/22/179359522.db2.gz DNVRYMPAVISMMV-AWEZNQCLSA-N 2 2 266.389 2.243 10 0 CEAELP CC(C)c1nc([C@@]2([NH3+])CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851751 179359849 /nfs/dbraw/zinc/35/98/49/179359849.db2.gz QXFWRCCFDLBXCM-CQSZACIVSA-N 2 2 266.389 2.241 10 0 CEAELP CC(C)c1nc([C@@]2([NH3+])CCC[N@H+](C(C)C)CC2)no1 ZINC000086851751 179359850 /nfs/dbraw/zinc/35/98/50/179359850.db2.gz QXFWRCCFDLBXCM-CQSZACIVSA-N 2 2 266.389 2.241 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCOCC2)CC1 ZINC000086890728 179366174 /nfs/dbraw/zinc/36/61/74/179366174.db2.gz YGKWXFAMCOSQAT-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCOCC2)CC1 ZINC000086890728 179366176 /nfs/dbraw/zinc/36/61/76/179366176.db2.gz YGKWXFAMCOSQAT-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)CC1 ZINC000086890722 179366317 /nfs/dbraw/zinc/36/63/17/179366317.db2.gz VXFAWBSEPOKRMW-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOC(C)(C)C2)CC1 ZINC000086890722 179366318 /nfs/dbraw/zinc/36/63/18/179366318.db2.gz VXFAWBSEPOKRMW-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045983 179387988 /nfs/dbraw/zinc/38/79/88/179387988.db2.gz OMMUHUXKJJAAIJ-AWEZNQCLSA-N 2 2 268.445 2.390 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045983 179387990 /nfs/dbraw/zinc/38/79/90/179387990.db2.gz OMMUHUXKJJAAIJ-AWEZNQCLSA-N 2 2 268.445 2.390 10 0 CEAELP Cc1nn(CC[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1Cl ZINC000067880945 362930455 /nfs/dbraw/zinc/93/04/55/362930455.db2.gz WOQNECLKIYGDGT-JTQLQIEISA-N 2 2 281.791 2.028 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000400456554 233179136 /nfs/dbraw/zinc/17/91/36/233179136.db2.gz SQMWCILNMTYXKD-OUCADQQQSA-N 2 2 278.396 2.495 10 0 CEAELP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693452 180025479 /nfs/dbraw/zinc/02/54/79/180025479.db2.gz SONAWNQXPPXGLM-CVEARBPZSA-N 2 2 295.471 2.242 10 0 CEAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693452 180025480 /nfs/dbraw/zinc/02/54/80/180025480.db2.gz SONAWNQXPPXGLM-CVEARBPZSA-N 2 2 295.471 2.242 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874395 180050337 /nfs/dbraw/zinc/05/03/37/180050337.db2.gz MMMXMLVIMGSOSF-HIFRSBDPSA-N 2 2 260.381 2.064 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907479 180062358 /nfs/dbraw/zinc/06/23/58/180062358.db2.gz LAQPGGFZBUPJOZ-XHSDSOJGSA-N 2 2 266.429 2.408 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907479 180062360 /nfs/dbraw/zinc/06/23/60/180062360.db2.gz LAQPGGFZBUPJOZ-XHSDSOJGSA-N 2 2 266.429 2.408 10 0 CEAELP CCOC1CC[NH+](Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958097 180074855 /nfs/dbraw/zinc/07/48/55/180074855.db2.gz JVFJWUGVIMFJFQ-JTQLQIEISA-N 2 2 269.414 2.164 10 0 CEAELP Nc1ccsc1C[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000090959943 180075317 /nfs/dbraw/zinc/07/53/17/180075317.db2.gz CCPXZYYZRGBFKY-NWDGAFQWSA-N 2 2 262.382 2.410 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000091322910 180134338 /nfs/dbraw/zinc/13/43/38/180134338.db2.gz KKFVMJMMHPOAII-HNNXBMFYSA-N 2 2 295.471 2.228 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[NH+]1CCC(C)(CC)CC1 ZINC000091322906 180134621 /nfs/dbraw/zinc/13/46/21/180134621.db2.gz SMHRQOYXAJPQRP-AWEZNQCLSA-N 2 2 283.460 2.084 10 0 CEAELP CC(C)N1CCCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275673 180119049 /nfs/dbraw/zinc/11/90/49/180119049.db2.gz SGOUCLWIODQYHM-DZGCQCFKSA-N 2 2 262.401 2.481 10 0 CEAELP CC(C)[N@@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275673 180119050 /nfs/dbraw/zinc/11/90/50/180119050.db2.gz SGOUCLWIODQYHM-DZGCQCFKSA-N 2 2 262.401 2.481 10 0 CEAELP CC(C)[N@H+]1CCCC[C@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275673 180119052 /nfs/dbraw/zinc/11/90/52/180119052.db2.gz SGOUCLWIODQYHM-DZGCQCFKSA-N 2 2 262.401 2.481 10 0 CEAELP CCN([C@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CCCC1 ZINC000091276254 180119970 /nfs/dbraw/zinc/11/99/70/180119970.db2.gz HAIVJXBLRSOCQC-CQSZACIVSA-N 2 2 262.401 2.482 10 0 CEAELP CCCN(CC1CC1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276372 180120372 /nfs/dbraw/zinc/12/03/72/180120372.db2.gz WCBAQBSWZCOFQM-CQSZACIVSA-N 2 2 262.401 2.340 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@H+](C)CC1CC(O)C1 ZINC000091459703 180160617 /nfs/dbraw/zinc/16/06/17/180160617.db2.gz CCTTUMPSUGGASJ-RBJWDRSHSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091459703 180160618 /nfs/dbraw/zinc/16/06/18/180160618.db2.gz CCTTUMPSUGGASJ-RBJWDRSHSA-N 2 2 282.815 2.431 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464196 180162970 /nfs/dbraw/zinc/16/29/70/180162970.db2.gz HMVHNTAXYSBWTJ-XCAIRMDXSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091464196 180162973 /nfs/dbraw/zinc/16/29/73/180162973.db2.gz HMVHNTAXYSBWTJ-XCAIRMDXSA-N 2 2 262.397 2.086 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)[N@H+](C)CC1CC(O)C1 ZINC000091464590 180163308 /nfs/dbraw/zinc/16/33/08/180163308.db2.gz HWWUGMHDDLVULQ-JOGKNCMKSA-N 2 2 288.844 2.493 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)[N@@H+](C)CC1CC(O)C1 ZINC000091464590 180163310 /nfs/dbraw/zinc/16/33/10/180163310.db2.gz HWWUGMHDDLVULQ-JOGKNCMKSA-N 2 2 288.844 2.493 10 0 CEAELP CC[C@H](C)n1ccc(C[C@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528390 180180055 /nfs/dbraw/zinc/18/00/55/180180055.db2.gz IFNPDIBCMLUGQE-AAEUAGOBSA-N 2 2 252.406 2.064 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091535156 180182356 /nfs/dbraw/zinc/18/23/56/180182356.db2.gz LJMGQDXDGAIXMK-AWEZNQCLSA-N 3 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)N1CCCC1 ZINC000091535156 180182357 /nfs/dbraw/zinc/18/23/57/180182357.db2.gz LJMGQDXDGAIXMK-AWEZNQCLSA-N 2 2 276.428 2.059 10 0 CEAELP CCC(CC)([C@@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091634457 180210530 /nfs/dbraw/zinc/21/05/30/180210530.db2.gz NTIVPCNKLFMLGF-AWEZNQCLSA-N 2 2 277.412 2.222 10 0 CEAELP CC[NH2+][C@@H](Cc1ccn(C2CCCCC2)n1)C[NH+](C)C ZINC000091719788 180234417 /nfs/dbraw/zinc/23/44/17/180234417.db2.gz CSHABEFHDKNRMP-HNNXBMFYSA-N 2 2 278.444 2.471 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926439 180287261 /nfs/dbraw/zinc/28/72/61/180287261.db2.gz BNGSDNAKHDBGTO-MRXNPFEDSA-N 2 2 285.391 2.070 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054155 180312844 /nfs/dbraw/zinc/31/28/44/180312844.db2.gz CFMZFUPOXKRWKR-ZBFHGGJFSA-N 2 2 292.423 2.457 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054155 180312845 /nfs/dbraw/zinc/31/28/45/180312845.db2.gz CFMZFUPOXKRWKR-ZBFHGGJFSA-N 2 2 292.423 2.457 10 0 CEAELP C[N@@H+]1CCO[C@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054497 180314073 /nfs/dbraw/zinc/31/40/73/180314073.db2.gz NXVZDLKPORGERF-INIZCTEOSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@H](COc2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000092054497 180314075 /nfs/dbraw/zinc/31/40/75/180314075.db2.gz NXVZDLKPORGERF-INIZCTEOSA-N 2 2 292.423 2.284 10 0 CEAELP C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054409 180314211 /nfs/dbraw/zinc/31/42/11/180314211.db2.gz SEFSREZQGYWUGJ-AAEUAGOBSA-N 2 2 298.814 2.330 10 0 CEAELP C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054409 180314213 /nfs/dbraw/zinc/31/42/13/180314213.db2.gz SEFSREZQGYWUGJ-AAEUAGOBSA-N 2 2 298.814 2.330 10 0 CEAELP CC[NH2+]CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003539 180304762 /nfs/dbraw/zinc/30/47/62/180304762.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH2+]CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003539 180304764 /nfs/dbraw/zinc/30/47/64/180304764.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH2+]CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003539 180304766 /nfs/dbraw/zinc/30/47/66/180304766.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH2+]CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003539 180304767 /nfs/dbraw/zinc/30/47/67/180304767.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP Cc1cc(N[C@H](CC(C)C)C[NH+](C)C)[nH+]cc1N ZINC000092027013 180308729 /nfs/dbraw/zinc/30/87/29/180308729.db2.gz JUIHVKCLWHGEEF-GFCCVEGCSA-N 2 2 250.390 2.360 10 0 CEAELP COc1cc(OC)cc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092083386 180320805 /nfs/dbraw/zinc/32/08/05/180320805.db2.gz ZVTJGNKCEKXMSN-OZVIIMIRSA-N 2 2 278.396 2.291 10 0 CEAELP COc1cc(OC)cc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092083386 180320806 /nfs/dbraw/zinc/32/08/06/180320806.db2.gz ZVTJGNKCEKXMSN-OZVIIMIRSA-N 2 2 278.396 2.291 10 0 CEAELP Cc1noc(C)c1[C@@H](C)[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000092342440 180365535 /nfs/dbraw/zinc/36/55/35/180365535.db2.gz MSGJQDFGLBUOLA-LLVKDONJSA-N 2 2 251.374 2.426 10 0 CEAELP Cc1noc(C)c1[C@@H](C)[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000092342440 180365538 /nfs/dbraw/zinc/36/55/38/180365538.db2.gz MSGJQDFGLBUOLA-LLVKDONJSA-N 2 2 251.374 2.426 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@@H](CO)C(C)C)n1-c1ccccc1 ZINC000092394072 180376384 /nfs/dbraw/zinc/37/63/84/180376384.db2.gz MEDBDWSNHPDNTF-INIZCTEOSA-N 2 2 273.380 2.287 10 0 CEAELP COCC[N@H+](C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385748 180373463 /nfs/dbraw/zinc/37/34/63/180373463.db2.gz ROHDQWBZHCNHJC-IRXDYDNUSA-N 2 2 290.407 2.121 10 0 CEAELP COCC[N@@H+](C1CC1)[C@H]1CCc2ccc(OC)cc2[C@@H]1[NH3+] ZINC000092385748 180373465 /nfs/dbraw/zinc/37/34/65/180373465.db2.gz ROHDQWBZHCNHJC-IRXDYDNUSA-N 2 2 290.407 2.121 10 0 CEAELP C[N@H+](CCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110929514 186333199 /nfs/dbraw/zinc/33/31/99/186333199.db2.gz RPWXPFFYFSOGOU-CYBMUJFWSA-N 2 2 250.411 2.463 10 0 CEAELP C[N@@H+](CCSc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110929514 186333201 /nfs/dbraw/zinc/33/32/01/186333201.db2.gz RPWXPFFYFSOGOU-CYBMUJFWSA-N 2 2 250.411 2.463 10 0 CEAELP CCN(c1cn[nH+]c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110947167 186336023 /nfs/dbraw/zinc/33/60/23/186336023.db2.gz VENREWDCEIEHQU-LBPRGKRZSA-N 2 2 256.353 2.208 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)[nH+]c1 ZINC000130753419 365987448 /nfs/dbraw/zinc/98/74/48/365987448.db2.gz RZFVZEGOKNTSKB-HNNXBMFYSA-N 2 2 268.364 2.411 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccncc3)C2)[nH+]c1 ZINC000130753419 365987453 /nfs/dbraw/zinc/98/74/53/365987453.db2.gz RZFVZEGOKNTSKB-HNNXBMFYSA-N 2 2 268.364 2.411 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000111150184 186360523 /nfs/dbraw/zinc/36/05/23/186360523.db2.gz KURAXDFCXCMUDO-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000111150184 186360525 /nfs/dbraw/zinc/36/05/25/186360525.db2.gz KURAXDFCXCMUDO-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157889 186361401 /nfs/dbraw/zinc/36/14/01/186361401.db2.gz CXGYTSBKEBOUDV-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157889 186361403 /nfs/dbraw/zinc/36/14/03/186361403.db2.gz CXGYTSBKEBOUDV-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)s1 ZINC000111155838 186363047 /nfs/dbraw/zinc/36/30/47/186363047.db2.gz IHEGZJRBJRNRLE-ZDUSSCGKSA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)s1 ZINC000111155838 186363048 /nfs/dbraw/zinc/36/30/48/186363048.db2.gz IHEGZJRBJRNRLE-ZDUSSCGKSA-N 2 2 268.426 2.415 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)CCC[NH+](C)C ZINC000111147717 186358661 /nfs/dbraw/zinc/35/86/61/186358661.db2.gz NLUPSLXEKSUKEL-INIZCTEOSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)CCC[NH+](C)C ZINC000111147717 186358663 /nfs/dbraw/zinc/35/86/63/186358663.db2.gz NLUPSLXEKSUKEL-INIZCTEOSA-N 3 2 269.477 2.428 10 0 CEAELP C[NH+](C)C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317911 186396146 /nfs/dbraw/zinc/39/61/46/186396146.db2.gz BDGLWCMWTQOALV-GOEBONIOSA-N 2 2 262.397 2.306 10 0 CEAELP C[NH+](C)CCC[N@H+](C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329884 186399443 /nfs/dbraw/zinc/39/94/43/186399443.db2.gz QDCMHLQCHBNCET-QGZVFWFLSA-N 3 2 299.503 2.055 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329884 186399445 /nfs/dbraw/zinc/39/94/45/186399445.db2.gz QDCMHLQCHBNCET-QGZVFWFLSA-N 3 2 299.503 2.055 10 0 CEAELP CO[C@H]1C[N@H+](CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361545 351711756 /nfs/dbraw/zinc/71/17/56/351711756.db2.gz JQNYBDBETMEDTM-UKRRQHHQSA-N 2 2 280.437 2.217 10 0 CEAELP CO[C@H]1C[N@@H+](CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361545 351711759 /nfs/dbraw/zinc/71/17/59/351711759.db2.gz JQNYBDBETMEDTM-UKRRQHHQSA-N 2 2 280.437 2.217 10 0 CEAELP CO[C@H]1C[N@H+](Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368074 351714354 /nfs/dbraw/zinc/71/43/54/351714354.db2.gz QFAPNOAWXVWYBJ-HUUCEWRRSA-N 2 2 266.360 2.072 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368074 351714358 /nfs/dbraw/zinc/71/43/58/351714358.db2.gz QFAPNOAWXVWYBJ-HUUCEWRRSA-N 2 2 266.360 2.072 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2[nH+]1 ZINC000070575342 363096934 /nfs/dbraw/zinc/09/69/34/363096934.db2.gz CMAVAARWBQQCJN-QWRGUYRKSA-N 2 2 272.352 2.327 10 0 CEAELP C[N@@H+]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076077 540117363 /nfs/dbraw/zinc/11/73/63/540117363.db2.gz TZASLWNVZKGJCE-CYBMUJFWSA-N 2 2 254.324 2.395 10 0 CEAELP C[N@H+]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076077 540117366 /nfs/dbraw/zinc/11/73/66/540117366.db2.gz TZASLWNVZKGJCE-CYBMUJFWSA-N 2 2 254.324 2.395 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469473 540357889 /nfs/dbraw/zinc/35/78/89/540357889.db2.gz UOVICICTWURXSE-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOc3ccccc32)C1 ZINC000389469473 540357891 /nfs/dbraw/zinc/35/78/91/540357891.db2.gz UOVICICTWURXSE-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000183162275 189348647 /nfs/dbraw/zinc/34/86/47/189348647.db2.gz LXOTVEZEZVELPZ-KKUMJFAQSA-N 2 2 291.395 2.079 10 0 CEAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000183162275 189348648 /nfs/dbraw/zinc/34/86/48/189348648.db2.gz LXOTVEZEZVELPZ-KKUMJFAQSA-N 2 2 291.395 2.079 10 0 CEAELP C[N@@H+](Cc1cncc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000168413630 367353382 /nfs/dbraw/zinc/35/33/82/367353382.db2.gz GSJMPDGGBWHBPW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[N@H+](Cc1cncc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000168413630 367353386 /nfs/dbraw/zinc/35/33/86/367353386.db2.gz GSJMPDGGBWHBPW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1cncc(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000168413630 367353390 /nfs/dbraw/zinc/35/33/90/367353390.db2.gz GSJMPDGGBWHBPW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1cncc(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000168413630 367353394 /nfs/dbraw/zinc/35/33/94/367353394.db2.gz GSJMPDGGBWHBPW-NSHDSACASA-N 2 2 298.228 2.228 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000631840050 367580198 /nfs/dbraw/zinc/58/01/98/367580198.db2.gz OVVDFFIBVJRIDU-QWRGUYRKSA-N 2 2 267.442 2.467 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000631840050 367580203 /nfs/dbraw/zinc/58/02/03/367580203.db2.gz OVVDFFIBVJRIDU-QWRGUYRKSA-N 2 2 267.442 2.467 10 0 CEAELP Cc1cccc(CCC[N@@H+]2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000181102066 368421260 /nfs/dbraw/zinc/42/12/60/368421260.db2.gz PHZGBQKNSSDNLM-QGZVFWFLSA-N 2 2 276.424 2.190 10 0 CEAELP Cc1cccc(CCC[N@H+]2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000181102066 368421263 /nfs/dbraw/zinc/42/12/63/368421263.db2.gz PHZGBQKNSSDNLM-QGZVFWFLSA-N 2 2 276.424 2.190 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000186575250 368998580 /nfs/dbraw/zinc/99/85/80/368998580.db2.gz QZXJZCGLVOPUDN-IAGOWNOFSA-N 2 2 294.414 2.366 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000186575250 368998584 /nfs/dbraw/zinc/99/85/84/368998584.db2.gz QZXJZCGLVOPUDN-IAGOWNOFSA-N 2 2 294.414 2.366 10 0 CEAELP c1csc(C2CC[NH+](CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993645 369022334 /nfs/dbraw/zinc/02/23/34/369022334.db2.gz AQGSZGLQNTYJPD-UHFFFAOYSA-N 2 2 263.410 2.075 10 0 CEAELP c1cn(CC[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000276124132 193220070 /nfs/dbraw/zinc/22/00/70/193220070.db2.gz XXRZBRHINRLPBB-HNNXBMFYSA-N 2 2 285.395 2.322 10 0 CEAELP c1cn(CC[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)c[nH+]1 ZINC000276124132 193220072 /nfs/dbraw/zinc/22/00/72/193220072.db2.gz XXRZBRHINRLPBB-HNNXBMFYSA-N 2 2 285.395 2.322 10 0 CEAELP C[N@H+](Cc1ccncc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668167 370485232 /nfs/dbraw/zinc/48/52/32/370485232.db2.gz OWZVQLSROXHKMD-GFCCVEGCSA-N 2 2 253.777 2.309 10 0 CEAELP C[N@@H+](Cc1ccncc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231668167 370485237 /nfs/dbraw/zinc/48/52/37/370485237.db2.gz OWZVQLSROXHKMD-GFCCVEGCSA-N 2 2 253.777 2.309 10 0 CEAELP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249905311 371369731 /nfs/dbraw/zinc/36/97/31/371369731.db2.gz UUOXXSQKJQLJSO-KGLIPLIRSA-N 2 2 291.395 2.075 10 0 CEAELP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249905311 371369737 /nfs/dbraw/zinc/36/97/37/371369737.db2.gz UUOXXSQKJQLJSO-KGLIPLIRSA-N 2 2 291.395 2.075 10 0 CEAELP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1C ZINC000261600410 371671669 /nfs/dbraw/zinc/67/16/69/371671669.db2.gz AEAJFKNOHAMGGN-AWEZNQCLSA-N 2 2 286.379 2.482 10 0 CEAELP Cc1cccc([C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1C ZINC000261600410 371671676 /nfs/dbraw/zinc/67/16/76/371671676.db2.gz AEAJFKNOHAMGGN-AWEZNQCLSA-N 2 2 286.379 2.482 10 0 CEAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262082685 371819780 /nfs/dbraw/zinc/81/97/80/371819780.db2.gz FJGUDYFBQOKVIL-WBVHZDCISA-N 2 2 290.407 2.168 10 0 CEAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262082685 371819786 /nfs/dbraw/zinc/81/97/86/371819786.db2.gz FJGUDYFBQOKVIL-WBVHZDCISA-N 2 2 290.407 2.168 10 0 CEAELP Cc1nc2ccc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2s1 ZINC000262100205 371823571 /nfs/dbraw/zinc/82/35/71/371823571.db2.gz VNRLYBYUBQPDNG-SKDRFNHKSA-N 2 2 261.394 2.384 10 0 CEAELP Cc1nc2ccc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2s1 ZINC000262100205 371823574 /nfs/dbraw/zinc/82/35/74/371823574.db2.gz VNRLYBYUBQPDNG-SKDRFNHKSA-N 2 2 261.394 2.384 10 0 CEAELP CC(C)n1cc[nH+]c1CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641810200 372758253 /nfs/dbraw/zinc/75/82/53/372758253.db2.gz UTSQDCPPBXIPGU-MCIONIFRSA-N 2 2 264.417 2.412 10 0 CEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000333231519 205135059 /nfs/dbraw/zinc/13/50/59/205135059.db2.gz CBHHMNDGHPWLHF-NJZAAPMLSA-N 2 2 273.380 2.190 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000389236239 375300771 /nfs/dbraw/zinc/30/07/71/375300771.db2.gz JVDYXXDWDTWCGV-OCCSQVGLSA-N 2 2 250.361 2.441 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2F)C1 ZINC000389236239 375300776 /nfs/dbraw/zinc/30/07/76/375300776.db2.gz JVDYXXDWDTWCGV-OCCSQVGLSA-N 2 2 250.361 2.441 10 0 CEAELP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922641 376862873 /nfs/dbraw/zinc/86/28/73/376862873.db2.gz QJPUOPMJBOVFBD-ZYHUDNBSSA-N 2 2 254.761 2.059 10 0 CEAELP CC[NH2+][C@@H](Cc1ccsc1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093927521 184744675 /nfs/dbraw/zinc/74/46/75/184744675.db2.gz CRQWXFDECBSZBD-LSDHHAIUSA-N 2 2 282.453 2.378 10 0 CEAELP CC[NH2+][C@@H](Cc1ccsc1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093927521 184744676 /nfs/dbraw/zinc/74/46/76/184744676.db2.gz CRQWXFDECBSZBD-LSDHHAIUSA-N 2 2 282.453 2.378 10 0 CEAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@](C)(O)C[NH3+] ZINC000085303970 135035589 /nfs/dbraw/zinc/03/55/89/135035589.db2.gz GQTPNNGYELQPLA-INIZCTEOSA-N 2 2 262.397 2.238 10 0 CEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@](C)(O)C[NH3+] ZINC000085303970 135035591 /nfs/dbraw/zinc/03/55/91/135035591.db2.gz GQTPNNGYELQPLA-INIZCTEOSA-N 2 2 262.397 2.238 10 0 CEAELP C[NH+](C)c1ccc(N2CC[NH2+]C3(CCCC3)C2)cc1 ZINC000086128200 135039205 /nfs/dbraw/zinc/03/92/05/135039205.db2.gz TYSPQDHSMZHWEN-UHFFFAOYSA-N 2 2 259.397 2.475 10 0 CEAELP NC(=[NH2+])C1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000090802783 135066107 /nfs/dbraw/zinc/06/61/07/135066107.db2.gz XXAXEJHGTFOKOS-UHFFFAOYSA-N 2 2 272.274 2.253 10 0 CEAELP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093463212 135080873 /nfs/dbraw/zinc/08/08/73/135080873.db2.gz IBJAQKHMIZMEPH-GDBMZVCRSA-N 3 2 288.439 2.171 10 0 CEAELP c1csc([C@H]2CCCC[N@H+]2C[C@H]2CC[NH2+]C2)n1 ZINC000649412011 396146217 /nfs/dbraw/zinc/14/62/17/396146217.db2.gz CELCIMCAQXPRBU-NWDGAFQWSA-N 2 2 251.399 2.280 10 0 CEAELP c1csc([C@H]2CCCC[N@@H+]2C[C@H]2CC[NH2+]C2)n1 ZINC000649412011 396146220 /nfs/dbraw/zinc/14/62/20/396146220.db2.gz CELCIMCAQXPRBU-NWDGAFQWSA-N 2 2 251.399 2.280 10 0 CEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000649577087 396196532 /nfs/dbraw/zinc/19/65/32/396196532.db2.gz XRGZXXDCBVHNJP-CABCVRRESA-N 2 2 254.418 2.002 10 0 CEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000649577087 396196534 /nfs/dbraw/zinc/19/65/34/396196534.db2.gz XRGZXXDCBVHNJP-CABCVRRESA-N 2 2 254.418 2.002 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC)C12CCOCC2 ZINC000248991320 286285472 /nfs/dbraw/zinc/28/54/72/286285472.db2.gz LDMACCLWVDYODW-BZUAXINKSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248991320 286285473 /nfs/dbraw/zinc/28/54/73/286285473.db2.gz LDMACCLWVDYODW-BZUAXINKSA-N 2 2 296.455 2.035 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261600066 162547392 /nfs/dbraw/zinc/54/73/92/162547392.db2.gz BJEAPYGNBMFJGD-AWEZNQCLSA-N 2 2 293.386 2.132 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000261600066 162547399 /nfs/dbraw/zinc/54/73/99/162547399.db2.gz BJEAPYGNBMFJGD-AWEZNQCLSA-N 2 2 293.386 2.132 10 0 CEAELP CCC[N@H+](C)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226677 171091304 /nfs/dbraw/zinc/09/13/04/171091304.db2.gz OLDTWYXFUOPKME-GFCCVEGCSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226677 171091305 /nfs/dbraw/zinc/09/13/05/171091305.db2.gz OLDTWYXFUOPKME-GFCCVEGCSA-N 2 2 252.358 2.045 10 0 CEAELP CCc1ccc(OC[C@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000020400813 171181540 /nfs/dbraw/zinc/18/15/40/171181540.db2.gz JZNOWZOAEFZCGR-HNNXBMFYSA-N 2 2 262.397 2.441 10 0 CEAELP COc1ccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1F ZINC000022108510 171353023 /nfs/dbraw/zinc/35/30/23/171353023.db2.gz DAXOBJJGYGTFLP-NSHDSACASA-N 2 2 252.333 2.191 10 0 CEAELP COc1ccc([C@H](C)[N@H+]2CCC[NH2+]CC2)cc1F ZINC000022108510 171353024 /nfs/dbraw/zinc/35/30/24/171353024.db2.gz DAXOBJJGYGTFLP-NSHDSACASA-N 2 2 252.333 2.191 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000037241123 173058054 /nfs/dbraw/zinc/05/80/54/173058054.db2.gz ZMIJKBJRZZCPPX-OAHLLOKOSA-N 2 2 250.361 2.442 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000037241123 173058057 /nfs/dbraw/zinc/05/80/57/173058057.db2.gz ZMIJKBJRZZCPPX-OAHLLOKOSA-N 2 2 250.361 2.442 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCO2 ZINC000037249442 173061721 /nfs/dbraw/zinc/06/17/21/173061721.db2.gz CXBCLTUEQZNTKK-OAHLLOKOSA-N 2 2 287.363 2.395 10 0 CEAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363628 173153390 /nfs/dbraw/zinc/15/33/90/173153390.db2.gz YTFMHIXRSJRKBD-WFASDCNBSA-N 2 2 260.381 2.496 10 0 CEAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363628 173153392 /nfs/dbraw/zinc/15/33/92/173153392.db2.gz YTFMHIXRSJRKBD-WFASDCNBSA-N 2 2 260.381 2.496 10 0 CEAELP CC[NH+](CC)[C@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000038827566 174155806 /nfs/dbraw/zinc/15/58/06/174155806.db2.gz NUEKOBYBHPBKBF-GFCCVEGCSA-N 2 2 282.384 2.054 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000040638546 174363261 /nfs/dbraw/zinc/36/32/61/174363261.db2.gz YJIHZTOAVGWOCY-UHFFFAOYSA-N 2 2 251.280 2.031 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000040678597 174374843 /nfs/dbraw/zinc/37/48/43/174374843.db2.gz YXUZFYRWXCEGOR-MRXNPFEDSA-N 2 2 290.407 2.122 10 0 CEAELP CC(=O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694227 174377715 /nfs/dbraw/zinc/37/77/15/174377715.db2.gz QACODDHCPLCQGT-UHFFFAOYSA-N 2 2 252.402 2.306 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)cc1 ZINC000311453117 414860454 /nfs/dbraw/zinc/86/04/54/414860454.db2.gz JTNLBAZRFNFZHG-CJNGLKHVSA-N 2 2 264.413 2.212 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)cc1 ZINC000311453117 414860461 /nfs/dbraw/zinc/86/04/61/414860461.db2.gz JTNLBAZRFNFZHG-CJNGLKHVSA-N 2 2 264.413 2.212 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345945 175016781 /nfs/dbraw/zinc/01/67/81/175016781.db2.gz UHJZGJDDPJYASA-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345945 175016782 /nfs/dbraw/zinc/01/67/82/175016782.db2.gz UHJZGJDDPJYASA-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP [NH3+]C[C@@H](c1cccnc1)n1cc[nH+]c1-c1ccccc1 ZINC000043348932 175019193 /nfs/dbraw/zinc/01/91/93/175019193.db2.gz FEOFEXQZUQSVEX-HNNXBMFYSA-N 2 2 264.332 2.493 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCOC)CC(C)C ZINC000043354389 175021800 /nfs/dbraw/zinc/02/18/00/175021800.db2.gz OYNIOHCCKLNUTQ-HOTGVXAUSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCOC)CC(C)C ZINC000043354389 175021801 /nfs/dbraw/zinc/02/18/01/175021801.db2.gz OYNIOHCCKLNUTQ-HOTGVXAUSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(OC)CC1 ZINC000043364104 175024465 /nfs/dbraw/zinc/02/44/65/175024465.db2.gz XABACJWXVAJWCG-DZGCQCFKSA-N 2 2 266.385 2.477 10 0 CEAELP C[NH2+][C@@H](C)CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817755 175113288 /nfs/dbraw/zinc/11/32/88/175113288.db2.gz UEXJJOHDXRWGJA-LBPRGKRZSA-N 2 2 278.396 2.060 10 0 CEAELP C[NH2+][C@@H](C)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817755 175113289 /nfs/dbraw/zinc/11/32/89/175113289.db2.gz UEXJJOHDXRWGJA-LBPRGKRZSA-N 2 2 278.396 2.060 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897632 175120309 /nfs/dbraw/zinc/12/03/09/175120309.db2.gz CSFOLZZJEICNIH-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897632 175120311 /nfs/dbraw/zinc/12/03/11/175120311.db2.gz CSFOLZZJEICNIH-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902158 175122535 /nfs/dbraw/zinc/12/25/35/175122535.db2.gz CXYDUAHXGWXBGF-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902158 175122536 /nfs/dbraw/zinc/12/25/36/175122536.db2.gz CXYDUAHXGWXBGF-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902248 175122787 /nfs/dbraw/zinc/12/27/87/175122787.db2.gz XPCRQQGDSMQNHV-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902248 175122789 /nfs/dbraw/zinc/12/27/89/175122789.db2.gz XPCRQQGDSMQNHV-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@@H](C[N@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915392 175125105 /nfs/dbraw/zinc/12/51/05/175125105.db2.gz BRJBWKGOLCIGJW-KLZNEWFBSA-N 2 2 280.456 2.369 10 0 CEAELP C[NH2+][C@@H](C[N@@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915392 175125106 /nfs/dbraw/zinc/12/51/06/175125106.db2.gz BRJBWKGOLCIGJW-KLZNEWFBSA-N 2 2 280.456 2.369 10 0 CEAELP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971226 175132587 /nfs/dbraw/zinc/13/25/87/175132587.db2.gz FVLRVXWYBINVEN-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCCO[C@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971226 175132589 /nfs/dbraw/zinc/13/25/89/175132589.db2.gz FVLRVXWYBINVEN-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000044747469 175243115 /nfs/dbraw/zinc/24/31/15/175243115.db2.gz JPQLSLZRXUYSBI-HNNXBMFYSA-N 2 2 271.364 2.335 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067060 175300235 /nfs/dbraw/zinc/30/02/35/175300235.db2.gz NXBNMSFXCYRGJI-DAXOMENPSA-N 2 2 276.428 2.463 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067060 175300237 /nfs/dbraw/zinc/30/02/37/175300237.db2.gz NXBNMSFXCYRGJI-DAXOMENPSA-N 2 2 276.428 2.463 10 0 CEAELP C[NH+]1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071273 175301361 /nfs/dbraw/zinc/30/13/61/175301361.db2.gz IRHOUFBIFCIUTK-HNNXBMFYSA-N 2 2 265.445 2.064 10 0 CEAELP C[NH+]1CCC(CN)([N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071273 175301362 /nfs/dbraw/zinc/30/13/62/175301362.db2.gz IRHOUFBIFCIUTK-HNNXBMFYSA-N 2 2 265.445 2.064 10 0 CEAELP Nc1[nH+]c2c(cccc2F)n1CCCCn1cc[nH+]c1 ZINC000045108612 175308914 /nfs/dbraw/zinc/30/89/14/175308914.db2.gz PZEWWSIKBKRUPO-UHFFFAOYSA-N 2 2 273.315 2.435 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376137 175366466 /nfs/dbraw/zinc/36/64/66/175366466.db2.gz MUXPHSCRXBIDQS-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376137 175366468 /nfs/dbraw/zinc/36/64/68/175366468.db2.gz MUXPHSCRXBIDQS-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381050 175369777 /nfs/dbraw/zinc/36/97/77/175369777.db2.gz OLMWELUACHKPJK-HNNXBMFYSA-N 2 2 270.417 2.038 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381050 175369779 /nfs/dbraw/zinc/36/97/79/175369779.db2.gz OLMWELUACHKPJK-HNNXBMFYSA-N 2 2 270.417 2.038 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090878 176031222 /nfs/dbraw/zinc/03/12/22/176031222.db2.gz ALVYUAKJBFKMSL-IAGOWNOFSA-N 2 2 276.424 2.476 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090880 176031397 /nfs/dbraw/zinc/03/13/97/176031397.db2.gz ALVYUAKJBFKMSL-SJORKVTESA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCOCC2)C1 ZINC000071123455 176034798 /nfs/dbraw/zinc/03/47/98/176034798.db2.gz KQESDUJWPBDAPT-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCOCC2)C1 ZINC000071123455 176034799 /nfs/dbraw/zinc/03/47/99/176034799.db2.gz KQESDUJWPBDAPT-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](Cc1ccc(N)cc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000071188150 176062464 /nfs/dbraw/zinc/06/24/64/176062464.db2.gz SLZXKBJWFNKEKI-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[N@H+](Cc1ccc(N)cc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000071188150 176062466 /nfs/dbraw/zinc/06/24/66/176062466.db2.gz SLZXKBJWFNKEKI-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1ccc(N)cc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071188150 176062468 /nfs/dbraw/zinc/06/24/68/176062468.db2.gz SLZXKBJWFNKEKI-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1ccc(N)cc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000071188150 176062469 /nfs/dbraw/zinc/06/24/69/176062469.db2.gz SLZXKBJWFNKEKI-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191401 176069608 /nfs/dbraw/zinc/06/96/08/176069608.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191401 176069609 /nfs/dbraw/zinc/06/96/09/176069609.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191401 176069610 /nfs/dbraw/zinc/06/96/10/176069610.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191401 176069611 /nfs/dbraw/zinc/06/96/11/176069611.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191642 176069789 /nfs/dbraw/zinc/06/97/89/176069789.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 3 2 290.455 2.196 10 0 CEAELP CC[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191642 176069790 /nfs/dbraw/zinc/06/97/90/176069790.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 3 2 290.455 2.196 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191416 176070639 /nfs/dbraw/zinc/07/06/39/176070639.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191416 176070641 /nfs/dbraw/zinc/07/06/41/176070641.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191416 176070642 /nfs/dbraw/zinc/07/06/42/176070642.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 3 2 289.467 2.467 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191416 176070643 /nfs/dbraw/zinc/07/06/43/176070643.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 3 2 289.467 2.467 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)oc1C ZINC000071191945 176071568 /nfs/dbraw/zinc/07/15/68/176071568.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)oc1C ZINC000071191945 176071570 /nfs/dbraw/zinc/07/15/70/176071570.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191945 176071572 /nfs/dbraw/zinc/07/15/72/176071572.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC000071191945 176071573 /nfs/dbraw/zinc/07/15/73/176071573.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP COc1ccc(CC[N@@H+]2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197901 176076829 /nfs/dbraw/zinc/07/68/29/176076829.db2.gz JDGXNPLFEYVBBC-OAHLLOKOSA-N 2 2 262.397 2.310 10 0 CEAELP COc1ccc(CC[N@H+]2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197901 176076830 /nfs/dbraw/zinc/07/68/30/176076830.db2.gz JDGXNPLFEYVBBC-OAHLLOKOSA-N 2 2 262.397 2.310 10 0 CEAELP CCC[NH2+]C1CC[NH+](Cc2scnc2C)CC1 ZINC000071213124 176084681 /nfs/dbraw/zinc/08/46/81/176084681.db2.gz HHZQEWHBMTXRSK-UHFFFAOYSA-N 2 2 253.415 2.416 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267953 176101616 /nfs/dbraw/zinc/10/16/16/176101616.db2.gz RUNZOTCTWDXOSU-SNVBAGLBSA-N 2 2 279.359 2.109 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267953 176101618 /nfs/dbraw/zinc/10/16/18/176101618.db2.gz RUNZOTCTWDXOSU-SNVBAGLBSA-N 2 2 279.359 2.109 10 0 CEAELP CC(C)C[C@@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071351481 176134788 /nfs/dbraw/zinc/13/47/88/176134788.db2.gz XWTHUZHCJPQPEY-OAHLLOKOSA-N 2 2 278.444 2.372 10 0 CEAELP C(C1CCOCC1)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071358727 176138049 /nfs/dbraw/zinc/13/80/49/176138049.db2.gz BWGKKDBTIHDZIU-MRXNPFEDSA-N 2 2 278.440 2.410 10 0 CEAELP C(C1CCOCC1)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000071358727 176138051 /nfs/dbraw/zinc/13/80/51/176138051.db2.gz BWGKKDBTIHDZIU-MRXNPFEDSA-N 2 2 278.440 2.410 10 0 CEAELP Cc1[nH+]ccn1-c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390271 176148444 /nfs/dbraw/zinc/14/84/44/176148444.db2.gz FKWKYJPTEMJSHA-UHFFFAOYSA-N 2 2 251.293 2.013 10 0 CEAELP C[NH+](C)C1CC[NH+](C[C@H]2CC(C)(C)CC[C@@H]2[NH3+])CC1 ZINC000079666867 177533741 /nfs/dbraw/zinc/53/37/41/177533741.db2.gz JFTHENSABMEHBL-HIFRSBDPSA-N 3 2 267.461 2.166 10 0 CEAELP COC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000237123082 277052265 /nfs/dbraw/zinc/05/22/65/277052265.db2.gz PVPKDPDIJVPWNE-VXGQWTEUSA-N 2 2 282.428 2.037 10 0 CEAELP COC(=O)C1CCC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000237123082 277052266 /nfs/dbraw/zinc/05/22/66/277052266.db2.gz PVPKDPDIJVPWNE-VXGQWTEUSA-N 2 2 282.428 2.037 10 0 CEAELP Cc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C1 ZINC000564987702 298866719 /nfs/dbraw/zinc/86/67/19/298866719.db2.gz FZKXBHVSKLJKML-NSHDSACASA-N 2 2 269.186 2.209 10 0 CEAELP [NH3+]CC[C@H](Nc1cc(C(F)(F)F)cc[nH+]1)C(F)F ZINC000383374415 321847492 /nfs/dbraw/zinc/84/74/92/321847492.db2.gz KKHGPNRBUSNEOK-ZETCQYMHSA-N 2 2 269.217 2.495 10 0 CEAELP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419891 519743843 /nfs/dbraw/zinc/74/38/43/519743843.db2.gz SYQFDSFWESGRRN-HNNXBMFYSA-N 3 2 269.477 2.427 10 0 CEAELP CC(C)C[NH2+]CCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419891 519743844 /nfs/dbraw/zinc/74/38/44/519743844.db2.gz SYQFDSFWESGRRN-HNNXBMFYSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321521 520022831 /nfs/dbraw/zinc/02/28/31/520022831.db2.gz RZFSEUBIYDKFNX-ZIAGYGMSSA-N 2 2 262.401 2.138 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321521 520022838 /nfs/dbraw/zinc/02/28/38/520022838.db2.gz RZFSEUBIYDKFNX-ZIAGYGMSSA-N 2 2 262.401 2.138 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1CC)C(=O)OC ZINC000068649427 520046530 /nfs/dbraw/zinc/04/65/30/520046530.db2.gz WFVKKOPPORCDAP-WFASDCNBSA-N 2 2 281.400 2.328 10 0 CEAELP CCC[NH2+][C@H](C)C[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000068654906 520063267 /nfs/dbraw/zinc/06/32/67/520063267.db2.gz FKNBDVLFQLEQMA-OLZOCXBDSA-N 2 2 295.393 2.333 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544080 521567866 /nfs/dbraw/zinc/56/78/66/521567866.db2.gz QMUGCELUQDKTJY-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544080 521567875 /nfs/dbraw/zinc/56/78/75/521567875.db2.gz QMUGCELUQDKTJY-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)=CC[NH+]1CCC([NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049554234 519428655 /nfs/dbraw/zinc/42/86/55/519428655.db2.gz AOZNTAHYOAKSDY-HNNXBMFYSA-N 3 2 267.461 2.347 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481808 519730059 /nfs/dbraw/zinc/73/00/59/519730059.db2.gz WQWMNWOOSMNMHQ-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481808 519730061 /nfs/dbraw/zinc/73/00/61/519730061.db2.gz WQWMNWOOSMNMHQ-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+][C@@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068642040 519736335 /nfs/dbraw/zinc/73/63/35/519736335.db2.gz ZXDLVYPYZBDFBZ-DYVFJYSZSA-N 2 2 289.423 2.023 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503893 519744765 /nfs/dbraw/zinc/74/47/65/519744765.db2.gz LCKSZKDQSZKHIM-GJZGRUSLSA-N 2 2 297.468 2.368 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503893 519744767 /nfs/dbraw/zinc/74/47/67/519744767.db2.gz LCKSZKDQSZKHIM-GJZGRUSLSA-N 2 2 297.468 2.368 10 0 CEAELP CCCC1CC[NH+]([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000050892926 519903425 /nfs/dbraw/zinc/90/34/25/519903425.db2.gz GLYNIGYNFLMTLH-SWLSCSKDSA-N 2 2 264.417 2.321 10 0 CEAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374688 519969512 /nfs/dbraw/zinc/96/95/12/519969512.db2.gz PTYDOUREOYZNAX-AWEZNQCLSA-N 2 2 279.403 2.193 10 0 CEAELP CC[NH2+]Cc1occc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540217 520030672 /nfs/dbraw/zinc/03/06/72/520030672.db2.gz CEJAGXKYUMOFGJ-KBPBESRZSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1occc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540217 520030679 /nfs/dbraw/zinc/03/06/79/520030679.db2.gz CEJAGXKYUMOFGJ-KBPBESRZSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000061362248 520737989 /nfs/dbraw/zinc/73/79/89/520737989.db2.gz VBXVYHCYIBFXHH-TZMCWYRMSA-N 2 2 282.453 2.418 10 0 CEAELP CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641928 521155957 /nfs/dbraw/zinc/15/59/57/521155957.db2.gz UXFMABWWWAMFSQ-WBMJQRKESA-N 2 2 276.380 2.061 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631401 521184289 /nfs/dbraw/zinc/18/42/89/521184289.db2.gz JLFWCQYICIQGEM-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631401 521184295 /nfs/dbraw/zinc/18/42/95/521184295.db2.gz JLFWCQYICIQGEM-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC000049150128 521582091 /nfs/dbraw/zinc/58/20/91/521582091.db2.gz MAIUVULSZHBMSM-HUUCEWRRSA-N 3 2 267.461 2.181 10 0 CEAELP CN(C)C[C@H]1CCC[N@@H+]1Cc1c2ccccc2oc1C[NH3+] ZINC000061654398 521869783 /nfs/dbraw/zinc/86/97/83/521869783.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 2 2 287.407 2.418 10 0 CEAELP CN(C)C[C@H]1CCC[N@H+]1Cc1c2ccccc2oc1C[NH3+] ZINC000061654398 521869793 /nfs/dbraw/zinc/86/97/93/521869793.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 2 2 287.407 2.418 10 0 CEAELP C[NH+](C)Cn1c2ccccc2n(C[NH+](C)C)c1=S ZINC000059517842 521938590 /nfs/dbraw/zinc/93/85/90/521938590.db2.gz BWIHYJAVIZYPNO-UHFFFAOYSA-N 2 2 264.398 2.210 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423655 522025787 /nfs/dbraw/zinc/02/57/87/522025787.db2.gz SYLBIQAGBQRBRB-KRWDZBQOSA-N 2 2 291.439 2.061 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000052418894 522063247 /nfs/dbraw/zinc/06/32/47/522063247.db2.gz GBMSIRSSLYJOBP-QGZVFWFLSA-N 2 2 275.440 2.361 10 0 CEAELP CC[C@@H](C)[NH+]1CCN(c2[nH+]c(C)cc(C)c2CO)CC1 ZINC000055069076 522137527 /nfs/dbraw/zinc/13/75/27/522137527.db2.gz UJMFDXUQWOGORF-CQSZACIVSA-N 2 2 277.412 2.111 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757613 522340387 /nfs/dbraw/zinc/34/03/87/522340387.db2.gz HZNHVTZZALSFLV-YCPHGPKFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757613 522340396 /nfs/dbraw/zinc/34/03/96/522340396.db2.gz HZNHVTZZALSFLV-YCPHGPKFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757218 522342748 /nfs/dbraw/zinc/34/27/48/522342748.db2.gz KXMAMQVNXFEJAO-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757218 522342755 /nfs/dbraw/zinc/34/27/55/522342755.db2.gz KXMAMQVNXFEJAO-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)c(OC)c1 ZINC000062803030 522647221 /nfs/dbraw/zinc/64/72/21/522647221.db2.gz PZYPASHPVAJSFP-CYBMUJFWSA-N 2 2 289.379 2.228 10 0 CEAELP C[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502614 523126461 /nfs/dbraw/zinc/12/64/61/523126461.db2.gz ZSJXIKWOSIVUJM-ZBFHGGJFSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502614 523126488 /nfs/dbraw/zinc/12/64/88/523126488.db2.gz ZSJXIKWOSIVUJM-ZBFHGGJFSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502654 523782420 /nfs/dbraw/zinc/78/24/20/523782420.db2.gz FEPFXSOQGIOHNB-QGZVFWFLSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502654 523782424 /nfs/dbraw/zinc/78/24/24/523782424.db2.gz FEPFXSOQGIOHNB-QGZVFWFLSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[NH2+]Cc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000062738913 523952026 /nfs/dbraw/zinc/95/20/26/523952026.db2.gz LZTWPVRUXUZQIP-UHFFFAOYSA-N 2 2 259.353 2.225 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049150066 524316166 /nfs/dbraw/zinc/31/61/66/524316166.db2.gz KPYIWOLYELCNQS-OAHLLOKOSA-N 3 2 288.439 2.124 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049151341 524591647 /nfs/dbraw/zinc/59/16/47/524591647.db2.gz KUAOAINHNWJVTD-LBPRGKRZSA-N 2 2 293.377 2.087 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049150021 524595352 /nfs/dbraw/zinc/59/53/52/524595352.db2.gz JAZLYKJSFOQROX-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049150021 524595358 /nfs/dbraw/zinc/59/53/58/524595358.db2.gz JAZLYKJSFOQROX-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049150021 524595362 /nfs/dbraw/zinc/59/53/62/524595362.db2.gz JAZLYKJSFOQROX-FUHWJXTLSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638486 524652571 /nfs/dbraw/zinc/65/25/71/524652571.db2.gz GIHKBGUVMLZRAD-DYVFJYSZSA-N 2 2 295.471 2.273 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)CC1CCCCC1 ZINC000068638486 524652584 /nfs/dbraw/zinc/65/25/84/524652584.db2.gz GIHKBGUVMLZRAD-DYVFJYSZSA-N 2 2 295.471 2.273 10 0 CEAELP C[C@@H](C[C@](C)([NH3+])C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643023 524859854 /nfs/dbraw/zinc/85/98/54/524859854.db2.gz VPGVCPQRJUHDLN-ZFWWWQNUSA-N 2 2 281.444 2.014 10 0 CEAELP Cc1[nH+]c[nH]c1CNCC1([NH+](C)C)CCCCC1 ZINC000054793971 525459752 /nfs/dbraw/zinc/45/97/52/525459752.db2.gz BEGGCEOVOPCMEH-UHFFFAOYSA-N 2 2 250.390 2.072 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068630056 525647088 /nfs/dbraw/zinc/64/70/88/525647088.db2.gz XTKVHMHPSHCBLD-ZMSDIMECSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068630056 525647093 /nfs/dbraw/zinc/64/70/93/525647093.db2.gz XTKVHMHPSHCBLD-ZMSDIMECSA-N 3 2 281.488 2.414 10 0 CEAELP Cc1cc2[nH+]cn(CC[NH2+]C3CCOCC3)c2cc1C ZINC000062767934 525684531 /nfs/dbraw/zinc/68/45/31/525684531.db2.gz QWFQUVNLCOGKNF-UHFFFAOYSA-N 2 2 273.380 2.422 10 0 CEAELP Cc1c(C)n([C@@H](C)C[NH+]2CCCC2)c2nc[nH+]c(N)c12 ZINC000049185779 525687442 /nfs/dbraw/zinc/68/74/42/525687442.db2.gz LSACWGHFPBDVPW-JTQLQIEISA-N 2 2 273.384 2.287 10 0 CEAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000062249769 526222649 /nfs/dbraw/zinc/22/26/49/526222649.db2.gz KOIMKXFEAWACRG-CZUORRHYSA-N 2 2 278.444 2.396 10 0 CEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000052205736 526356189 /nfs/dbraw/zinc/35/61/89/526356189.db2.gz QKIGVDWABMVKKR-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000052205736 526356194 /nfs/dbraw/zinc/35/61/94/526356194.db2.gz QKIGVDWABMVKKR-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP Nc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702180 527537058 /nfs/dbraw/zinc/53/70/58/527537058.db2.gz GKPBAABOMJNBEY-AWEZNQCLSA-N 2 2 269.348 2.317 10 0 CEAELP Nc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702180 527537061 /nfs/dbraw/zinc/53/70/61/527537061.db2.gz GKPBAABOMJNBEY-AWEZNQCLSA-N 2 2 269.348 2.317 10 0 CEAELP CC[NH2+][C@H](C)CC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000043817882 535508331 /nfs/dbraw/zinc/50/83/31/535508331.db2.gz YOLPRZUIONNMNZ-OAHLLOKOSA-N 2 2 291.439 2.205 10 0 CEAELP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)s1 ZINC000399007796 628768894 /nfs/dbraw/zinc/76/88/94/628768894.db2.gz AMAVXSUICPNLBO-GFCCVEGCSA-N 2 2 282.453 2.472 10 0 CEAELP COC(=O)C1CCC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000237123585 629240101 /nfs/dbraw/zinc/24/01/01/629240101.db2.gz PVPKDPDIJVPWNE-PPWQZUPISA-N 2 2 282.428 2.037 10 0 CEAELP COC(=O)C1CCC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000237123585 629240105 /nfs/dbraw/zinc/24/01/05/629240105.db2.gz PVPKDPDIJVPWNE-PPWQZUPISA-N 2 2 282.428 2.037 10 0 CEAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1sccc1Br ZINC000082613855 178126336 /nfs/dbraw/zinc/12/63/36/178126336.db2.gz VPKSVPJUUAPVIL-SSDOTTSWSA-N 2 2 272.171 2.476 10 0 CEAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000032497124 361738714 /nfs/dbraw/zinc/73/87/14/361738714.db2.gz IUTSDFNVBHYSTK-GFCCVEGCSA-N 2 2 252.358 2.045 10 0 CEAELP CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973345 361801654 /nfs/dbraw/zinc/80/16/54/361801654.db2.gz UOWNODDFUCFZOH-INIZCTEOSA-N 2 2 262.397 2.277 10 0 CEAELP CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973345 361801657 /nfs/dbraw/zinc/80/16/57/361801657.db2.gz UOWNODDFUCFZOH-INIZCTEOSA-N 2 2 262.397 2.277 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811579 522594974 /nfs/dbraw/zinc/59/49/74/522594974.db2.gz OOKQXEAXAVBACQ-AAEUAGOBSA-N 2 2 262.353 2.399 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811579 522594982 /nfs/dbraw/zinc/59/49/82/522594982.db2.gz OOKQXEAXAVBACQ-AAEUAGOBSA-N 2 2 262.353 2.399 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085498565 179082920 /nfs/dbraw/zinc/08/29/20/179082920.db2.gz HNIOTGTZFMEMNB-UHFFFAOYSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085498565 179082922 /nfs/dbraw/zinc/08/29/22/179082922.db2.gz HNIOTGTZFMEMNB-UHFFFAOYSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085498737 179083209 /nfs/dbraw/zinc/08/32/09/179083209.db2.gz SLXZKACKPMYPGU-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085498737 179083210 /nfs/dbraw/zinc/08/32/10/179083210.db2.gz SLXZKACKPMYPGU-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+][C@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085528183 179090320 /nfs/dbraw/zinc/09/03/20/179090320.db2.gz NWEAVQMYAXQLIE-JKSUJKDBSA-N 2 2 276.428 2.126 10 0 CEAELP COCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529295 179091167 /nfs/dbraw/zinc/09/11/67/179091167.db2.gz AJVOGYODRHUHNX-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529295 179091169 /nfs/dbraw/zinc/09/11/69/179091169.db2.gz AJVOGYODRHUHNX-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609536 179101484 /nfs/dbraw/zinc/10/14/84/179101484.db2.gz KSMKAUGUXJUZKW-DZGCQCFKSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2cnn(CC)c2)CCC[NH2+]1 ZINC000085609536 179101488 /nfs/dbraw/zinc/10/14/88/179101488.db2.gz KSMKAUGUXJUZKW-DZGCQCFKSA-N 2 2 264.417 2.113 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609107 179101492 /nfs/dbraw/zinc/10/14/92/179101492.db2.gz ARAHLUVEVXNLAT-NWDGAFQWSA-N 2 2 282.350 2.275 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609107 179101493 /nfs/dbraw/zinc/10/14/93/179101493.db2.gz ARAHLUVEVXNLAT-NWDGAFQWSA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)[C@H]1C[N@H+](CC2CCOCC2)[C@@H](C)CC[NH2+]1 ZINC000085618527 179103800 /nfs/dbraw/zinc/10/38/00/179103800.db2.gz ISJJGZNOKUUMNZ-DZGCQCFKSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@H]1C[N@@H+](CC2CCOCC2)[C@@H](C)CC[NH2+]1 ZINC000085618527 179103802 /nfs/dbraw/zinc/10/38/02/179103802.db2.gz ISJJGZNOKUUMNZ-DZGCQCFKSA-N 2 2 254.418 2.121 10 0 CEAELP CC[NH2+][C@H](CCO)C[NH+]1CCC2(CCCCC2)CC1 ZINC000085922772 179201466 /nfs/dbraw/zinc/20/14/66/179201466.db2.gz VVTIYDWKLLKJRM-OAHLLOKOSA-N 2 2 268.445 2.393 10 0 CEAELP C[NH2+][C@@H](CCO)C[NH+]1CCC2(CCCCC2)CC1 ZINC000085922764 179201679 /nfs/dbraw/zinc/20/16/79/179201679.db2.gz PGPWAUPTPRRRBJ-AWEZNQCLSA-N 2 2 254.418 2.003 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218149 179249489 /nfs/dbraw/zinc/24/94/89/179249489.db2.gz ZUSWIOOPVOVQKD-UKMLZYKCSA-N 2 2 266.429 2.406 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218149 179249492 /nfs/dbraw/zinc/24/94/92/179249492.db2.gz ZUSWIOOPVOVQKD-UKMLZYKCSA-N 2 2 266.429 2.406 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218865 179251125 /nfs/dbraw/zinc/25/11/25/179251125.db2.gz XGMNDTBMRYMFCI-OAHLLOKOSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C1CCOCC1 ZINC000086218865 179251128 /nfs/dbraw/zinc/25/11/28/179251128.db2.gz XGMNDTBMRYMFCI-OAHLLOKOSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264826 179260904 /nfs/dbraw/zinc/26/09/04/179260904.db2.gz STTGANOFNXNHSI-ZFWWWQNUSA-N 2 2 276.428 2.163 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264891 179261272 /nfs/dbraw/zinc/26/12/72/179261272.db2.gz WRSWLRHEVILHOL-UONOGXRCSA-N 2 2 278.444 2.265 10 0 CEAELP C[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291461 179266196 /nfs/dbraw/zinc/26/61/96/179266196.db2.gz PNEONAYHTSYYAM-OAHLLOKOSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086291461 179266199 /nfs/dbraw/zinc/26/61/99/179266199.db2.gz PNEONAYHTSYYAM-OAHLLOKOSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)CC1 ZINC000086291525 179266494 /nfs/dbraw/zinc/26/64/94/179266494.db2.gz FLTUFDBMNMYMCH-QGZVFWFLSA-N 3 2 279.472 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)CC1 ZINC000086291525 179266496 /nfs/dbraw/zinc/26/64/96/179266496.db2.gz FLTUFDBMNMYMCH-QGZVFWFLSA-N 3 2 279.472 2.182 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296414 179267600 /nfs/dbraw/zinc/26/76/00/179267600.db2.gz YAACEOUSBVKZQP-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296414 179267601 /nfs/dbraw/zinc/26/76/01/179267601.db2.gz YAACEOUSBVKZQP-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CC(C)[C@@H]1C[N@@H+]([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299088 179268832 /nfs/dbraw/zinc/26/88/32/179268832.db2.gz SICWRMOQLNHHGD-LSDHHAIUSA-N 2 2 260.381 2.440 10 0 CEAELP CC(C)[C@@H]1C[N@H+]([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299088 179268833 /nfs/dbraw/zinc/26/88/33/179268833.db2.gz SICWRMOQLNHHGD-LSDHHAIUSA-N 2 2 260.381 2.440 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccccc1)[C@H]1C[N@H+](CC)CCO1 ZINC000086654271 179316738 /nfs/dbraw/zinc/31/67/38/179316738.db2.gz OJIVXIHFRVVDPP-DLBZAZTESA-N 2 2 276.424 2.318 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccccc1)[C@H]1C[N@@H+](CC)CCO1 ZINC000086654271 179316739 /nfs/dbraw/zinc/31/67/39/179316739.db2.gz OJIVXIHFRVVDPP-DLBZAZTESA-N 2 2 276.424 2.318 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CC[NH+](C)C1 ZINC000086776865 179328533 /nfs/dbraw/zinc/32/85/33/179328533.db2.gz QWWLQVFANSXECT-VIFPVBQESA-N 2 2 259.806 2.180 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)C[C@H]1CC[NH+](C)C1 ZINC000086776865 179328535 /nfs/dbraw/zinc/32/85/35/179328535.db2.gz QWWLQVFANSXECT-VIFPVBQESA-N 2 2 259.806 2.180 10 0 CEAELP C[NH+](Cc1cnc(Cl)s1)C[C@H]1CC[N@H+](C)C1 ZINC000086776865 179328536 /nfs/dbraw/zinc/32/85/36/179328536.db2.gz QWWLQVFANSXECT-VIFPVBQESA-N 2 2 259.806 2.180 10 0 CEAELP C[NH+](Cc1cnc(Cl)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000086776865 179328538 /nfs/dbraw/zinc/32/85/38/179328538.db2.gz QWWLQVFANSXECT-VIFPVBQESA-N 2 2 259.806 2.180 10 0 CEAELP CCc1nc([C@@]2([NH3+])CCC[N@H+](C)CC2)sc1C ZINC000086833635 179350641 /nfs/dbraw/zinc/35/06/41/179350641.db2.gz PGTXKBYNBSRAPN-CYBMUJFWSA-N 2 2 253.415 2.284 10 0 CEAELP CCc1nc([C@@]2([NH3+])CCC[N@@H+](C)CC2)sc1C ZINC000086833635 179350643 /nfs/dbraw/zinc/35/06/43/179350643.db2.gz PGTXKBYNBSRAPN-CYBMUJFWSA-N 2 2 253.415 2.284 10 0 CEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCOCC1 ZINC000086873179 179364492 /nfs/dbraw/zinc/36/44/92/179364492.db2.gz GWKQMBSXNXORIN-ZIAGYGMSSA-N 2 2 265.401 2.457 10 0 CEAELP COC1CC[NH+]([C@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890606 179366410 /nfs/dbraw/zinc/36/64/10/179366410.db2.gz RQBUOBZCUDSSAA-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC(C)[C@@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947839 179368666 /nfs/dbraw/zinc/36/86/66/179368666.db2.gz TZKRDXJIHZFPJQ-CABCVRRESA-N 2 2 254.418 2.252 10 0 CEAELP COC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949809 179368784 /nfs/dbraw/zinc/36/87/84/179368784.db2.gz LTRKPSUSOZTWOH-WBVHZDCISA-N 2 2 296.455 2.430 10 0 CEAELP COC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949809 179368786 /nfs/dbraw/zinc/36/87/86/179368786.db2.gz LTRKPSUSOZTWOH-WBVHZDCISA-N 2 2 296.455 2.430 10 0 CEAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(OC)c(F)c1)[C@@H](C)COC ZINC000086991970 179375113 /nfs/dbraw/zinc/37/51/13/179375113.db2.gz AAYJWMOHFVCGEA-FZMZJTMJSA-N 2 2 284.375 2.191 10 0 CEAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(OC)c(F)c1)[C@@H](C)COC ZINC000086991970 179375114 /nfs/dbraw/zinc/37/51/14/179375114.db2.gz AAYJWMOHFVCGEA-FZMZJTMJSA-N 2 2 284.375 2.191 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994816 179375951 /nfs/dbraw/zinc/37/59/51/179375951.db2.gz DOVFXMWTLZVIHF-SMDDNHRTSA-N 2 2 252.333 2.047 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994816 179375953 /nfs/dbraw/zinc/37/59/53/179375953.db2.gz DOVFXMWTLZVIHF-SMDDNHRTSA-N 2 2 252.333 2.047 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000089451599 539717294 /nfs/dbraw/zinc/71/72/94/539717294.db2.gz CRFUGOGCRYSXOG-QWHCGFSZSA-N 2 2 284.363 2.186 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](Cc1ccco1)C1CC1 ZINC000090566582 180006513 /nfs/dbraw/zinc/00/65/13/180006513.db2.gz VYNUOFQODDOKKG-XJKSGUPXSA-N 2 2 278.396 2.259 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](Cc1ccco1)C1CC1 ZINC000090566582 180006515 /nfs/dbraw/zinc/00/65/15/180006515.db2.gz VYNUOFQODDOKKG-XJKSGUPXSA-N 2 2 278.396 2.259 10 0 CEAELP COC(=O)c1cc(NCCCC[N@H+](C)C(C)C)cc[nH+]1 ZINC000090737920 180034297 /nfs/dbraw/zinc/03/42/97/180034297.db2.gz DMHGLRYRGQZBJS-UHFFFAOYSA-N 2 2 279.384 2.401 10 0 CEAELP COC(=O)c1cc(NCCCC[N@@H+](C)C(C)C)cc[nH+]1 ZINC000090737920 180034299 /nfs/dbraw/zinc/03/42/99/180034299.db2.gz DMHGLRYRGQZBJS-UHFFFAOYSA-N 2 2 279.384 2.401 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C2CC2)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877818 180052436 /nfs/dbraw/zinc/05/24/36/180052436.db2.gz KUTZIZDWBUIKJR-INIZCTEOSA-N 2 2 283.375 2.447 10 0 CEAELP CC(C)(C)[NH2+]C[C@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907535 180062487 /nfs/dbraw/zinc/06/24/87/180062487.db2.gz OFJYJJCGRUORTI-UXLLHSPISA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)(C)[NH2+]C[C@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907535 180062489 /nfs/dbraw/zinc/06/24/89/180062489.db2.gz OFJYJJCGRUORTI-UXLLHSPISA-N 2 2 296.455 2.035 10 0 CEAELP CC[C@@H]([NH3+])Cc1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091005600 180084517 /nfs/dbraw/zinc/08/45/17/180084517.db2.gz WBUZYLYYRPZTOV-CYBMUJFWSA-N 2 2 268.364 2.464 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C)c1 ZINC000091322716 180134734 /nfs/dbraw/zinc/13/47/34/180134734.db2.gz BOVMVAYYSHBZLR-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C)c1 ZINC000091322716 180134735 /nfs/dbraw/zinc/13/47/35/180134735.db2.gz BOVMVAYYSHBZLR-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N1CCCCCCC1 ZINC000091276208 180119866 /nfs/dbraw/zinc/11/98/66/180119866.db2.gz VKHPMUZYVBSRNU-AWEZNQCLSA-N 2 2 262.401 2.484 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293204 180124112 /nfs/dbraw/zinc/12/41/12/180124112.db2.gz ASXZYXTYRYHXNL-ZDUSSCGKSA-N 2 2 271.364 2.211 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091463328 180162654 /nfs/dbraw/zinc/16/26/54/180162654.db2.gz BJPXITPDADFXBS-KNHPQMQCSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091463328 180162655 /nfs/dbraw/zinc/16/26/55/180162655.db2.gz BJPXITPDADFXBS-KNHPQMQCSA-N 2 2 292.423 2.176 10 0 CEAELP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000091402342 180147075 /nfs/dbraw/zinc/14/70/75/180147075.db2.gz BHRORUUYYBLJEE-OAHLLOKOSA-N 2 2 275.440 2.178 10 0 CEAELP CC[NH2+][C@H](Cc1ncnn1CC)C(C)(C)[NH+]1CCCCC1 ZINC000091565295 180193746 /nfs/dbraw/zinc/19/37/46/180193746.db2.gz GPOCQVNIEYTIKK-CQSZACIVSA-N 2 2 293.459 2.083 10 0 CEAELP CC(C)([C@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCCC1 ZINC000091567804 180194767 /nfs/dbraw/zinc/19/47/67/180194767.db2.gz QSQUAJTZQHJMKO-CQSZACIVSA-N 2 2 276.428 2.188 10 0 CEAELP CC(C)([C@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCCC1 ZINC000091567804 180194768 /nfs/dbraw/zinc/19/47/68/180194768.db2.gz QSQUAJTZQHJMKO-CQSZACIVSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000091611851 180206750 /nfs/dbraw/zinc/20/67/50/180206750.db2.gz NJMUMDIROUTINL-GJZGRUSLSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000091612155 180207160 /nfs/dbraw/zinc/20/71/60/180207160.db2.gz ASQRBRQRTAVCLG-IRXDYDNUSA-N 2 2 276.424 2.447 10 0 CEAELP CC[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(C)(C)[NH+](C)C ZINC000091528957 180180614 /nfs/dbraw/zinc/18/06/14/180180614.db2.gz FCZSPNPCBAVCEL-GFCCVEGCSA-N 2 2 286.851 2.243 10 0 CEAELP CCC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091536125 180182233 /nfs/dbraw/zinc/18/22/33/180182233.db2.gz LRPVCPXNHYTBGT-OAHLLOKOSA-N 3 2 290.455 2.449 10 0 CEAELP C[NH2+][C@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643156 180214206 /nfs/dbraw/zinc/21/42/06/180214206.db2.gz JUCWWCFBFPNGPN-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP [NH3+][C@@H](CC1CCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643096 180214237 /nfs/dbraw/zinc/21/42/37/180214237.db2.gz PWVZDQNTLYVCFN-AWEZNQCLSA-N 2 2 252.402 2.149 10 0 CEAELP CC[NH2+][C@@H](Cc1ccn(C(CC)CC)n1)C[NH+](C)C ZINC000091719744 180234427 /nfs/dbraw/zinc/23/44/27/180234427.db2.gz DQLXKHRNZHJMQD-AWEZNQCLSA-N 2 2 266.433 2.326 10 0 CEAELP C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+](C)C ZINC000091719621 180234612 /nfs/dbraw/zinc/23/46/12/180234612.db2.gz ZOOPMDYQYUROET-GFCCVEGCSA-N 2 2 260.303 2.398 10 0 CEAELP CCC[NH2+][C@@H](Cc1c(Cl)c(C)nn1CC)C[NH+](C)C ZINC000091720044 180235186 /nfs/dbraw/zinc/23/51/86/180235186.db2.gz HSTHQQOHSSUUQB-LBPRGKRZSA-N 2 2 286.851 2.337 10 0 CEAELP C[NH2+][C@H](c1ccc(F)cc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721319 180237717 /nfs/dbraw/zinc/23/77/17/180237717.db2.gz XUQSUQRYLFSJLW-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1ccc(F)cc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721319 180237719 /nfs/dbraw/zinc/23/77/19/180237719.db2.gz XUQSUQRYLFSJLW-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1ccc(C)s1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721499 180239128 /nfs/dbraw/zinc/23/91/28/180239128.db2.gz HBWDTGQPNUQIRN-BZPMIXESSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@H](c1ccc(C)s1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721499 180239129 /nfs/dbraw/zinc/23/91/29/180239129.db2.gz HBWDTGQPNUQIRN-BZPMIXESSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@H](C)c1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091804413 180260212 /nfs/dbraw/zinc/26/02/12/180260212.db2.gz IHAXYVVGVYBTRE-GFCCVEGCSA-N 2 2 254.337 2.465 10 0 CEAELP C[N@@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092055898 180313743 /nfs/dbraw/zinc/31/37/43/180313743.db2.gz FSWKRALQXCLXNJ-INIZCTEOSA-N 2 2 275.396 2.029 10 0 CEAELP C[N@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092055898 180313744 /nfs/dbraw/zinc/31/37/44/180313744.db2.gz FSWKRALQXCLXNJ-INIZCTEOSA-N 2 2 275.396 2.029 10 0 CEAELP CCC[NH2+]Cc1cc(C)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054618 180314556 /nfs/dbraw/zinc/31/45/56/180314556.db2.gz UQWJEWPAKYOTNV-MRXNPFEDSA-N 2 2 292.423 2.204 10 0 CEAELP CCC[NH2+]Cc1cc(C)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054618 180314557 /nfs/dbraw/zinc/31/45/57/180314557.db2.gz UQWJEWPAKYOTNV-MRXNPFEDSA-N 2 2 292.423 2.204 10 0 CEAELP C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054424 180314680 /nfs/dbraw/zinc/31/46/80/180314680.db2.gz SEFSREZQGYWUGJ-WCQYABFASA-N 2 2 298.814 2.330 10 0 CEAELP C[NH2+][C@@H](C)c1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054424 180314681 /nfs/dbraw/zinc/31/46/81/180314681.db2.gz SEFSREZQGYWUGJ-WCQYABFASA-N 2 2 298.814 2.330 10 0 CEAELP Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC000091994160 180301429 /nfs/dbraw/zinc/30/14/29/180301429.db2.gz ZJHBQIVWUYZJRG-JSGCOSHPSA-N 2 2 272.352 2.176 10 0 CEAELP C[C@H]1CN([C@]2(C[NH3+])CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320639 /nfs/dbraw/zinc/32/06/39/180320639.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 2 2 287.451 2.178 10 0 CEAELP C[C@H]1CN([C@]2(C[NH3+])CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320643 /nfs/dbraw/zinc/32/06/43/180320643.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 2 2 287.451 2.178 10 0 CEAELP C[C@H]1C[N@@H+]([C@]2(C[NH3+])CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320645 /nfs/dbraw/zinc/32/06/45/180320645.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 2 2 287.451 2.178 10 0 CEAELP C[C@H]1C[N@H+]([C@]2(C[NH3+])CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000092083575 180320647 /nfs/dbraw/zinc/32/06/47/180320647.db2.gz FZSGOXIZKKHLGJ-JZXOWHBKSA-N 2 2 287.451 2.178 10 0 CEAELP CC[N@H+](C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275452 180356635 /nfs/dbraw/zinc/35/66/35/180356635.db2.gz VABRHHCJAIGDCA-GFCCVEGCSA-N 2 2 250.411 2.417 10 0 CEAELP CC[N@@H+](C)CC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092275452 180356636 /nfs/dbraw/zinc/35/66/36/180356636.db2.gz VABRHHCJAIGDCA-GFCCVEGCSA-N 2 2 250.411 2.417 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000105897623 186086687 /nfs/dbraw/zinc/08/66/87/186086687.db2.gz OKNGMJYLECNECJ-CYBMUJFWSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000105897623 186086689 /nfs/dbraw/zinc/08/66/89/186086689.db2.gz OKNGMJYLECNECJ-CYBMUJFWSA-N 2 2 273.384 2.016 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366944 180369468 /nfs/dbraw/zinc/36/94/68/180369468.db2.gz BVPGTUSOHTZSSY-CMPLNLGQSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366944 180369470 /nfs/dbraw/zinc/36/94/70/180369470.db2.gz BVPGTUSOHTZSSY-CMPLNLGQSA-N 2 2 265.788 2.165 10 0 CEAELP CNc1cccc(CN2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000092370194 180369763 /nfs/dbraw/zinc/36/97/63/180369763.db2.gz UKNUACIVZXFLOH-UHFFFAOYSA-N 2 2 274.412 2.184 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417270 180381168 /nfs/dbraw/zinc/38/11/68/180381168.db2.gz MGZCCOJAHSSJQF-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417270 180381169 /nfs/dbraw/zinc/38/11/69/180381169.db2.gz MGZCCOJAHSSJQF-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP Nc1cc[nH+]c(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092419389 180381920 /nfs/dbraw/zinc/38/19/20/180381920.db2.gz ANVHTHXWPJXYMT-VIFPVBQESA-N 2 2 259.275 2.438 10 0 CEAELP Nc1cc[nH+]c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000092419389 180381921 /nfs/dbraw/zinc/38/19/21/180381921.db2.gz ANVHTHXWPJXYMT-VIFPVBQESA-N 2 2 259.275 2.438 10 0 CEAELP CCN(Cc1cn2cc(C)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000110944099 186335744 /nfs/dbraw/zinc/33/57/44/186335744.db2.gz XCJSKFPVNFIDJA-HNNXBMFYSA-N 2 2 272.396 2.217 10 0 CEAELP C[C@@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@@H+]1C ZINC000110751020 186321280 /nfs/dbraw/zinc/32/12/80/186321280.db2.gz VEHXOPGPQIWKGS-GFCCVEGCSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@H+]1C ZINC000110751020 186321282 /nfs/dbraw/zinc/32/12/82/186321282.db2.gz VEHXOPGPQIWKGS-GFCCVEGCSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@@H]1C[N@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110751020 186321284 /nfs/dbraw/zinc/32/12/84/186321284.db2.gz VEHXOPGPQIWKGS-GFCCVEGCSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110751020 186321285 /nfs/dbraw/zinc/32/12/85/186321285.db2.gz VEHXOPGPQIWKGS-GFCCVEGCSA-N 2 2 273.380 2.027 10 0 CEAELP CCC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCC[NH2+]C1 ZINC000111043663 186347440 /nfs/dbraw/zinc/34/74/40/186347440.db2.gz DRQIFZGMHUJQDI-OAHLLOKOSA-N 2 2 261.369 2.498 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158743 186362112 /nfs/dbraw/zinc/36/21/12/186362112.db2.gz OWKZUWACOADUPB-SOUVJXGZSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158743 186362114 /nfs/dbraw/zinc/36/21/14/186362114.db2.gz OWKZUWACOADUPB-SOUVJXGZSA-N 2 2 254.418 2.252 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CC1CCOCC1 ZINC000111156024 186362728 /nfs/dbraw/zinc/36/27/28/186362728.db2.gz NECANTIMDPTNJT-HZPDHXFCSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CC1CCOCC1 ZINC000111156024 186362730 /nfs/dbraw/zinc/36/27/30/186362730.db2.gz NECANTIMDPTNJT-HZPDHXFCSA-N 2 2 277.412 2.218 10 0 CEAELP CCOCC[N@H+](CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000111123643 186355547 /nfs/dbraw/zinc/35/55/47/186355547.db2.gz LXNQWLPIOWJXEO-UHFFFAOYSA-N 2 2 285.457 2.500 10 0 CEAELP CCOCC[N@@H+](CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000111123643 186355549 /nfs/dbraw/zinc/35/55/49/186355549.db2.gz LXNQWLPIOWJXEO-UHFFFAOYSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148241 186359288 /nfs/dbraw/zinc/35/92/88/186359288.db2.gz LBGXHPFTVWCDQM-HOTGVXAUSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148241 186359289 /nfs/dbraw/zinc/35/92/89/186359289.db2.gz LBGXHPFTVWCDQM-HOTGVXAUSA-N 3 2 269.477 2.428 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000111150442 186359707 /nfs/dbraw/zinc/35/97/07/186359707.db2.gz OEIDINXIOWHNSR-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000111150442 186359708 /nfs/dbraw/zinc/35/97/08/186359708.db2.gz OEIDINXIOWHNSR-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154663 186360339 /nfs/dbraw/zinc/36/03/39/186360339.db2.gz NGIIEKXXMQNOAP-QWHCGFSZSA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154663 186360340 /nfs/dbraw/zinc/36/03/40/186360340.db2.gz NGIIEKXXMQNOAP-QWHCGFSZSA-N 2 2 268.426 2.415 10 0 CEAELP CC[NH2+]C[C@@]1(C[N@H+](C)Cc2ccco2)CCCOC1 ZINC000111325134 186399208 /nfs/dbraw/zinc/39/92/08/186399208.db2.gz WCXLZPURKKHCFR-OAHLLOKOSA-N 2 2 266.385 2.118 10 0 CEAELP CC[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccco2)CCCOC1 ZINC000111325134 186399210 /nfs/dbraw/zinc/39/92/10/186399210.db2.gz WCXLZPURKKHCFR-OAHLLOKOSA-N 2 2 266.385 2.118 10 0 CEAELP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455810 363084528 /nfs/dbraw/zinc/08/45/28/363084528.db2.gz BVQRSDHJKGCYPB-CYBMUJFWSA-N 2 2 286.354 2.383 10 0 CEAELP C[C@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C[NH3+] ZINC000630572673 351788898 /nfs/dbraw/zinc/78/88/98/351788898.db2.gz RCABBCVHJZGTSB-DTWKUNHWSA-N 2 2 259.275 2.131 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325708 366639588 /nfs/dbraw/zinc/63/95/88/366639588.db2.gz VLCAVSGWBWPFQG-CJNGLKHVSA-N 2 2 280.387 2.323 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000151325266 366639898 /nfs/dbraw/zinc/63/98/98/366639898.db2.gz QTMXPIUBFOVSJS-BBRMVZONSA-N 2 2 280.387 2.323 10 0 CEAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000182100665 189314164 /nfs/dbraw/zinc/31/41/64/189314164.db2.gz PGQFHVYIGAOTAD-IINYFYTJSA-N 2 2 293.411 2.039 10 0 CEAELP Cc1cccn2c(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c[nH+]c12 ZINC000093437531 364180317 /nfs/dbraw/zinc/18/03/17/364180317.db2.gz GHXNWMDFEFMSMH-GJZGRUSLSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cccn2c(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c[nH+]c12 ZINC000093437531 364180324 /nfs/dbraw/zinc/18/03/24/364180324.db2.gz GHXNWMDFEFMSMH-GJZGRUSLSA-N 2 2 284.407 2.311 10 0 CEAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095072294 364332233 /nfs/dbraw/zinc/33/22/33/364332233.db2.gz MAIYHRUBZZNRPA-BDAKNGLRSA-N 2 2 275.183 2.143 10 0 CEAELP [NH3+]C[C@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000095072559 364332262 /nfs/dbraw/zinc/33/22/62/364332262.db2.gz RCZTWVCNJKWONX-LLVKDONJSA-N 2 2 284.201 2.015 10 0 CEAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000095072559 364332263 /nfs/dbraw/zinc/33/22/63/364332263.db2.gz RCZTWVCNJKWONX-LLVKDONJSA-N 2 2 284.201 2.015 10 0 CEAELP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000631839174 367578469 /nfs/dbraw/zinc/57/84/69/367578469.db2.gz BKAVHNCATYWCKA-MNOVXSKESA-N 2 2 267.442 2.467 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000631839174 367578478 /nfs/dbraw/zinc/57/84/78/367578478.db2.gz BKAVHNCATYWCKA-MNOVXSKESA-N 2 2 267.442 2.467 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843628 367585496 /nfs/dbraw/zinc/58/54/96/367585496.db2.gz QRZYJFMJCHEKDY-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843628 367585501 /nfs/dbraw/zinc/58/55/01/367585501.db2.gz QRZYJFMJCHEKDY-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP CSCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000172433832 367741976 /nfs/dbraw/zinc/74/19/76/367741976.db2.gz FTRAGHXPILSZRI-LBPRGKRZSA-N 2 2 251.399 2.178 10 0 CEAELP CSCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000172433832 367741981 /nfs/dbraw/zinc/74/19/81/367741981.db2.gz FTRAGHXPILSZRI-LBPRGKRZSA-N 2 2 251.399 2.178 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1OC ZINC000358014243 370870375 /nfs/dbraw/zinc/87/03/75/370870375.db2.gz KHKFPUTXVBJTRG-MBNYWOFBSA-N 2 2 278.396 2.305 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1OC ZINC000358014243 370870380 /nfs/dbraw/zinc/87/03/80/370870380.db2.gz KHKFPUTXVBJTRG-MBNYWOFBSA-N 2 2 278.396 2.305 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000190472664 369627605 /nfs/dbraw/zinc/62/76/05/369627605.db2.gz QRBWBUKUANOYOC-MRXNPFEDSA-N 2 2 259.397 2.245 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CC2)C1 ZINC000190472664 369627607 /nfs/dbraw/zinc/62/76/07/369627607.db2.gz QRBWBUKUANOYOC-MRXNPFEDSA-N 2 2 259.397 2.245 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2CC2)C1 ZINC000190472664 369627610 /nfs/dbraw/zinc/62/76/10/369627610.db2.gz QRBWBUKUANOYOC-MRXNPFEDSA-N 2 2 259.397 2.245 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000190472664 369627613 /nfs/dbraw/zinc/62/76/13/369627613.db2.gz QRBWBUKUANOYOC-MRXNPFEDSA-N 2 2 259.397 2.245 10 0 CEAELP C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670419 370487574 /nfs/dbraw/zinc/48/75/74/370487574.db2.gz LXIDMBGKLODWEF-GFCCVEGCSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670419 370487576 /nfs/dbraw/zinc/48/75/76/370487576.db2.gz LXIDMBGKLODWEF-GFCCVEGCSA-N 2 2 295.814 2.352 10 0 CEAELP Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000246849813 371020012 /nfs/dbraw/zinc/02/00/12/371020012.db2.gz DKEAUHDIQBECNA-AWEZNQCLSA-N 2 2 272.396 2.337 10 0 CEAELP Cc1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000246849813 371020017 /nfs/dbraw/zinc/02/00/17/371020017.db2.gz DKEAUHDIQBECNA-AWEZNQCLSA-N 2 2 272.396 2.337 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246996128 371044055 /nfs/dbraw/zinc/04/40/55/371044055.db2.gz KKGVJRZOWAWJOR-ZBFHGGJFSA-N 2 2 299.422 2.402 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000246996128 371044057 /nfs/dbraw/zinc/04/40/57/371044057.db2.gz KKGVJRZOWAWJOR-ZBFHGGJFSA-N 2 2 299.422 2.402 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000247068233 371060285 /nfs/dbraw/zinc/06/02/85/371060285.db2.gz OLTIEDXXCDIWRW-DLBZAZTESA-N 2 2 285.391 2.390 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000247068233 371060289 /nfs/dbraw/zinc/06/02/89/371060289.db2.gz OLTIEDXXCDIWRW-DLBZAZTESA-N 2 2 285.391 2.390 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261568201 371652479 /nfs/dbraw/zinc/65/24/79/371652479.db2.gz IZWJGLDQUHKSEN-CYZMBNFOSA-N 2 2 265.426 2.265 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cs1 ZINC000261568201 371652487 /nfs/dbraw/zinc/65/24/87/371652487.db2.gz IZWJGLDQUHKSEN-CYZMBNFOSA-N 2 2 265.426 2.265 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662484 371695815 /nfs/dbraw/zinc/69/58/15/371695815.db2.gz FFOBKGVELHJXLS-KGYLQXTDSA-N 2 2 273.336 2.104 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662484 371695822 /nfs/dbraw/zinc/69/58/22/371695822.db2.gz FFOBKGVELHJXLS-KGYLQXTDSA-N 2 2 273.336 2.104 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000261962776 371786290 /nfs/dbraw/zinc/78/62/90/371786290.db2.gz HMVBRYMNRWSDQK-XJKSGUPXSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000261962776 371786295 /nfs/dbraw/zinc/78/62/95/371786295.db2.gz HMVBRYMNRWSDQK-XJKSGUPXSA-N 2 2 284.407 2.175 10 0 CEAELP C[C@H]1C[N@H+](Cc2noc(C[NH3+])n2)CC[C@H]1c1ccccc1 ZINC000262185032 371835558 /nfs/dbraw/zinc/83/55/58/371835558.db2.gz JDKAMJSCWWYDGQ-GXTWGEPZSA-N 2 2 286.379 2.154 10 0 CEAELP C[C@H]1C[N@@H+](Cc2noc(C[NH3+])n2)CC[C@H]1c1ccccc1 ZINC000262185032 371835561 /nfs/dbraw/zinc/83/55/61/371835561.db2.gz JDKAMJSCWWYDGQ-GXTWGEPZSA-N 2 2 286.379 2.154 10 0 CEAELP C[C@H](CC[NH2+]C1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379643120 375157146 /nfs/dbraw/zinc/15/71/46/375157146.db2.gz AXODUMRPBQFVSP-OAHLLOKOSA-N 3 2 275.440 2.239 10 0 CEAELP C[C@H](CC[NH2+]C1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379643120 375157150 /nfs/dbraw/zinc/15/71/50/375157150.db2.gz AXODUMRPBQFVSP-OAHLLOKOSA-N 3 2 275.440 2.239 10 0 CEAELP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000562959198 377036535 /nfs/dbraw/zinc/03/65/35/377036535.db2.gz CNUZTRWATRFGPU-GJZGRUSLSA-N 3 2 267.461 2.229 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887088 322351868 /nfs/dbraw/zinc/35/18/68/322351868.db2.gz AESNDXGORFSZBG-BMFZPTHFSA-N 3 2 269.477 2.331 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnc3ccccn23)c[nH+]1 ZINC000188409887 542321391 /nfs/dbraw/zinc/32/13/91/542321391.db2.gz MPGMKOOMGCZAPX-CQSZACIVSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cnc3ccccn23)c[nH+]1 ZINC000188409887 542321394 /nfs/dbraw/zinc/32/13/94/542321394.db2.gz MPGMKOOMGCZAPX-CQSZACIVSA-N 2 2 281.363 2.195 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[C@@H]1CCC[C@@]1([NH3+])CO ZINC000093618627 184696817 /nfs/dbraw/zinc/69/68/17/184696817.db2.gz RSVILJFIQFOVER-XJKSGUPXSA-N 2 2 273.380 2.225 10 0 CEAELP C[NH+](C)c1ccc(N2CC[NH2+][C@](C)(C3CC3)C2)cc1 ZINC000086128224 135039359 /nfs/dbraw/zinc/03/93/59/135039359.db2.gz JOWPIRAEOCZISL-INIZCTEOSA-N 2 2 259.397 2.331 10 0 CEAELP OC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089490407 135059178 /nfs/dbraw/zinc/05/91/78/135059178.db2.gz XUGIMVFFTAHACC-HUUCEWRRSA-N 2 2 289.423 2.049 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000091402491 135068869 /nfs/dbraw/zinc/06/88/69/135068869.db2.gz VSTCYVCZJRDJKD-HNNXBMFYSA-N 2 2 290.455 2.228 10 0 CEAELP Cc1ccc2cc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)ccc2n1 ZINC000261571954 394602814 /nfs/dbraw/zinc/60/28/14/394602814.db2.gz SHGLOCLVRYAVET-XHDPSFHLSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)ccc2n1 ZINC000261571954 394602817 /nfs/dbraw/zinc/60/28/17/394602817.db2.gz SHGLOCLVRYAVET-XHDPSFHLSA-N 2 2 255.365 2.322 10 0 CEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125008721 394841404 /nfs/dbraw/zinc/84/14/04/394841404.db2.gz KSORZLTWCBFTQW-ILXRZTDVSA-N 2 2 252.402 2.114 10 0 CEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125008721 394841410 /nfs/dbraw/zinc/84/14/10/394841410.db2.gz KSORZLTWCBFTQW-ILXRZTDVSA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125008721 394841416 /nfs/dbraw/zinc/84/14/16/394841416.db2.gz KSORZLTWCBFTQW-ILXRZTDVSA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000125008721 394841421 /nfs/dbraw/zinc/84/14/21/394841421.db2.gz KSORZLTWCBFTQW-ILXRZTDVSA-N 2 2 252.402 2.114 10 0 CEAELP C[C@@H]1CCC[C@H](C[N@@H+]2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000133399412 394951343 /nfs/dbraw/zinc/95/13/43/394951343.db2.gz XDXPYPGKKUCXHD-QLFBSQMISA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCC[C@H](C[N@H+]2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000133399412 394951345 /nfs/dbraw/zinc/95/13/45/394951345.db2.gz XDXPYPGKKUCXHD-QLFBSQMISA-N 2 2 254.418 2.075 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000135039078 394962910 /nfs/dbraw/zinc/96/29/10/394962910.db2.gz RIJMOAGJEVCXGH-LBPRGKRZSA-N 2 2 258.369 2.483 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000135039078 394962914 /nfs/dbraw/zinc/96/29/14/394962914.db2.gz RIJMOAGJEVCXGH-LBPRGKRZSA-N 2 2 258.369 2.483 10 0 CEAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000384380044 395192728 /nfs/dbraw/zinc/19/27/28/395192728.db2.gz KTYQLBHSKMCZEL-KRWDZBQOSA-N 2 2 274.408 2.110 10 0 CEAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000384380044 395192731 /nfs/dbraw/zinc/19/27/31/395192731.db2.gz KTYQLBHSKMCZEL-KRWDZBQOSA-N 2 2 274.408 2.110 10 0 CEAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccc2c(c1)OCCO2 ZINC000400400973 395251817 /nfs/dbraw/zinc/25/18/17/395251817.db2.gz KRGHFPXBWRNJSW-SGMGOOAPSA-N 2 2 276.380 2.249 10 0 CEAELP CCOCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250229 395463144 /nfs/dbraw/zinc/46/31/44/395463144.db2.gz GVRVOWOZDKAWTC-AWEZNQCLSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250229 395463147 /nfs/dbraw/zinc/46/31/47/395463147.db2.gz GVRVOWOZDKAWTC-AWEZNQCLSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250229 395463151 /nfs/dbraw/zinc/46/31/51/395463151.db2.gz GVRVOWOZDKAWTC-AWEZNQCLSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250229 395463155 /nfs/dbraw/zinc/46/31/55/395463155.db2.gz GVRVOWOZDKAWTC-AWEZNQCLSA-N 2 2 297.468 2.242 10 0 CEAELP [NH3+]C1CCC(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000037627227 400117721 /nfs/dbraw/zinc/11/77/21/400117721.db2.gz DUFNNRQYRRGBNH-UHFFFAOYSA-N 2 2 284.363 2.328 10 0 CEAELP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)c1 ZINC000395264679 400555061 /nfs/dbraw/zinc/55/50/61/400555061.db2.gz LHHVBGCZFLRUEM-HNNXBMFYSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000395264679 400555063 /nfs/dbraw/zinc/55/50/63/400555063.db2.gz LHHVBGCZFLRUEM-HNNXBMFYSA-N 2 2 282.815 2.195 10 0 CEAELP C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862817 165262559 /nfs/dbraw/zinc/26/25/59/165262559.db2.gz HDCNHIJEYGNDNG-UKRRQHHQSA-N 2 2 298.390 2.192 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[NH2+]CCC[NH+](C)C ZINC000035154796 172016900 /nfs/dbraw/zinc/01/69/00/172016900.db2.gz IVUAZXVUEGNXBB-UHFFFAOYSA-N 2 2 283.803 2.128 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000037167080 173001781 /nfs/dbraw/zinc/00/17/81/173001781.db2.gz NKBPZEPYKMFEPM-OAHLLOKOSA-N 2 2 284.444 2.238 10 0 CEAELP CCCCOC(=O)C[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000037394134 173174412 /nfs/dbraw/zinc/17/44/12/173174412.db2.gz XDCBICWVVSAIRO-CQSZACIVSA-N 2 2 272.433 2.430 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000040621867 174355147 /nfs/dbraw/zinc/35/51/47/174355147.db2.gz SPKPZKKMUKHOBO-IUODEOHRSA-N 2 2 276.380 2.146 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000040621867 174355149 /nfs/dbraw/zinc/35/51/49/174355149.db2.gz SPKPZKKMUKHOBO-IUODEOHRSA-N 2 2 276.380 2.146 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C1CC(c2ccccc2)C1 ZINC000040639077 174363200 /nfs/dbraw/zinc/36/32/00/174363200.db2.gz DDPSMTKVJYQNPK-UHFFFAOYSA-N 2 2 255.365 2.498 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040672700 174371109 /nfs/dbraw/zinc/37/11/09/174371109.db2.gz ZTKSVXOGDTWRAN-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672700 174371111 /nfs/dbraw/zinc/37/11/11/174371111.db2.gz ZTKSVXOGDTWRAN-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP Cc1c(C)n([C@H]2CCC[N@@H+](C)C2)c2nc(C)[nH+]c(N)c12 ZINC000040716087 174383744 /nfs/dbraw/zinc/38/37/44/174383744.db2.gz XERNSVIQSCOGLN-LBPRGKRZSA-N 2 2 273.384 2.205 10 0 CEAELP Cc1c(C)n([C@H]2CCC[N@H+](C)C2)c2nc(C)[nH+]c(N)c12 ZINC000040716087 174383745 /nfs/dbraw/zinc/38/37/45/174383745.db2.gz XERNSVIQSCOGLN-LBPRGKRZSA-N 2 2 273.384 2.205 10 0 CEAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000040769251 174399514 /nfs/dbraw/zinc/39/95/14/174399514.db2.gz BKCVBIJUJDSNTJ-PMRDEQMMSA-N 3 2 290.455 2.370 10 0 CEAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000040769251 174399515 /nfs/dbraw/zinc/39/95/15/174399515.db2.gz BKCVBIJUJDSNTJ-PMRDEQMMSA-N 3 2 290.455 2.370 10 0 CEAELP c1[nH+]c2n(c1C[NH2+][C@@H]1CCOc3ccccc31)CCC2 ZINC000657290872 414836720 /nfs/dbraw/zinc/83/67/20/414836720.db2.gz UVZXSYOJTNDFPZ-CQSZACIVSA-N 2 2 269.348 2.443 10 0 CEAELP Cc1c[nH]c(CN[C@@H](C)C[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000657429712 414931357 /nfs/dbraw/zinc/93/13/57/414931357.db2.gz ULTFYZLZFMIKLL-AWEZNQCLSA-N 2 2 272.396 2.328 10 0 CEAELP Cc1c[nH]c(CN[C@@H](C)C[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000657429712 414931361 /nfs/dbraw/zinc/93/13/61/414931361.db2.gz ULTFYZLZFMIKLL-AWEZNQCLSA-N 2 2 272.396 2.328 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCC1 ZINC000043336149 175011656 /nfs/dbraw/zinc/01/16/56/175011656.db2.gz HHBJEPIOAIPKGD-DZGCQCFKSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCC1 ZINC000043336149 175011657 /nfs/dbraw/zinc/01/16/57/175011657.db2.gz HHBJEPIOAIPKGD-DZGCQCFKSA-N 2 2 266.385 2.295 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccccn2)[C@@H]([NH3+])CC)CC1 ZINC000043339695 175013958 /nfs/dbraw/zinc/01/39/58/175013958.db2.gz FOLUUDUGQFUADP-GOEBONIOSA-N 2 2 277.412 2.361 10 0 CEAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348488 175018588 /nfs/dbraw/zinc/01/85/88/175018588.db2.gz UPBKWCKSVCWFBX-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348488 175018590 /nfs/dbraw/zinc/01/85/90/175018590.db2.gz UPBKWCKSVCWFBX-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354608 175022423 /nfs/dbraw/zinc/02/24/23/175022423.db2.gz VWEMRSTVOURIAY-HZPDHXFCSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354608 175022424 /nfs/dbraw/zinc/02/24/24/175022424.db2.gz VWEMRSTVOURIAY-HZPDHXFCSA-N 2 2 279.428 2.343 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCCOC)CCOC ZINC000043365047 175026759 /nfs/dbraw/zinc/02/67/59/175026759.db2.gz QZYWNQLVWRWZSP-ZBFHGGJFSA-N 2 2 298.427 2.351 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCCOC)CCOC ZINC000043365047 175026760 /nfs/dbraw/zinc/02/67/60/175026760.db2.gz QZYWNQLVWRWZSP-ZBFHGGJFSA-N 2 2 298.427 2.351 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043394070 175034726 /nfs/dbraw/zinc/03/47/26/175034726.db2.gz QCESUBBSNPZWEC-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCO[C@@H](CC)C1 ZINC000043893033 175118422 /nfs/dbraw/zinc/11/84/22/175118422.db2.gz DLTLUGLIRKSFEB-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCO[C@@H](CC)C1 ZINC000043893033 175118424 /nfs/dbraw/zinc/11/84/24/175118424.db2.gz DLTLUGLIRKSFEB-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898354 175120899 /nfs/dbraw/zinc/12/08/99/175120899.db2.gz OSAJRWUXDROQBR-YUELXQCFSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898354 175120900 /nfs/dbraw/zinc/12/09/00/175120900.db2.gz OSAJRWUXDROQBR-YUELXQCFSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898147 175121070 /nfs/dbraw/zinc/12/10/70/175121070.db2.gz ZBZIASGUDIVLPC-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898147 175121072 /nfs/dbraw/zinc/12/10/72/175121072.db2.gz ZBZIASGUDIVLPC-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966035 175126963 /nfs/dbraw/zinc/12/69/63/175126963.db2.gz FTZVJIFIQSVXSN-BARDWOONSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966035 175126965 /nfs/dbraw/zinc/12/69/65/175126965.db2.gz FTZVJIFIQSVXSN-BARDWOONSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)CC1CCCCC1 ZINC000043968286 175129709 /nfs/dbraw/zinc/12/97/09/175129709.db2.gz BLOUQTBJRFTCFU-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968286 175129711 /nfs/dbraw/zinc/12/97/11/175129711.db2.gz BLOUQTBJRFTCFU-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000044746747 175242468 /nfs/dbraw/zinc/24/24/68/175242468.db2.gz UCDOBEQVUFGYQA-IAGOWNOFSA-N 2 2 272.392 2.453 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](Cc1ccsc1)C1CC1 ZINC000045043485 175295452 /nfs/dbraw/zinc/29/54/52/175295452.db2.gz FOSKWFJWOYKQTE-AWEZNQCLSA-N 2 2 268.426 2.466 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](Cc1ccsc1)C1CC1 ZINC000045043485 175295453 /nfs/dbraw/zinc/29/54/53/175295453.db2.gz FOSKWFJWOYKQTE-AWEZNQCLSA-N 2 2 268.426 2.466 10 0 CEAELP CO[C@@H]1C[NH2+][C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089774 175304685 /nfs/dbraw/zinc/30/46/85/175304685.db2.gz RLPABYQAXXWJLH-SOUVJXGZSA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@@H]1C[NH2+][C@H](C[N@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089774 175304687 /nfs/dbraw/zinc/30/46/87/175304687.db2.gz RLPABYQAXXWJLH-SOUVJXGZSA-N 2 2 252.402 2.018 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1C ZINC000045169213 175320104 /nfs/dbraw/zinc/32/01/04/175320104.db2.gz DXWVEDGHEDWIDL-LBPRGKRZSA-N 2 2 275.400 2.457 10 0 CEAELP CC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378341 175367799 /nfs/dbraw/zinc/36/77/99/175367799.db2.gz AINUZQZJLMNAQR-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145253 176041993 /nfs/dbraw/zinc/04/19/93/176041993.db2.gz BAIJJDUYHMTYLK-OAHLLOKOSA-N 2 2 295.471 2.097 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C(C)C)C2CCCCC2)C1 ZINC000071145253 176041994 /nfs/dbraw/zinc/04/19/94/176041994.db2.gz BAIJJDUYHMTYLK-OAHLLOKOSA-N 2 2 295.471 2.097 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191427 176069430 /nfs/dbraw/zinc/06/94/30/176069430.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191427 176069431 /nfs/dbraw/zinc/06/94/31/176069431.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191427 176069432 /nfs/dbraw/zinc/06/94/32/176069432.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191427 176069435 /nfs/dbraw/zinc/06/94/35/176069435.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@H]([NH3+])Cc1ccccc1 ZINC000071213758 176085138 /nfs/dbraw/zinc/08/51/38/176085138.db2.gz WGGICXOXYHJKET-CYBMUJFWSA-N 2 2 261.394 2.111 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071300576 176113788 /nfs/dbraw/zinc/11/37/88/176113788.db2.gz BCGVRKOSVJVPJD-WBMJQRKESA-N 2 2 271.364 2.294 10 0 CEAELP CC(C)C[C@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071351483 176135047 /nfs/dbraw/zinc/13/50/47/176135047.db2.gz XWTHUZHCJPQPEY-HNNXBMFYSA-N 2 2 278.444 2.372 10 0 CEAELP CCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C(C)C ZINC000071358467 176137556 /nfs/dbraw/zinc/13/75/56/176137556.db2.gz WOZVZPUNLOHMDS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C(C)C ZINC000071358467 176137557 /nfs/dbraw/zinc/13/75/57/176137557.db2.gz WOZVZPUNLOHMDS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCc1ccc(OC)c(Cn2c[nH+]c(CC[NH3+])c2)c1 ZINC000071585439 176211017 /nfs/dbraw/zinc/21/10/17/176211017.db2.gz IYEWRLAFDVZVKN-UHFFFAOYSA-N 2 2 259.353 2.004 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CC2)cc1Cl ZINC000077609415 177285515 /nfs/dbraw/zinc/28/55/15/177285515.db2.gz WSGYZHQRGRKZOC-GFCCVEGCSA-N 2 2 254.761 2.443 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CC2)cc1Cl ZINC000077609415 177285517 /nfs/dbraw/zinc/28/55/17/177285517.db2.gz WSGYZHQRGRKZOC-GFCCVEGCSA-N 2 2 254.761 2.443 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000078005884 177316773 /nfs/dbraw/zinc/31/67/73/177316773.db2.gz VVNDOPAMBYMHJK-UHFFFAOYSA-N 2 2 285.391 2.466 10 0 CEAELP CCN(C(=O)C[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505536 177347959 /nfs/dbraw/zinc/34/79/59/177347959.db2.gz FRFCJMZMWJMZFL-LSDHHAIUSA-N 2 2 289.423 2.099 10 0 CEAELP CCN(C(=O)C[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C)c1ccccc1 ZINC000078505536 177347960 /nfs/dbraw/zinc/34/79/60/177347960.db2.gz FRFCJMZMWJMZFL-LSDHHAIUSA-N 2 2 289.423 2.099 10 0 CEAELP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922640 270802287 /nfs/dbraw/zinc/80/22/87/270802287.db2.gz QJPUOPMJBOVFBD-PWSUYJOCSA-N 2 2 254.761 2.059 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412325 274244421 /nfs/dbraw/zinc/24/44/21/274244421.db2.gz UKNDUZSHAZJHDC-WBVHZDCISA-N 3 2 287.451 2.239 10 0 CEAELP CCCC(=O)N[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191780861 280175210 /nfs/dbraw/zinc/17/52/10/280175210.db2.gz JZPORWFFLJOTIZ-HNNXBMFYSA-N 2 2 283.460 2.099 10 0 CEAELP CCCC(=O)N[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191780861 280175216 /nfs/dbraw/zinc/17/52/16/280175216.db2.gz JZPORWFFLJOTIZ-HNNXBMFYSA-N 2 2 283.460 2.099 10 0 CEAELP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246510329 280297802 /nfs/dbraw/zinc/29/78/02/280297802.db2.gz ZXMZZJJPKGDULD-NWDGAFQWSA-N 2 2 283.803 2.016 10 0 CEAELP CC[C@@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246510329 280297805 /nfs/dbraw/zinc/29/78/05/280297805.db2.gz ZXMZZJJPKGDULD-NWDGAFQWSA-N 2 2 283.803 2.016 10 0 CEAELP C[NH+](C)C[C@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000128228743 289218265 /nfs/dbraw/zinc/21/82/65/289218265.db2.gz UKBWYYKQVUZIBL-HNNXBMFYSA-N 2 2 254.418 2.219 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000128228743 289218266 /nfs/dbraw/zinc/21/82/66/289218266.db2.gz UKBWYYKQVUZIBL-HNNXBMFYSA-N 2 2 254.418 2.219 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842130 294190828 /nfs/dbraw/zinc/19/08/28/294190828.db2.gz CLMAELFXFBXVLJ-RWMBFGLXSA-N 2 2 270.380 2.137 10 0 CEAELP [NH3+]CC[NH+]1CCC([C@@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000262900227 295233097 /nfs/dbraw/zinc/23/30/97/295233097.db2.gz DNMDXVXCSPQYPF-CQSZACIVSA-N 2 2 293.798 2.046 10 0 CEAELP Cc1nnsc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384242465 321851172 /nfs/dbraw/zinc/85/11/72/321851172.db2.gz JMQPDKHDKQWLTG-CMPLNLGQSA-N 2 2 268.430 2.247 10 0 CEAELP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419962 519744149 /nfs/dbraw/zinc/74/41/49/519744149.db2.gz QBXZZKPBKOFVPR-CQSZACIVSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[NH2+]CC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419962 519744150 /nfs/dbraw/zinc/74/41/50/519744150.db2.gz QBXZZKPBKOFVPR-CQSZACIVSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1CCOC[C@@H]1CC ZINC000052481429 519958907 /nfs/dbraw/zinc/95/89/07/519958907.db2.gz BUHIGJCXDGZJHR-AWEZNQCLSA-N 2 2 266.385 2.390 10 0 CEAELP CC(C)[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000052573134 519726189 /nfs/dbraw/zinc/72/61/89/519726189.db2.gz WKDXHVDMCZEHKW-HOTGVXAUSA-N 2 2 293.411 2.316 10 0 CEAELP CC(C)[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)on1 ZINC000052573134 519726191 /nfs/dbraw/zinc/72/61/91/519726191.db2.gz WKDXHVDMCZEHKW-HOTGVXAUSA-N 2 2 293.411 2.316 10 0 CEAELP CCC[NH2+]C1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000049310448 519906619 /nfs/dbraw/zinc/90/66/19/519906619.db2.gz XZDVAEDHPMQISX-UHFFFAOYSA-N 2 2 268.323 2.029 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061231021 519941950 /nfs/dbraw/zinc/94/19/50/519941950.db2.gz AKPATLQJBSXGAD-GFCCVEGCSA-N 2 2 272.352 2.056 10 0 CEAELP CCC[NH2+]Cc1c(C)nn(Cc2[nH+]ccn2CC)c1C ZINC000054743858 519943189 /nfs/dbraw/zinc/94/31/89/519943189.db2.gz PTQRYIFINUMAFU-UHFFFAOYSA-N 2 2 275.400 2.264 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCOC[C@@H]1CC ZINC000052481429 519958902 /nfs/dbraw/zinc/95/89/02/519958902.db2.gz BUHIGJCXDGZJHR-AWEZNQCLSA-N 2 2 266.385 2.390 10 0 CEAELP CC[NH2+]C[C@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000061219060 519971270 /nfs/dbraw/zinc/97/12/70/519971270.db2.gz BUVDVWBZIPCONT-JTQLQIEISA-N 2 2 275.352 2.437 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000061270083 520071165 /nfs/dbraw/zinc/07/11/65/520071165.db2.gz LKYYNBVQQOKTIJ-ZDUSSCGKSA-N 2 2 286.379 2.258 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069237436 520968766 /nfs/dbraw/zinc/96/87/66/520968766.db2.gz XWEPSEQZGMRKAI-HNNXBMFYSA-N 2 2 260.381 2.353 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000069237436 520968771 /nfs/dbraw/zinc/96/87/71/520968771.db2.gz XWEPSEQZGMRKAI-HNNXBMFYSA-N 2 2 260.381 2.353 10 0 CEAELP CCCC[C@@H](CC)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068804723 521035437 /nfs/dbraw/zinc/03/54/37/521035437.db2.gz YSFLOOPAIOSRPS-HUUCEWRRSA-N 2 2 255.450 2.038 10 0 CEAELP CCCC[C@@H](CC)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068804723 521035444 /nfs/dbraw/zinc/03/54/44/521035444.db2.gz YSFLOOPAIOSRPS-HUUCEWRRSA-N 2 2 255.450 2.038 10 0 CEAELP CCC[N@H+](CCCOc1ccccc1)CC[NH2+]C ZINC000061815906 521652896 /nfs/dbraw/zinc/65/28/96/521652896.db2.gz ICOGITKEDSJNNV-UHFFFAOYSA-N 2 2 250.386 2.387 10 0 CEAELP CCC[N@@H+](CCCOc1ccccc1)CC[NH2+]C ZINC000061815906 521652897 /nfs/dbraw/zinc/65/28/97/521652897.db2.gz ICOGITKEDSJNNV-UHFFFAOYSA-N 2 2 250.386 2.387 10 0 CEAELP CCC[N@H+](Cc1nccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743831 521694729 /nfs/dbraw/zinc/69/47/29/521694729.db2.gz WCPHJZNOYLMEMX-YIONKMFJSA-N 2 2 276.428 2.398 10 0 CEAELP CCC[N@@H+](Cc1nccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743831 521694732 /nfs/dbraw/zinc/69/47/32/521694732.db2.gz WCPHJZNOYLMEMX-YIONKMFJSA-N 2 2 276.428 2.398 10 0 CEAELP CCCN(Cc1[nH+]ccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743831 521694736 /nfs/dbraw/zinc/69/47/36/521694736.db2.gz WCPHJZNOYLMEMX-YIONKMFJSA-N 2 2 276.428 2.398 10 0 CEAELP CCc1ccccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000052200482 521838839 /nfs/dbraw/zinc/83/88/39/521838839.db2.gz DYMDFQISGCYUOX-UHFFFAOYSA-N 2 2 262.397 2.061 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502642 522596347 /nfs/dbraw/zinc/59/63/47/522596347.db2.gz JSJWJYGEALNUSD-WFASDCNBSA-N 2 2 273.380 2.201 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502642 522596358 /nfs/dbraw/zinc/59/63/58/522596358.db2.gz JSJWJYGEALNUSD-WFASDCNBSA-N 2 2 273.380 2.201 10 0 CEAELP C[N@H+](CCC[NH+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754051 /nfs/dbraw/zinc/75/40/51/522754051.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 3 2 287.451 2.463 10 0 CEAELP C[N@@H+](CCC[NH+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754055 /nfs/dbraw/zinc/75/40/55/522754055.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 3 2 287.451 2.463 10 0 CEAELP C[NH+](CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754062 /nfs/dbraw/zinc/75/40/62/522754062.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 3 2 287.451 2.463 10 0 CEAELP C[NH+](CCC[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754069 /nfs/dbraw/zinc/75/40/69/522754069.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 3 2 287.451 2.463 10 0 CEAELP CC[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000051087178 523166110 /nfs/dbraw/zinc/16/61/10/523166110.db2.gz KQFNVCZCILTNNG-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000051087178 523166117 /nfs/dbraw/zinc/16/61/17/523166117.db2.gz KQFNVCZCILTNNG-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1CC ZINC000374210177 523477712 /nfs/dbraw/zinc/47/77/12/523477712.db2.gz TYWKVTUPERMVMB-CABCVRRESA-N 2 2 276.428 2.352 10 0 CEAELP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1CC ZINC000374210177 523477721 /nfs/dbraw/zinc/47/77/21/523477721.db2.gz TYWKVTUPERMVMB-CABCVRRESA-N 2 2 276.428 2.352 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000068648722 524002100 /nfs/dbraw/zinc/00/21/00/524002100.db2.gz VEJZBJFIJXGFKD-BLLLJJGKSA-N 2 2 289.379 2.495 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757299 524168045 /nfs/dbraw/zinc/16/80/45/524168045.db2.gz CBCHKVVYMLHBKM-UNEWFSDZSA-N 2 2 292.423 2.320 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757299 524168051 /nfs/dbraw/zinc/16/80/51/524168051.db2.gz CBCHKVVYMLHBKM-UNEWFSDZSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccccc1C[N@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658126 524435763 /nfs/dbraw/zinc/43/57/63/524435763.db2.gz XRGNKHGXNOPYDO-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP COc1ccccc1C[N@@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658126 524435768 /nfs/dbraw/zinc/43/57/68/524435768.db2.gz XRGNKHGXNOPYDO-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP C[C@H](C[C@](C)([NH3+])C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648175 524654055 /nfs/dbraw/zinc/65/40/55/524654055.db2.gz QTUVMKMWVRQRFA-WWGRRREGSA-N 2 2 283.460 2.116 10 0 CEAELP C[C@H](C[C@](C)([NH3+])C(N)=O)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648175 524654070 /nfs/dbraw/zinc/65/40/70/524654070.db2.gz QTUVMKMWVRQRFA-WWGRRREGSA-N 2 2 283.460 2.116 10 0 CEAELP Cc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)oc1C[NH3+] ZINC000052543526 524713979 /nfs/dbraw/zinc/71/39/79/524713979.db2.gz MMLAYXRAQDKQMN-LLVKDONJSA-N 2 2 252.358 2.046 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)oc1C[NH3+] ZINC000052543526 524713991 /nfs/dbraw/zinc/71/39/91/524713991.db2.gz MMLAYXRAQDKQMN-LLVKDONJSA-N 2 2 252.358 2.046 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](CCO)Cc2ccccc2)c1 ZINC000050513855 524879857 /nfs/dbraw/zinc/87/98/57/524879857.db2.gz QXCNVJNSNXFXBR-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](CCO)Cc2ccccc2)c1 ZINC000050513855 524879866 /nfs/dbraw/zinc/87/98/66/524879866.db2.gz QXCNVJNSNXFXBR-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3ncccc3c2)CCCO1 ZINC000069502777 525056220 /nfs/dbraw/zinc/05/62/20/525056220.db2.gz ZLMBILIOHZQONM-DYVFJYSZSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3ncccc3c2)CCCO1 ZINC000069502777 525056230 /nfs/dbraw/zinc/05/62/30/525056230.db2.gz ZLMBILIOHZQONM-DYVFJYSZSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000069134804 525099811 /nfs/dbraw/zinc/09/98/11/525099811.db2.gz CMJGZMZBLKKFOP-GHMZBOCLSA-N 2 2 278.787 2.170 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](CCO)Cc1ccccc1 ZINC000050514113 525423172 /nfs/dbraw/zinc/42/31/72/525423172.db2.gz BJDMPCLODIHIEY-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](CCO)Cc1ccccc1 ZINC000050514113 525423177 /nfs/dbraw/zinc/42/31/77/525423177.db2.gz BJDMPCLODIHIEY-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)ccc1F ZINC000050546113 525481002 /nfs/dbraw/zinc/48/10/02/525481002.db2.gz FIMSPOKEMRJBDE-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)ccc1F ZINC000050546113 525481004 /nfs/dbraw/zinc/48/10/04/525481004.db2.gz FIMSPOKEMRJBDE-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757227 525978986 /nfs/dbraw/zinc/97/89/86/525978986.db2.gz WONMVWRAFZTMHN-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757227 525978993 /nfs/dbraw/zinc/97/89/93/525978993.db2.gz WONMVWRAFZTMHN-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000049137942 526392667 /nfs/dbraw/zinc/39/26/67/526392667.db2.gz FTMJXTXARBDBAN-INIZCTEOSA-N 2 2 255.365 2.352 10 0 CEAELP c1cn([C@@H]2CCC[C@H]2[NH2+][C@@H]2CCCSC2)c[nH+]1 ZINC000061587561 526536491 /nfs/dbraw/zinc/53/64/91/526536491.db2.gz HUQORIXRZAPBHY-JHJVBQTASA-N 2 2 251.399 2.462 10 0 CEAELP Cc1nc(C)c([C@H](C)[NH2+]CC[NH2+]CC2CC2)s1 ZINC000049538826 526752942 /nfs/dbraw/zinc/75/29/42/526752942.db2.gz UXZHSHCBIXNFQB-VIFPVBQESA-N 2 2 253.415 2.410 10 0 CEAELP Cc1[nH]c(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c[nH+]1 ZINC000054822435 526887491 /nfs/dbraw/zinc/88/74/91/526887491.db2.gz AAMVFKHRCWEBCH-SWLSCSKDSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH]cc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)[nH+]1 ZINC000054822435 526887492 /nfs/dbraw/zinc/88/74/92/526887492.db2.gz AAMVFKHRCWEBCH-SWLSCSKDSA-N 2 2 264.417 2.318 10 0 CEAELP [NH3+]Cc1coc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000052374729 527263682 /nfs/dbraw/zinc/26/36/82/527263682.db2.gz AVGBJMWUOQQBJI-UHFFFAOYSA-N 2 2 289.354 2.200 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331593 527799080 /nfs/dbraw/zinc/79/90/80/527799080.db2.gz DEXCLHZOQNNCBL-KLAILNCOSA-N 2 2 274.408 2.418 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331593 527799083 /nfs/dbraw/zinc/79/90/83/527799083.db2.gz DEXCLHZOQNNCBL-KLAILNCOSA-N 2 2 274.408 2.418 10 0 CEAELP CC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccs1 ZINC000399025847 628770098 /nfs/dbraw/zinc/77/00/98/628770098.db2.gz HILQVQMIBLCWCW-ZDUSSCGKSA-N 2 2 268.426 2.246 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccs1 ZINC000134133358 652777898 /nfs/dbraw/zinc/77/78/98/652777898.db2.gz DQMCXQPUTZIVAD-UTUOFQBUSA-N 2 2 254.399 2.166 10 0 CEAELP CCc1ccc(N[N+]2=C(C)N(C)[C@@H]([NH2+]C)C=C2)cc1 ZINC000223583148 344543190 /nfs/dbraw/zinc/54/31/90/344543190.db2.gz HEWYJRCSDQIOPK-OAHLLOKOSA-N 2 2 259.377 2.011 10 0 CEAELP C[NH2+][C@@H](C[NH3+])c1ccc(Br)c(Cl)c1 ZINC000234425457 344584895 /nfs/dbraw/zinc/58/48/95/344584895.db2.gz AJGJVXWOHUTHPP-VIFPVBQESA-N 2 2 263.566 2.322 10 0 CEAELP C[C@H]([NH3+])C[NH2+][C@H]1c2ccccc2-c2ccccc2N(C)C1=O ZINC000584655226 344974320 /nfs/dbraw/zinc/97/43/20/344974320.db2.gz AYRHIDQYWDLPFR-SJCJKPOMSA-N 2 2 295.386 2.308 10 0 CEAELP CCn1cc[nH+]c1C[C@H]([NH2+]C)[C@]1(C)CCCS1 ZINC000097304834 185582055 /nfs/dbraw/zinc/58/20/55/185582055.db2.gz PUWWZRVULXPYRT-AAEUAGOBSA-N 2 2 253.415 2.319 10 0 CEAELP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085509908 179085870 /nfs/dbraw/zinc/08/58/70/179085870.db2.gz KUMNONLTOBLILQ-HZPDHXFCSA-N 2 2 276.428 2.126 10 0 CEAELP CCC1(CC)C[N@H+](CCOC)[C@](C)(C2CC2)C[NH2+]1 ZINC000085520966 179087525 /nfs/dbraw/zinc/08/75/25/179087525.db2.gz MIYXYPPAIIGWJS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[N@@H+](CCOC)[C@](C)(C2CC2)C[NH2+]1 ZINC000085520966 179087527 /nfs/dbraw/zinc/08/75/27/179087527.db2.gz MIYXYPPAIIGWJS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCOC ZINC000085497899 179083254 /nfs/dbraw/zinc/08/32/54/179083254.db2.gz KKXPXXCSJSHKQB-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCOC ZINC000085497899 179083256 /nfs/dbraw/zinc/08/32/56/179083256.db2.gz KKXPXXCSJSHKQB-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC1(C)C[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085528045 179090957 /nfs/dbraw/zinc/09/09/57/179090957.db2.gz VNZFRBDFOPNROR-OAHLLOKOSA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609372 179101306 /nfs/dbraw/zinc/10/13/06/179101306.db2.gz WPEIKAYQYVQRDP-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609372 179101308 /nfs/dbraw/zinc/10/13/08/179101308.db2.gz WPEIKAYQYVQRDP-DZGCQCFKSA-N 2 2 277.412 2.300 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000085610872 179102432 /nfs/dbraw/zinc/10/24/32/179102432.db2.gz WCOAPQJXRWLBAE-QGZVFWFLSA-N 2 2 284.407 2.440 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000085610872 179102434 /nfs/dbraw/zinc/10/24/34/179102434.db2.gz WCOAPQJXRWLBAE-QGZVFWFLSA-N 2 2 284.407 2.440 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613372 179102477 /nfs/dbraw/zinc/10/24/77/179102477.db2.gz KCVCXPXBFKPREH-QGZVFWFLSA-N 2 2 284.407 2.298 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085613372 179102479 /nfs/dbraw/zinc/10/24/79/179102479.db2.gz KCVCXPXBFKPREH-QGZVFWFLSA-N 2 2 284.407 2.298 10 0 CEAELP CCn1cc(C[N@@H+]2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618303 179104451 /nfs/dbraw/zinc/10/44/51/179104451.db2.gz OVSGLCVWBURZDU-DZGCQCFKSA-N 2 2 264.417 2.111 10 0 CEAELP CCn1cc(C[N@H+]2C[C@H](C(C)C)[NH2+]CC[C@@H]2C)cn1 ZINC000085618303 179104453 /nfs/dbraw/zinc/10/44/53/179104453.db2.gz OVSGLCVWBURZDU-DZGCQCFKSA-N 2 2 264.417 2.111 10 0 CEAELP CCC1(CC)C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085617590 179104457 /nfs/dbraw/zinc/10/44/57/179104457.db2.gz CZXVKMXGOFUASY-UHFFFAOYSA-N 2 2 254.418 2.267 10 0 CEAELP CCC1(CC)C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085617590 179104458 /nfs/dbraw/zinc/10/44/58/179104458.db2.gz CZXVKMXGOFUASY-UHFFFAOYSA-N 2 2 254.418 2.267 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634991 179109418 /nfs/dbraw/zinc/10/94/18/179109418.db2.gz XYPFJWAYTZCRGO-AJNGGQMLSA-N 2 2 266.429 2.264 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(Br)cc1)C[NH+](C)C ZINC000085798909 179172664 /nfs/dbraw/zinc/17/26/64/179172664.db2.gz PRAFULUJEZVAIX-LBPRGKRZSA-N 2 2 271.202 2.141 10 0 CEAELP C[NH+](C)CCC[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086286970 179264108 /nfs/dbraw/zinc/26/41/08/179264108.db2.gz AJQUIFUPJIQLDP-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH+](C)CCC[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086286970 179264109 /nfs/dbraw/zinc/26/41/09/179264109.db2.gz AJQUIFUPJIQLDP-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289949 179264277 /nfs/dbraw/zinc/26/42/77/179264277.db2.gz NFGROUDQLDIFKR-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289949 179264280 /nfs/dbraw/zinc/26/42/80/179264280.db2.gz NFGROUDQLDIFKR-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP c1cncc(CC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)c1 ZINC000086288735 179264577 /nfs/dbraw/zinc/26/45/77/179264577.db2.gz HXLAXERJRZGYMY-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP c1cncc(CC[N@H+]2CCC[NH2+]C3(CCCC3)C2)c1 ZINC000086288735 179264579 /nfs/dbraw/zinc/26/45/79/179264579.db2.gz HXLAXERJRZGYMY-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)s1 ZINC000086289960 179264748 /nfs/dbraw/zinc/26/47/48/179264748.db2.gz SCWAREJHIWDYNT-ZDUSSCGKSA-N 2 2 251.399 2.025 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)s1 ZINC000086289960 179264750 /nfs/dbraw/zinc/26/47/50/179264750.db2.gz SCWAREJHIWDYNT-ZDUSSCGKSA-N 2 2 251.399 2.025 10 0 CEAELP Cc1cnc(C[N@@H+]2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086295523 179267813 /nfs/dbraw/zinc/26/78/13/179267813.db2.gz RIHSDJMHGJSYOZ-KRWDZBQOSA-N 2 2 282.391 2.322 10 0 CEAELP Cc1cnc(C[N@H+]2CCC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000086295523 179267814 /nfs/dbraw/zinc/26/78/14/179267814.db2.gz RIHSDJMHGJSYOZ-KRWDZBQOSA-N 2 2 282.391 2.322 10 0 CEAELP CCOc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1OC ZINC000086507214 179302868 /nfs/dbraw/zinc/30/28/68/179302868.db2.gz PCSSJBXFNYKVJW-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP CCOc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1OC ZINC000086507214 179302869 /nfs/dbraw/zinc/30/28/69/179302869.db2.gz PCSSJBXFNYKVJW-UHFFFAOYSA-N 2 2 275.352 2.149 10 0 CEAELP CC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000086655227 179316675 /nfs/dbraw/zinc/31/66/75/179316675.db2.gz QWLJQNJLESQNFE-IAGOWNOFSA-N 2 2 276.424 2.316 10 0 CEAELP CC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000086655227 179316678 /nfs/dbraw/zinc/31/66/78/179316678.db2.gz QWLJQNJLESQNFE-IAGOWNOFSA-N 2 2 276.424 2.316 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])(OCCCn2cc[nH+]c2)C1 ZINC000086713017 179322772 /nfs/dbraw/zinc/32/27/72/179322772.db2.gz CONJNJPIQOJOQM-KGLIPLIRSA-N 2 2 251.374 2.197 10 0 CEAELP C[N@@H+]1CCC[C@](C[NH3+])([NH+]2CCCc3ccccc3C2)CC1 ZINC000086819591 179347965 /nfs/dbraw/zinc/34/79/65/179347965.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 3 2 287.451 2.248 10 0 CEAELP C[N@H+]1CCC[C@](C[NH3+])([NH+]2CCCc3ccccc3C2)CC1 ZINC000086819591 179347967 /nfs/dbraw/zinc/34/79/67/179347967.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 3 2 287.451 2.248 10 0 CEAELP C[NH+]1CCC[C@](C[NH3+])([N@@H+]2CCCc3ccccc3C2)CC1 ZINC000086819591 179347968 /nfs/dbraw/zinc/34/79/68/179347968.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 3 2 287.451 2.248 10 0 CEAELP C[NH+]1CCC[C@](C[NH3+])([N@H+]2CCCc3ccccc3C2)CC1 ZINC000086819591 179347970 /nfs/dbraw/zinc/34/79/70/179347970.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 3 2 287.451 2.248 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851783 179359836 /nfs/dbraw/zinc/35/98/36/179359836.db2.gz DSWNRMCQSRIDGT-AWEZNQCLSA-N 2 2 266.389 2.027 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851783 179359837 /nfs/dbraw/zinc/35/98/37/179359837.db2.gz DSWNRMCQSRIDGT-AWEZNQCLSA-N 2 2 266.389 2.027 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616627396 348539314 /nfs/dbraw/zinc/53/93/14/348539314.db2.gz ARIYHNZGWZOQDB-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616627396 348539317 /nfs/dbraw/zinc/53/93/17/348539317.db2.gz ARIYHNZGWZOQDB-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP Nc1ccc([C@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616679306 348558018 /nfs/dbraw/zinc/55/80/18/348558018.db2.gz TYCAXEDTWQUBBJ-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1ccc([C@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616679306 348558020 /nfs/dbraw/zinc/55/80/20/348558020.db2.gz TYCAXEDTWQUBBJ-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP CCCCCN(C(C)C)[C@@H](C[NH3+])c1c[nH+]cn1C ZINC000090167662 179924430 /nfs/dbraw/zinc/92/44/30/179924430.db2.gz BMMRPCWVHMUXQH-ZDUSSCGKSA-N 2 2 252.406 2.321 10 0 CEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000068803398 362949453 /nfs/dbraw/zinc/94/94/53/362949453.db2.gz STCRJGOXOYDJLK-OWCLPIDISA-N 2 2 281.488 2.427 10 0 CEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000068803398 362949454 /nfs/dbraw/zinc/94/94/54/362949454.db2.gz STCRJGOXOYDJLK-OWCLPIDISA-N 2 2 281.488 2.427 10 0 CEAELP CC(C)C[N@H+](CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893505 180054702 /nfs/dbraw/zinc/05/47/02/180054702.db2.gz KAIZCEYXWQAEAC-AWEZNQCLSA-N 2 2 266.360 2.046 10 0 CEAELP CC(C)C[N@@H+](CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893505 180054705 /nfs/dbraw/zinc/05/47/05/180054705.db2.gz KAIZCEYXWQAEAC-AWEZNQCLSA-N 2 2 266.360 2.046 10 0 CEAELP CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894294 180056411 /nfs/dbraw/zinc/05/64/11/180056411.db2.gz RAAYZQQENJFKOB-HUUCEWRRSA-N 2 2 278.371 2.203 10 0 CEAELP CC[N@@H+](C[C@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894294 180056412 /nfs/dbraw/zinc/05/64/12/180056412.db2.gz RAAYZQQENJFKOB-HUUCEWRRSA-N 2 2 278.371 2.203 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907868 180061900 /nfs/dbraw/zinc/06/19/00/180061900.db2.gz IJDXXTHBMBTYAI-OKILXGFUSA-N 2 2 264.369 2.141 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907868 180061902 /nfs/dbraw/zinc/06/19/02/180061902.db2.gz IJDXXTHBMBTYAI-OKILXGFUSA-N 2 2 264.369 2.141 10 0 CEAELP C[NH2+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907602 180062216 /nfs/dbraw/zinc/06/22/16/180062216.db2.gz PWDBFUFEROKOSQ-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907602 180062218 /nfs/dbraw/zinc/06/22/18/180062218.db2.gz PWDBFUFEROKOSQ-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP CC[C@@H](C)[N@H+](CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958311 180074607 /nfs/dbraw/zinc/07/46/07/180074607.db2.gz WACQARIKFSSGGP-GHMZBOCLSA-N 2 2 271.430 2.410 10 0 CEAELP CC[C@@H](C)[N@@H+](CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958311 180074610 /nfs/dbraw/zinc/07/46/10/180074610.db2.gz WACQARIKFSSGGP-GHMZBOCLSA-N 2 2 271.430 2.410 10 0 CEAELP CCC1(C)CC[NH+]([C@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321596 180134388 /nfs/dbraw/zinc/13/43/88/180134388.db2.gz QVSFKOIFYQPMLL-ZDUSSCGKSA-N 2 2 283.460 2.131 10 0 CEAELP Cc1cccc(C[N@@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321101 180134624 /nfs/dbraw/zinc/13/46/24/180134624.db2.gz DRQYIBBHHZPGKZ-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1cccc(C[N@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321101 180134625 /nfs/dbraw/zinc/13/46/25/180134625.db2.gz DRQYIBBHHZPGKZ-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C)cc1 ZINC000091322610 180134715 /nfs/dbraw/zinc/13/47/15/180134715.db2.gz XWJHHZHYDNMKIO-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C)cc1 ZINC000091322610 180134716 /nfs/dbraw/zinc/13/47/16/180134716.db2.gz XWJHHZHYDNMKIO-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP CN(Cc1[nH+]ccn1C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362789 180141691 /nfs/dbraw/zinc/14/16/91/180141691.db2.gz MVIUIUQIPKSFEX-KKUMJFAQSA-N 2 2 276.428 2.163 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275415 180118602 /nfs/dbraw/zinc/11/86/02/180118602.db2.gz TWHRIIMNOIESBE-WFASDCNBSA-N 2 2 262.401 2.209 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275415 180118603 /nfs/dbraw/zinc/11/86/03/180118603.db2.gz TWHRIIMNOIESBE-WFASDCNBSA-N 2 2 262.401 2.209 10 0 CEAELP CCN(CC(C)C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276233 180120555 /nfs/dbraw/zinc/12/05/55/180120555.db2.gz RMLALMFFWBFPIC-ZDUSSCGKSA-N 2 2 250.390 2.196 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)[N@H+](C)CC1CC(O)C1 ZINC000091450858 180158712 /nfs/dbraw/zinc/15/87/12/180158712.db2.gz JOUOJFUBRJUGDU-TVGUXLQWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091450858 180158713 /nfs/dbraw/zinc/15/87/13/180158713.db2.gz JOUOJFUBRJUGDU-TVGUXLQWSA-N 2 2 292.423 2.176 10 0 CEAELP C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000091415533 180149457 /nfs/dbraw/zinc/14/94/57/180149457.db2.gz AIZHNMHUSZGXGP-VEAWUBTESA-N 2 2 271.364 2.294 10 0 CEAELP CCC[NH2+][C@H](Cc1ncnn1CC)C(C)(C)[NH+]1CCCC1 ZINC000091563699 180192958 /nfs/dbraw/zinc/19/29/58/180192958.db2.gz DKVXWNHJEDDFJF-CQSZACIVSA-N 2 2 293.459 2.083 10 0 CEAELP CC(C)Cn1ncnc1C[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 ZINC000091564317 180193733 /nfs/dbraw/zinc/19/37/33/180193733.db2.gz VHZCVYIXJYUOCN-CQSZACIVSA-N 2 2 293.459 2.068 10 0 CEAELP CC[NH2+][C@@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+](CC)CC ZINC000091600393 180202126 /nfs/dbraw/zinc/20/21/26/180202126.db2.gz BONVNAJPKMRFII-HOTGVXAUSA-N 2 2 280.460 2.451 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCC1 ZINC000091609045 180205511 /nfs/dbraw/zinc/20/55/11/180205511.db2.gz LSSQHKXFLOOOAX-CVEARBPZSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609045 180205514 /nfs/dbraw/zinc/20/55/14/180205514.db2.gz LSSQHKXFLOOOAX-CVEARBPZSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000091612156 180207348 /nfs/dbraw/zinc/20/73/48/180207348.db2.gz ASQRBRQRTAVCLG-DLBZAZTESA-N 2 2 276.424 2.447 10 0 CEAELP COc1c(C)cnc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1C ZINC000091533645 180181618 /nfs/dbraw/zinc/18/16/18/180181618.db2.gz KSYZVJRSQFLNKJ-OAHLLOKOSA-N 2 2 291.439 2.451 10 0 CEAELP C[NH2+][C@H](Cc1csc(C)n1)C(C)(C)[NH+]1CCCC1 ZINC000091534678 180181967 /nfs/dbraw/zinc/18/19/67/180181967.db2.gz OCNXRLPMYUOAPA-CYBMUJFWSA-N 2 2 267.442 2.456 10 0 CEAELP CC[NH2+][C@H](Cc1ncnn1C)C(CC)(CC)[NH+](CC)CC ZINC000091634021 180210046 /nfs/dbraw/zinc/21/00/46/180210046.db2.gz GCDXYQFNFGBOBK-CQSZACIVSA-N 2 2 295.475 2.236 10 0 CEAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721805 180239727 /nfs/dbraw/zinc/23/97/27/180239727.db2.gz LNYBCKHJKXRKOT-HYVNUMGLSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721805 180239729 /nfs/dbraw/zinc/23/97/29/180239729.db2.gz LNYBCKHJKXRKOT-HYVNUMGLSA-N 2 2 290.407 2.209 10 0 CEAELP C[N@@H+]1CCO[C@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717092 180232118 /nfs/dbraw/zinc/23/21/18/180232118.db2.gz UCCBMVIZRQHODZ-HOTGVXAUSA-N 2 2 276.424 2.185 10 0 CEAELP C[N@H+]1CCO[C@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717092 180232119 /nfs/dbraw/zinc/23/21/19/180232119.db2.gz UCCBMVIZRQHODZ-HOTGVXAUSA-N 2 2 276.424 2.185 10 0 CEAELP CC[NH2+][C@H](CCc1ccc(OC)cc1)C[NH+](C)C ZINC000091719739 180234366 /nfs/dbraw/zinc/23/43/66/180234366.db2.gz JBMVOOKUYBVHEI-CQSZACIVSA-N 2 2 250.386 2.168 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926153 180287153 /nfs/dbraw/zinc/28/71/53/180287153.db2.gz XKWZOHRIMCNPQC-DLBZAZTESA-N 2 2 285.391 2.070 10 0 CEAELP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000092022517 180308009 /nfs/dbraw/zinc/30/80/09/180308009.db2.gz MMESVEMBUGJLBQ-HNNXBMFYSA-N 3 2 284.407 2.446 10 0 CEAELP C[C@@H](C[NH2+]Cc1ccc(-n2ccnc2)cc1)[NH+]1CCCC1 ZINC000092022517 180308012 /nfs/dbraw/zinc/30/80/12/180308012.db2.gz MMESVEMBUGJLBQ-HNNXBMFYSA-N 2 2 284.407 2.446 10 0 CEAELP Cc1cc(NC(=O)[C@H](C[NH3+])Cc2ccccc2)cc[nH+]1 ZINC000092349302 180366933 /nfs/dbraw/zinc/36/69/33/180366933.db2.gz VCWKMPCGGVSLSN-AWEZNQCLSA-N 2 2 269.348 2.146 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccnc2ccccc12 ZINC000092364798 180368345 /nfs/dbraw/zinc/36/83/45/180368345.db2.gz TZRFQUYMRYEKEQ-LBPRGKRZSA-N 2 2 266.348 2.369 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)CC1CCCC1)OCCO2 ZINC000110836481 186328888 /nfs/dbraw/zinc/32/88/88/186328888.db2.gz VVEBINKBJYHCRJ-CVEARBPZSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)CC1CCCC1)OCCO2 ZINC000110836481 186328890 /nfs/dbraw/zinc/32/88/90/186328890.db2.gz VVEBINKBJYHCRJ-CVEARBPZSA-N 2 2 296.455 2.382 10 0 CEAELP CCN(Cc1cn2cc(C)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000110944095 186335443 /nfs/dbraw/zinc/33/54/43/186335443.db2.gz XCJSKFPVNFIDJA-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154441 186360627 /nfs/dbraw/zinc/36/06/27/186360627.db2.gz XTZUFTNOBKTMCP-GUTXKFCHSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154441 186360628 /nfs/dbraw/zinc/36/06/28/186360628.db2.gz XTZUFTNOBKTMCP-GUTXKFCHSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154584 186360727 /nfs/dbraw/zinc/36/07/27/186360727.db2.gz DMTYUFRHPUSYLM-NUEKZKHPSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154584 186360729 /nfs/dbraw/zinc/36/07/29/186360729.db2.gz DMTYUFRHPUSYLM-NUEKZKHPSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154590 186360854 /nfs/dbraw/zinc/36/08/54/186360854.db2.gz DMTYUFRHPUSYLM-IMJJTQAJSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154590 186360855 /nfs/dbraw/zinc/36/08/55/186360855.db2.gz DMTYUFRHPUSYLM-IMJJTQAJSA-N 2 2 277.412 2.218 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000111150364 186360928 /nfs/dbraw/zinc/36/09/28/186360928.db2.gz SFDBVCZMZAVLSN-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000111150364 186360930 /nfs/dbraw/zinc/36/09/30/186360930.db2.gz SFDBVCZMZAVLSN-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP COc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156617 186361521 /nfs/dbraw/zinc/36/15/21/186361521.db2.gz IYMRZGGGRMPWCT-MRXNPFEDSA-N 2 2 278.396 2.053 10 0 CEAELP COc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156617 186361523 /nfs/dbraw/zinc/36/15/23/186361523.db2.gz IYMRZGGGRMPWCT-MRXNPFEDSA-N 2 2 278.396 2.053 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111156669 186362523 /nfs/dbraw/zinc/36/25/23/186362523.db2.gz PCGACCWMIFCUNR-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111156669 186362524 /nfs/dbraw/zinc/36/25/24/186362524.db2.gz PCGACCWMIFCUNR-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000111117043 186355123 /nfs/dbraw/zinc/35/51/23/186355123.db2.gz SXQJRQYDDBQCGR-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000111117043 186355124 /nfs/dbraw/zinc/35/51/24/186355124.db2.gz SXQJRQYDDBQCGR-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CC[C@H]1CCC(=O)[C@H](C[N@H+](C)CCC[NH+](C)C)C1 ZINC000111146567 186358207 /nfs/dbraw/zinc/35/82/07/186358207.db2.gz VUCKBUPKDDXVLT-KBPBESRZSA-N 2 2 254.418 2.265 10 0 CEAELP CC[C@H]1CCC(=O)[C@H](C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000111146567 186358209 /nfs/dbraw/zinc/35/82/09/186358209.db2.gz VUCKBUPKDDXVLT-KBPBESRZSA-N 2 2 254.418 2.265 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@H+](C)CCC[NH+](C)C ZINC000111147805 186358544 /nfs/dbraw/zinc/35/85/44/186358544.db2.gz XMJBNGAGVKEFTE-OAHLLOKOSA-N 3 2 257.466 2.286 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000111147805 186358545 /nfs/dbraw/zinc/35/85/45/186358545.db2.gz XMJBNGAGVKEFTE-OAHLLOKOSA-N 3 2 257.466 2.286 10 0 CEAELP COc1ccc([C@H](C)O)cc1C[N@H+](C)CCC[NH+](C)C ZINC000111143767 186359062 /nfs/dbraw/zinc/35/90/62/186359062.db2.gz YYJZTZACWRQWBN-ZDUSSCGKSA-N 2 2 280.412 2.132 10 0 CEAELP COc1ccc([C@H](C)O)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111143767 186359063 /nfs/dbraw/zinc/35/90/63/186359063.db2.gz YYJZTZACWRQWBN-ZDUSSCGKSA-N 2 2 280.412 2.132 10 0 CEAELP Cc1[nH+]cn(-c2c(F)cc(CC[NH3+])cc2F)c1C ZINC000111513283 186426057 /nfs/dbraw/zinc/42/60/57/186426057.db2.gz DYFLIMSLOPXOPT-UHFFFAOYSA-N 2 2 251.280 2.269 10 0 CEAELP CO[C@H]1C[N@H+](CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359308 351710802 /nfs/dbraw/zinc/71/08/02/351710802.db2.gz FNEKESSXOFEYIZ-CABCVRRESA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359308 351710804 /nfs/dbraw/zinc/71/08/04/351710804.db2.gz FNEKESSXOFEYIZ-CABCVRRESA-N 2 2 298.814 2.157 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271191 187955863 /nfs/dbraw/zinc/95/58/63/187955863.db2.gz QHZYRIFLHWIVDE-GXTWGEPZSA-N 2 2 298.377 2.462 10 0 CEAELP C[N@@H+]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076079 540117411 /nfs/dbraw/zinc/11/74/11/540117411.db2.gz TZASLWNVZKGJCE-ZDUSSCGKSA-N 2 2 254.324 2.395 10 0 CEAELP C[N@H+]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)C(C)(C)C1 ZINC000675076079 540117414 /nfs/dbraw/zinc/11/74/14/540117414.db2.gz TZASLWNVZKGJCE-ZDUSSCGKSA-N 2 2 254.324 2.395 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1F ZINC000380681590 540135176 /nfs/dbraw/zinc/13/51/76/540135176.db2.gz KAFRZEZHGPNYLM-ZFWWWQNUSA-N 2 2 282.403 2.486 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1F ZINC000380681590 540135181 /nfs/dbraw/zinc/13/51/81/540135181.db2.gz KAFRZEZHGPNYLM-ZFWWWQNUSA-N 2 2 282.403 2.486 10 0 CEAELP C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236378 213065897 /nfs/dbraw/zinc/06/58/97/213065897.db2.gz KYGHZROWVMYCKC-XJKSGUPXSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236378 213065900 /nfs/dbraw/zinc/06/59/00/213065900.db2.gz KYGHZROWVMYCKC-XJKSGUPXSA-N 2 2 271.364 2.218 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000180123170 189238056 /nfs/dbraw/zinc/23/80/56/189238056.db2.gz JYKWRFKXAHAUOW-OAHLLOKOSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000180123170 189238057 /nfs/dbraw/zinc/23/80/57/189238057.db2.gz JYKWRFKXAHAUOW-OAHLLOKOSA-N 2 2 273.384 2.073 10 0 CEAELP CCC[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180566735 189262688 /nfs/dbraw/zinc/26/26/88/189262688.db2.gz ADQLAFYURKXWFO-CHWSQXEVSA-N 2 2 277.416 2.265 10 0 CEAELP Cc1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180648344 189268146 /nfs/dbraw/zinc/26/81/46/189268146.db2.gz AUEPHCUASAUQNX-LLVKDONJSA-N 2 2 283.335 2.415 10 0 CEAELP [NH3+][C@H](Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000011848840 361366697 /nfs/dbraw/zinc/36/66/97/361366697.db2.gz QKXJYJXWDBDHJZ-LLVKDONJSA-N 2 2 266.142 2.346 10 0 CEAELP Cn1cc([C@H](CNc2[nH]c3ccccc3[nH+]2)[NH+](C)C)cn1 ZINC000301898637 201252596 /nfs/dbraw/zinc/25/25/96/201252596.db2.gz XCFLXIGNDGRHQK-AWEZNQCLSA-N 2 2 284.367 2.011 10 0 CEAELP Brc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)ccn1 ZINC000095092455 364338905 /nfs/dbraw/zinc/33/89/05/364338905.db2.gz BLXKMHDDTAAUAU-LLVKDONJSA-N 2 2 284.201 2.076 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000181453197 368457423 /nfs/dbraw/zinc/45/74/23/368457423.db2.gz MXGBNMOZEDDWFF-AWEZNQCLSA-N 2 2 293.411 2.282 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000181453197 368457425 /nfs/dbraw/zinc/45/74/25/368457425.db2.gz MXGBNMOZEDDWFF-AWEZNQCLSA-N 2 2 293.411 2.282 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043338 370902076 /nfs/dbraw/zinc/90/20/76/370902076.db2.gz XHZQUAAHOBDPTF-CHWSQXEVSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043338 370902079 /nfs/dbraw/zinc/90/20/79/370902079.db2.gz XHZQUAAHOBDPTF-CHWSQXEVSA-N 2 2 270.417 2.181 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCF)C1 ZINC000195270917 370120811 /nfs/dbraw/zinc/12/08/11/370120811.db2.gz RMMFZLQDAXFGAA-HNNXBMFYSA-N 2 2 265.376 2.195 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCF)C1 ZINC000195270917 370120816 /nfs/dbraw/zinc/12/08/16/370120816.db2.gz RMMFZLQDAXFGAA-HNNXBMFYSA-N 2 2 265.376 2.195 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCF)C1 ZINC000195270917 370120820 /nfs/dbraw/zinc/12/08/20/370120820.db2.gz RMMFZLQDAXFGAA-HNNXBMFYSA-N 2 2 265.376 2.195 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCF)C1 ZINC000195270917 370120824 /nfs/dbraw/zinc/12/08/24/370120824.db2.gz RMMFZLQDAXFGAA-HNNXBMFYSA-N 2 2 265.376 2.195 10 0 CEAELP [NH3+]C[C@@H]1C[N@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC000261616513 371679924 /nfs/dbraw/zinc/67/99/24/371679924.db2.gz CMLDXTYVFOWWFZ-HIFRSBDPSA-N 2 2 273.405 2.317 10 0 CEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cscn2)C[C@H]1c1ccccc1 ZINC000261616513 371679930 /nfs/dbraw/zinc/67/99/30/371679930.db2.gz CMLDXTYVFOWWFZ-HIFRSBDPSA-N 2 2 273.405 2.317 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1[NH3+] ZINC000261926737 371772057 /nfs/dbraw/zinc/77/20/57/371772057.db2.gz CIFLEKOPAKVNDI-LRDDRELGSA-N 2 2 260.381 2.254 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@@H]1[NH3+] ZINC000261926737 371772070 /nfs/dbraw/zinc/77/20/70/371772070.db2.gz CIFLEKOPAKVNDI-LRDDRELGSA-N 2 2 260.381 2.254 10 0 CEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@H]1CCc2ccccc21 ZINC000262149812 371830682 /nfs/dbraw/zinc/83/06/82/371830682.db2.gz FUTWWDOHKHDISR-AWEZNQCLSA-N 2 2 286.379 2.428 10 0 CEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@H]1CCc2ccccc21 ZINC000262149812 371830688 /nfs/dbraw/zinc/83/06/88/371830688.db2.gz FUTWWDOHKHDISR-AWEZNQCLSA-N 2 2 286.379 2.428 10 0 CEAELP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C[NH3+])n1 ZINC000262259627 371843413 /nfs/dbraw/zinc/84/34/13/371843413.db2.gz QZMSXQFIVNDWLY-MNOVXSKESA-N 2 2 266.389 2.223 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)no1 ZINC000262307225 371849658 /nfs/dbraw/zinc/84/96/58/371849658.db2.gz YKGPBCGZFITARP-CQSZACIVSA-N 2 2 286.379 2.126 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)no1 ZINC000262307225 371849668 /nfs/dbraw/zinc/84/96/68/371849668.db2.gz YKGPBCGZFITARP-CQSZACIVSA-N 2 2 286.379 2.126 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)nc(C)[nH+]1 ZINC000272865736 373686059 /nfs/dbraw/zinc/68/60/59/373686059.db2.gz MVZQISBTRGBRKS-GJZGRUSLSA-N 2 2 274.412 2.410 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)nc(C)[nH+]1 ZINC000272865736 373686073 /nfs/dbraw/zinc/68/60/73/373686073.db2.gz MVZQISBTRGBRKS-GJZGRUSLSA-N 2 2 274.412 2.410 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509329 376852463 /nfs/dbraw/zinc/85/24/63/376852463.db2.gz MVOJFXNSBPIGOP-MLGOLLRUSA-N 2 2 275.396 2.390 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509329 376852470 /nfs/dbraw/zinc/85/24/70/376852470.db2.gz MVOJFXNSBPIGOP-MLGOLLRUSA-N 2 2 275.396 2.390 10 0 CEAELP COCCC[NH2+]C[C@@H](C)[N@H+](C)CCc1cccs1 ZINC000093271865 184660391 /nfs/dbraw/zinc/66/03/91/184660391.db2.gz POAWEEDKYYQVIA-CYBMUJFWSA-N 2 2 270.442 2.237 10 0 CEAELP COCCC[NH2+]C[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC000093271865 184660392 /nfs/dbraw/zinc/66/03/92/184660392.db2.gz POAWEEDKYYQVIA-CYBMUJFWSA-N 2 2 270.442 2.237 10 0 CEAELP Cc1cnc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000093516371 184686618 /nfs/dbraw/zinc/68/66/18/184686618.db2.gz NETONEKOTDWLCE-GXTWGEPZSA-N 2 2 262.401 2.185 10 0 CEAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@](C)([NH3+])CO ZINC000085216370 135035650 /nfs/dbraw/zinc/03/56/50/135035650.db2.gz GCGOUNDEHSZOPP-INIZCTEOSA-N 2 2 262.397 2.238 10 0 CEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@](C)([NH3+])CO ZINC000085216370 135035652 /nfs/dbraw/zinc/03/56/52/135035652.db2.gz GCGOUNDEHSZOPP-INIZCTEOSA-N 2 2 262.397 2.238 10 0 CEAELP CC[NH2+]C[C@H]1CCCCN1c1cc(CC)[nH+]c(C)n1 ZINC000088760873 135057220 /nfs/dbraw/zinc/05/72/20/135057220.db2.gz JNJDHNAKQGEKJT-CQSZACIVSA-N 2 2 262.401 2.316 10 0 CEAELP C[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093068233 135078960 /nfs/dbraw/zinc/07/89/60/135078960.db2.gz SRKDKXJZAJULRI-KGLIPLIRSA-N 2 2 279.403 2.192 10 0 CEAELP C[NH+](C)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094432124 135087117 /nfs/dbraw/zinc/08/71/17/135087117.db2.gz VWVJKYABYZSHMN-MRXNPFEDSA-N 2 2 259.397 2.427 10 0 CEAELP C[NH+](C)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000094432124 135087118 /nfs/dbraw/zinc/08/71/18/135087118.db2.gz VWVJKYABYZSHMN-MRXNPFEDSA-N 2 2 259.397 2.427 10 0 CEAELP c1ccn2c(c1)nnc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262305744 153937655 /nfs/dbraw/zinc/93/76/55/153937655.db2.gz PDLMZVGXEJNTHV-RBSFLKMASA-N 2 2 299.422 2.130 10 0 CEAELP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178330608 165235570 /nfs/dbraw/zinc/23/55/70/165235570.db2.gz MLKQGMSKGRMWIF-GXFFZTMASA-N 2 2 275.356 2.109 10 0 CEAELP Cc1nnc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000178330608 165235577 /nfs/dbraw/zinc/23/55/77/165235577.db2.gz MLKQGMSKGRMWIF-GXFFZTMASA-N 2 2 275.356 2.109 10 0 CEAELP Cc1oncc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181712468 165351811 /nfs/dbraw/zinc/35/18/11/165351811.db2.gz WRBRWNRSKGMNHY-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1oncc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181712468 165351815 /nfs/dbraw/zinc/35/18/15/165351815.db2.gz WRBRWNRSKGMNHY-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[NH+]2CCSCC2)c(C)c1 ZINC000020257015 171111368 /nfs/dbraw/zinc/11/13/68/171111368.db2.gz KSWIUPGVFLWITC-AWEZNQCLSA-N 2 2 250.411 2.352 10 0 CEAELP CCc1cccc(OC[C@@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000020400807 171181925 /nfs/dbraw/zinc/18/19/25/171181925.db2.gz QGCXBRTTXKGWQG-OAHLLOKOSA-N 2 2 262.397 2.441 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+](C)C)cc1Br ZINC000038052081 174063591 /nfs/dbraw/zinc/06/35/91/174063591.db2.gz WEKAOUUYDAETJH-JTQLQIEISA-N 2 2 273.174 2.019 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)[C@@H]2CCSC2)[nH+]1 ZINC000040509425 174303306 /nfs/dbraw/zinc/30/33/06/174303306.db2.gz DDVBLPKUNTVBEQ-LLVKDONJSA-N 2 2 251.399 2.099 10 0 CEAELP CC(C)(C)Nc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040680369 174374639 /nfs/dbraw/zinc/37/46/39/174374639.db2.gz ZHSHVFVXSQDKGK-UHFFFAOYSA-N 2 2 258.329 2.408 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314915 175004391 /nfs/dbraw/zinc/00/43/91/175004391.db2.gz DONSPHJLYJVQQA-OAHLLOKOSA-N 2 2 250.386 2.272 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314915 175004392 /nfs/dbraw/zinc/00/43/92/175004392.db2.gz DONSPHJLYJVQQA-OAHLLOKOSA-N 2 2 250.386 2.272 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCCOC)CCOC ZINC000043335998 175011953 /nfs/dbraw/zinc/01/19/53/175011953.db2.gz KTSAHNWWLKCUCD-UKRRQHHQSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCCOC)CCOC ZINC000043335998 175011954 /nfs/dbraw/zinc/01/19/54/175011954.db2.gz KTSAHNWWLKCUCD-UKRRQHHQSA-N 2 2 284.400 2.043 10 0 CEAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](CC)C1CC1)OCCO2 ZINC000043822291 175114780 /nfs/dbraw/zinc/11/47/80/175114780.db2.gz SQKCRYPZMCHTBK-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](CC)C1CC1)OCCO2 ZINC000043822291 175114781 /nfs/dbraw/zinc/11/47/81/175114781.db2.gz SQKCRYPZMCHTBK-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CCCC[C@@H]1CC ZINC000043883511 175116269 /nfs/dbraw/zinc/11/62/69/175116269.db2.gz DNFNFMKZNLLRMN-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1CCCC[C@@H]1CC ZINC000043883511 175116270 /nfs/dbraw/zinc/11/62/70/175116270.db2.gz DNFNFMKZNLLRMN-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907541 175123430 /nfs/dbraw/zinc/12/34/30/175123430.db2.gz QAHBRICSNHZHGV-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@H]([NH2+]CC)[C@@H](CC)[NH+](CCOC)CCOC ZINC000043912802 175124295 /nfs/dbraw/zinc/12/42/95/175124295.db2.gz CVWGILHPWJUACZ-LSDHHAIUSA-N 2 2 274.449 2.138 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+]2CCOCC2(C)C)C1 ZINC000043916661 175125547 /nfs/dbraw/zinc/12/55/47/175125547.db2.gz FGHBBXMHXXUNAZ-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+]2CCOCC2(C)C)C1 ZINC000043916661 175125548 /nfs/dbraw/zinc/12/55/48/175125548.db2.gz FGHBBXMHXXUNAZ-MGPQQGTHSA-N 2 2 254.418 2.264 10 0 CEAELP CCCC[N@H+](C1CC1)[C@@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968187 175129888 /nfs/dbraw/zinc/12/98/88/175129888.db2.gz OHUCTXCTWWWTQZ-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCCC[N@@H+](C1CC1)[C@@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968187 175129889 /nfs/dbraw/zinc/12/98/89/175129889.db2.gz OHUCTXCTWWWTQZ-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969211 175130757 /nfs/dbraw/zinc/13/07/57/175130757.db2.gz JKZLXCIQUOBBJL-APHBMKBZSA-N 2 2 262.397 2.229 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969211 175130759 /nfs/dbraw/zinc/13/07/59/175130759.db2.gz JKZLXCIQUOBBJL-APHBMKBZSA-N 2 2 262.397 2.229 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](CCCOC)CCOC ZINC000043970841 175131712 /nfs/dbraw/zinc/13/17/12/175131712.db2.gz OUOZMMYDXKSHIH-WBVHZDCISA-N 2 2 294.439 2.321 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000043970841 175131713 /nfs/dbraw/zinc/13/17/13/175131713.db2.gz OUOZMMYDXKSHIH-WBVHZDCISA-N 2 2 294.439 2.321 10 0 CEAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000044746748 175242848 /nfs/dbraw/zinc/24/28/48/175242848.db2.gz UCDOBEQVUFGYQA-IRXDYDNUSA-N 2 2 272.392 2.453 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1ccc(F)cc1 ZINC000045043398 175294644 /nfs/dbraw/zinc/29/46/44/175294644.db2.gz DNJVOFDZALOKKX-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1ccc(F)cc1 ZINC000045043398 175294646 /nfs/dbraw/zinc/29/46/46/175294646.db2.gz DNJVOFDZALOKKX-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312418 /nfs/dbraw/zinc/31/24/18/175312418.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312420 /nfs/dbraw/zinc/31/24/20/175312420.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312421 /nfs/dbraw/zinc/31/24/21/175312421.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 3 2 267.461 2.037 10 0 CEAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312422 /nfs/dbraw/zinc/31/24/22/175312422.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 3 2 267.461 2.037 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc2ccccc2n1 ZINC000045134590 175312535 /nfs/dbraw/zinc/31/25/35/175312535.db2.gz VDKFPZXBDIDBSN-UHFFFAOYSA-N 2 2 266.348 2.301 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc2ncccc2c1 ZINC000045134591 175312592 /nfs/dbraw/zinc/31/25/92/175312592.db2.gz UYYMSODEFKEBJS-UHFFFAOYSA-N 2 2 266.348 2.301 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367511 175362948 /nfs/dbraw/zinc/36/29/48/175362948.db2.gz SGGHAEXOMOZQSZ-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1CC)C(=O)OC ZINC000045367511 175362949 /nfs/dbraw/zinc/36/29/49/175362949.db2.gz SGGHAEXOMOZQSZ-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP C[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371565 175364497 /nfs/dbraw/zinc/36/44/97/175364497.db2.gz HCHFJCLBPWSFJM-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373539 175364783 /nfs/dbraw/zinc/36/47/83/175364783.db2.gz TVAFQLLIOOPCLF-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373539 175364784 /nfs/dbraw/zinc/36/47/84/175364784.db2.gz TVAFQLLIOOPCLF-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCC1)[NH2+]C1CC1 ZINC000045375313 175366109 /nfs/dbraw/zinc/36/61/09/175366109.db2.gz WFLNEEUNAUFXHJ-INIZCTEOSA-N 2 2 282.428 2.326 10 0 CEAELP C[C@H]([NH2+]C1CC(CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658351297 415333595 /nfs/dbraw/zinc/33/35/95/415333595.db2.gz MTNSIPBNBFGHQX-OPFPJEHXSA-N 2 2 271.364 2.294 10 0 CEAELP CC[C@@H]1C[C@](C[NH3+])([N@H+](C)Cc2scnc2C)CCO1 ZINC000070366685 175896738 /nfs/dbraw/zinc/89/67/38/175896738.db2.gz ASKBILBDTYFTSY-TZMCWYRMSA-N 2 2 283.441 2.170 10 0 CEAELP CC[C@@H]1C[C@](C[NH3+])([N@@H+](C)Cc2scnc2C)CCO1 ZINC000070366685 175896740 /nfs/dbraw/zinc/89/67/40/175896740.db2.gz ASKBILBDTYFTSY-TZMCWYRMSA-N 2 2 283.441 2.170 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1OCCc2ccccc21 ZINC000071099230 176033214 /nfs/dbraw/zinc/03/32/14/176033214.db2.gz JPUCSVTXMAMGGX-SWLSCSKDSA-N 2 2 271.364 2.087 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000071162181 176046535 /nfs/dbraw/zinc/04/65/35/176046535.db2.gz DOCFDOHSQXWMTL-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCn2cc[nH+]c2)C1 ZINC000071200797 176077498 /nfs/dbraw/zinc/07/74/98/176077498.db2.gz QNXUBTPRVGYSIN-HNNXBMFYSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2)C1 ZINC000071200797 176077500 /nfs/dbraw/zinc/07/75/00/176077500.db2.gz QNXUBTPRVGYSIN-HNNXBMFYSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[NH2+][C@H]1CCCN(CCCCn2cc[nH+]c2)C1 ZINC000071200797 176077501 /nfs/dbraw/zinc/07/75/01/176077501.db2.gz QNXUBTPRVGYSIN-HNNXBMFYSA-N 2 2 264.417 2.126 10 0 CEAELP COc1cc2[nH]c([C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])[nH+]c2cc1OC ZINC000079558306 177519959 /nfs/dbraw/zinc/51/99/59/177519959.db2.gz LGABERIFIMPUSD-PPZCWDAYSA-N 2 2 287.363 2.421 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc2[nH+]1 ZINC000136355651 419445337 /nfs/dbraw/zinc/44/53/37/419445337.db2.gz QULVMHOAHIJAKH-NSHDSACASA-N 2 2 260.341 2.183 10 0 CEAELP C[C@@H]([NH3+])[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000079048714 278317721 /nfs/dbraw/zinc/31/77/21/278317721.db2.gz RFTGBYIENARVQS-NEPJUHHUSA-N 2 2 258.369 2.137 10 0 CEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184567022 280117370 /nfs/dbraw/zinc/11/73/70/280117370.db2.gz ODGSCFJVIYYMNV-ZIAGYGMSSA-N 2 2 283.379 2.367 10 0 CEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000184567022 280117376 /nfs/dbraw/zinc/11/73/76/280117376.db2.gz ODGSCFJVIYYMNV-ZIAGYGMSSA-N 2 2 283.379 2.367 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(OC)c1 ZINC000396586140 280674741 /nfs/dbraw/zinc/67/47/41/280674741.db2.gz VBQSROAPZGINTP-ZOWXZIJZSA-N 2 2 278.396 2.495 10 0 CEAELP C[C@@H]1C[NH+](CCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157902771 289224615 /nfs/dbraw/zinc/22/46/15/289224615.db2.gz ZQLDJBAMDDRNMC-BETUJISGSA-N 2 2 274.499 2.251 10 0 CEAELP C[C@@H]1C[NH+](CCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000157902771 289224617 /nfs/dbraw/zinc/22/46/17/289224617.db2.gz ZQLDJBAMDDRNMC-BETUJISGSA-N 2 2 274.499 2.251 10 0 CEAELP C[C@@H]1C[N@H+](CCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000157902771 289224618 /nfs/dbraw/zinc/22/46/18/289224618.db2.gz ZQLDJBAMDDRNMC-BETUJISGSA-N 2 2 274.499 2.251 10 0 CEAELP C[C@@H]1C[N@@H+](CCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000157902771 289224620 /nfs/dbraw/zinc/22/46/20/289224620.db2.gz ZQLDJBAMDDRNMC-BETUJISGSA-N 2 2 274.499 2.251 10 0 CEAELP CC(C)[NH2+]CC[N@H+](C)CCCOc1ccccc1 ZINC000061815918 519721296 /nfs/dbraw/zinc/72/12/96/519721296.db2.gz XASSMFVOHISGJL-UHFFFAOYSA-N 2 2 250.386 2.385 10 0 CEAELP CC(C)[NH2+]CC[N@@H+](C)CCCOc1ccccc1 ZINC000061815918 519721298 /nfs/dbraw/zinc/72/12/98/519721298.db2.gz XASSMFVOHISGJL-UHFFFAOYSA-N 2 2 250.386 2.385 10 0 CEAELP CCC[N@H+](CCCC(=O)NC)C1(C[NH3+])CCCCCC1 ZINC000068817280 521652286 /nfs/dbraw/zinc/65/22/86/521652286.db2.gz POIKIUWAJNITGV-UHFFFAOYSA-N 2 2 283.460 2.276 10 0 CEAELP CCC[N@@H+](CCCC(=O)NC)C1(C[NH3+])CCCCCC1 ZINC000068817280 521652289 /nfs/dbraw/zinc/65/22/89/521652289.db2.gz POIKIUWAJNITGV-UHFFFAOYSA-N 2 2 283.460 2.276 10 0 CEAELP C[NH+](C)CC[NH2+]CCn1cc(Cl)c2ccccc21 ZINC000055310838 521789024 /nfs/dbraw/zinc/78/90/24/521789024.db2.gz DBPXIUVPBOBBHS-UHFFFAOYSA-N 2 2 265.788 2.446 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1(O)CCCCC1 ZINC000049555650 519339363 /nfs/dbraw/zinc/33/93/63/519339363.db2.gz XMAXDGPLSATSTN-CQSZACIVSA-N 2 2 256.434 2.248 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503877 519924318 /nfs/dbraw/zinc/92/43/18/519924318.db2.gz QMLWBZZHMVCEOK-KBPBESRZSA-N 2 2 283.441 2.122 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503877 519924324 /nfs/dbraw/zinc/92/43/24/519924324.db2.gz QMLWBZZHMVCEOK-KBPBESRZSA-N 2 2 283.441 2.122 10 0 CEAELP CC[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374686 519943069 /nfs/dbraw/zinc/94/30/69/519943069.db2.gz PTYDOUREOYZNAX-CQSZACIVSA-N 2 2 279.403 2.193 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000061230785 519968690 /nfs/dbraw/zinc/96/86/90/519968690.db2.gz MAYQTWGPGXRUPY-LBPRGKRZSA-N 2 2 272.352 2.056 10 0 CEAELP CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCC(OC)CC1 ZINC000052455486 519975191 /nfs/dbraw/zinc/97/51/91/519975191.db2.gz RWBQLAAGPLXJMO-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH2+]Cc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000052477833 520006396 /nfs/dbraw/zinc/00/63/96/520006396.db2.gz SCVXXJRZOOMHKU-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068641969 520046934 /nfs/dbraw/zinc/04/69/34/520046934.db2.gz LOLZMQKLYYXBNK-GUYCJALGSA-N 2 2 289.423 2.024 10 0 CEAELP CC[NH2+][C@](C)(C[C@H](C)n1c[nH+]c(C)c1C)C(=O)OCC ZINC000068650098 520243286 /nfs/dbraw/zinc/24/32/86/520243286.db2.gz YKNUJNVYJGNZCF-XHDPSFHLSA-N 2 2 281.400 2.382 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H](C)COC)cc1 ZINC000052920086 520427305 /nfs/dbraw/zinc/42/73/05/520427305.db2.gz RFSJSJKXXMKYOC-BBRMVZONSA-N 2 2 280.412 2.442 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)COC)cc1 ZINC000052920086 520427317 /nfs/dbraw/zinc/42/73/17/520427317.db2.gz RFSJSJKXXMKYOC-BBRMVZONSA-N 2 2 280.412 2.442 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546374 521137838 /nfs/dbraw/zinc/13/78/38/521137838.db2.gz LFVFRJOFWDAQBT-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546374 521137848 /nfs/dbraw/zinc/13/78/48/521137848.db2.gz LFVFRJOFWDAQBT-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578968 521138609 /nfs/dbraw/zinc/13/86/09/521138609.db2.gz YRIZIDRFCSMLPI-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050578968 521138616 /nfs/dbraw/zinc/13/86/16/521138616.db2.gz YRIZIDRFCSMLPI-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP CCOC(=O)[C@@]([NH3+])(Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000069191801 521174029 /nfs/dbraw/zinc/17/40/29/521174029.db2.gz UWDCNGWLVQJQJE-MRXNPFEDSA-N 2 2 287.363 2.015 10 0 CEAELP COc1c(C)c[nH+]c(C[C@]2(C[NH2+]C3CC3)CCOC2)c1C ZINC000054665270 521815840 /nfs/dbraw/zinc/81/58/40/521815840.db2.gz WMFYYXVQHPXYMQ-KRWDZBQOSA-N 2 2 290.407 2.408 10 0 CEAELP C[NH+](C)C[C@@H]1CCCN1c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000061641590 521844117 /nfs/dbraw/zinc/84/41/17/521844117.db2.gz VXNDQAMGJCDIQO-AWEZNQCLSA-N 3 2 284.407 2.224 10 0 CEAELP C[NH2+]C[C@H]1CC[C@H](Cn2c[nH+]c3cc(C)c(C)cc32)O1 ZINC000052575693 522096206 /nfs/dbraw/zinc/09/62/06/522096206.db2.gz PGSHLTXCDWIBDM-ZIAGYGMSSA-N 2 2 273.380 2.420 10 0 CEAELP C[NH2+][C@@H]1CCc2c1cccc2OCCn1cc[nH+]c1 ZINC000062799046 522397501 /nfs/dbraw/zinc/39/75/01/522397501.db2.gz NBILKKWCYDKLRT-CQSZACIVSA-N 2 2 257.337 2.169 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1ccc[nH+]c1NN ZINC000062808103 522504386 /nfs/dbraw/zinc/50/43/86/522504386.db2.gz DITYFRROSAXNJP-UHFFFAOYSA-N 2 2 267.336 2.328 10 0 CEAELP C[NH2+][C@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000068648757 522520080 /nfs/dbraw/zinc/52/00/80/522520080.db2.gz YIUJVQVLMNOAST-BDJLRTHQSA-N 2 2 289.379 2.447 10 0 CEAELP CC[C@@H]1COCC[N@@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181968 523499886 /nfs/dbraw/zinc/49/98/86/523499886.db2.gz JHTIAHJLHAUBRT-MRXNPFEDSA-N 2 2 298.471 2.140 10 0 CEAELP CC[C@@H]1COCC[N@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181968 523499889 /nfs/dbraw/zinc/49/98/89/523499889.db2.gz JHTIAHJLHAUBRT-MRXNPFEDSA-N 2 2 298.471 2.140 10 0 CEAELP CN(Cc1[nH+]ccn1C)c1cc(Cl)ccc1C[NH3+] ZINC000062787076 523594512 /nfs/dbraw/zinc/59/45/12/523594512.db2.gz PLYDAVONMXKGPI-UHFFFAOYSA-N 2 2 264.760 2.169 10 0 CEAELP COCC[NH2+][C@H](C[NH3+])c1csc2ccccc21 ZINC000054464644 523962010 /nfs/dbraw/zinc/96/20/10/523962010.db2.gz IZYJAOVYLBZHOT-GFCCVEGCSA-N 2 2 250.367 2.137 10 0 CEAELP COCCOCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704807 524003116 /nfs/dbraw/zinc/00/31/16/524003116.db2.gz GJGBAWNMLHNTOW-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP COCCOCC[N@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000068704807 524003117 /nfs/dbraw/zinc/00/31/17/524003117.db2.gz GJGBAWNMLHNTOW-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP COc1ccc(C[N@H+](C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061658122 524007311 /nfs/dbraw/zinc/00/73/11/524007311.db2.gz OJQHOKFZYJYWIQ-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP COc1ccc(C[N@@H+](C)Cc2cccnc2C(N)=[NH2+])cc1 ZINC000061658122 524007313 /nfs/dbraw/zinc/00/73/13/524007313.db2.gz OJQHOKFZYJYWIQ-UHFFFAOYSA-N 2 2 284.363 2.006 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000178308076 534780452 /nfs/dbraw/zinc/78/04/52/534780452.db2.gz ORZVQKWIJPRGRK-HNNXBMFYSA-N 2 2 263.385 2.083 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOCC1CC1 ZINC000178308076 534780458 /nfs/dbraw/zinc/78/04/58/534780458.db2.gz ORZVQKWIJPRGRK-HNNXBMFYSA-N 2 2 263.385 2.083 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630052 524428143 /nfs/dbraw/zinc/42/81/43/524428143.db2.gz XTKVHMHPSHCBLD-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630052 524428150 /nfs/dbraw/zinc/42/81/50/524428150.db2.gz XTKVHMHPSHCBLD-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000049150492 524595865 /nfs/dbraw/zinc/59/58/65/524595865.db2.gz LFAAYEYBTKPVNZ-WFASDCNBSA-N 2 2 260.381 2.453 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCCOCC(F)(F)F ZINC000049501063 524604367 /nfs/dbraw/zinc/60/43/67/524604367.db2.gz HTORDJCOWGHQRB-LBPRGKRZSA-N 2 2 282.350 2.419 10 0 CEAELP Cc1[nH+]c[nH]c1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000054794132 525462316 /nfs/dbraw/zinc/46/23/16/525462316.db2.gz LRVZJZGOQUETIJ-HNNXBMFYSA-N 2 2 258.369 2.111 10 0 CEAELP CSCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000069429985 525512472 /nfs/dbraw/zinc/51/24/72/525512472.db2.gz KIOUSFNLHSJVFN-HNNXBMFYSA-N 2 2 264.438 2.256 10 0 CEAELP CSCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000069429985 525512479 /nfs/dbraw/zinc/51/24/79/525512479.db2.gz KIOUSFNLHSJVFN-HNNXBMFYSA-N 2 2 264.438 2.256 10 0 CEAELP Cc1cc2[nH+]cn(Cc3ccc[nH+]c3NN)c2cc1C ZINC000052726187 525686864 /nfs/dbraw/zinc/68/68/64/525686864.db2.gz WELKQINULHWTNM-UHFFFAOYSA-N 2 2 267.336 2.382 10 0 CEAELP Cc1c(C)n([C@@H](C)CC[NH+](C)C)c2nc(C)[nH+]c(N)c12 ZINC000049559814 525687383 /nfs/dbraw/zinc/68/73/83/525687383.db2.gz SPBIJQPUSDZLHB-VIFPVBQESA-N 2 2 275.400 2.451 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](CCO)Cc2ccccc2)cc1 ZINC000050513930 525756788 /nfs/dbraw/zinc/75/67/88/525756788.db2.gz WIRQNEXYLWWOMG-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000050513930 525756794 /nfs/dbraw/zinc/75/67/94/525756794.db2.gz WIRQNEXYLWWOMG-GOSISDBHSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+]1CCOC[C@H]1C ZINC000052476090 526774927 /nfs/dbraw/zinc/77/49/27/526774927.db2.gz PVQNJKYFHBKATO-LLVKDONJSA-N 2 2 264.369 2.061 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+]1CCOC[C@H]1C ZINC000052476090 526774935 /nfs/dbraw/zinc/77/49/35/526774935.db2.gz PVQNJKYFHBKATO-LLVKDONJSA-N 2 2 264.369 2.061 10 0 CEAELP Cc1nc(C[NH2+]C[C@@H](C[NH3+])c2ccccc2)cs1 ZINC000061613669 526886909 /nfs/dbraw/zinc/88/69/09/526886909.db2.gz IXWSDWFPOYYGKD-CYBMUJFWSA-N 2 2 261.394 2.284 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC000130187943 536173244 /nfs/dbraw/zinc/17/32/44/536173244.db2.gz HQVZCFWJDYVXKX-CQSZACIVSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000130187943 536173247 /nfs/dbraw/zinc/17/32/47/536173247.db2.gz HQVZCFWJDYVXKX-CQSZACIVSA-N 2 2 273.384 2.016 10 0 CEAELP [NH3+]C1CCN(c2[nH]c3ccc(Br)cc3[nH+]2)CC1 ZINC000725262419 539210461 /nfs/dbraw/zinc/21/04/61/539210461.db2.gz UZKUALZMVVYVGR-UHFFFAOYSA-N 2 2 295.184 2.253 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253092304 282206807 /nfs/dbraw/zinc/20/68/07/282206807.db2.gz KRARFGZRMYXSKH-BZUAXINKSA-N 2 2 277.412 2.207 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253092304 282206813 /nfs/dbraw/zinc/20/68/13/282206813.db2.gz KRARFGZRMYXSKH-BZUAXINKSA-N 2 2 277.412 2.207 10 0 CEAELP [NH3+]C[C@H](c1ccc(Br)s1)n1cc[nH+]c1 ZINC000043263227 362141457 /nfs/dbraw/zinc/14/14/57/362141457.db2.gz DPZQZXWFRUBFEV-SSDOTTSWSA-N 2 2 272.171 2.255 10 0 CEAELP c1ccc2c(c1)[NH+]=C(NNC1=[NH+]c3ccccc3OC1)CO2 ZINC000003218422 343352451 /nfs/dbraw/zinc/35/24/51/343352451.db2.gz UYSFGAQAPHSDAW-UHFFFAOYSA-N 2 2 294.314 2.326 10 0 CEAELP CCc1cc(N2CCc3ccccc3[C@H]2C[NH3+])nc(C)[nH+]1 ZINC000227724852 344556380 /nfs/dbraw/zinc/55/63/80/344556380.db2.gz IXWMXLHJHKJWQF-MRXNPFEDSA-N 2 2 282.391 2.410 10 0 CEAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384331187 344828551 /nfs/dbraw/zinc/82/85/51/344828551.db2.gz ADKHKFCDPMGWCE-ILXRZTDVSA-N 2 2 268.445 2.248 10 0 CEAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384331187 344828554 /nfs/dbraw/zinc/82/85/54/344828554.db2.gz ADKHKFCDPMGWCE-ILXRZTDVSA-N 2 2 268.445 2.248 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000399030015 344856801 /nfs/dbraw/zinc/85/68/01/344856801.db2.gz IYINWQKWIHEUNP-GFCCVEGCSA-N 2 2 282.815 2.447 10 0 CEAELP CC[N@H+](CC(C)C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687081 345051698 /nfs/dbraw/zinc/05/16/98/345051698.db2.gz KHDMKBADAWTGHG-QGZVFWFLSA-N 2 2 278.440 2.457 10 0 CEAELP CC[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687081 345051700 /nfs/dbraw/zinc/05/17/00/345051700.db2.gz KHDMKBADAWTGHG-QGZVFWFLSA-N 2 2 278.440 2.457 10 0 CEAELP CC[NH+](CC(C)C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687081 345051702 /nfs/dbraw/zinc/05/17/02/345051702.db2.gz KHDMKBADAWTGHG-QGZVFWFLSA-N 2 2 278.440 2.457 10 0 CEAELP CC[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687081 345051704 /nfs/dbraw/zinc/05/17/04/345051704.db2.gz KHDMKBADAWTGHG-QGZVFWFLSA-N 2 2 278.440 2.457 10 0 CEAELP CC[NH2+][C@H](Cc1[nH+]ccn1C)[C@@]1(C)CCCS1 ZINC000097309718 185583400 /nfs/dbraw/zinc/58/34/00/185583400.db2.gz XPQZLNRPVADATQ-DGCLKSJQSA-N 2 2 253.415 2.226 10 0 CEAELP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000085359949 179032590 /nfs/dbraw/zinc/03/25/90/179032590.db2.gz UKFGJJJZEVTGPO-CHWSQXEVSA-N 2 2 284.363 2.328 10 0 CEAELP CC[C@H]1C[N@H+](CCCOC)C2(CCCCC2)C[NH2+]1 ZINC000085474921 179078446 /nfs/dbraw/zinc/07/84/46/179078446.db2.gz VXYVBBHUAHHCIT-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@H]1C[N@@H+](CCCOC)C2(CCCCC2)C[NH2+]1 ZINC000085474921 179078449 /nfs/dbraw/zinc/07/84/49/179078449.db2.gz VXYVBBHUAHHCIT-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085471473 179076051 /nfs/dbraw/zinc/07/60/51/179076051.db2.gz DIKMSRWEPJKOFO-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085471473 179076053 /nfs/dbraw/zinc/07/60/53/179076053.db2.gz DIKMSRWEPJKOFO-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085512045 179085830 /nfs/dbraw/zinc/08/58/30/179085830.db2.gz BNQBETSOHBMWIE-SJORKVTESA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085512045 179085831 /nfs/dbraw/zinc/08/58/31/179085831.db2.gz BNQBETSOHBMWIE-SJORKVTESA-N 2 2 290.455 2.372 10 0 CEAELP C[C@H]([NH3+])c1nc(C[N@H+](C)[C@@H]2CCSC2)cs1 ZINC000085549780 179093199 /nfs/dbraw/zinc/09/31/99/179093199.db2.gz BZQKFXOKCIPDGI-WCBMZHEXSA-N 2 2 257.428 2.100 10 0 CEAELP C[C@H]([NH3+])c1nc(C[N@@H+](C)[C@@H]2CCSC2)cs1 ZINC000085549780 179093201 /nfs/dbraw/zinc/09/32/01/179093201.db2.gz BZQKFXOKCIPDGI-WCBMZHEXSA-N 2 2 257.428 2.100 10 0 CEAELP CC(C)Cc1nc2c(n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000085568583 179094924 /nfs/dbraw/zinc/09/49/24/179094924.db2.gz QBVNQVFSVRLLGK-UHFFFAOYSA-N 2 2 287.411 2.014 10 0 CEAELP CCC1(CC)C[N@H+](Cc2ncccn2)[C@@H](C)CC[NH2+]1 ZINC000085627848 179107038 /nfs/dbraw/zinc/10/70/38/179107038.db2.gz RHXOGAVUMPCFPK-ZDUSSCGKSA-N 2 2 262.401 2.219 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2ncccn2)[C@@H](C)CC[NH2+]1 ZINC000085627848 179107040 /nfs/dbraw/zinc/10/70/40/179107040.db2.gz RHXOGAVUMPCFPK-ZDUSSCGKSA-N 2 2 262.401 2.219 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000085611564 179102140 /nfs/dbraw/zinc/10/21/40/179102140.db2.gz KIYFSFVPTBKWPD-UHFFFAOYSA-N 2 2 278.396 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+]C(C)(C)C2)cc1OC ZINC000085611564 179102141 /nfs/dbraw/zinc/10/21/41/179102141.db2.gz KIYFSFVPTBKWPD-UHFFFAOYSA-N 2 2 278.396 2.278 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1F ZINC000085611762 179102400 /nfs/dbraw/zinc/10/24/00/179102400.db2.gz AWUPGQJUBIAVJW-UHFFFAOYSA-N 2 2 266.360 2.408 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+]C(C)(C)C2)cc1F ZINC000085611762 179102401 /nfs/dbraw/zinc/10/24/01/179102401.db2.gz AWUPGQJUBIAVJW-UHFFFAOYSA-N 2 2 266.360 2.408 10 0 CEAELP CO[C@H]1CCC[C@H]([N@@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616379 179104793 /nfs/dbraw/zinc/10/47/93/179104793.db2.gz HPELTXITXHJFGJ-KKUMJFAQSA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@H]1CCC[C@H]([N@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616379 179104796 /nfs/dbraw/zinc/10/47/96/179104796.db2.gz HPELTXITXHJFGJ-KKUMJFAQSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618978 179105755 /nfs/dbraw/zinc/10/57/55/179105755.db2.gz UGWAJZPRCVCTIA-NJAFHUGGSA-N 2 2 288.435 2.318 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085618978 179105757 /nfs/dbraw/zinc/10/57/57/179105757.db2.gz UGWAJZPRCVCTIA-NJAFHUGGSA-N 2 2 288.435 2.318 10 0 CEAELP C[NH2+][C@@H](Cc1cc(Br)cs1)C[NH+](C)C ZINC000085798790 179172642 /nfs/dbraw/zinc/17/26/42/179172642.db2.gz YGZQWQWFCPYPQI-VIFPVBQESA-N 2 2 277.231 2.203 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000336829509 365892656 /nfs/dbraw/zinc/89/26/56/365892656.db2.gz ASYOMNODPGXBOK-SWLSCSKDSA-N 2 2 280.387 2.240 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1F ZINC000336829509 365892661 /nfs/dbraw/zinc/89/26/61/365892661.db2.gz ASYOMNODPGXBOK-SWLSCSKDSA-N 2 2 280.387 2.240 10 0 CEAELP CC[C@@H]1C[NH2+][C@@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261357 179259992 /nfs/dbraw/zinc/25/99/92/179259992.db2.gz JBFDCTUIJSLFOV-KBXIAJHMSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@H]1C[NH2+][C@@](C)(CC)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261357 179259994 /nfs/dbraw/zinc/25/99/94/179259994.db2.gz JBFDCTUIJSLFOV-KBXIAJHMSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@]1(C)C[N@H+]([C@@H]2CCCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000086265158 179261777 /nfs/dbraw/zinc/26/17/77/179261777.db2.gz XXFMPIMACHXZTE-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@]1(C)C[N@@H+]([C@@H]2CCCOC2)[C@H](C(C)C)C[NH2+]1 ZINC000086265158 179261780 /nfs/dbraw/zinc/26/17/80/179261780.db2.gz XXFMPIMACHXZTE-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296390 179267471 /nfs/dbraw/zinc/26/74/71/179267471.db2.gz NYVCRXNCUHQWEM-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296390 179267473 /nfs/dbraw/zinc/26/74/73/179267473.db2.gz NYVCRXNCUHQWEM-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000086296399 179267632 /nfs/dbraw/zinc/26/76/32/179267632.db2.gz YGISMZNBJBCHLD-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)cn1 ZINC000086296399 179267633 /nfs/dbraw/zinc/26/76/33/179267633.db2.gz YGISMZNBJBCHLD-HNNXBMFYSA-N 2 2 277.412 2.300 10 0 CEAELP CC(C)C[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297904 179268596 /nfs/dbraw/zinc/26/85/96/179268596.db2.gz YTJWSAOKYOKQNV-AWEZNQCLSA-N 2 2 267.442 2.396 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297904 179268598 /nfs/dbraw/zinc/26/85/98/179268598.db2.gz YTJWSAOKYOKQNV-AWEZNQCLSA-N 2 2 267.442 2.396 10 0 CEAELP CCC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@H+](CC)CCO1 ZINC000086654272 179316662 /nfs/dbraw/zinc/31/66/62/179316662.db2.gz OJIVXIHFRVVDPP-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP CCC[NH2+][C@H](Cc1ccccc1)[C@H]1C[N@@H+](CC)CCO1 ZINC000086654272 179316664 /nfs/dbraw/zinc/31/66/64/179316664.db2.gz OJIVXIHFRVVDPP-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817425 179345099 /nfs/dbraw/zinc/34/50/99/179345099.db2.gz ZFFULUFZEJUXAG-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817425 179345101 /nfs/dbraw/zinc/34/51/01/179345101.db2.gz ZFFULUFZEJUXAG-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH2+][C@@]1(c2nc(C)cs2)CCC[N@H+](C)CC1 ZINC000086833660 179350492 /nfs/dbraw/zinc/35/04/92/179350492.db2.gz UOHVRMQCHOBFPB-ZDUSSCGKSA-N 2 2 253.415 2.372 10 0 CEAELP CC[NH2+][C@@]1(c2nc(C)cs2)CCC[N@@H+](C)CC1 ZINC000086833660 179350494 /nfs/dbraw/zinc/35/04/94/179350494.db2.gz UOHVRMQCHOBFPB-ZDUSSCGKSA-N 2 2 253.415 2.372 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840462 179353977 /nfs/dbraw/zinc/35/39/77/179353977.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840462 179353980 /nfs/dbraw/zinc/35/39/80/179353980.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 3 2 267.461 2.325 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2[nH+]ccn2C)CC1 ZINC000086891362 179366518 /nfs/dbraw/zinc/36/65/18/179366518.db2.gz GGXAYXQRJJEZGX-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1F ZINC000086992324 179375522 /nfs/dbraw/zinc/37/55/22/179375522.db2.gz DLDYYMDPRVVVPK-OAHLLOKOSA-N 2 2 296.386 2.193 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1F ZINC000086992324 179375524 /nfs/dbraw/zinc/37/55/24/179375524.db2.gz DLDYYMDPRVVVPK-OAHLLOKOSA-N 2 2 296.386 2.193 10 0 CEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047937 179388188 /nfs/dbraw/zinc/38/81/88/179388188.db2.gz OMZNNIZLFWMIJB-AWEZNQCLSA-N 2 2 268.445 2.392 10 0 CEAELP C[N@H+]1CCCC[C@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047937 179388189 /nfs/dbraw/zinc/38/81/89/179388189.db2.gz OMZNNIZLFWMIJB-AWEZNQCLSA-N 2 2 268.445 2.392 10 0 CEAELP CC(C)[N@@H+]1CCO[C@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063761 179389884 /nfs/dbraw/zinc/38/98/84/179389884.db2.gz KXVZIODVYCDYAB-OAHLLOKOSA-N 2 2 298.471 2.017 10 0 CEAELP CC(C)[N@H+]1CCO[C@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087063761 179389885 /nfs/dbraw/zinc/38/98/85/179389885.db2.gz KXVZIODVYCDYAB-OAHLLOKOSA-N 2 2 298.471 2.017 10 0 CEAELP CC[C@@H]1CN(Cc2c[nH+]cn2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000091273067 180118060 /nfs/dbraw/zinc/11/80/60/180118060.db2.gz ZDGQZMISRPMLEG-KGLIPLIRSA-N 2 2 264.417 2.426 10 0 CEAELP O[C@@H](c1c[nH+]cn1C1CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091277387 180119962 /nfs/dbraw/zinc/11/99/62/180119962.db2.gz QCUBQQYUUYPSST-CVEARBPZSA-N 2 2 269.348 2.138 10 0 CEAELP CCCCN([C@@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CC1 ZINC000091276377 180120247 /nfs/dbraw/zinc/12/02/47/180120247.db2.gz NWEGNWNGNXLSAO-AWEZNQCLSA-N 2 2 262.401 2.482 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1OC)[N@H+](C)CC1CC(O)C1 ZINC000091451138 180158981 /nfs/dbraw/zinc/15/89/81/180158981.db2.gz ZHKRVUSVRHVRNO-SGALNCENSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1OC)[N@@H+](C)CC1CC(O)C1 ZINC000091451138 180158982 /nfs/dbraw/zinc/15/89/82/180158982.db2.gz ZHKRVUSVRHVRNO-SGALNCENSA-N 2 2 292.423 2.176 10 0 CEAELP CCn1cc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564431 180193699 /nfs/dbraw/zinc/19/36/99/180193699.db2.gz CHYGCHPOROOEIU-AWEZNQCLSA-N 2 2 264.417 2.037 10 0 CEAELP CC[NH2+][C@@H](c1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571210 180195634 /nfs/dbraw/zinc/19/56/34/180195634.db2.gz WNNFZCXFRMDGGQ-KBPBESRZSA-N 2 2 250.390 2.045 10 0 CEAELP CCC[NH2+][C@H](c1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571891 180196187 /nfs/dbraw/zinc/19/61/87/180196187.db2.gz MDIDLHZZBFNSCS-CABCVRRESA-N 2 2 264.417 2.435 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720900 180236167 /nfs/dbraw/zinc/23/61/67/180236167.db2.gz HTBQKNMXDDBEED-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720900 180236171 /nfs/dbraw/zinc/23/61/71/180236171.db2.gz HTBQKNMXDDBEED-DJIMGWMZSA-N 2 2 274.408 2.427 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccccc1OC)C[NH+](C)C ZINC000091720132 180236188 /nfs/dbraw/zinc/23/61/88/180236188.db2.gz OPJHHZLFJJFQPR-AWEZNQCLSA-N 2 2 250.386 2.168 10 0 CEAELP CC[NH2+][C@H]1CCCc2sc([C@@H]3C[N@H+](C)CCO3)nc21 ZINC000091722551 180240062 /nfs/dbraw/zinc/24/00/62/180240062.db2.gz WQDKGVWAOGCJIM-QWRGUYRKSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@H]1CCCc2sc([C@@H]3C[N@@H+](C)CCO3)nc21 ZINC000091722551 180240063 /nfs/dbraw/zinc/24/00/63/180240063.db2.gz WQDKGVWAOGCJIM-QWRGUYRKSA-N 2 2 281.425 2.133 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926352 180287242 /nfs/dbraw/zinc/28/72/42/180287242.db2.gz QKJCZZXURQAOOW-IAGOWNOFSA-N 2 2 285.391 2.169 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091926161 180287459 /nfs/dbraw/zinc/28/74/59/180287459.db2.gz POMMJZBAZYRXIS-IRXDYDNUSA-N 2 2 285.391 2.169 10 0 CEAELP CC[N@@H+]1CCO[C@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092052756 180312527 /nfs/dbraw/zinc/31/25/27/180312527.db2.gz VVLXSJFNOAFDQU-QGZVFWFLSA-N 2 2 289.423 2.419 10 0 CEAELP CC[N@H+]1CCO[C@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092052756 180312530 /nfs/dbraw/zinc/31/25/30/180312530.db2.gz VVLXSJFNOAFDQU-QGZVFWFLSA-N 2 2 289.423 2.419 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054148 180313457 /nfs/dbraw/zinc/31/34/57/180313457.db2.gz KPAVYRZLQPJUQG-UKRRQHHQSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054148 180313458 /nfs/dbraw/zinc/31/34/58/180313458.db2.gz KPAVYRZLQPJUQG-UKRRQHHQSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054249 180314146 /nfs/dbraw/zinc/31/41/46/180314146.db2.gz DVTNYRQJKJMUNG-HOTGVXAUSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054249 180314148 /nfs/dbraw/zinc/31/41/48/180314148.db2.gz DVTNYRQJKJMUNG-HOTGVXAUSA-N 2 2 278.396 2.067 10 0 CEAELP C[C@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)[NH+]1CCCC1 ZINC000092021876 180308143 /nfs/dbraw/zinc/30/81/43/180308143.db2.gz XKVDCBZXCABFHL-OAHLLOKOSA-N 2 2 284.407 2.446 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1COc2ccccc21 ZINC000092306746 180360178 /nfs/dbraw/zinc/36/01/78/180360178.db2.gz VYFSMEHYNYDPQJ-CYBMUJFWSA-N 2 2 271.364 2.477 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCCCO)C1 ZINC000105922504 186090575 /nfs/dbraw/zinc/09/05/75/186090575.db2.gz DKDAYOGUUGZRES-CQSZACIVSA-N 2 2 265.401 2.245 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCCCO)C1 ZINC000105922504 186090577 /nfs/dbraw/zinc/09/05/77/186090577.db2.gz DKDAYOGUUGZRES-CQSZACIVSA-N 2 2 265.401 2.245 10 0 CEAELP CCc1nc(C[NH+](C)C)nc(CC)c1CC[NH2+]C(C)C ZINC000092318754 180361760 /nfs/dbraw/zinc/36/17/60/180361760.db2.gz YFLJPVBKMWBWQW-UHFFFAOYSA-N 2 2 278.444 2.204 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)OC(C)(C)C)C1 ZINC000105922487 186091173 /nfs/dbraw/zinc/09/11/73/186091173.db2.gz XKAHCMCMMXMANF-ZDUSSCGKSA-N 2 2 293.411 2.424 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000105922487 186091175 /nfs/dbraw/zinc/09/11/75/186091175.db2.gz XKAHCMCMMXMANF-ZDUSSCGKSA-N 2 2 293.411 2.424 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000092339777 180365342 /nfs/dbraw/zinc/36/53/42/180365342.db2.gz POTBQHCBUQUZNC-IINYFYTJSA-N 2 2 251.374 2.111 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@@H]1C ZINC000092339777 180365344 /nfs/dbraw/zinc/36/53/44/180365344.db2.gz POTBQHCBUQUZNC-IINYFYTJSA-N 2 2 251.374 2.111 10 0 CEAELP NNc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369245 180370173 /nfs/dbraw/zinc/37/01/73/180370173.db2.gz QHWPFTCKJVRFJV-CHWSQXEVSA-N 2 2 260.385 2.379 10 0 CEAELP NNc1cccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH+]1 ZINC000092369245 180370175 /nfs/dbraw/zinc/37/01/75/180370175.db2.gz QHWPFTCKJVRFJV-CHWSQXEVSA-N 2 2 260.385 2.379 10 0 CEAELP CCCNc1cccc(CN2CCC[C@@H]2C[NH+](C)C)[nH+]1 ZINC000092370287 180370336 /nfs/dbraw/zinc/37/03/36/180370336.db2.gz UEFYOJPRZYPKIB-OAHLLOKOSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1cc[nH+]c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000092418477 180381117 /nfs/dbraw/zinc/38/11/17/180381117.db2.gz ZKKIEOIXYVTHAL-UHFFFAOYSA-N 3 2 276.428 2.287 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417266 180381217 /nfs/dbraw/zinc/38/12/17/180381217.db2.gz MGZCCOJAHSSJQF-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417266 180381218 /nfs/dbraw/zinc/38/12/18/180381218.db2.gz MGZCCOJAHSSJQF-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP CCNc1cc[nH+]c(C[NH+]2CCC(C(=O)OCC)CC2)c1 ZINC000092418079 180381268 /nfs/dbraw/zinc/38/12/68/180381268.db2.gz LCVVISQDHBYMSA-UHFFFAOYSA-N 2 2 291.395 2.289 10 0 CEAELP Nc1cc[nH+]c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000092419396 180382753 /nfs/dbraw/zinc/38/27/53/180382753.db2.gz HAGANDYCLPEFHI-UHFFFAOYSA-N 2 2 259.275 2.438 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@@H]([NH3+])C3)cc1 ZINC000107827629 186194431 /nfs/dbraw/zinc/19/44/31/186194431.db2.gz NOXGJMYEZJTFPH-CMPLNLGQSA-N 2 2 257.337 2.393 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+]CC(C)(C)C)nc[nH+]1 ZINC000109070365 186242497 /nfs/dbraw/zinc/24/24/97/186242497.db2.gz XFMRFXUNUDAPHE-LBPRGKRZSA-N 2 2 277.416 2.123 10 0 CEAELP CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555014 186263057 /nfs/dbraw/zinc/26/30/57/186263057.db2.gz YULANXIKPJDANA-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555014 186263059 /nfs/dbraw/zinc/26/30/59/186263059.db2.gz YULANXIKPJDANA-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CCC[N@H+](CCCC(=O)N(CC)CC)[C@@H]1CCC[NH2+]C1 ZINC000110945567 186335339 /nfs/dbraw/zinc/33/53/39/186335339.db2.gz PQCIWXIRPRTLEX-OAHLLOKOSA-N 2 2 283.460 2.099 10 0 CEAELP CCC[N@@H+](CCCC(=O)N(CC)CC)[C@@H]1CCC[NH2+]C1 ZINC000110945567 186335341 /nfs/dbraw/zinc/33/53/41/186335341.db2.gz PQCIWXIRPRTLEX-OAHLLOKOSA-N 2 2 283.460 2.099 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154476 186361270 /nfs/dbraw/zinc/36/12/70/186361270.db2.gz WMGKHJZKGBXIFK-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154476 186361272 /nfs/dbraw/zinc/36/12/72/186361272.db2.gz WMGKHJZKGBXIFK-GRDNDAEWSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156068 186361601 /nfs/dbraw/zinc/36/16/01/186361601.db2.gz CVUXKFRSPUJZOK-SUMWQHHRSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156068 186361603 /nfs/dbraw/zinc/36/16/03/186361603.db2.gz CVUXKFRSPUJZOK-SUMWQHHRSA-N 2 2 292.423 2.442 10 0 CEAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111158490 186362212 /nfs/dbraw/zinc/36/22/12/186362212.db2.gz HDZXUCYULCHWSM-JSGCOSHPSA-N 2 2 266.385 2.200 10 0 CEAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111158490 186362213 /nfs/dbraw/zinc/36/22/13/186362213.db2.gz HDZXUCYULCHWSM-JSGCOSHPSA-N 2 2 266.385 2.200 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111136047 186357906 /nfs/dbraw/zinc/35/79/06/186357906.db2.gz MFRCOSDHOQJQGH-AWEZNQCLSA-N 3 2 293.455 2.359 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111136047 186357907 /nfs/dbraw/zinc/35/79/07/186357907.db2.gz MFRCOSDHOQJQGH-AWEZNQCLSA-N 3 2 293.455 2.359 10 0 CEAELP CC[C@@H]1CCC(=O)[C@@H](C[N@H+](C)CCC[NH+](C)C)C1 ZINC000111146569 186358534 /nfs/dbraw/zinc/35/85/34/186358534.db2.gz VUCKBUPKDDXVLT-ZIAGYGMSSA-N 2 2 254.418 2.265 10 0 CEAELP CC[C@@H]1CCC(=O)[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000111146569 186358536 /nfs/dbraw/zinc/35/85/36/186358536.db2.gz VUCKBUPKDDXVLT-ZIAGYGMSSA-N 2 2 254.418 2.265 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154779 186360149 /nfs/dbraw/zinc/36/01/49/186360149.db2.gz PSLPJXQZLMPQHU-VNHYZAJKSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154779 186360150 /nfs/dbraw/zinc/36/01/50/186360150.db2.gz PSLPJXQZLMPQHU-VNHYZAJKSA-N 2 2 266.385 2.335 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160983 186364387 /nfs/dbraw/zinc/36/43/87/186364387.db2.gz ULNOWCDWQLAUEB-SOUVJXGZSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160983 186364389 /nfs/dbraw/zinc/36/43/89/186364389.db2.gz ULNOWCDWQLAUEB-SOUVJXGZSA-N 2 2 254.418 2.266 10 0 CEAELP C[N@H+](Cc1ccccn1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325501 186399154 /nfs/dbraw/zinc/39/91/54/186399154.db2.gz ORTBTJMZZPQOBH-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1ccccn1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325501 186399156 /nfs/dbraw/zinc/39/91/56/186399156.db2.gz ORTBTJMZZPQOBH-KRWDZBQOSA-N 2 2 289.423 2.062 10 0 CEAELP COc1ccc[nH+]c1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000630518070 351770034 /nfs/dbraw/zinc/77/00/34/351770034.db2.gz WBFWKTOZTBKIAW-CQSZACIVSA-N 2 2 275.396 2.306 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc(C(F)(F)F)cn2)CC1 ZINC000095080968 283435854 /nfs/dbraw/zinc/43/58/54/283435854.db2.gz JCSWAOZMGDQTRZ-UHFFFAOYSA-N 2 2 273.302 2.239 10 0 CEAELP [NH3+]Cc1nc(C[NH+]2CCC3(CCCCC3)CC2)no1 ZINC000261559035 283531597 /nfs/dbraw/zinc/53/15/97/283531597.db2.gz JLFPOBWHJXACQA-UHFFFAOYSA-N 2 2 264.373 2.075 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1noc(C2CC2)n1 ZINC000178303322 189104285 /nfs/dbraw/zinc/10/42/85/189104285.db2.gz HGKAXQDBGZNKPR-CYBMUJFWSA-N 2 2 287.367 2.117 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1noc(C2CC2)n1 ZINC000178303322 189104286 /nfs/dbraw/zinc/10/42/86/189104286.db2.gz HGKAXQDBGZNKPR-CYBMUJFWSA-N 2 2 287.367 2.117 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890586 367612113 /nfs/dbraw/zinc/61/21/13/367612113.db2.gz SXGUDUBYNCJQBP-KBPBESRZSA-N 2 2 262.401 2.038 10 0 CEAELP CCc1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000231454426 370478772 /nfs/dbraw/zinc/47/87/72/370478772.db2.gz ALYYWBAREMOUGT-GFCCVEGCSA-N 2 2 253.415 2.279 10 0 CEAELP CCc1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000231454426 370478774 /nfs/dbraw/zinc/47/87/74/370478774.db2.gz ALYYWBAREMOUGT-GFCCVEGCSA-N 2 2 253.415 2.279 10 0 CEAELP Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000246872345 371024484 /nfs/dbraw/zinc/02/44/84/371024484.db2.gz FOZQGMSKISBTDL-TZMCWYRMSA-N 2 2 272.396 2.335 10 0 CEAELP Cc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000246872345 371024491 /nfs/dbraw/zinc/02/44/91/371024491.db2.gz FOZQGMSKISBTDL-TZMCWYRMSA-N 2 2 272.396 2.335 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000261601786 371673250 /nfs/dbraw/zinc/67/32/50/371673250.db2.gz BTJFFPKXIZKUDZ-USXIJHARSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000261601786 371673256 /nfs/dbraw/zinc/67/32/56/371673256.db2.gz BTJFFPKXIZKUDZ-USXIJHARSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@@H]12 ZINC000261548591 371641605 /nfs/dbraw/zinc/64/16/05/371641605.db2.gz JSBHULNAQQSQFR-ZWKOPEQDSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cn3)C[C@@H]12 ZINC000261548591 371641608 /nfs/dbraw/zinc/64/16/08/371641608.db2.gz JSBHULNAQQSQFR-ZWKOPEQDSA-N 2 2 296.212 2.013 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1[NH3+] ZINC000261990470 371792610 /nfs/dbraw/zinc/79/26/10/371792610.db2.gz KEQQBIBUTBJTIU-MFKMUULPSA-N 2 2 270.323 2.110 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)C[C@@H]1[NH3+] ZINC000261990470 371792619 /nfs/dbraw/zinc/79/26/19/371792619.db2.gz KEQQBIBUTBJTIU-MFKMUULPSA-N 2 2 270.323 2.110 10 0 CEAELP C[C@H]1C[N@H+](CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048323 371811495 /nfs/dbraw/zinc/81/14/95/371811495.db2.gz PYIHBLSMVZNJDS-JSGCOSHPSA-N 2 2 250.411 2.199 10 0 CEAELP C[C@H]1C[N@@H+](CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048323 371811500 /nfs/dbraw/zinc/81/15/00/371811500.db2.gz PYIHBLSMVZNJDS-JSGCOSHPSA-N 2 2 250.411 2.199 10 0 CEAELP C[N@@H+](Cc1ccc(Br)o1)C[C@H]1CC[NH+](C)C1 ZINC000276768423 374293740 /nfs/dbraw/zinc/29/37/40/374293740.db2.gz NXSHZMHZKBRPJF-JTQLQIEISA-N 2 2 287.201 2.426 10 0 CEAELP C[N@H+](Cc1ccc(Br)o1)C[C@H]1CC[NH+](C)C1 ZINC000276768423 374293744 /nfs/dbraw/zinc/29/37/44/374293744.db2.gz NXSHZMHZKBRPJF-JTQLQIEISA-N 2 2 287.201 2.426 10 0 CEAELP C[NH+](Cc1ccc(Br)o1)C[C@H]1CC[N@H+](C)C1 ZINC000276768423 374293748 /nfs/dbraw/zinc/29/37/48/374293748.db2.gz NXSHZMHZKBRPJF-JTQLQIEISA-N 2 2 287.201 2.426 10 0 CEAELP C[NH+](Cc1ccc(Br)o1)C[C@H]1CC[N@@H+](C)C1 ZINC000276768423 374293751 /nfs/dbraw/zinc/29/37/51/374293751.db2.gz NXSHZMHZKBRPJF-JTQLQIEISA-N 2 2 287.201 2.426 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000389262491 375301004 /nfs/dbraw/zinc/30/10/04/375301004.db2.gz OZMGVQHFDHRZEI-CQSZACIVSA-N 2 2 271.364 2.124 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000389262491 375301012 /nfs/dbraw/zinc/30/10/12/375301012.db2.gz OZMGVQHFDHRZEI-CQSZACIVSA-N 2 2 271.364 2.124 10 0 CEAELP C[NH+](C)C[C@H](N[C@@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000293880543 377804097 /nfs/dbraw/zinc/80/40/97/377804097.db2.gz FRQIOWRGSLYILW-CABCVRRESA-N 2 2 270.380 2.220 10 0 CEAELP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000188411897 542321604 /nfs/dbraw/zinc/32/16/04/542321604.db2.gz ICQNWIAJFAMARU-CQSZACIVSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000188411897 542321609 /nfs/dbraw/zinc/32/16/09/542321609.db2.gz ICQNWIAJFAMARU-CQSZACIVSA-N 2 2 281.363 2.195 10 0 CEAELP CCC[NH2+][C@@H](CCc1ccccc1)[C@H]1C[N@H+](C)CCN1C ZINC000093896013 184740628 /nfs/dbraw/zinc/74/06/28/184740628.db2.gz ZTPLHLPTJYPRSO-ZWKOTPCHSA-N 2 2 289.467 2.233 10 0 CEAELP CCC[NH2+][C@@H](CCc1ccccc1)[C@H]1C[N@@H+](C)CCN1C ZINC000093896013 184740629 /nfs/dbraw/zinc/74/06/29/184740629.db2.gz ZTPLHLPTJYPRSO-ZWKOTPCHSA-N 2 2 289.467 2.233 10 0 CEAELP CCCNc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000094465248 184805140 /nfs/dbraw/zinc/80/51/40/184805140.db2.gz ZEZGJRJWFUETDS-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP CCCNc1cccc(CN2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000094465248 184805141 /nfs/dbraw/zinc/80/51/41/184805141.db2.gz ZEZGJRJWFUETDS-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc[nH+]1 ZINC000180609458 395205115 /nfs/dbraw/zinc/20/51/15/395205115.db2.gz JQFZTKTWFCQYLZ-CQSZACIVSA-N 2 2 285.351 2.283 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553584 395215931 /nfs/dbraw/zinc/21/59/31/395215931.db2.gz PUICNQCOHVQZQU-OBJOEFQTSA-N 2 2 276.380 2.249 10 0 CEAELP C[C@@H](NC(=O)C[NH2+]CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862684 165264829 /nfs/dbraw/zinc/26/48/29/165264829.db2.gz DLBGOURUFJKHSP-CYBMUJFWSA-N 2 2 298.390 2.049 10 0 CEAELP CCc1ccccc1OC[C@H](C[NH3+])[NH+]1CCCCC1 ZINC000020400805 171181774 /nfs/dbraw/zinc/18/17/74/171181774.db2.gz KFCHZYAEJNPTDN-HNNXBMFYSA-N 2 2 262.397 2.441 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000037174469 173008983 /nfs/dbraw/zinc/00/89/83/173008983.db2.gz VAZFEXPHGNVKFB-GWCFXTLKSA-N 2 2 272.364 2.402 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(F)c(F)c1)[C@H]1CCSC1 ZINC000037174469 173008985 /nfs/dbraw/zinc/00/89/85/173008985.db2.gz VAZFEXPHGNVKFB-GWCFXTLKSA-N 2 2 272.364 2.402 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000037240625 173057279 /nfs/dbraw/zinc/05/72/79/173057279.db2.gz OLBPLUDHIVJQRX-OAHLLOKOSA-N 2 2 262.397 2.312 10 0 CEAELP CCC[NH2+][C@@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000037240625 173057280 /nfs/dbraw/zinc/05/72/80/173057280.db2.gz OLBPLUDHIVJQRX-OAHLLOKOSA-N 2 2 262.397 2.312 10 0 CEAELP C[C@H](CN[C@@H](c1cccs1)c1[nH+]ccn1C)[NH+](C)C ZINC000038087560 174099907 /nfs/dbraw/zinc/09/99/07/174099907.db2.gz YNFYFWSBPMHXCD-YPMHNXCESA-N 2 2 278.425 2.111 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038087986 174100885 /nfs/dbraw/zinc/10/08/85/174100885.db2.gz YIQPIAQCEDFNES-KGLIPLIRSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1nc2ccccc2n1C ZINC000040638811 174363256 /nfs/dbraw/zinc/36/32/56/174363256.db2.gz VZLLUXKAVXASFE-LBPRGKRZSA-N 2 2 283.379 2.200 10 0 CEAELP COc1ccc2c(c1)[C@@H]([NH2+]CCc1[nH+]ccn1C)CCO2 ZINC000040639313 174363815 /nfs/dbraw/zinc/36/38/15/174363815.db2.gz UGTDWKKEHKZEAQ-AWEZNQCLSA-N 2 2 287.363 2.085 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])Cc2ccccc2)CC1 ZINC000040678717 174374710 /nfs/dbraw/zinc/37/47/10/174374710.db2.gz MXNHIAJDKPXRBX-OAHLLOKOSA-N 2 2 262.397 2.057 10 0 CEAELP CCOC1CC[NH+](C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690177 174376921 /nfs/dbraw/zinc/37/69/21/174376921.db2.gz ZCDINIOIMDPGKO-FMKPAKJESA-N 2 2 266.429 2.408 10 0 CEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717581 174384829 /nfs/dbraw/zinc/38/48/29/174384829.db2.gz NIHISDLDIDBVTH-CJNGLKHVSA-N 2 2 270.380 2.214 10 0 CEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717581 174384830 /nfs/dbraw/zinc/38/48/30/174384830.db2.gz NIHISDLDIDBVTH-CJNGLKHVSA-N 2 2 270.380 2.214 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1F ZINC000040750457 174395753 /nfs/dbraw/zinc/39/57/53/174395753.db2.gz RQXIJPZTZPASCZ-YOGCLGLASA-N 2 2 252.308 2.419 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1F ZINC000040750457 174395755 /nfs/dbraw/zinc/39/57/55/174395755.db2.gz RQXIJPZTZPASCZ-YOGCLGLASA-N 2 2 252.308 2.419 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCC1 ZINC000043336150 175012189 /nfs/dbraw/zinc/01/21/89/175012189.db2.gz HHBJEPIOAIPKGD-UKRRQHHQSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCC1 ZINC000043336150 175012190 /nfs/dbraw/zinc/01/21/90/175012190.db2.gz HHBJEPIOAIPKGD-UKRRQHHQSA-N 2 2 266.385 2.295 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340833 175014239 /nfs/dbraw/zinc/01/42/39/175014239.db2.gz SGFYOWGETBRPMY-GDBMZVCRSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340833 175014241 /nfs/dbraw/zinc/01/42/41/175014241.db2.gz SGFYOWGETBRPMY-GDBMZVCRSA-N 2 2 279.428 2.343 10 0 CEAELP CCC[NH+]1CCC(Nc2[nH+]c(C)ccc2C(N)=S)CC1 ZINC000043396923 175036745 /nfs/dbraw/zinc/03/67/45/175036745.db2.gz CCDBTDRJHGUPNN-UHFFFAOYSA-N 2 2 292.452 2.311 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811306 175110596 /nfs/dbraw/zinc/11/05/96/175110596.db2.gz DQJLDFVESHTIGH-XLWJZTARSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811306 175110597 /nfs/dbraw/zinc/11/05/97/175110597.db2.gz DQJLDFVESHTIGH-XLWJZTARSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811476 175110960 /nfs/dbraw/zinc/11/09/60/175110960.db2.gz CKLANGMEPUZGNY-MRLBHPIUSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811476 175110962 /nfs/dbraw/zinc/11/09/62/175110962.db2.gz CKLANGMEPUZGNY-MRLBHPIUSA-N 2 2 254.418 2.262 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818908 175113672 /nfs/dbraw/zinc/11/36/72/175113672.db2.gz NLDXYYXTQNAOCL-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818908 175113673 /nfs/dbraw/zinc/11/36/73/175113673.db2.gz NLDXYYXTQNAOCL-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[C@H]1C[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892790 175118574 /nfs/dbraw/zinc/11/85/74/175118574.db2.gz AZPCZFNNLSNXAA-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[N@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892790 175118575 /nfs/dbraw/zinc/11/85/75/175118575.db2.gz AZPCZFNNLSNXAA-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1COCC[N@@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898901 175121324 /nfs/dbraw/zinc/12/13/24/175121324.db2.gz VWLIQBKGJQQYDH-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1COCC[N@H+]1[C@@H]1CCCCCC[C@@H]1[NH2+]C ZINC000043898901 175121325 /nfs/dbraw/zinc/12/13/25/175121325.db2.gz VWLIQBKGJQQYDH-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071115 175301095 /nfs/dbraw/zinc/30/10/95/175301095.db2.gz OXLJKONMPXBAKG-HUUCEWRRSA-N 2 2 254.418 2.395 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071115 175301097 /nfs/dbraw/zinc/30/10/97/175301097.db2.gz OXLJKONMPXBAKG-HUUCEWRRSA-N 2 2 254.418 2.395 10 0 CEAELP [NH3+]CC1(C(=O)NCCCCn2cc[nH+]c2)CCCCCC1 ZINC000045107995 175308670 /nfs/dbraw/zinc/30/86/70/175308670.db2.gz HWXGNVCZEQEESO-UHFFFAOYSA-N 2 2 292.427 2.079 10 0 CEAELP Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000045135168 175312365 /nfs/dbraw/zinc/31/23/65/175312365.db2.gz JRPDUNFVFWXBPA-HNNXBMFYSA-N 2 2 289.423 2.253 10 0 CEAELP Cc1ccc(NC(=O)C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000045135168 175312367 /nfs/dbraw/zinc/31/23/67/175312367.db2.gz JRPDUNFVFWXBPA-HNNXBMFYSA-N 2 2 289.423 2.253 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374803 175365810 /nfs/dbraw/zinc/36/58/10/175365810.db2.gz WHJMGZMLOUEQJX-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP COC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378284 175367409 /nfs/dbraw/zinc/36/74/09/175367409.db2.gz PQMCIWNSADVVKD-MRXNPFEDSA-N 2 2 282.428 2.326 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378011 175367438 /nfs/dbraw/zinc/36/74/38/175367438.db2.gz QEIHCTPZWSASLC-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378011 175367439 /nfs/dbraw/zinc/36/74/39/175367439.db2.gz QEIHCTPZWSASLC-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP CCC[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045382243 175370787 /nfs/dbraw/zinc/37/07/87/175370787.db2.gz USFQCVPOEBBIGB-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045382243 175370788 /nfs/dbraw/zinc/37/07/88/175370788.db2.gz USFQCVPOEBBIGB-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@H+](C)C1CC1)[NH2+]C1CC1 ZINC000045383253 175371527 /nfs/dbraw/zinc/37/15/27/175371527.db2.gz SUOLTYZREIAOFP-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[N@@H+](C)C1CC1)[NH2+]C1CC1 ZINC000045383253 175371529 /nfs/dbraw/zinc/37/15/29/175371529.db2.gz SUOLTYZREIAOFP-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392205 175375973 /nfs/dbraw/zinc/37/59/73/175375973.db2.gz IXDWYZBKHCQALR-BBRMVZONSA-N 2 2 284.444 2.427 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+](C)[C@@H](C)C(C)C)[NH2+]C1CC1 ZINC000045392205 175375974 /nfs/dbraw/zinc/37/59/74/175375974.db2.gz IXDWYZBKHCQALR-BBRMVZONSA-N 2 2 284.444 2.427 10 0 CEAELP COc1ccc(Cl)cc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946346 175387775 /nfs/dbraw/zinc/38/77/75/175387775.db2.gz RFUVRWNMVIDIQR-UHFFFAOYSA-N 2 2 265.744 2.404 10 0 CEAELP COc1ccc(Cl)cc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946346 175387777 /nfs/dbraw/zinc/38/77/77/175387777.db2.gz RFUVRWNMVIDIQR-UHFFFAOYSA-N 2 2 265.744 2.404 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188924 176063418 /nfs/dbraw/zinc/06/34/18/176063418.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188924 176063419 /nfs/dbraw/zinc/06/34/19/176063419.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188924 176063421 /nfs/dbraw/zinc/06/34/21/176063421.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 3 2 291.439 2.098 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188924 176063422 /nfs/dbraw/zinc/06/34/22/176063422.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 3 2 291.439 2.098 10 0 CEAELP Cc1oc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071447 /nfs/dbraw/zinc/07/14/47/176071447.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071448 /nfs/dbraw/zinc/07/14/48/176071448.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071450 /nfs/dbraw/zinc/07/14/50/176071450.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071452 /nfs/dbraw/zinc/07/14/52/176071452.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268928 176102614 /nfs/dbraw/zinc/10/26/14/176102614.db2.gz QPFYONOXVLEXJW-JTQLQIEISA-N 2 2 258.300 2.252 10 0 CEAELP CC[C@]1(C)CN(CCn2cc[nH+]c2C)[C@H](C(C)C)C[NH2+]1 ZINC000071356972 176136960 /nfs/dbraw/zinc/13/69/60/176136960.db2.gz LCBAUKKCDFOJSX-JKSUJKDBSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@]1(C)CN(CCn2cc[nH+]c2C)[C@@](C)(C2CC2)C[NH2+]1 ZINC000071358093 176137345 /nfs/dbraw/zinc/13/73/45/176137345.db2.gz YWRONTJWPLVIKD-DLBZAZTESA-N 2 2 290.455 2.434 10 0 CEAELP CCOc1ccc(Cn2cc(CC[NH3+])[nH+]c2C)cc1 ZINC000071585422 176210930 /nfs/dbraw/zinc/21/09/30/176210930.db2.gz RXEAUESLCGUVGD-UHFFFAOYSA-N 2 2 259.353 2.140 10 0 CEAELP COc1cc([C@H](C[NH3+])[N@H+](C)C(C)C)c(OC)cc1C ZINC000076375193 177010721 /nfs/dbraw/zinc/01/07/21/177010721.db2.gz GPIZKHKKSJZHRV-ZDUSSCGKSA-N 2 2 266.385 2.352 10 0 CEAELP COc1cc([C@H](C[NH3+])[N@@H+](C)C(C)C)c(OC)cc1C ZINC000076375193 177010722 /nfs/dbraw/zinc/01/07/22/177010722.db2.gz GPIZKHKKSJZHRV-ZDUSSCGKSA-N 2 2 266.385 2.352 10 0 CEAELP CCN(C[C@H](C[NH3+])[NH+]1CCCCC1)c1ccccc1 ZINC000076673477 177055343 /nfs/dbraw/zinc/05/53/43/177055343.db2.gz AMHIRVUQSCQKNB-INIZCTEOSA-N 2 2 261.413 2.326 10 0 CEAELP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557726 276375488 /nfs/dbraw/zinc/37/54/88/276375488.db2.gz GLUQMIXDUBGVTB-CQSZACIVSA-N 2 2 278.396 2.277 10 0 CEAELP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000044557726 276375489 /nfs/dbraw/zinc/37/54/89/276375489.db2.gz GLUQMIXDUBGVTB-CQSZACIVSA-N 2 2 278.396 2.277 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000183399489 289201864 /nfs/dbraw/zinc/20/18/64/289201864.db2.gz OXLIBHRDODURBO-MRXNPFEDSA-N 2 2 276.424 2.227 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000183399489 289201867 /nfs/dbraw/zinc/20/18/67/289201867.db2.gz OXLIBHRDODURBO-MRXNPFEDSA-N 2 2 276.424 2.227 10 0 CEAELP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000262115731 297022100 /nfs/dbraw/zinc/02/21/00/297022100.db2.gz WWJSKFTULUIOIW-PVAVHDDUSA-N 2 2 274.408 2.448 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)CO1 ZINC000262115731 297022102 /nfs/dbraw/zinc/02/21/02/297022102.db2.gz WWJSKFTULUIOIW-PVAVHDDUSA-N 2 2 274.408 2.448 10 0 CEAELP [NH3+]CC[NH+]1CCC([C@H]2c3ccc(Cl)cc3NC2=O)CC1 ZINC000262900226 295233312 /nfs/dbraw/zinc/23/33/12/295233312.db2.gz DNMDXVXCSPQYPF-AWEZNQCLSA-N 2 2 293.798 2.046 10 0 CEAELP CCCC1CC[NH+]([C@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000050892925 519903082 /nfs/dbraw/zinc/90/30/82/519903082.db2.gz GLYNIGYNFLMTLH-DOMZBBRYSA-N 2 2 264.417 2.321 10 0 CEAELP CC[NH2+][C@@](C)(C[C@H](C)n1c[nH+]c(C)c1C)C(=O)OCC ZINC000068650095 520147410 /nfs/dbraw/zinc/14/74/10/520147410.db2.gz YKNUJNVYJGNZCF-NHYWBVRUSA-N 2 2 281.400 2.382 10 0 CEAELP CC(C)([NH3+])c1noc(C[NH+]2CCC3(CCCC3)CC2)n1 ZINC000062954131 519302324 /nfs/dbraw/zinc/30/23/24/519302324.db2.gz WJCDAEDZPPYBJN-UHFFFAOYSA-N 2 2 278.400 2.420 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000068629004 519713577 /nfs/dbraw/zinc/71/35/77/519713577.db2.gz OMCCDBCMZBNSKU-WMLDXEAASA-N 2 2 297.487 2.375 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540406 519744375 /nfs/dbraw/zinc/74/43/75/519744375.db2.gz BADZVVNDEGTVOV-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540406 519744377 /nfs/dbraw/zinc/74/43/77/519744377.db2.gz BADZVVNDEGTVOV-KKUMJFAQSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1[nH+]ccn1C ZINC000054602461 519907878 /nfs/dbraw/zinc/90/78/78/519907878.db2.gz NEJLHDIYKZIZOO-MQVJKMGUSA-N 3 2 290.455 2.348 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1[nH+]ccn1C ZINC000054602461 519907881 /nfs/dbraw/zinc/90/78/81/519907881.db2.gz NEJLHDIYKZIZOO-MQVJKMGUSA-N 3 2 290.455 2.348 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCc3sccc3C2)on1 ZINC000052416527 519991029 /nfs/dbraw/zinc/99/10/29/519991029.db2.gz NFJJJFUWKGDFOU-UHFFFAOYSA-N 2 2 277.393 2.404 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCc3sccc3C2)on1 ZINC000052416527 519991031 /nfs/dbraw/zinc/99/10/31/519991031.db2.gz NFJJJFUWKGDFOU-UHFFFAOYSA-N 2 2 277.393 2.404 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540194 519995838 /nfs/dbraw/zinc/99/58/38/519995838.db2.gz QVLLNUQAAXVEMB-LSDHHAIUSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)o1 ZINC000052540194 519995830 /nfs/dbraw/zinc/99/58/30/519995830.db2.gz QVLLNUQAAXVEMB-LSDHHAIUSA-N 2 2 264.369 2.142 10 0 CEAELP CCCNc1cc(C(C)C)[nH+]c(N2CC[NH+](C)CC2)n1 ZINC000050852002 520134142 /nfs/dbraw/zinc/13/41/42/520134142.db2.gz GRKZOFPQUPJJBR-UHFFFAOYSA-N 2 2 277.416 2.174 10 0 CEAELP CCC[C@H]1CN(CCCn2cc[nH+]c2)[C@H](C2CC2)C[NH2+]1 ZINC000068700984 521220817 /nfs/dbraw/zinc/22/08/17/521220817.db2.gz GNEJADMXFLWTPC-HOTGVXAUSA-N 2 2 276.428 2.126 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052484115 521657177 /nfs/dbraw/zinc/65/71/77/521657177.db2.gz SMHURLUOTODCGQ-INIZCTEOSA-N 2 2 262.397 2.448 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@@H+]1CCOCCOC ZINC000068704528 521690452 /nfs/dbraw/zinc/69/04/52/521690452.db2.gz XQXHEUFKLGVWPQ-HNNXBMFYSA-N 2 2 286.460 2.138 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@H+]1CCOCCOC ZINC000068704528 521690454 /nfs/dbraw/zinc/69/04/54/521690454.db2.gz XQXHEUFKLGVWPQ-HNNXBMFYSA-N 2 2 286.460 2.138 10 0 CEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502788 523231402 /nfs/dbraw/zinc/23/14/02/523231402.db2.gz GDGWRCSWCRSYLK-HNNXBMFYSA-N 2 2 273.380 2.203 10 0 CEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502788 523231407 /nfs/dbraw/zinc/23/14/07/523231407.db2.gz GDGWRCSWCRSYLK-HNNXBMFYSA-N 2 2 273.380 2.203 10 0 CEAELP C[N@H+](Cc1ccsc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590037 523488703 /nfs/dbraw/zinc/48/87/03/523488703.db2.gz KGEXGRGVPXJNJJ-LBPRGKRZSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@@H+](Cc1ccsc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590037 523488708 /nfs/dbraw/zinc/48/87/08/523488708.db2.gz KGEXGRGVPXJNJJ-LBPRGKRZSA-N 2 2 256.440 2.404 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000052570469 524496343 /nfs/dbraw/zinc/49/63/43/524496343.db2.gz PRUQSIOQFIHRLQ-LBPRGKRZSA-N 2 2 252.406 2.019 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000052570469 524496348 /nfs/dbraw/zinc/49/63/48/524496348.db2.gz PRUQSIOQFIHRLQ-LBPRGKRZSA-N 2 2 252.406 2.019 10 0 CEAELP C[C@H]1C[NH+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@H](C)O1 ZINC000052180771 524584989 /nfs/dbraw/zinc/58/49/89/524584989.db2.gz TVEGOGYPSOIJKC-GJZGRUSLSA-N 2 2 298.471 2.281 10 0 CEAELP C[C@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068699501 524639634 /nfs/dbraw/zinc/63/96/34/524639634.db2.gz GPRLIBKTMJKWQR-SUMWQHHRSA-N 2 2 284.407 2.297 10 0 CEAELP C[C@H]1COCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475988 524720666 /nfs/dbraw/zinc/72/06/66/524720666.db2.gz KCACZDWFYURFSH-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1COCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475988 524720675 /nfs/dbraw/zinc/72/06/75/524720675.db2.gz KCACZDWFYURFSH-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc2cccnc21 ZINC000062802839 524836009 /nfs/dbraw/zinc/83/60/09/524836009.db2.gz VAVVKRKLBLAUGP-LBPRGKRZSA-N 2 2 266.348 2.369 10 0 CEAELP Cc1ccc(N(CCC[NH3+])c2cc[nH+]c(N(C)C)n2)cc1 ZINC000068689990 524898923 /nfs/dbraw/zinc/89/89/23/524898923.db2.gz KWHWJRBNHNQDQV-UHFFFAOYSA-N 2 2 285.395 2.338 10 0 CEAELP Cc1[nH]c(CNCCC[N@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000054797956 526887644 /nfs/dbraw/zinc/88/76/44/526887644.db2.gz LKHUJAWQKAFKFY-GFCCVEGCSA-N 2 2 250.390 2.072 10 0 CEAELP Cc1[nH]c(CNCCC[N@@H+]2CCCC[C@H]2C)c[nH+]1 ZINC000054797956 526887650 /nfs/dbraw/zinc/88/76/50/526887650.db2.gz LKHUJAWQKAFKFY-GFCCVEGCSA-N 2 2 250.390 2.072 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1cccnc1C[NH3+] ZINC000061656995 527170917 /nfs/dbraw/zinc/17/09/17/527170917.db2.gz NEESRSFUCNOUEA-UHFFFAOYSA-N 2 2 252.321 2.247 10 0 CEAELP [NH3+]CCc1[nH+]ccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000052304339 527198561 /nfs/dbraw/zinc/19/85/61/527198561.db2.gz UNIVIRYZOPNSKQ-UHFFFAOYSA-N 2 2 290.676 2.441 10 0 CEAELP [NH3+]Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)o1 ZINC000052374708 527253721 /nfs/dbraw/zinc/25/37/21/527253721.db2.gz GXQMARVEAVFAGW-UHFFFAOYSA-N 2 2 289.354 2.200 10 0 CEAELP [NH3+]Cc1coc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484223 527264483 /nfs/dbraw/zinc/26/44/83/527264483.db2.gz RSYWINFNFWMVJN-UHFFFAOYSA-N 3 2 277.412 2.189 10 0 CEAELP Cc1nccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)n1 ZINC000054790645 527339347 /nfs/dbraw/zinc/33/93/47/527339347.db2.gz BGSAUHOZWJVFQS-CQSZACIVSA-N 2 2 273.384 2.186 10 0 CEAELP [NH3+][C@H]1CCCCC[C@H]1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061947734 527395217 /nfs/dbraw/zinc/39/52/17/527395217.db2.gz NVAUFRXSRFEYKO-STQMWFEESA-N 2 2 293.377 2.074 10 0 CEAELP CCN(CC)c1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000400332064 528312777 /nfs/dbraw/zinc/31/27/77/528312777.db2.gz FCNBOKSSNCDYFJ-STQMWFEESA-N 2 2 262.401 2.338 10 0 CEAELP CC[C@@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@H]1[NH3+] ZINC000251734182 574508365 /nfs/dbraw/zinc/50/83/65/574508365.db2.gz KOBKYMUYRJIAAM-VXGBXAGGSA-N 2 2 258.369 2.137 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272422 567924966 /nfs/dbraw/zinc/92/49/66/567924966.db2.gz QAVQCCDLVNFZQS-JQWIXIFHSA-N 2 2 296.440 2.051 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272422 567924967 /nfs/dbraw/zinc/92/49/67/567924967.db2.gz QAVQCCDLVNFZQS-JQWIXIFHSA-N 2 2 296.440 2.051 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000176077378 624096427 /nfs/dbraw/zinc/09/64/27/624096427.db2.gz MENVJNQVPDFDRI-CYBMUJFWSA-N 2 2 279.775 2.164 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cc(Cl)cn1 ZINC000176077378 624096433 /nfs/dbraw/zinc/09/64/33/624096433.db2.gz MENVJNQVPDFDRI-CYBMUJFWSA-N 2 2 279.775 2.164 10 0 CEAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000236912931 629124299 /nfs/dbraw/zinc/12/42/99/629124299.db2.gz UKGIYRFOBCCUGM-IINYFYTJSA-N 2 2 290.342 2.323 10 0 CEAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000032497123 361738501 /nfs/dbraw/zinc/73/85/01/361738501.db2.gz IUTSDFNVBHYSTK-LBPRGKRZSA-N 2 2 252.358 2.045 10 0 CEAELP c1ccc(C[N@@H+]2CCSC[C@@]23CCC[NH2+]C3)cc1 ZINC000096949203 185137770 /nfs/dbraw/zinc/13/77/70/185137770.db2.gz GQTZPESQBBTHTF-HNNXBMFYSA-N 2 2 262.422 2.358 10 0 CEAELP c1ccc(C[N@H+]2CCSC[C@@]23CCC[NH2+]C3)cc1 ZINC000096949203 185137771 /nfs/dbraw/zinc/13/77/71/185137771.db2.gz GQTZPESQBBTHTF-HNNXBMFYSA-N 2 2 262.422 2.358 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889064 344718278 /nfs/dbraw/zinc/71/82/78/344718278.db2.gz WXBWTYZZQOVURU-JSGCOSHPSA-N 2 2 275.421 2.199 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889064 344718280 /nfs/dbraw/zinc/71/82/80/344718280.db2.gz WXBWTYZZQOVURU-JSGCOSHPSA-N 2 2 275.421 2.199 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)c(F)c1 ZINC000399228117 344858132 /nfs/dbraw/zinc/85/81/32/344858132.db2.gz FRCANAQYGINZSI-LLVKDONJSA-N 2 2 284.350 2.072 10 0 CEAELP CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCCn1cc[nH+]c1 ZINC000085494459 179081994 /nfs/dbraw/zinc/08/19/94/179081994.db2.gz TVZQJTGKADJFBP-GJZGRUSLSA-N 2 2 264.417 2.126 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085515885 179087432 /nfs/dbraw/zinc/08/74/32/179087432.db2.gz CPLCZXLMCHTDMQ-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085515885 179087435 /nfs/dbraw/zinc/08/74/35/179087435.db2.gz CPLCZXLMCHTDMQ-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP CC[C@@]1(C)CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000085496324 179083380 /nfs/dbraw/zinc/08/33/80/179083380.db2.gz JLAYDJMFGTWKJO-HNNXBMFYSA-N 2 2 264.417 2.126 10 0 CEAELP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1F ZINC000085622373 179105920 /nfs/dbraw/zinc/10/59/20/179105920.db2.gz PJTOEKKZXFJUAP-LLVKDONJSA-N 2 2 252.333 2.018 10 0 CEAELP COc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1F ZINC000085622373 179105923 /nfs/dbraw/zinc/10/59/23/179105923.db2.gz PJTOEKKZXFJUAP-LLVKDONJSA-N 2 2 252.333 2.018 10 0 CEAELP C[C@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618976 179106130 /nfs/dbraw/zinc/10/61/30/179106130.db2.gz UGWAJZPRCVCTIA-RYQLBKOJSA-N 2 2 288.435 2.318 10 0 CEAELP C[C@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085618976 179106133 /nfs/dbraw/zinc/10/61/33/179106133.db2.gz UGWAJZPRCVCTIA-RYQLBKOJSA-N 2 2 288.435 2.318 10 0 CEAELP CCC[NH2+][C@@H](CCO)Cn1c(C)[nH+]c2ccccc21 ZINC000085923279 179201233 /nfs/dbraw/zinc/20/12/33/179201233.db2.gz WHQOEHVHRUZLTL-ZDUSSCGKSA-N 2 2 261.369 2.095 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151861 179240871 /nfs/dbraw/zinc/24/08/71/179240871.db2.gz OOEQSOLEPZJZOA-BARDWOONSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+]([C@@H](C)COC)[C@H](C(C)C)C[NH2+]1 ZINC000086151861 179240874 /nfs/dbraw/zinc/24/08/74/179240874.db2.gz OOEQSOLEPZJZOA-BARDWOONSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264808 179261006 /nfs/dbraw/zinc/26/10/06/179261006.db2.gz FCGGCWFHDATGLK-STQMWFEESA-N 2 2 264.417 2.019 10 0 CEAELP CCC[C@H](COC)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086267578 179261686 /nfs/dbraw/zinc/26/16/86/179261686.db2.gz QOJZNTIOEKRROK-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@H](COC)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086267578 179261687 /nfs/dbraw/zinc/26/16/87/179261687.db2.gz QOJZNTIOEKRROK-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H](COC)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1CC ZINC000086267492 179261877 /nfs/dbraw/zinc/26/18/77/179261877.db2.gz CEGGLSGYXKDSIQ-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H](COC)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1CC ZINC000086267492 179261878 /nfs/dbraw/zinc/26/18/78/179261878.db2.gz CEGGLSGYXKDSIQ-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292446 179266210 /nfs/dbraw/zinc/26/62/10/179266210.db2.gz VDNJSNHYBWMUKA-QLFBSQMISA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292446 179266213 /nfs/dbraw/zinc/26/62/13/179266213.db2.gz VDNJSNHYBWMUKA-QLFBSQMISA-N 2 2 254.418 2.123 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)ccn1 ZINC000086296357 179268376 /nfs/dbraw/zinc/26/83/76/179268376.db2.gz BIANMSPNAJYKKV-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)ccn1 ZINC000086296357 179268378 /nfs/dbraw/zinc/26/83/78/179268378.db2.gz BIANMSPNAJYKKV-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP CSCC[C@@H](C[NH3+])[N@H+](C)CCc1cccs1 ZINC000086440827 179292976 /nfs/dbraw/zinc/29/29/76/179292976.db2.gz MPUGHQIOWFLYJJ-NSHDSACASA-N 2 2 258.456 2.303 10 0 CEAELP CSCC[C@@H](C[NH3+])[N@@H+](C)CCc1cccs1 ZINC000086440827 179292978 /nfs/dbraw/zinc/29/29/78/179292978.db2.gz MPUGHQIOWFLYJJ-NSHDSACASA-N 2 2 258.456 2.303 10 0 CEAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000086486108 179301784 /nfs/dbraw/zinc/30/17/84/179301784.db2.gz WLTBQUNZMMAJSF-NSHDSACASA-N 2 2 280.169 2.425 10 0 CEAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC000086817204 179344382 /nfs/dbraw/zinc/34/43/82/179344382.db2.gz QKXMHQGMQZYDCW-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP C[NH+](C)C1(C[NH2+][C@@H]2CCC[N@@H+](C)CC2)CCCCC1 ZINC000086817204 179344384 /nfs/dbraw/zinc/34/43/84/179344384.db2.gz QKXMHQGMQZYDCW-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818508 179346544 /nfs/dbraw/zinc/34/65/44/179346544.db2.gz YWHKQSWXEAEHRO-KGLIPLIRSA-N 2 2 291.443 2.139 10 0 CEAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818508 179346546 /nfs/dbraw/zinc/34/65/46/179346546.db2.gz YWHKQSWXEAEHRO-KGLIPLIRSA-N 2 2 291.443 2.139 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837162 179350858 /nfs/dbraw/zinc/35/08/58/179350858.db2.gz FLPYXEYNSUUKGW-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837162 179350860 /nfs/dbraw/zinc/35/08/60/179350860.db2.gz FLPYXEYNSUUKGW-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP CC[N@H+]([C@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983506 179373622 /nfs/dbraw/zinc/37/36/22/179373622.db2.gz XFVUCYPJRPJRGJ-CYBMUJFWSA-N 2 2 252.333 2.318 10 0 CEAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(OC)c(F)c1)C1CC1 ZINC000086983506 179373623 /nfs/dbraw/zinc/37/36/23/179373623.db2.gz XFVUCYPJRPJRGJ-CYBMUJFWSA-N 2 2 252.333 2.318 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOCC2(C)C)CC1 ZINC000086890939 179366452 /nfs/dbraw/zinc/36/64/52/179366452.db2.gz ULCVQTRGYLPKQK-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOCC2(C)C)CC1 ZINC000086890939 179366453 /nfs/dbraw/zinc/36/64/53/179366453.db2.gz ULCVQTRGYLPKQK-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2C[C@@H]2C)cc1F ZINC000086992338 179375213 /nfs/dbraw/zinc/37/52/13/179375213.db2.gz WETKOGBGMUNNEP-JKOKRWQUSA-N 2 2 266.360 2.422 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2C[C@@H]2C)cc1F ZINC000086992338 179375214 /nfs/dbraw/zinc/37/52/14/179375214.db2.gz WETKOGBGMUNNEP-JKOKRWQUSA-N 2 2 266.360 2.422 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000086992315 179375286 /nfs/dbraw/zinc/37/52/86/179375286.db2.gz DNWJCAIRELPVKU-WFASDCNBSA-N 2 2 296.386 2.193 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000086992315 179375287 /nfs/dbraw/zinc/37/52/87/179375287.db2.gz DNWJCAIRELPVKU-WFASDCNBSA-N 2 2 296.386 2.193 10 0 CEAELP Nc1cc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616663405 348553870 /nfs/dbraw/zinc/55/38/70/348553870.db2.gz HEXSCIWPZLJCKC-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1cc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000616663405 348553873 /nfs/dbraw/zinc/55/38/73/348553873.db2.gz HEXSCIWPZLJCKC-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP [NH3+]CCN1CC[C@@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616675783 348557209 /nfs/dbraw/zinc/55/72/09/348557209.db2.gz RFCSYRKMCPOCDH-CQSZACIVSA-N 2 2 268.364 2.404 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2ccccc2O1 ZINC000090877417 180052402 /nfs/dbraw/zinc/05/24/02/180052402.db2.gz FBTXXMDIJXLBKC-ZIAGYGMSSA-N 2 2 271.364 2.167 10 0 CEAELP C[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)[C@@H]1C[NH3+] ZINC000090893471 180055496 /nfs/dbraw/zinc/05/54/96/180055496.db2.gz HNLHXDFPOTUYFV-BYCMXARLSA-N 2 2 278.371 2.188 10 0 CEAELP C[C@@H]1CCC[N@@H+](C[C@@H]2Cc3cc(F)ccc3O2)[C@@H]1C[NH3+] ZINC000090893471 180055498 /nfs/dbraw/zinc/05/54/98/180055498.db2.gz HNLHXDFPOTUYFV-BYCMXARLSA-N 2 2 278.371 2.188 10 0 CEAELP CC[N@H+](C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900134 180058950 /nfs/dbraw/zinc/05/89/50/180058950.db2.gz PDGGLXVJUPPYCL-ZIAGYGMSSA-N 2 2 280.799 2.327 10 0 CEAELP CC[N@@H+](C[C@H]1Cc2cc(Cl)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900134 180058953 /nfs/dbraw/zinc/05/89/53/180058953.db2.gz PDGGLXVJUPPYCL-ZIAGYGMSSA-N 2 2 280.799 2.327 10 0 CEAELP Clc1ccc2c(c1)C[C@H](C[NH2+]CC[NH+]1CCCC1)O2 ZINC000090904643 180060193 /nfs/dbraw/zinc/06/01/93/180060193.db2.gz CUYBTRUMBDUKRB-CQSZACIVSA-N 2 2 280.799 2.329 10 0 CEAELP CC[C@H]([NH3+])Cc1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091006173 180084729 /nfs/dbraw/zinc/08/47/29/180084729.db2.gz OCCSXCMONQYINY-AWEZNQCLSA-N 2 2 268.364 2.464 10 0 CEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000091321606 180134483 /nfs/dbraw/zinc/13/44/83/180134483.db2.gz UWQRDVMPKBLEMC-CQSZACIVSA-N 2 2 295.471 2.275 10 0 CEAELP CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276318 180119653 /nfs/dbraw/zinc/11/96/53/180119653.db2.gz CUKTUKDMABHJGH-OAHLLOKOSA-N 2 2 288.370 2.489 10 0 CEAELP C[NH2+][C@@H](C)c1ccc(F)cc1OCc1c[nH+]cn1C ZINC000091278450 180120839 /nfs/dbraw/zinc/12/08/39/180120839.db2.gz ABPUVOONXMGICN-JTQLQIEISA-N 2 2 263.316 2.419 10 0 CEAELP CC[NH2+][C@H]1COc2cc(OCc3c[nH+]cn3C)ccc21 ZINC000091278469 180120955 /nfs/dbraw/zinc/12/09/55/180120955.db2.gz RREHFORVZHMTJG-AWEZNQCLSA-N 2 2 273.336 2.042 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(C[NH3+])cc1C(F)(F)F ZINC000091278472 180121369 /nfs/dbraw/zinc/12/13/69/180121369.db2.gz QNVGVSCKXVRSBZ-UHFFFAOYSA-N 2 2 285.269 2.477 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@H]1C[NH2+]CCO1)n2C(C)C ZINC000091293202 180124160 /nfs/dbraw/zinc/12/41/60/180124160.db2.gz PLFHCWJNCRLGHV-ZDUSSCGKSA-N 2 2 273.380 2.457 10 0 CEAELP C[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)[NH+]1CCCCC1 ZINC000091565012 180193300 /nfs/dbraw/zinc/19/33/00/180193300.db2.gz KIIWVYVDCDQWBI-AWEZNQCLSA-N 2 2 293.459 2.254 10 0 CEAELP CC[C@@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609683 180205799 /nfs/dbraw/zinc/20/57/99/180205799.db2.gz XSKMDPSOOPTRCT-IRXDYDNUSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@](C)([C@H]([NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000091611850 180206638 /nfs/dbraw/zinc/20/66/38/180206638.db2.gz NJMUMDIROUTINL-HUUCEWRRSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])CCC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000091612124 180207478 /nfs/dbraw/zinc/20/74/78/180207478.db2.gz KTIQCSNIRRBWSN-OWCLPIDISA-N 2 2 284.444 2.164 10 0 CEAELP C[NH2+][C@@H](Cc1ccn(C2CCCC2)n1)C(C)(C)[NH+](C)C ZINC000091528616 180180449 /nfs/dbraw/zinc/18/04/49/180180449.db2.gz AOZDTWILOZBWQH-HNNXBMFYSA-N 2 2 278.444 2.469 10 0 CEAELP Cc1nn(C)c(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533701 180181526 /nfs/dbraw/zinc/18/15/26/180181526.db2.gz OICXFGFKSALRQK-GFCCVEGCSA-N 2 2 284.835 2.126 10 0 CEAELP CCC(CC)([C@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635077 180211404 /nfs/dbraw/zinc/21/14/04/180211404.db2.gz FBFIEMZLLWOIPS-HNNXBMFYSA-N 3 2 290.455 2.449 10 0 CEAELP CCC(CC)([C@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCC1 ZINC000091634586 180211503 /nfs/dbraw/zinc/21/15/03/180211503.db2.gz SVOJQIHVFQQATL-CQSZACIVSA-N 2 2 277.412 2.222 10 0 CEAELP CC[NH2+][C@H](c1ccccc1OC)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721585 180238654 /nfs/dbraw/zinc/23/86/54/180238654.db2.gz RBGIWZZOPKUQDI-XOKHGSTOSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccccc1OC)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721585 180238656 /nfs/dbraw/zinc/23/86/56/180238656.db2.gz RBGIWZZOPKUQDI-XOKHGSTOSA-N 2 2 290.407 2.209 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926156 180287220 /nfs/dbraw/zinc/28/72/20/180287220.db2.gz XKWZOHRIMCNPQC-IRXDYDNUSA-N 2 2 285.391 2.070 10 0 CEAELP CC(C)C[NH2+]Cc1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054518 180313757 /nfs/dbraw/zinc/31/37/57/180313757.db2.gz WIAXHGKTLHIAMK-MRXNPFEDSA-N 2 2 292.423 2.142 10 0 CEAELP CC(C)C[NH2+]Cc1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054518 180313758 /nfs/dbraw/zinc/31/37/58/180313758.db2.gz WIAXHGKTLHIAMK-MRXNPFEDSA-N 2 2 292.423 2.142 10 0 CEAELP C[N@H+](C[C@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267800 180355436 /nfs/dbraw/zinc/35/54/36/180355436.db2.gz OKJSXVYFANSQEP-ZIAGYGMSSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](C[C@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267800 180355437 /nfs/dbraw/zinc/35/54/37/180355437.db2.gz OKJSXVYFANSQEP-ZIAGYGMSSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@H]1COc2ccccc21 ZINC000092306745 180360635 /nfs/dbraw/zinc/36/06/35/180360635.db2.gz BDQGWVVBQNCDIB-LBPRGKRZSA-N 2 2 257.337 2.087 10 0 CEAELP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000105924495 186090469 /nfs/dbraw/zinc/09/04/69/186090469.db2.gz IXXLOUPXPPLRHR-HZPDHXFCSA-N 2 2 262.397 2.400 10 0 CEAELP CC[C@H](c1ccccc1)[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000105924495 186090472 /nfs/dbraw/zinc/09/04/72/186090472.db2.gz IXXLOUPXPPLRHR-HZPDHXFCSA-N 2 2 262.397 2.400 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[NH2+]Cc2ccccc2)cc1 ZINC000106024116 186098741 /nfs/dbraw/zinc/09/87/41/186098741.db2.gz AHNLTJWNOSZJQD-MRXNPFEDSA-N 2 2 256.349 2.485 10 0 CEAELP CCNc1cccc(CN2CC[NH+](C(C)(C)C)CC2)[nH+]1 ZINC000092369763 180370064 /nfs/dbraw/zinc/37/00/64/180370064.db2.gz ZINONFVMNQRRRV-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP [NH3+]C[C@@]1([NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000109431547 186252250 /nfs/dbraw/zinc/25/22/50/186252250.db2.gz FSFCFJVGRSOYAL-KRWDZBQOSA-N 2 2 274.408 2.059 10 0 CEAELP COc1cc([C@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926656 186333969 /nfs/dbraw/zinc/33/39/69/186333969.db2.gz KUVSTVWZNWYYKT-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110926656 186333971 /nfs/dbraw/zinc/33/39/71/186333971.db2.gz KUVSTVWZNWYYKT-WCQYABFASA-N 2 2 264.369 2.146 10 0 CEAELP CCC[N@H+](Cc1ccc(O)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110938085 186334109 /nfs/dbraw/zinc/33/41/09/186334109.db2.gz BQDYIDZGAQEPGA-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(O)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110938085 186334111 /nfs/dbraw/zinc/33/41/11/186334111.db2.gz BQDYIDZGAQEPGA-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754804 186322188 /nfs/dbraw/zinc/32/21/88/186322188.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 2 2 279.428 2.304 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110754804 186322190 /nfs/dbraw/zinc/32/21/90/186322190.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 2 2 279.428 2.304 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154055 186361066 /nfs/dbraw/zinc/36/10/66/186361066.db2.gz CWNSYMLHTVKMGI-MJBXVCDLSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@H]([N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154055 186361067 /nfs/dbraw/zinc/36/10/67/186361067.db2.gz CWNSYMLHTVKMGI-MJBXVCDLSA-N 2 2 256.434 2.497 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111156433 186361445 /nfs/dbraw/zinc/36/14/45/186361445.db2.gz PMUKFHRLHKZBNX-RISCZKNCSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111156433 186361447 /nfs/dbraw/zinc/36/14/47/186361447.db2.gz PMUKFHRLHKZBNX-RISCZKNCSA-N 2 2 252.358 2.026 10 0 CEAELP CCCNc1cc(C[N@H+](C)CCC[NH+](C)C)ccn1 ZINC000111146210 186358380 /nfs/dbraw/zinc/35/83/80/186358380.db2.gz MFRXWRLPKLOYQI-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP CCCNc1cc(C[N@@H+](C)CCC[NH+](C)C)ccn1 ZINC000111146210 186358382 /nfs/dbraw/zinc/35/83/82/186358382.db2.gz MFRXWRLPKLOYQI-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP CCOc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143892 186358820 /nfs/dbraw/zinc/35/88/20/186358820.db2.gz DSACTEUBAJXIDT-INIZCTEOSA-N 2 2 280.412 2.002 10 0 CEAELP CCOc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143892 186358821 /nfs/dbraw/zinc/35/88/21/186358821.db2.gz DSACTEUBAJXIDT-INIZCTEOSA-N 2 2 280.412 2.002 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155103 186360298 /nfs/dbraw/zinc/36/02/98/186360298.db2.gz UQXQKMODCOTKSE-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111155103 186360299 /nfs/dbraw/zinc/36/02/99/186360299.db2.gz UQXQKMODCOTKSE-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP C[NH+](C)C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000111317910 186395659 /nfs/dbraw/zinc/39/56/59/186395659.db2.gz BDGLWCMWTQOALV-HOCLYGCPSA-N 2 2 262.397 2.306 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)C[C@H](C)O1 ZINC000111323857 186396844 /nfs/dbraw/zinc/39/68/44/186396844.db2.gz OSVSAPYEUINKBF-HLLBOEOZSA-N 2 2 298.471 2.281 10 0 CEAELP C[C@@H]1C[N@H+](C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)C[C@H](C)O1 ZINC000111323857 186396846 /nfs/dbraw/zinc/39/68/46/186396846.db2.gz OSVSAPYEUINKBF-HLLBOEOZSA-N 2 2 298.471 2.281 10 0 CEAELP C[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321035 186397721 /nfs/dbraw/zinc/39/77/21/186397721.db2.gz JNEJQULJKRWVNP-SCRDCRAPSA-N 2 2 280.437 2.421 10 0 CEAELP C[C@H]1c2ccsc2CC[N@H+]1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321035 186397723 /nfs/dbraw/zinc/39/77/23/186397723.db2.gz JNEJQULJKRWVNP-SCRDCRAPSA-N 2 2 280.437 2.421 10 0 CEAELP COc1ccc[nH+]c1N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630094701 351616577 /nfs/dbraw/zinc/61/65/77/351616577.db2.gz WTESIOPYKUYKRU-UWVGGRQHSA-N 2 2 289.301 2.054 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000378895917 540112234 /nfs/dbraw/zinc/11/22/34/540112234.db2.gz CJZVOXFXAWPLFP-USXIJHARSA-N 2 2 276.424 2.400 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000378895917 540112237 /nfs/dbraw/zinc/11/22/37/540112237.db2.gz CJZVOXFXAWPLFP-USXIJHARSA-N 2 2 276.424 2.400 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000178306400 189105431 /nfs/dbraw/zinc/10/54/31/189105431.db2.gz WAXXUJDUIQRMSU-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000178306400 189105432 /nfs/dbraw/zinc/10/54/32/189105432.db2.gz WAXXUJDUIQRMSU-MRXNPFEDSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1cccnc1 ZINC000178751162 189143261 /nfs/dbraw/zinc/14/32/61/189143261.db2.gz HVWRLGQJBZYIII-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1cccnc1 ZINC000178751162 189143262 /nfs/dbraw/zinc/14/32/62/189143262.db2.gz HVWRLGQJBZYIII-INIZCTEOSA-N 2 2 270.380 2.294 10 0 CEAELP CCc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987166 542259497 /nfs/dbraw/zinc/25/94/97/542259497.db2.gz FAMCZSBUMCVQNB-CQSZACIVSA-N 2 2 299.422 2.312 10 0 CEAELP CCc1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000179987166 542259501 /nfs/dbraw/zinc/25/95/01/542259501.db2.gz FAMCZSBUMCVQNB-CQSZACIVSA-N 2 2 299.422 2.312 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[NH+]1CCC(C)CC1 ZINC000154145977 366759430 /nfs/dbraw/zinc/75/94/30/366759430.db2.gz XEOZZTMSSDNCCC-KRWDZBQOSA-N 2 2 290.455 2.388 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182827970 189336547 /nfs/dbraw/zinc/33/65/47/189336547.db2.gz DTCRGXMSRDCHPF-QGZVFWFLSA-N 2 2 285.391 2.348 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000182827970 189336548 /nfs/dbraw/zinc/33/65/48/189336548.db2.gz DTCRGXMSRDCHPF-QGZVFWFLSA-N 2 2 285.391 2.348 10 0 CEAELP c1cn(CC[NH2+]Cc2ccnc3ccccc23)c[nH+]1 ZINC000111728528 364755144 /nfs/dbraw/zinc/75/51/44/364755144.db2.gz CFQFWNQPKQFOEV-UHFFFAOYSA-N 2 2 252.321 2.221 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000120181669 365385913 /nfs/dbraw/zinc/38/59/13/365385913.db2.gz HALWSPCHPQLCIF-CQSZACIVSA-N 2 2 276.384 2.338 10 0 CEAELP Cc1cc(C[NH2+][C@@H](C)C[NH3+])sc1Br ZINC000162067889 367134332 /nfs/dbraw/zinc/13/43/32/367134332.db2.gz NAFQUANENQJHRS-ZETCQYMHSA-N 2 2 263.204 2.256 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000163660804 541636040 /nfs/dbraw/zinc/63/60/40/541636040.db2.gz MPSFBEHTTJRLTJ-OAHLLOKOSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000163660804 541636041 /nfs/dbraw/zinc/63/60/41/541636041.db2.gz MPSFBEHTTJRLTJ-OAHLLOKOSA-N 2 2 262.397 2.114 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388740 368449995 /nfs/dbraw/zinc/44/99/95/368449995.db2.gz BSHJGCCUDDTGDN-JSGCOSHPSA-N 2 2 297.830 2.232 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183230709 368618535 /nfs/dbraw/zinc/61/85/35/368618535.db2.gz KUBPGLBBYPXAQH-BBRMVZONSA-N 2 2 262.397 2.314 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183230709 368618538 /nfs/dbraw/zinc/61/85/38/368618538.db2.gz KUBPGLBBYPXAQH-BBRMVZONSA-N 2 2 262.397 2.314 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183712680 368643941 /nfs/dbraw/zinc/64/39/41/368643941.db2.gz XHZQUAAHOBDPTF-QWHCGFSZSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183712680 368643950 /nfs/dbraw/zinc/64/39/50/368643950.db2.gz XHZQUAAHOBDPTF-QWHCGFSZSA-N 2 2 270.417 2.181 10 0 CEAELP Cc1n[nH]cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190472347 369628387 /nfs/dbraw/zinc/62/83/87/369628387.db2.gz OTSFDYDWBBPGFH-INIZCTEOSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190472347 369628393 /nfs/dbraw/zinc/62/83/93/369628393.db2.gz OTSFDYDWBBPGFH-INIZCTEOSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190472347 369628403 /nfs/dbraw/zinc/62/84/03/369628403.db2.gz OTSFDYDWBBPGFH-INIZCTEOSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190472347 369628407 /nfs/dbraw/zinc/62/84/07/369628407.db2.gz OTSFDYDWBBPGFH-INIZCTEOSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1cc[nH+]c(NCC[C@H](C)[NH3+])c1Br ZINC000235490058 370567251 /nfs/dbraw/zinc/56/72/51/370567251.db2.gz KLRUUBOPNJQAHS-QMMMGPOBSA-N 2 2 258.163 2.302 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000249022876 371283855 /nfs/dbraw/zinc/28/38/55/371283855.db2.gz QZXJZCGLVOPUDN-IRXDYDNUSA-N 2 2 294.414 2.366 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000249022876 371283858 /nfs/dbraw/zinc/28/38/58/371283858.db2.gz QZXJZCGLVOPUDN-IRXDYDNUSA-N 2 2 294.414 2.366 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1[NH3+] ZINC000261569886 371653963 /nfs/dbraw/zinc/65/39/63/371653963.db2.gz NTOZCVCVWGLFSD-IINYFYTJSA-N 2 2 259.328 2.153 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(F)cc3cccnc32)C[C@H]1[NH3+] ZINC000261569886 371653971 /nfs/dbraw/zinc/65/39/71/371653971.db2.gz NTOZCVCVWGLFSD-IINYFYTJSA-N 2 2 259.328 2.153 10 0 CEAELP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261632424 371686513 /nfs/dbraw/zinc/68/65/13/371686513.db2.gz DGXWAWFNRRUCSH-SUMWQHHRSA-N 2 2 270.376 2.498 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261632424 371686515 /nfs/dbraw/zinc/68/65/15/371686515.db2.gz DGXWAWFNRRUCSH-SUMWQHHRSA-N 2 2 270.376 2.498 10 0 CEAELP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261998005 371795190 /nfs/dbraw/zinc/79/51/90/371795190.db2.gz TTYIPUUNDVBZMK-VIFPVBQESA-N 2 2 290.333 2.345 10 0 CEAELP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261998005 371795193 /nfs/dbraw/zinc/79/51/93/371795193.db2.gz TTYIPUUNDVBZMK-VIFPVBQESA-N 2 2 290.333 2.345 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262082683 371819816 /nfs/dbraw/zinc/81/98/16/371819816.db2.gz FJGUDYFBQOKVIL-RDJZCZTQSA-N 2 2 290.407 2.168 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262082683 371819823 /nfs/dbraw/zinc/81/98/23/371819823.db2.gz FJGUDYFBQOKVIL-RDJZCZTQSA-N 2 2 290.407 2.168 10 0 CEAELP C[C@@H]1C[N@H+](Cc2noc(C[NH3+])n2)CC[C@H]1c1ccccc1 ZINC000262185037 371835826 /nfs/dbraw/zinc/83/58/26/371835826.db2.gz JDKAMJSCWWYDGQ-TZMCWYRMSA-N 2 2 286.379 2.154 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2noc(C[NH3+])n2)CC[C@H]1c1ccccc1 ZINC000262185037 371835830 /nfs/dbraw/zinc/83/58/30/371835830.db2.gz JDKAMJSCWWYDGQ-TZMCWYRMSA-N 2 2 286.379 2.154 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509330 376852364 /nfs/dbraw/zinc/85/23/64/376852364.db2.gz MVOJFXNSBPIGOP-WBMJQRKESA-N 2 2 275.396 2.390 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509330 376852367 /nfs/dbraw/zinc/85/23/67/376852367.db2.gz MVOJFXNSBPIGOP-WBMJQRKESA-N 2 2 275.396 2.390 10 0 CEAELP C[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1[NH3+] ZINC000300164632 379154109 /nfs/dbraw/zinc/15/41/09/379154109.db2.gz FGIHRMWFAPICQB-WDEREUQCSA-N 2 2 292.408 2.010 10 0 CEAELP C[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1[NH3+] ZINC000300164632 379154117 /nfs/dbraw/zinc/15/41/17/379154117.db2.gz FGIHRMWFAPICQB-WDEREUQCSA-N 2 2 292.408 2.010 10 0 CEAELP CCOC(=O)[C@@]1([NH2+]C2CC2)CCC[C@@H]1CC[NH+]1CCCC1 ZINC000093583083 184692325 /nfs/dbraw/zinc/69/23/25/184692325.db2.gz QCWLGIGHEQSWOK-RHSMWYFYSA-N 2 2 294.439 2.326 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000400359871 533554203 /nfs/dbraw/zinc/55/42/03/533554203.db2.gz CRHPZHKVFDCHFK-ZIAGYGMSSA-N 2 2 274.412 2.482 10 0 CEAELP C[C@@H]([NH2+]CCC1OCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189886981 130035823 /nfs/dbraw/zinc/03/58/23/130035823.db2.gz FYZMAOAOZYPPIN-CYBMUJFWSA-N 2 2 287.363 2.286 10 0 CEAELP C[C@H]1[NH2+]CC[C@@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000092957712 135077407 /nfs/dbraw/zinc/07/74/07/135077407.db2.gz MENMDHMLGPQRLA-ZIAGYGMSSA-N 2 2 293.842 2.460 10 0 CEAELP CCOCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250217 395463109 /nfs/dbraw/zinc/46/31/09/395463109.db2.gz GVRVOWOZDKAWTC-CQSZACIVSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195250217 395463113 /nfs/dbraw/zinc/46/31/13/395463113.db2.gz GVRVOWOZDKAWTC-CQSZACIVSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195250217 395463117 /nfs/dbraw/zinc/46/31/17/395463117.db2.gz GVRVOWOZDKAWTC-CQSZACIVSA-N 2 2 297.468 2.242 10 0 CEAELP CCOCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195250217 395463120 /nfs/dbraw/zinc/46/31/20/395463120.db2.gz GVRVOWOZDKAWTC-CQSZACIVSA-N 2 2 297.468 2.242 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CC2)c(OC)c1 ZINC000020226495 171091084 /nfs/dbraw/zinc/09/10/84/171091084.db2.gz BONIMEAXPLCTQV-AWEZNQCLSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CC2)c(OC)c1 ZINC000020226495 171091085 /nfs/dbraw/zinc/09/10/85/171091085.db2.gz BONIMEAXPLCTQV-AWEZNQCLSA-N 2 2 264.369 2.045 10 0 CEAELP CCC[N@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226676 171092322 /nfs/dbraw/zinc/09/23/22/171092322.db2.gz OLDTWYXFUOPKME-LBPRGKRZSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000020226676 171092324 /nfs/dbraw/zinc/09/23/24/171092324.db2.gz OLDTWYXFUOPKME-LBPRGKRZSA-N 2 2 252.358 2.045 10 0 CEAELP [NH3+]CCN1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000020394363 171180922 /nfs/dbraw/zinc/18/09/22/171180922.db2.gz HEIMRLGQPLARBY-UHFFFAOYSA-N 2 2 288.222 2.070 10 0 CEAELP CCC[NH2+][C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000037241125 173058217 /nfs/dbraw/zinc/05/82/17/173058217.db2.gz ZMIJKBJRZZCPPX-HNNXBMFYSA-N 2 2 250.361 2.442 10 0 CEAELP CCC[NH2+][C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000037241125 173058219 /nfs/dbraw/zinc/05/82/19/173058219.db2.gz ZMIJKBJRZZCPPX-HNNXBMFYSA-N 2 2 250.361 2.442 10 0 CEAELP [NH3+]CCN(Cc1cn2ccccc2[nH+]1)Cc1ccccc1 ZINC000038033247 174030690 /nfs/dbraw/zinc/03/06/90/174030690.db2.gz XZEFOPJGRSKQLQ-UHFFFAOYSA-N 2 2 280.375 2.295 10 0 CEAELP COc1ccc(C[C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040639064 174362702 /nfs/dbraw/zinc/36/27/02/174362702.db2.gz FURWPRIGMHUVEZ-CYBMUJFWSA-N 2 2 273.380 2.192 10 0 CEAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccc3c1OCO3)C2 ZINC000040667102 174366521 /nfs/dbraw/zinc/36/65/21/174366521.db2.gz SKFUADWGOHJHBA-AGUYFDCRSA-N 2 2 274.364 2.130 10 0 CEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cccc3c1OCO3)C2 ZINC000040667102 174366522 /nfs/dbraw/zinc/36/65/22/174366522.db2.gz SKFUADWGOHJHBA-AGUYFDCRSA-N 2 2 274.364 2.130 10 0 CEAELP CC[N@H+](C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747487 174392931 /nfs/dbraw/zinc/39/29/31/174392931.db2.gz VKSIIFZVHPEVBJ-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP CC[N@@H+](C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747487 174392933 /nfs/dbraw/zinc/39/29/33/174392933.db2.gz VKSIIFZVHPEVBJ-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2[nH]1 ZINC000040750271 174395307 /nfs/dbraw/zinc/39/53/07/174395307.db2.gz DKFYONGXCLAJLX-YOGCLGLASA-N 2 2 256.353 2.017 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC000040750271 174395308 /nfs/dbraw/zinc/39/53/08/174395308.db2.gz DKFYONGXCLAJLX-YOGCLGLASA-N 2 2 256.353 2.017 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(OC)CC1 ZINC000043334786 175010429 /nfs/dbraw/zinc/01/04/29/175010429.db2.gz FOMZZAKDIRAYMZ-JSGCOSHPSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043334493 175010622 /nfs/dbraw/zinc/01/06/22/175010622.db2.gz GPIGYUFCTOYIMO-IPYPFGDCSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCCC[C@@H]1CCO ZINC000043334493 175010624 /nfs/dbraw/zinc/01/06/24/175010624.db2.gz GPIGYUFCTOYIMO-IPYPFGDCSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)[C@@H]1CCSC1 ZINC000043339154 175013221 /nfs/dbraw/zinc/01/32/21/175013221.db2.gz PGRBGHIIRFSKMI-BZPMIXESSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043339154 175013223 /nfs/dbraw/zinc/01/32/23/175013223.db2.gz PGRBGHIIRFSKMI-BZPMIXESSA-N 2 2 265.426 2.297 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345935 175016998 /nfs/dbraw/zinc/01/69/98/175016998.db2.gz NQOWNKNKLCPIRN-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345935 175016999 /nfs/dbraw/zinc/01/69/99/175016999.db2.gz NQOWNKNKLCPIRN-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043347946 175017862 /nfs/dbraw/zinc/01/78/62/175017862.db2.gz JNTTZIKYCURXJZ-IRXDYDNUSA-N 3 2 290.455 2.134 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000043353915 175021028 /nfs/dbraw/zinc/02/10/28/175021028.db2.gz PPTDEYGQGTXSEL-JKSUJKDBSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354617 175021999 /nfs/dbraw/zinc/02/19/99/175021999.db2.gz PAROMTZHMJTHDS-IRXDYDNUSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354617 175022000 /nfs/dbraw/zinc/02/20/00/175022000.db2.gz PAROMTZHMJTHDS-IRXDYDNUSA-N 2 2 291.439 2.487 10 0 CEAELP COC1CC[NH+]([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364098 175024909 /nfs/dbraw/zinc/02/49/09/175024909.db2.gz KXOIUGQGILYZPV-BXUZGUMPSA-N 2 2 252.358 2.087 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCCOC)CCOC ZINC000043365049 175026617 /nfs/dbraw/zinc/02/66/17/175026617.db2.gz QZYWNQLVWRWZSP-GDBMZVCRSA-N 2 2 298.427 2.351 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCCOC)CCOC ZINC000043365049 175026619 /nfs/dbraw/zinc/02/66/19/175026619.db2.gz QZYWNQLVWRWZSP-GDBMZVCRSA-N 2 2 298.427 2.351 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898356 175120979 /nfs/dbraw/zinc/12/09/79/175120979.db2.gz OSAJRWUXDROQBR-SNPRPXQTSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898356 175120980 /nfs/dbraw/zinc/12/09/80/175120980.db2.gz OSAJRWUXDROQBR-SNPRPXQTSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902256 175122333 /nfs/dbraw/zinc/12/23/33/175122333.db2.gz XPCRQQGDSMQNHV-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902256 175122335 /nfs/dbraw/zinc/12/23/35/175122335.db2.gz XPCRQQGDSMQNHV-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1CCCCCC[C@H]1[NH+](CCOC)CCOC ZINC000043912748 175124263 /nfs/dbraw/zinc/12/42/63/175124263.db2.gz LEMGIJRXHLYMLQ-HZPDHXFCSA-N 2 2 286.460 2.282 10 0 CEAELP CCC[C@H]([NH2+]CC)[C@H](CC)[NH+](CCOC)CCOC ZINC000043912808 175124369 /nfs/dbraw/zinc/12/43/69/175124369.db2.gz CVWGILHPWJUACZ-GJZGRUSLSA-N 2 2 274.449 2.138 10 0 CEAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969088 175130842 /nfs/dbraw/zinc/13/08/42/175130842.db2.gz RRHOBZUHQZFQRX-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969088 175130843 /nfs/dbraw/zinc/13/08/43/175130843.db2.gz RRHOBZUHQZFQRX-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](CCCOC)CCOC ZINC000043970839 175132169 /nfs/dbraw/zinc/13/21/69/175132169.db2.gz OUOZMMYDXKSHIH-RDJZCZTQSA-N 2 2 294.439 2.321 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](CCCOC)CCOC ZINC000043970839 175132170 /nfs/dbraw/zinc/13/21/70/175132170.db2.gz OUOZMMYDXKSHIH-RDJZCZTQSA-N 2 2 294.439 2.321 10 0 CEAELP CC[NH2+][C@H](CC)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970717 175132266 /nfs/dbraw/zinc/13/22/66/175132266.db2.gz FYIPQFHUOHKVPL-UKRRQHHQSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH+]2Cc3ccc(N)cc3C2)C1 ZINC000045136409 175313938 /nfs/dbraw/zinc/31/39/38/175313938.db2.gz NKDHVROCDCQOGL-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH+]2Cc3ccc(N)cc3C2)C1 ZINC000045136409 175313939 /nfs/dbraw/zinc/31/39/39/175313939.db2.gz NKDHVROCDCQOGL-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@@H+]2Cc3ccc(N)cc3C2)C1 ZINC000045136409 175313941 /nfs/dbraw/zinc/31/39/41/175313941.db2.gz NKDHVROCDCQOGL-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@H+]2Cc3ccc(N)cc3C2)C1 ZINC000045136409 175313942 /nfs/dbraw/zinc/31/39/42/175313942.db2.gz NKDHVROCDCQOGL-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+](CC)c1ccccc1C)C(N)=O ZINC000045369959 175363856 /nfs/dbraw/zinc/36/38/56/175363856.db2.gz RKRLRENTJUIVPC-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+](CC)c1ccccc1C)C(N)=O ZINC000045369959 175363857 /nfs/dbraw/zinc/36/38/57/175363857.db2.gz RKRLRENTJUIVPC-KRWDZBQOSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCC1)C(=O)OCC ZINC000045375259 175366158 /nfs/dbraw/zinc/36/61/58/175366158.db2.gz WAPMSKQNWYWMBP-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CC[NH2+][C@@](C)(CCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377529 175367008 /nfs/dbraw/zinc/36/70/08/175367008.db2.gz MSINOKGKMSONMG-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP COC(=O)[C@@](C)(CCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378361 175367508 /nfs/dbraw/zinc/36/75/08/175367508.db2.gz VIOIBPKBXMVQCU-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381056 175369742 /nfs/dbraw/zinc/36/97/42/175369742.db2.gz NPSRTTAWHQDVFR-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381056 175369744 /nfs/dbraw/zinc/36/97/44/175369744.db2.gz NPSRTTAWHQDVFR-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP CC[C@]1(C)C[C@@](C[NH3+])([NH+]2CCC(COC)CC2)CCO1 ZINC000070366765 175896451 /nfs/dbraw/zinc/89/64/51/175896451.db2.gz DPWBFQIMHFLJGP-CVEARBPZSA-N 2 2 284.444 2.021 10 0 CEAELP CC[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(C)(C)C ZINC000071191363 176069177 /nfs/dbraw/zinc/06/91/77/176069177.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(C)(C)C ZINC000071191363 176069178 /nfs/dbraw/zinc/06/91/78/176069178.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191363 176069180 /nfs/dbraw/zinc/06/91/80/176069180.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC000071191363 176069182 /nfs/dbraw/zinc/06/91/82/176069182.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 3 2 269.477 2.284 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191299 176069335 /nfs/dbraw/zinc/06/93/35/176069335.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191299 176069337 /nfs/dbraw/zinc/06/93/37/176069337.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191299 176069338 /nfs/dbraw/zinc/06/93/38/176069338.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191299 176069340 /nfs/dbraw/zinc/06/93/40/176069340.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 3 2 275.440 2.268 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191941 176071954 /nfs/dbraw/zinc/07/19/54/176071954.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191941 176071955 /nfs/dbraw/zinc/07/19/55/176071955.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191941 176071957 /nfs/dbraw/zinc/07/19/57/176071957.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191941 176071958 /nfs/dbraw/zinc/07/19/58/176071958.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@H+](CCOC2CCCC2)C1 ZINC000071199906 176077312 /nfs/dbraw/zinc/07/73/12/176077312.db2.gz LUJUVDLJGKVCTL-AWEZNQCLSA-N 2 2 254.418 2.408 10 0 CEAELP CC(C)[NH2+][C@H]1CCC[N@@H+](CCOC2CCCC2)C1 ZINC000071199906 176077313 /nfs/dbraw/zinc/07/73/13/176077313.db2.gz LUJUVDLJGKVCTL-AWEZNQCLSA-N 2 2 254.418 2.408 10 0 CEAELP CC(C)[NH2+][C@H]1CC[N@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200754 176077653 /nfs/dbraw/zinc/07/76/53/176077653.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@H]1CC[N@@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200754 176077655 /nfs/dbraw/zinc/07/76/55/176077655.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@H]1CC[NH+](CCCC[N@H+](C)C(C)C)C1 ZINC000071200754 176077656 /nfs/dbraw/zinc/07/76/56/176077656.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@H]1CC[NH+](CCCC[N@@H+](C)C(C)C)C1 ZINC000071200754 176077657 /nfs/dbraw/zinc/07/76/57/176077657.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CCC[C@H]1C[NH2+][C@@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000071356831 176136824 /nfs/dbraw/zinc/13/68/24/176136824.db2.gz XFWLTABULOIXDE-HOTGVXAUSA-N 2 2 278.444 2.434 10 0 CEAELP C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000399227696 270368022 /nfs/dbraw/zinc/36/80/22/270368022.db2.gz ZLLRVFZALMQZMZ-BBRMVZONSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000399227696 270368023 /nfs/dbraw/zinc/36/80/23/270368023.db2.gz ZLLRVFZALMQZMZ-BBRMVZONSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@@H](C[NH3+])c1c[nH+]c2ccc(Br)cn21 ZINC000033507411 278251085 /nfs/dbraw/zinc/25/10/85/278251085.db2.gz OJVCTVVLNUKLBU-ZETCQYMHSA-N 2 2 254.131 2.159 10 0 CEAELP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049554359 279258142 /nfs/dbraw/zinc/25/81/42/279258142.db2.gz YPKAHHRCKSKPET-TZMCWYRMSA-N 2 2 275.396 2.024 10 0 CEAELP CCCOc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H](C)COC)c1 ZINC000052921150 520468250 /nfs/dbraw/zinc/46/82/50/520468250.db2.gz OBTVMTDHHSYBFQ-BBRMVZONSA-N 2 2 280.412 2.442 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000052810887 521832053 /nfs/dbraw/zinc/83/20/53/521832053.db2.gz OATUFJNWTLEVIF-GFCCVEGCSA-N 2 2 256.415 2.322 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000052810887 521832067 /nfs/dbraw/zinc/83/20/67/521832067.db2.gz OATUFJNWTLEVIF-GFCCVEGCSA-N 2 2 256.415 2.322 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697727 519804939 /nfs/dbraw/zinc/80/49/39/519804939.db2.gz DHMNSWHGYZMXNY-HIFRSBDPSA-N 2 2 272.396 2.153 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540184 519989216 /nfs/dbraw/zinc/98/92/16/519989216.db2.gz HHYIAMGDMIMAAE-JKSUJKDBSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540184 519989228 /nfs/dbraw/zinc/98/92/28/519989228.db2.gz HHYIAMGDMIMAAE-JKSUJKDBSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540410 520027444 /nfs/dbraw/zinc/02/74/44/520027444.db2.gz NYTGAWJXQZUALD-LSDHHAIUSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1C ZINC000052540410 520027459 /nfs/dbraw/zinc/02/74/59/520027459.db2.gz NYTGAWJXQZUALD-LSDHHAIUSA-N 2 2 278.396 2.451 10 0 CEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321522 520093729 /nfs/dbraw/zinc/09/37/29/520093729.db2.gz RZFSEUBIYDKFNX-KGLIPLIRSA-N 2 2 262.401 2.138 10 0 CEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)cn2)[C@H](C)C1 ZINC000061321522 520093732 /nfs/dbraw/zinc/09/37/32/520093732.db2.gz RZFSEUBIYDKFNX-KGLIPLIRSA-N 2 2 262.401 2.138 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc(OC)c(F)c1 ZINC000061668927 520107074 /nfs/dbraw/zinc/10/70/74/520107074.db2.gz LARIUSXGIFQIBG-LBPRGKRZSA-N 2 2 263.316 2.451 10 0 CEAELP CCCOc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H](C)COC)c1 ZINC000052921150 520468241 /nfs/dbraw/zinc/46/82/41/520468241.db2.gz OBTVMTDHHSYBFQ-BBRMVZONSA-N 2 2 280.412 2.442 10 0 CEAELP CCCC[C@](CC)(C(=O)OCC)[N@@H+]1CCC[NH2+]CC1 ZINC000069381854 521252705 /nfs/dbraw/zinc/25/27/05/521252705.db2.gz UZJLNHNAKWHTPL-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CCCC[C@](CC)(C(=O)OCC)[N@H+]1CCC[NH2+]CC1 ZINC000069381854 521252707 /nfs/dbraw/zinc/25/27/07/521252707.db2.gz UZJLNHNAKWHTPL-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579159 521476836 /nfs/dbraw/zinc/47/68/36/521476836.db2.gz LLHDTBQGWCPLJS-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579159 521476843 /nfs/dbraw/zinc/47/68/43/521476843.db2.gz LLHDTBQGWCPLJS-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CCC1(C)CC[NH+]([C@@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000062951312 521678549 /nfs/dbraw/zinc/67/85/49/521678549.db2.gz SGDIKUIDSHGQJM-GXTWGEPZSA-N 2 2 264.417 2.321 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000052203831 521953013 /nfs/dbraw/zinc/95/30/13/521953013.db2.gz LKJRZJKUPKSNAD-YOEHRIQHSA-N 2 2 294.439 2.232 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000052203831 521953026 /nfs/dbraw/zinc/95/30/26/521953026.db2.gz LKJRZJKUPKSNAD-YOEHRIQHSA-N 2 2 294.439 2.232 10 0 CEAELP CC[C@@H](C)[N@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547165 522091424 /nfs/dbraw/zinc/09/14/24/522091424.db2.gz GUVXGPHZCVFRLS-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CC[C@@H](C)[N@@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547165 522091429 /nfs/dbraw/zinc/09/14/29/522091429.db2.gz GUVXGPHZCVFRLS-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCCOCC(F)(F)F ZINC000062803199 522338213 /nfs/dbraw/zinc/33/82/13/522338213.db2.gz QRWWPTNPCQJYSH-JTQLQIEISA-N 2 2 279.306 2.132 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000062807215 522507014 /nfs/dbraw/zinc/50/70/14/522507014.db2.gz ALGPTMMUZGWITK-BDJLRTHQSA-N 2 2 283.379 2.269 10 0 CEAELP CCc1[nH+]ccn1-c1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798112 522579910 /nfs/dbraw/zinc/57/99/10/522579910.db2.gz OBJFAWUHWIDFCR-UHFFFAOYSA-N 2 2 265.320 2.267 10 0 CEAELP COc1cc(OC)c(C[NH2+][C@H](C)CC[NH+](C)C)c(OC)c1 ZINC000049553807 522797445 /nfs/dbraw/zinc/79/74/45/522797445.db2.gz WDQSOXGNLBMKIG-GFCCVEGCSA-N 2 2 296.411 2.142 10 0 CEAELP CC[C@@]1(C[NH2+]Cc2csc(C)n2)CCC[NH2+]C1 ZINC000062862664 523734712 /nfs/dbraw/zinc/73/47/12/523734712.db2.gz ALJORBRTGXPTPE-CYBMUJFWSA-N 2 2 253.415 2.321 10 0 CEAELP C[C@H](CC[NH+](C)C)n1c(N)[nH+]c2c1cccc2F ZINC000049559118 524171776 /nfs/dbraw/zinc/17/17/76/524171776.db2.gz WLMGRUPXUWAAIQ-SECBINFHSA-N 2 2 250.321 2.270 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417726 524193389 /nfs/dbraw/zinc/19/33/89/524193389.db2.gz IMNGXCFPXWNUFH-CYBMUJFWSA-N 2 2 296.484 2.432 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC000178288072 534777219 /nfs/dbraw/zinc/77/72/19/534777219.db2.gz DQXLVCHZBKGMJG-HNNXBMFYSA-N 2 2 263.385 2.083 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC000178288072 534777224 /nfs/dbraw/zinc/77/72/24/534777224.db2.gz DQXLVCHZBKGMJG-HNNXBMFYSA-N 2 2 263.385 2.083 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419803 524476539 /nfs/dbraw/zinc/47/65/39/524476539.db2.gz BACQQDZKWOJJQH-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419803 524476545 /nfs/dbraw/zinc/47/65/45/524476545.db2.gz BACQQDZKWOJJQH-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418204 524478473 /nfs/dbraw/zinc/47/84/73/524478473.db2.gz OOAHKCPCDCGQFR-CQSZACIVSA-N 2 2 291.414 2.336 10 0 CEAELP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052475833 524722101 /nfs/dbraw/zinc/72/21/01/524722101.db2.gz USBYRBQOJJZASN-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052475833 524722111 /nfs/dbraw/zinc/72/21/11/524722111.db2.gz USBYRBQOJJZASN-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757514 524856113 /nfs/dbraw/zinc/85/61/13/524856113.db2.gz PPBOEZNGZUTKRD-IACUBPJLSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757514 524856123 /nfs/dbraw/zinc/85/61/23/524856123.db2.gz PPBOEZNGZUTKRD-IACUBPJLSA-N 2 2 268.426 2.373 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+]2CCC(OC)CC2)cc1C ZINC000050596619 525352032 /nfs/dbraw/zinc/35/20/32/525352032.db2.gz XISUKFWBOGFPQQ-HNNXBMFYSA-N 2 2 278.396 2.114 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757338 525951058 /nfs/dbraw/zinc/95/10/58/525951058.db2.gz BZRPWHCQHVJGQZ-OLZOCXBDSA-N 2 2 268.426 2.293 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052757338 525951067 /nfs/dbraw/zinc/95/10/67/525951067.db2.gz BZRPWHCQHVJGQZ-OLZOCXBDSA-N 2 2 268.426 2.293 10 0 CEAELP Cc1csc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170150 526423621 /nfs/dbraw/zinc/42/36/21/526423621.db2.gz BWMNBDCRXUXSDD-ZDUSSCGKSA-N 2 2 292.408 2.112 10 0 CEAELP Cc1csc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170150 526423624 /nfs/dbraw/zinc/42/36/24/526423624.db2.gz BWMNBDCRXUXSDD-ZDUSSCGKSA-N 2 2 292.408 2.112 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+]1CCOCC1(C)C ZINC000052546207 526775406 /nfs/dbraw/zinc/77/54/06/526775406.db2.gz IHYFQGQAJQPPQW-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+]1CCOCC1(C)C ZINC000052546207 526775411 /nfs/dbraw/zinc/77/54/11/526775411.db2.gz IHYFQGQAJQPPQW-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1CCCO1 ZINC000049900611 527170323 /nfs/dbraw/zinc/17/03/23/527170323.db2.gz FGAZYQQDRVYNFZ-CYBMUJFWSA-N 2 2 259.353 2.113 10 0 CEAELP Cc1nn(C)c(-n2c[nH+]c(C)c2C)c1C[NH2+]C(C)(C)C ZINC000062738892 527460101 /nfs/dbraw/zinc/46/01/01/527460101.db2.gz JOMRYZDPVRRHLZ-UHFFFAOYSA-N 2 2 275.400 2.419 10 0 CEAELP Nc1ccc2c(c1)[nH+]cn2CCCCn1cc[nH+]c1 ZINC000052854427 527510174 /nfs/dbraw/zinc/51/01/74/527510174.db2.gz MVPILYCGPUTXEC-UHFFFAOYSA-N 2 2 255.325 2.295 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000086120186 535867852 /nfs/dbraw/zinc/86/78/52/535867852.db2.gz IZPWQTIWWSLQKV-KRWDZBQOSA-N 2 2 291.414 2.465 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1cc(Cl)cn1 ZINC000176077361 624096389 /nfs/dbraw/zinc/09/63/89/624096389.db2.gz MENVJNQVPDFDRI-ZDUSSCGKSA-N 2 2 279.775 2.164 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cc(Cl)cn1 ZINC000176077361 624096392 /nfs/dbraw/zinc/09/63/92/624096392.db2.gz MENVJNQVPDFDRI-ZDUSSCGKSA-N 2 2 279.775 2.164 10 0 CEAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261925578 629326746 /nfs/dbraw/zinc/32/67/46/629326746.db2.gz KYZPNIYOYVLMCD-OAHLLOKOSA-N 2 2 260.381 2.399 10 0 CEAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OCC2CC2)cc1 ZINC000261925578 629326749 /nfs/dbraw/zinc/32/67/49/629326749.db2.gz KYZPNIYOYVLMCD-OAHLLOKOSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000567640450 299070603 /nfs/dbraw/zinc/07/06/03/299070603.db2.gz JPJSXWWJKGTOEG-DOTOQJQBSA-N 2 2 298.434 2.409 10 0 CEAELP Fc1cc(Cl)ccc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097023268 185153632 /nfs/dbraw/zinc/15/36/32/185153632.db2.gz NUIZNRZVSKAVEC-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnn3ccccc23)c[nH+]1 ZINC000188403646 539178826 /nfs/dbraw/zinc/17/88/26/539178826.db2.gz JDNJJIQDPDZXNM-HNNXBMFYSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cnn3ccccc23)c[nH+]1 ZINC000188403646 539178827 /nfs/dbraw/zinc/17/88/27/539178827.db2.gz JDNJJIQDPDZXNM-HNNXBMFYSA-N 2 2 281.363 2.195 10 0 CEAELP C[NH+](C)[C@H](C[NH2+]CC1CCOCC1)c1ccccc1 ZINC000052175530 282247518 /nfs/dbraw/zinc/24/75/18/282247518.db2.gz MSQKRRCBGPKWEE-MRXNPFEDSA-N 2 2 262.397 2.306 10 0 CEAELP O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000037321164 343426748 /nfs/dbraw/zinc/42/67/48/343426748.db2.gz IMQVRBTZYANTST-ZBFHGGJFSA-N 2 2 271.364 2.265 10 0 CEAELP c1cn(CCOC2CCC3(CC[NH2+]CC3)CC2)c[nH+]1 ZINC000113934836 344278104 /nfs/dbraw/zinc/27/81/04/344278104.db2.gz WZENLXJYARERHW-UHFFFAOYSA-N 2 2 263.385 2.212 10 0 CEAELP Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000306674062 344716251 /nfs/dbraw/zinc/71/62/51/344716251.db2.gz PHLSYXOKJPEHDO-HNNXBMFYSA-N 2 2 268.364 2.350 10 0 CEAELP Nc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000306674062 344716252 /nfs/dbraw/zinc/71/62/52/344716252.db2.gz PHLSYXOKJPEHDO-HNNXBMFYSA-N 2 2 268.364 2.350 10 0 CEAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)o1 ZINC000229194687 539453389 /nfs/dbraw/zinc/45/33/89/539453389.db2.gz FSTFFAXBTCQPES-DRZSPHRISA-N 2 2 252.358 2.006 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cc(F)cc(F)c1 ZINC000151301880 232217744 /nfs/dbraw/zinc/21/77/44/232217744.db2.gz ZKNMZHAUMRCGCO-BLLLJJGKSA-N 2 2 298.377 2.462 10 0 CEAELP CC[NH2+][C@H](CC[C@@H](C)OC)Cc1[nH+]ccn1CC ZINC000097304673 185582110 /nfs/dbraw/zinc/58/21/10/185582110.db2.gz DMIUQJAQIPHIND-CHWSQXEVSA-N 2 2 253.390 2.239 10 0 CEAELP O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180373695 232397959 /nfs/dbraw/zinc/39/79/59/232397959.db2.gz ZKYZMRYLRXYKMW-PBHICJAKSA-N 2 2 285.391 2.461 10 0 CEAELP O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180373695 232397960 /nfs/dbraw/zinc/39/79/60/232397960.db2.gz ZKYZMRYLRXYKMW-PBHICJAKSA-N 2 2 285.391 2.461 10 0 CEAELP Cc1cc2[nH+]cn(CCC[C@](C)(O)C[NH3+])c2cc1C ZINC000085304607 179012222 /nfs/dbraw/zinc/01/22/22/179012222.db2.gz OFCGKURRUKQLPO-HNNXBMFYSA-N 2 2 261.369 2.143 10 0 CEAELP C[C@H](C[C@](C)(O)C[NH3+])n1cc[nH+]c1-c1ccccc1 ZINC000085304758 179012228 /nfs/dbraw/zinc/01/22/28/179012228.db2.gz GBNUOAOQBLTAQS-DOMZBBRYSA-N 2 2 259.353 2.211 10 0 CEAELP CC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085474881 179078680 /nfs/dbraw/zinc/07/86/80/179078680.db2.gz OOLUYTBXTQWRSI-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085474881 179078681 /nfs/dbraw/zinc/07/86/81/179078681.db2.gz OOLUYTBXTQWRSI-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000085550235 179093211 /nfs/dbraw/zinc/09/32/11/179093211.db2.gz FNRNKKGRKLGLSA-SECBINFHSA-N 2 2 257.428 2.102 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000085550235 179093213 /nfs/dbraw/zinc/09/32/13/179093213.db2.gz FNRNKKGRKLGLSA-SECBINFHSA-N 2 2 257.428 2.102 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610442 179100885 /nfs/dbraw/zinc/10/08/85/179100885.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 3 2 276.428 2.190 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610442 179100887 /nfs/dbraw/zinc/10/08/87/179100887.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 3 2 276.428 2.190 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000085613105 179103257 /nfs/dbraw/zinc/10/32/57/179103257.db2.gz SZTVCJJEGGODDX-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)n1 ZINC000085613105 179103258 /nfs/dbraw/zinc/10/32/58/179103258.db2.gz SZTVCJJEGGODDX-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+]C(CC)(CC)C2)cn1 ZINC000085617520 179103689 /nfs/dbraw/zinc/10/36/89/179103689.db2.gz QSYIYFPMBDZCGA-UHFFFAOYSA-N 2 2 264.417 2.257 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+]C(CC)(CC)C2)cn1 ZINC000085617520 179103690 /nfs/dbraw/zinc/10/36/90/179103690.db2.gz QSYIYFPMBDZCGA-UHFFFAOYSA-N 2 2 264.417 2.257 10 0 CEAELP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000085622375 179105202 /nfs/dbraw/zinc/10/52/02/179105202.db2.gz PJTOEKKZXFJUAP-NSHDSACASA-N 2 2 252.333 2.018 10 0 CEAELP COc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1F ZINC000085622375 179105203 /nfs/dbraw/zinc/10/52/03/179105203.db2.gz PJTOEKKZXFJUAP-NSHDSACASA-N 2 2 252.333 2.018 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622207 179105677 /nfs/dbraw/zinc/10/56/77/179105677.db2.gz CXZBMQANCSKYSD-DZGCQCFKSA-N 2 2 264.417 2.019 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622207 179105680 /nfs/dbraw/zinc/10/56/80/179105680.db2.gz CXZBMQANCSKYSD-DZGCQCFKSA-N 2 2 264.417 2.019 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675450 179112701 /nfs/dbraw/zinc/11/27/01/179112701.db2.gz IIEXYNIQSKVNPJ-BARDWOONSA-N 2 2 266.429 2.264 10 0 CEAELP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000085636207 179109404 /nfs/dbraw/zinc/10/94/04/179109404.db2.gz DCDYJQMQCFEGGE-AJNGGQMLSA-N 2 2 266.429 2.264 10 0 CEAELP C[NH2+][C@H](Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000085799096 179173353 /nfs/dbraw/zinc/17/33/53/179173353.db2.gz OSTXYQCSESTWLH-LLVKDONJSA-N 2 2 289.192 2.280 10 0 CEAELP CC[NH2+][C@@H](CCO)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085921697 179200202 /nfs/dbraw/zinc/20/02/02/179200202.db2.gz COUJEJISWOZUDO-SFHVURJKSA-N 2 2 290.451 2.302 10 0 CEAELP CC[NH2+][C@H](CCO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085922944 179201318 /nfs/dbraw/zinc/20/13/18/179201318.db2.gz NXALDQTUDCMEJQ-CQSZACIVSA-N 2 2 254.418 2.003 10 0 CEAELP CC[NH2+][C@@H](CCO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000085922596 179201337 /nfs/dbraw/zinc/20/13/37/179201337.db2.gz UVFQNRRUPNOZBY-AWEZNQCLSA-N 2 2 256.434 2.105 10 0 CEAELP CCC[NH2+][C@H](CCO)Cn1c(C)[nH+]c2ccccc21 ZINC000085923282 179201510 /nfs/dbraw/zinc/20/15/10/179201510.db2.gz WHQOEHVHRUZLTL-CYBMUJFWSA-N 2 2 261.369 2.095 10 0 CEAELP CC[C@H](C)[C@H]1CN(Cc2[nH+]ccn2C)[C@@H](CC)C[NH2+]1 ZINC000086175575 179245572 /nfs/dbraw/zinc/24/55/72/179245572.db2.gz COMOXNXMFYFKMM-MELADBBJSA-N 2 2 264.417 2.019 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264840 179261147 /nfs/dbraw/zinc/26/11/47/179261147.db2.gz FPUSCVNCJHZNQV-AWEZNQCLSA-N 2 2 276.428 2.307 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297116 179268289 /nfs/dbraw/zinc/26/82/89/179268289.db2.gz AKEJWZSVVXJUEF-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297116 179268292 /nfs/dbraw/zinc/26/82/92/179268292.db2.gz AKEJWZSVVXJUEF-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CSC[C@H](C)C[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086298545 179268463 /nfs/dbraw/zinc/26/84/63/179268463.db2.gz HGPGXELTGTXERP-TZMCWYRMSA-N 2 2 256.459 2.450 10 0 CEAELP CSC[C@H](C)C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086298545 179268466 /nfs/dbraw/zinc/26/84/66/179268466.db2.gz HGPGXELTGTXERP-TZMCWYRMSA-N 2 2 256.459 2.450 10 0 CEAELP C[N@@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086833632 179349327 /nfs/dbraw/zinc/34/93/27/179349327.db2.gz SGKSHNLITINQCR-AWEZNQCLSA-N 2 2 265.426 2.292 10 0 CEAELP C[N@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086833632 179349329 /nfs/dbraw/zinc/34/93/29/179349329.db2.gz SGKSHNLITINQCR-AWEZNQCLSA-N 2 2 265.426 2.292 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@@H]1CCC[N@H+](C)CC1)C(C)C ZINC000086817015 179345052 /nfs/dbraw/zinc/34/50/52/179345052.db2.gz GDJIKULTERFXOI-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@@H]1CCC[N@@H+](C)CC1)C(C)C ZINC000086817015 179345053 /nfs/dbraw/zinc/34/50/53/179345053.db2.gz GDJIKULTERFXOI-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP CC[NH2+][C@]1(c2nccs2)CCC[N@H+](CC)CC1 ZINC000086851471 179359901 /nfs/dbraw/zinc/35/99/01/179359901.db2.gz WKUAASSJSXVSHB-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP CC[NH2+][C@]1(c2nccs2)CCC[N@@H+](CC)CC1 ZINC000086851471 179359903 /nfs/dbraw/zinc/35/99/03/179359903.db2.gz WKUAASSJSXVSHB-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891880 179366431 /nfs/dbraw/zinc/36/64/31/179366431.db2.gz RWJDIKZZKDYZMM-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891880 179366433 /nfs/dbraw/zinc/36/64/33/179366433.db2.gz RWJDIKZZKDYZMM-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP COC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915583 179367203 /nfs/dbraw/zinc/36/72/03/179367203.db2.gz QKWUDKQMAMVFRF-INIZCTEOSA-N 2 2 282.428 2.184 10 0 CEAELP COC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915583 179367204 /nfs/dbraw/zinc/36/72/04/179367204.db2.gz QKWUDKQMAMVFRF-INIZCTEOSA-N 2 2 282.428 2.184 10 0 CEAELP COC[C@H](C)[N@@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511280 522596705 /nfs/dbraw/zinc/59/67/05/522596705.db2.gz LFVFTDWWEMIHNU-LBPRGKRZSA-N 2 2 285.457 2.355 10 0 CEAELP COC[C@H](C)[N@H+](C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052511280 522596691 /nfs/dbraw/zinc/59/66/91/522596691.db2.gz LFVFTDWWEMIHNU-LBPRGKRZSA-N 2 2 285.457 2.355 10 0 CEAELP C[C@@H]1CCC[C@](O)(C[NH2+]C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087051472 179388955 /nfs/dbraw/zinc/38/89/55/179388955.db2.gz GWNDJVHDYYZJQR-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@](O)(C[NH2+]C[C@@H]2CCCC[N@H+]2C)C1 ZINC000087051472 179388957 /nfs/dbraw/zinc/38/89/57/179388957.db2.gz GWNDJVHDYYZJQR-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616604130 348531837 /nfs/dbraw/zinc/53/18/37/348531837.db2.gz AXNRKNZHNGZQLY-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccccc1[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616604130 348531841 /nfs/dbraw/zinc/53/18/41/348531841.db2.gz AXNRKNZHNGZQLY-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cnnc2ccccc21 ZINC000616614949 348534951 /nfs/dbraw/zinc/53/49/51/348534951.db2.gz NDYMTJUVNNYTGM-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cnnc2ccccc21 ZINC000616614949 348534955 /nfs/dbraw/zinc/53/49/55/348534955.db2.gz NDYMTJUVNNYTGM-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616621473 348537358 /nfs/dbraw/zinc/53/73/58/348537358.db2.gz PFCFRLRCSBXMGI-ZDUSSCGKSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616621473 348537361 /nfs/dbraw/zinc/53/73/61/348537361.db2.gz PFCFRLRCSBXMGI-ZDUSSCGKSA-N 2 2 276.380 2.001 10 0 CEAELP [NH3+]CCN1CC[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616675813 348557330 /nfs/dbraw/zinc/55/73/30/348557330.db2.gz RFCSYRKMCPOCDH-AWEZNQCLSA-N 2 2 268.364 2.404 10 0 CEAELP CCOc1ccccc1OCC[N@H+](C)C(C)(C)C[NH3+] ZINC000088399652 179593366 /nfs/dbraw/zinc/59/33/66/179593366.db2.gz KBKRDFKAUWIZRJ-UHFFFAOYSA-N 2 2 266.385 2.133 10 0 CEAELP CCOc1ccccc1OCC[N@@H+](C)C(C)(C)C[NH3+] ZINC000088399652 179593369 /nfs/dbraw/zinc/59/33/69/179593369.db2.gz KBKRDFKAUWIZRJ-UHFFFAOYSA-N 2 2 266.385 2.133 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000400456552 233179184 /nfs/dbraw/zinc/17/91/84/233179184.db2.gz SQMWCILNMTYXKD-OBJOEFQTSA-N 2 2 278.396 2.495 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000090337130 179965995 /nfs/dbraw/zinc/96/59/95/179965995.db2.gz YTCYZNVSPNTJKO-WCQYABFASA-N 2 2 287.363 2.364 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000090337130 179965999 /nfs/dbraw/zinc/96/59/99/179965999.db2.gz YTCYZNVSPNTJKO-WCQYABFASA-N 2 2 287.363 2.364 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1F ZINC000090566298 180005605 /nfs/dbraw/zinc/00/56/05/180005605.db2.gz BJSGUERSZVPIPD-GDBMZVCRSA-N 2 2 280.387 2.272 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1F ZINC000090566298 180005607 /nfs/dbraw/zinc/00/56/07/180005607.db2.gz BJSGUERSZVPIPD-GDBMZVCRSA-N 2 2 280.387 2.272 10 0 CEAELP COC(C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090625121 180015780 /nfs/dbraw/zinc/01/57/80/180015780.db2.gz DWYLIBHFJBHAHL-CYBMUJFWSA-N 2 2 286.803 2.108 10 0 CEAELP COC(C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1)OC ZINC000090625121 180015781 /nfs/dbraw/zinc/01/57/81/180015781.db2.gz DWYLIBHFJBHAHL-CYBMUJFWSA-N 2 2 286.803 2.108 10 0 CEAELP C[C@H]1CC[NH+](CCOCC(F)(F)F)CC[C@H](C)[NH2+]1 ZINC000104440337 186003581 /nfs/dbraw/zinc/00/35/81/186003581.db2.gz FEWAZEKPODYOMM-QWRGUYRKSA-N 2 2 268.323 2.028 10 0 CEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000068803391 362949461 /nfs/dbraw/zinc/94/94/61/362949461.db2.gz STCRJGOXOYDJLK-PMPSAXMXSA-N 2 2 281.488 2.427 10 0 CEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000068803391 362949464 /nfs/dbraw/zinc/94/94/64/362949464.db2.gz STCRJGOXOYDJLK-PMPSAXMXSA-N 2 2 281.488 2.427 10 0 CEAELP CC[NH2+]CC[N@H+](CC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898925 180058240 /nfs/dbraw/zinc/05/82/40/180058240.db2.gz DRBFOHZGGONEEN-HNNXBMFYSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+]CC[N@@H+](CC)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898925 180058241 /nfs/dbraw/zinc/05/82/41/180058241.db2.gz DRBFOHZGGONEEN-HNNXBMFYSA-N 2 2 262.397 2.230 10 0 CEAELP CC(C)[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992779 180082075 /nfs/dbraw/zinc/08/20/75/180082075.db2.gz OHCBGIJPZZAGQY-JKSUJKDBSA-N 2 2 274.408 2.025 10 0 CEAELP CC(C)[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992779 180082076 /nfs/dbraw/zinc/08/20/76/180082076.db2.gz OHCBGIJPZZAGQY-JKSUJKDBSA-N 2 2 274.408 2.025 10 0 CEAELP [NH3+]C[C@H](CC(=O)NC1CC1)[NH+]1CCC2(CCCCC2)CC1 ZINC000091319800 180133891 /nfs/dbraw/zinc/13/38/91/180133891.db2.gz ZOURPTNJSQKSAW-HNNXBMFYSA-N 2 2 293.455 2.029 10 0 CEAELP CC(C)(C)N1C(=O)CCC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275606 180118855 /nfs/dbraw/zinc/11/88/55/180118855.db2.gz VCGFUWYOXBBADW-WFASDCNBSA-N 2 2 290.411 2.397 10 0 CEAELP CN(C)c1[nH+]cccc1NCc1c[nH+]cn1C1CC1 ZINC000091274823 180118976 /nfs/dbraw/zinc/11/89/76/180118976.db2.gz WNWLFCGNRJFXGT-UHFFFAOYSA-N 2 2 257.341 2.291 10 0 CEAELP C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276175 180119164 /nfs/dbraw/zinc/11/91/64/180119164.db2.gz DUBNAFMBSHIGJP-SCRDCRAPSA-N 2 2 262.401 2.196 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N1Cc2ccccc2C1 ZINC000091276505 180119851 /nfs/dbraw/zinc/11/98/51/180119851.db2.gz YSKRLMQRIGPAHE-HNNXBMFYSA-N 2 2 268.364 2.234 10 0 CEAELP Cn1c[nH+]cc1COc1cccc2c1CCC[C@@H]2[NH3+] ZINC000091278491 180121414 /nfs/dbraw/zinc/12/14/14/180121414.db2.gz MAWGSOPLXFNVPM-AWEZNQCLSA-N 2 2 257.337 2.335 10 0 CEAELP Cc1csc([C@@H](C)[NH2+]CC[C@@H]2CSCC[NH2+]2)n1 ZINC000091292344 180123421 /nfs/dbraw/zinc/12/34/21/180123421.db2.gz SSPUBOWCWVRIFC-GHMZBOCLSA-N 2 2 271.455 2.197 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)CC1CC(O)C1 ZINC000091451824 180158734 /nfs/dbraw/zinc/15/87/34/180158734.db2.gz AEUKYDNXSOOFCG-HOFDXXJLSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)CC1CC(O)C1 ZINC000091451824 180158736 /nfs/dbraw/zinc/15/87/36/180158736.db2.gz AEUKYDNXSOOFCG-HOFDXXJLSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091463324 180162587 /nfs/dbraw/zinc/16/25/87/180162587.db2.gz BJPXITPDADFXBS-MPCAOIJTSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091463324 180162588 /nfs/dbraw/zinc/16/25/88/180162588.db2.gz BJPXITPDADFXBS-MPCAOIJTSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091463330 180162709 /nfs/dbraw/zinc/16/27/09/180162709.db2.gz BJPXITPDADFXBS-BLMDWJLWSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091463330 180162711 /nfs/dbraw/zinc/16/27/11/180162711.db2.gz BJPXITPDADFXBS-BLMDWJLWSA-N 2 2 292.423 2.176 10 0 CEAELP C[NH2+][C@@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568144 180194619 /nfs/dbraw/zinc/19/46/19/180194619.db2.gz PPOUGDXZIGCFNI-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@](C)([C@@H](O)c1c(C)cc[nH+]c1N)[NH+]1CCCC1 ZINC000091602530 180203220 /nfs/dbraw/zinc/20/32/20/180203220.db2.gz OEMNMMPXWVSTMG-ZFWWWQNUSA-N 2 2 263.385 2.270 10 0 CEAELP CCCn1ncnc1C[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCCC1 ZINC000091609452 180205395 /nfs/dbraw/zinc/20/53/95/180205395.db2.gz RXVOPZPJOPFTKT-ZBFHGGJFSA-N 2 2 293.459 2.213 10 0 CEAELP CCC(CC)([C@@H](O)c1c(C)cc[nH+]c1N)[NH+](C)C ZINC000091613480 180208258 /nfs/dbraw/zinc/20/82/58/180208258.db2.gz RGIADMICQDHUJB-LBPRGKRZSA-N 2 2 251.374 2.126 10 0 CEAELP CCn1nc(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)c2ccccc21 ZINC000091528510 180180544 /nfs/dbraw/zinc/18/05/44/180180544.db2.gz AYNIRRVGEGGPDX-OAHLLOKOSA-N 2 2 274.412 2.266 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1nccn1CC ZINC000091716610 180232226 /nfs/dbraw/zinc/23/22/26/180232226.db2.gz MPTHXJODEHYIHP-ZDUSSCGKSA-N 2 2 252.406 2.286 10 0 CEAELP CC(C)c1ccc(C[C@H]([NH3+])[C@H]2C[N@H+](C)CCO2)cc1 ZINC000091717307 180232391 /nfs/dbraw/zinc/23/23/91/180232391.db2.gz ZWVGJPNXGFSPPR-JKSUJKDBSA-N 2 2 262.397 2.010 10 0 CEAELP CC(C)c1ccc(C[C@H]([NH3+])[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000091717307 180232394 /nfs/dbraw/zinc/23/23/94/180232394.db2.gz ZWVGJPNXGFSPPR-JKSUJKDBSA-N 2 2 262.397 2.010 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cnn(C)c1)n1cc[nH+]c1-c1ccccc1 ZINC000105554323 186063091 /nfs/dbraw/zinc/06/30/91/186063091.db2.gz KKFFRHIVBAXZCC-WFASDCNBSA-N 2 2 281.363 2.220 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721873 180240607 /nfs/dbraw/zinc/24/06/07/180240607.db2.gz FAKKIXJBHDYSRR-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721873 180240609 /nfs/dbraw/zinc/24/06/09/180240609.db2.gz FAKKIXJBHDYSRR-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2n2cc[nH+]c2)n1 ZINC000091994162 180301199 /nfs/dbraw/zinc/30/11/99/180301199.db2.gz ZJHBQIVWUYZJRG-GXTWGEPZSA-N 2 2 272.352 2.176 10 0 CEAELP Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)[nH+]cc1N ZINC000092027423 180309489 /nfs/dbraw/zinc/30/94/89/180309489.db2.gz QLNSRMCDRCTOPL-CYBMUJFWSA-N 2 2 260.385 2.037 10 0 CEAELP c1ccc2c(c1)C[C@H](C[NH2+]CCC[NH+]1CCOCC1)S2 ZINC000092242465 180351308 /nfs/dbraw/zinc/35/13/08/180351308.db2.gz ROMXVQDOBNCBRD-OAHLLOKOSA-N 2 2 292.448 2.015 10 0 CEAELP CCNc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000092370610 180369736 /nfs/dbraw/zinc/36/97/36/180369736.db2.gz VQPWIZUQHLMMCY-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCCSCC2)c1 ZINC000092418897 180382070 /nfs/dbraw/zinc/38/20/70/180382070.db2.gz MPGFCUMDYKMCFK-UHFFFAOYSA-N 2 2 251.399 2.452 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCCSCC2)c1 ZINC000092418897 180382071 /nfs/dbraw/zinc/38/20/71/180382071.db2.gz MPGFCUMDYKMCFK-UHFFFAOYSA-N 2 2 251.399 2.452 10 0 CEAELP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH2+]C3CC3)C2)n1 ZINC000092430068 180384541 /nfs/dbraw/zinc/38/45/41/180384541.db2.gz PTEMZTLFYZGKFS-CQSZACIVSA-N 2 2 259.397 2.354 10 0 CEAELP Cc1cccc(C[N@H+]2CCC[C@H](C[NH2+]C3CC3)C2)n1 ZINC000092430068 180384543 /nfs/dbraw/zinc/38/45/43/180384543.db2.gz PTEMZTLFYZGKFS-CQSZACIVSA-N 2 2 259.397 2.354 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](CCC(C)C)C1CC1 ZINC000109623880 186268275 /nfs/dbraw/zinc/26/82/75/186268275.db2.gz SFCBWSFGRSGXNE-LSDHHAIUSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](CCC(C)C)C1CC1 ZINC000109623880 186268276 /nfs/dbraw/zinc/26/82/76/186268276.db2.gz SFCBWSFGRSGXNE-LSDHHAIUSA-N 2 2 254.418 2.264 10 0 CEAELP C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110926047 186333470 /nfs/dbraw/zinc/33/34/70/186333470.db2.gz CLBVVNDIENEFDB-LBPRGKRZSA-N 2 2 270.323 2.472 10 0 CEAELP C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110926047 186333472 /nfs/dbraw/zinc/33/34/72/186333472.db2.gz CLBVVNDIENEFDB-LBPRGKRZSA-N 2 2 270.323 2.472 10 0 CEAELP C[N@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931376 186333827 /nfs/dbraw/zinc/33/38/27/186333827.db2.gz JDWBLPGXLBOLGB-AWEZNQCLSA-N 2 2 266.360 2.278 10 0 CEAELP C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000110931376 186333829 /nfs/dbraw/zinc/33/38/29/186333829.db2.gz JDWBLPGXLBOLGB-AWEZNQCLSA-N 2 2 266.360 2.278 10 0 CEAELP CC[N@H+](Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110942707 186334520 /nfs/dbraw/zinc/33/45/20/186334520.db2.gz MJKLKJINGNVEMR-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000110942707 186334521 /nfs/dbraw/zinc/33/45/21/186334521.db2.gz MJKLKJINGNVEMR-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)c(C)o1 ZINC000110755424 186321254 /nfs/dbraw/zinc/32/12/54/186321254.db2.gz UNITXWKANSSDMP-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCN(C)C(C)(C)C2)c(C)o1 ZINC000110755424 186321256 /nfs/dbraw/zinc/32/12/56/186321256.db2.gz UNITXWKANSSDMP-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCN1C ZINC000110752300 186321840 /nfs/dbraw/zinc/32/18/40/186321840.db2.gz OBQZCUORBPJXOX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCN1C ZINC000110752300 186321841 /nfs/dbraw/zinc/32/18/41/186321841.db2.gz OBQZCUORBPJXOX-CYBMUJFWSA-N 2 2 279.428 2.304 10 0 CEAELP CC(C)CC[C@](C)(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159536 186361955 /nfs/dbraw/zinc/36/19/55/186361955.db2.gz GSZIBRXUOKTHMW-OAHLLOKOSA-N 2 2 256.434 2.498 10 0 CEAELP CC(C)CC[C@](C)(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159536 186361957 /nfs/dbraw/zinc/36/19/57/186361957.db2.gz GSZIBRXUOKTHMW-OAHLLOKOSA-N 2 2 256.434 2.498 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111156278 186362080 /nfs/dbraw/zinc/36/20/80/186362080.db2.gz WQLOOBSXFJJUJP-WFASDCNBSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111156278 186362081 /nfs/dbraw/zinc/36/20/81/186362081.db2.gz WQLOOBSXFJJUJP-WFASDCNBSA-N 2 2 266.385 2.335 10 0 CEAELP CC1CCC(C[NH3+])([N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000111158772 186362398 /nfs/dbraw/zinc/36/23/98/186362398.db2.gz KSSLHBUABFGEMZ-SLTAFYQDSA-N 2 2 254.418 2.252 10 0 CEAELP CC1CCC(C[NH3+])([N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000111158772 186362401 /nfs/dbraw/zinc/36/24/01/186362401.db2.gz KSSLHBUABFGEMZ-SLTAFYQDSA-N 2 2 254.418 2.252 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CC1CCOCC1 ZINC000111155734 186362685 /nfs/dbraw/zinc/36/26/85/186362685.db2.gz XAWOAFSTUMTNPT-HOTGVXAUSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CC1CCOCC1 ZINC000111155734 186362687 /nfs/dbraw/zinc/36/26/87/186362687.db2.gz XAWOAFSTUMTNPT-HOTGVXAUSA-N 2 2 277.412 2.218 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000111116622 186353778 /nfs/dbraw/zinc/35/37/78/186353778.db2.gz UFGCADMISKRJKR-LBPRGKRZSA-N 2 2 256.415 2.415 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(C)s1 ZINC000111116622 186353780 /nfs/dbraw/zinc/35/37/80/186353780.db2.gz UFGCADMISKRJKR-LBPRGKRZSA-N 2 2 256.415 2.415 10 0 CEAELP CCOCC[N@H+](CC)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118081 186354409 /nfs/dbraw/zinc/35/44/09/186354409.db2.gz AQTUJDBNXBGYFE-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)C[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000111118081 186354410 /nfs/dbraw/zinc/35/44/10/186354410.db2.gz AQTUJDBNXBGYFE-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP C[NH+](C)CCC[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000111143643 186358604 /nfs/dbraw/zinc/35/86/04/186358604.db2.gz XRRHFHMUDWHSHF-AWEZNQCLSA-N 2 2 276.380 2.350 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000111143643 186358606 /nfs/dbraw/zinc/35/86/06/186358606.db2.gz XRRHFHMUDWHSHF-AWEZNQCLSA-N 2 2 276.380 2.350 10 0 CEAELP CCCNc1ccc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000111146284 186359194 /nfs/dbraw/zinc/35/91/94/186359194.db2.gz NVCMRZISSJEKAT-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP CCCNc1ccc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000111146284 186359196 /nfs/dbraw/zinc/35/91/96/186359196.db2.gz NVCMRZISSJEKAT-UHFFFAOYSA-N 2 2 264.417 2.287 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154937 186360191 /nfs/dbraw/zinc/36/01/91/186360191.db2.gz MKILUPZQWPGNAL-OBJOEFQTSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154937 186360192 /nfs/dbraw/zinc/36/01/92/186360192.db2.gz MKILUPZQWPGNAL-OBJOEFQTSA-N 2 2 252.358 2.026 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)CC1CCOCC1 ZINC000111175616 186365022 /nfs/dbraw/zinc/36/50/22/186365022.db2.gz ITUXHXZZTOGIMT-HNNXBMFYSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)CC1CCOCC1 ZINC000111175616 186365024 /nfs/dbraw/zinc/36/50/24/186365024.db2.gz ITUXHXZZTOGIMT-HNNXBMFYSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)([NH2+]CCC[NH+]1CCCC1)c1nccs1 ZINC000119968850 186865985 /nfs/dbraw/zinc/86/59/85/186865985.db2.gz FAZZTLJSQYREKQ-UHFFFAOYSA-N 2 2 253.415 2.454 10 0 CEAELP COc1ccc[nH+]c1NCc1ccc2c(c1)C[NH2+]C2 ZINC000097829826 539953263 /nfs/dbraw/zinc/95/32/63/539953263.db2.gz ZTKRKZHRSCLWOP-UHFFFAOYSA-N 2 2 255.321 2.306 10 0 CEAELP CC[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000134949516 366377834 /nfs/dbraw/zinc/37/78/34/366377834.db2.gz WTUASFWWPZQHII-CYBMUJFWSA-N 2 2 288.395 2.110 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000578062606 366436992 /nfs/dbraw/zinc/43/69/92/366436992.db2.gz ADQPLBWDYMJZRL-CABCVRRESA-N 3 2 255.450 2.083 10 0 CEAELP O[C@@H]1CCCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000135610265 366460218 /nfs/dbraw/zinc/46/02/18/366460218.db2.gz LSBWACGUPCQZKK-HZPDHXFCSA-N 2 2 289.423 2.334 10 0 CEAELP COc1ccc(-c2nc(N3CC[NH2+]CC3)c(C)c(C)[nH+]2)cc1 ZINC000006740667 361338751 /nfs/dbraw/zinc/33/87/51/361338751.db2.gz HUJBNNLSEXHJIK-UHFFFAOYSA-N 2 2 298.390 2.179 10 0 CEAELP CC[NH2+][C@@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091380 364337132 /nfs/dbraw/zinc/33/71/32/364337132.db2.gz NCKSHUQDCDWBCF-IRXDYDNUSA-N 2 2 276.424 2.402 10 0 CEAELP CC[NH2+][C@@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095091380 364337151 /nfs/dbraw/zinc/33/71/51/364337151.db2.gz NCKSHUQDCDWBCF-IRXDYDNUSA-N 2 2 276.424 2.402 10 0 CEAELP Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000245593873 370847525 /nfs/dbraw/zinc/84/75/25/370847525.db2.gz LEBZVWGDEZKOBP-RISCZKNCSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc[nH+]1 ZINC000245593873 370847528 /nfs/dbraw/zinc/84/75/28/370847528.db2.gz LEBZVWGDEZKOBP-RISCZKNCSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843408 367585865 /nfs/dbraw/zinc/58/58/65/367585865.db2.gz NGSFEPLNBLMNDT-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000631843408 367585869 /nfs/dbraw/zinc/58/58/69/367585869.db2.gz NGSFEPLNBLMNDT-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000231669253 370485819 /nfs/dbraw/zinc/48/58/19/370485819.db2.gz IJAJAFJUQCWZOU-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000231669253 370485822 /nfs/dbraw/zinc/48/58/22/370485822.db2.gz IJAJAFJUQCWZOU-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP CCN(C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000231670471 370487387 /nfs/dbraw/zinc/48/73/87/370487387.db2.gz GJDMBNZIIVTQQY-OAHLLOKOSA-N 2 2 289.423 2.113 10 0 CEAELP CCN(C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000231670471 370487390 /nfs/dbraw/zinc/48/73/90/370487390.db2.gz GJDMBNZIIVTQQY-OAHLLOKOSA-N 2 2 289.423 2.113 10 0 CEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000247730352 371137672 /nfs/dbraw/zinc/13/76/72/371137672.db2.gz VDJRZHAWDWNGIQ-KBPBESRZSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000247730352 371137673 /nfs/dbraw/zinc/13/76/73/371137673.db2.gz VDJRZHAWDWNGIQ-KBPBESRZSA-N 2 2 270.380 2.003 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](C)OC)C1 ZINC000248433525 371194209 /nfs/dbraw/zinc/19/42/09/371194209.db2.gz QUJJLGVHAQXEFG-STQMWFEESA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](C)OC)C1 ZINC000248433525 371194213 /nfs/dbraw/zinc/19/42/13/371194213.db2.gz QUJJLGVHAQXEFG-STQMWFEESA-N 2 2 251.374 2.117 10 0 CEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248622557 371224825 /nfs/dbraw/zinc/22/48/25/371224825.db2.gz NPCCWJUTKHIROV-VNHYZAJKSA-N 2 2 271.368 2.317 10 0 CEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248622557 371224828 /nfs/dbraw/zinc/22/48/28/371224828.db2.gz NPCCWJUTKHIROV-VNHYZAJKSA-N 2 2 271.368 2.317 10 0 CEAELP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261644323 371689672 /nfs/dbraw/zinc/68/96/72/371689672.db2.gz ANDXWFSJNSNIJT-NORZTCDRSA-N 2 2 296.361 2.072 10 0 CEAELP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261644323 371689677 /nfs/dbraw/zinc/68/96/77/371689677.db2.gz ANDXWFSJNSNIJT-NORZTCDRSA-N 2 2 296.361 2.072 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008062 371796893 /nfs/dbraw/zinc/79/68/93/371796893.db2.gz MBZVZABWUSOAFG-WFASDCNBSA-N 2 2 260.381 2.254 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008062 371796901 /nfs/dbraw/zinc/79/69/01/371796901.db2.gz MBZVZABWUSOAFG-WFASDCNBSA-N 2 2 260.381 2.254 10 0 CEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262005187 371797647 /nfs/dbraw/zinc/79/76/47/371797647.db2.gz UNHGUFLPYOPFPL-HNNXBMFYSA-N 3 2 289.423 2.233 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc2cccnc12 ZINC000262060594 371816092 /nfs/dbraw/zinc/81/60/92/371816092.db2.gz RDIOSZHIZJYGKR-SWLSCSKDSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc2cccnc12 ZINC000262060594 371816099 /nfs/dbraw/zinc/81/60/99/371816099.db2.gz RDIOSZHIZJYGKR-SWLSCSKDSA-N 2 2 255.365 2.322 10 0 CEAELP CCC1CCC([N@H+](Cc2noc(C[NH3+])n2)C2CC2)CC1 ZINC000262302278 371848510 /nfs/dbraw/zinc/84/85/10/371848510.db2.gz XSMDAKQKGYQSBU-UHFFFAOYSA-N 2 2 278.400 2.462 10 0 CEAELP CCC1CCC([N@@H+](Cc2noc(C[NH3+])n2)C2CC2)CC1 ZINC000262302278 371848519 /nfs/dbraw/zinc/84/85/19/371848519.db2.gz XSMDAKQKGYQSBU-UHFFFAOYSA-N 2 2 278.400 2.462 10 0 CEAELP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000643470816 373139408 /nfs/dbraw/zinc/13/94/08/373139408.db2.gz GZUSZHRJWBKXQD-UONOGXRCSA-N 2 2 274.412 2.482 10 0 CEAELP Cc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc[nH+]1 ZINC000328630596 376866842 /nfs/dbraw/zinc/86/68/42/376866842.db2.gz JOYYUHZIVNTZPS-MRXNPFEDSA-N 2 2 297.406 2.138 10 0 CEAELP Cc1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc[nH+]1 ZINC000328630596 376866850 /nfs/dbraw/zinc/86/68/50/376866850.db2.gz JOYYUHZIVNTZPS-MRXNPFEDSA-N 2 2 297.406 2.138 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355625 401492810 /nfs/dbraw/zinc/49/28/10/401492810.db2.gz BNIXYRLFGUFDGH-KBPBESRZSA-N 2 2 264.417 2.413 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355625 401492813 /nfs/dbraw/zinc/49/28/13/401492813.db2.gz BNIXYRLFGUFDGH-KBPBESRZSA-N 2 2 264.417 2.413 10 0 CEAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261607546 153785481 /nfs/dbraw/zinc/78/54/81/153785481.db2.gz AUDKXCOTJVMAPV-CZUORRHYSA-N 2 2 299.422 2.388 10 0 CEAELP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261607546 153785487 /nfs/dbraw/zinc/78/54/87/153785487.db2.gz AUDKXCOTJVMAPV-CZUORRHYSA-N 2 2 299.422 2.388 10 0 CEAELP COc1ccc([C@H](C)[NH+]2CCC([NH3+])CC2)cc1F ZINC000020521551 171235136 /nfs/dbraw/zinc/23/51/36/171235136.db2.gz ILNGTVKXKLFGHT-JTQLQIEISA-N 2 2 252.333 2.318 10 0 CEAELP COc1cc([C@H](C[NH3+])[N@H+](C)C(C)C)cc(OC)c1OC ZINC000022172339 171368815 /nfs/dbraw/zinc/36/88/15/171368815.db2.gz PQIKWFFDPULFSR-LBPRGKRZSA-N 2 2 282.384 2.052 10 0 CEAELP COc1cc([C@H](C[NH3+])[N@@H+](C)C(C)C)cc(OC)c1OC ZINC000022172339 171368816 /nfs/dbraw/zinc/36/88/16/171368816.db2.gz PQIKWFFDPULFSR-LBPRGKRZSA-N 2 2 282.384 2.052 10 0 CEAELP CC[NH2+]C1CC[NH+](CCc2ccccc2F)CC1 ZINC000037241255 173057742 /nfs/dbraw/zinc/05/77/42/173057742.db2.gz GTSHAULZCMEEQR-UHFFFAOYSA-N 2 2 250.361 2.442 10 0 CEAELP C[N@H+]([C@H](C[NH3+])c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363760 173152668 /nfs/dbraw/zinc/15/26/68/173152668.db2.gz UKXZDEVUBKKNQI-OAHLLOKOSA-N 2 2 260.381 2.496 10 0 CEAELP C[N@@H+]([C@H](C[NH3+])c1ccc2c(c1)CCO2)C1CCCC1 ZINC000037363760 173152669 /nfs/dbraw/zinc/15/26/69/173152669.db2.gz UKXZDEVUBKKNQI-OAHLLOKOSA-N 2 2 260.381 2.496 10 0 CEAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000039174830 174165004 /nfs/dbraw/zinc/16/50/04/174165004.db2.gz PUHNVNHYGXSXBN-CYBMUJFWSA-N 2 2 262.353 2.147 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)[C@H]2CCSC2)[nH+]1 ZINC000040509427 174303575 /nfs/dbraw/zinc/30/35/75/174303575.db2.gz DDVBLPKUNTVBEQ-NSHDSACASA-N 2 2 251.399 2.099 10 0 CEAELP Cc1nc(C2([NH2+]C(C)C)CC[NH2+]CC2)sc1C ZINC000041196737 174509319 /nfs/dbraw/zinc/50/93/19/174509319.db2.gz XVWNQPSRUUBQOX-UHFFFAOYSA-N 2 2 253.415 2.337 10 0 CEAELP Cc1[nH]c(CN[C@H](C[NH+](C)C)c2ccccc2)[nH+]c1C ZINC000657298921 414842169 /nfs/dbraw/zinc/84/21/69/414842169.db2.gz YDDIXSWVNVAXCD-OAHLLOKOSA-N 2 2 272.396 2.419 10 0 CEAELP [NH3+]C[C@]12CCC[C@H]1CN(c1[nH]c3ccccc3[nH+]1)C2 ZINC000311442334 414861154 /nfs/dbraw/zinc/86/11/54/414861154.db2.gz GUTLOOMTXYEDII-NHYWBVRUSA-N 2 2 256.353 2.128 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972844 174936684 /nfs/dbraw/zinc/93/66/84/174936684.db2.gz QSUDFYYNUHVRDI-CZUORRHYSA-N 2 2 298.402 2.199 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972844 174936685 /nfs/dbraw/zinc/93/66/85/174936685.db2.gz QSUDFYYNUHVRDI-CZUORRHYSA-N 2 2 298.402 2.199 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335489 175011262 /nfs/dbraw/zinc/01/12/62/175011262.db2.gz DOOSJNDQYWAEFC-SMDDNHRTSA-N 2 2 252.358 2.169 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336127 175011688 /nfs/dbraw/zinc/01/16/88/175011688.db2.gz ZDKSGFBEDYKNDM-BXUZGUMPSA-N 2 2 254.374 2.151 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336127 175011689 /nfs/dbraw/zinc/01/16/89/175011689.db2.gz ZDKSGFBEDYKNDM-BXUZGUMPSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CC)[C@@H](C)COC ZINC000043336291 175011747 /nfs/dbraw/zinc/01/17/47/175011747.db2.gz NJECBXIMMJSFLS-OBJOEFQTSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CC)[C@@H](C)COC ZINC000043336291 175011748 /nfs/dbraw/zinc/01/17/48/175011748.db2.gz NJECBXIMMJSFLS-OBJOEFQTSA-N 2 2 254.374 2.415 10 0 CEAELP CCOC1CC[NH+]([C@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043347178 175017749 /nfs/dbraw/zinc/01/77/49/175017749.db2.gz BPDINRYHXPKBGC-HZPDHXFCSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043353370 175021035 /nfs/dbraw/zinc/02/10/35/175021035.db2.gz OFTGXNZPFPXGCQ-MCIONIFRSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043353370 175021036 /nfs/dbraw/zinc/02/10/36/175021036.db2.gz OFTGXNZPFPXGCQ-MCIONIFRSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354618 175022384 /nfs/dbraw/zinc/02/23/84/175022384.db2.gz PAROMTZHMJTHDS-SJORKVTESA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354618 175022385 /nfs/dbraw/zinc/02/23/85/175022385.db2.gz PAROMTZHMJTHDS-SJORKVTESA-N 2 2 291.439 2.487 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394432 175035039 /nfs/dbraw/zinc/03/50/39/175035039.db2.gz CBNPXLAMTDSKLL-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])c1cc(C)cc(C)c1)C1CC1 ZINC000043394432 175035040 /nfs/dbraw/zinc/03/50/40/175035040.db2.gz CBNPXLAMTDSKLL-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815016 175111746 /nfs/dbraw/zinc/11/17/46/175111746.db2.gz KYALIEXRPOKIDZ-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815016 175111747 /nfs/dbraw/zinc/11/17/47/175111747.db2.gz KYALIEXRPOKIDZ-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819096 175113956 /nfs/dbraw/zinc/11/39/56/175113956.db2.gz SHVIBJNRFAVOOP-GJZGRUSLSA-N 2 2 282.428 2.136 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOC[C@@H]1CC ZINC000043899144 175121870 /nfs/dbraw/zinc/12/18/70/175121870.db2.gz ARJIPBVZKXGMLJ-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOC[C@@H]1CC ZINC000043899144 175121871 /nfs/dbraw/zinc/12/18/71/175121871.db2.gz ARJIPBVZKXGMLJ-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@H+](C)CCOC ZINC000043915170 175124198 /nfs/dbraw/zinc/12/41/98/175124198.db2.gz BVURQTZWDDYPRS-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)CCOC ZINC000043915170 175124199 /nfs/dbraw/zinc/12/41/99/175124199.db2.gz BVURQTZWDDYPRS-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@H+](C)CCOC)cc1 ZINC000043915616 175125288 /nfs/dbraw/zinc/12/52/88/175125288.db2.gz FYFUWXUQQLRHSK-CZUORRHYSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@@H](C)[N@@H+](C)CCOC)cc1 ZINC000043915616 175125289 /nfs/dbraw/zinc/12/52/89/175125289.db2.gz FYFUWXUQQLRHSK-CZUORRHYSA-N 2 2 264.413 2.476 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+]2CCOCC2(C)C)C1 ZINC000043916655 175125873 /nfs/dbraw/zinc/12/58/73/175125873.db2.gz FGHBBXMHXXUNAZ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+]2CCOCC2(C)C)C1 ZINC000043916655 175125875 /nfs/dbraw/zinc/12/58/75/175125875.db2.gz FGHBBXMHXXUNAZ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916945 175125900 /nfs/dbraw/zinc/12/59/00/175125900.db2.gz JMPMZWVBERGFMW-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916945 175125901 /nfs/dbraw/zinc/12/59/01/175125901.db2.gz JMPMZWVBERGFMW-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)CC1CCCCC1 ZINC000043968285 175129948 /nfs/dbraw/zinc/12/99/48/175129948.db2.gz BLOUQTBJRFTCFU-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968285 175129949 /nfs/dbraw/zinc/12/99/49/175129949.db2.gz BLOUQTBJRFTCFU-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP Nc1ccc2c(c1)C[N@@H+](CCCCn1cc[nH+]c1)C2 ZINC000045109246 175309596 /nfs/dbraw/zinc/30/95/96/175309596.db2.gz OTIHOHCIDWKYEZ-UHFFFAOYSA-N 2 2 256.353 2.261 10 0 CEAELP Nc1ccc2c(c1)C[N@H+](CCCCn1cc[nH+]c1)C2 ZINC000045109246 175309597 /nfs/dbraw/zinc/30/95/97/175309597.db2.gz OTIHOHCIDWKYEZ-UHFFFAOYSA-N 2 2 256.353 2.261 10 0 CEAELP CC(C)c1ccc([C@@H](O)C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000045134408 175313129 /nfs/dbraw/zinc/31/31/29/175313129.db2.gz OYORAUINSDCYOK-INIZCTEOSA-N 2 2 287.407 2.409 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OCC ZINC000045374972 175365682 /nfs/dbraw/zinc/36/56/82/175365682.db2.gz WUJXLZSSIRUYHM-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+](CC)CC)[NH2+]C1CC1 ZINC000045375953 175366145 /nfs/dbraw/zinc/36/61/45/175366145.db2.gz DZTOQNLOROKLDK-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCCCC1)[NH2+]C ZINC000045377521 175367076 /nfs/dbraw/zinc/36/70/76/175367076.db2.gz JVHFCBXISQKVTN-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379917 175369354 /nfs/dbraw/zinc/36/93/54/175369354.db2.gz VYKMAAJIIYVOFN-OAHLLOKOSA-N 2 2 264.369 2.184 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH3+])C(=O)OC)c1ccccc1 ZINC000045379917 175369355 /nfs/dbraw/zinc/36/93/55/175369355.db2.gz VYKMAAJIIYVOFN-OAHLLOKOSA-N 2 2 264.369 2.184 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045386437 175373065 /nfs/dbraw/zinc/37/30/65/175373065.db2.gz VAGMHVNWZRUYTA-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C1CC1 ZINC000045386437 175373066 /nfs/dbraw/zinc/37/30/66/175373066.db2.gz VAGMHVNWZRUYTA-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419933 175378189 /nfs/dbraw/zinc/37/81/89/175378189.db2.gz CTSRQLQUDMITEZ-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419933 175378191 /nfs/dbraw/zinc/37/81/91/175378191.db2.gz CTSRQLQUDMITEZ-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000071161615 176046093 /nfs/dbraw/zinc/04/60/93/176046093.db2.gz QARDMHJSRKAIKG-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000071161853 176046127 /nfs/dbraw/zinc/04/61/27/176046127.db2.gz VMKXXHDUVCEEBP-LSDHHAIUSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000071161853 176046130 /nfs/dbraw/zinc/04/61/30/176046130.db2.gz VMKXXHDUVCEEBP-LSDHHAIUSA-N 2 2 264.417 2.150 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191379 176069409 /nfs/dbraw/zinc/06/94/09/176069409.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191379 176069411 /nfs/dbraw/zinc/06/94/11/176069411.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191379 176069413 /nfs/dbraw/zinc/06/94/13/176069413.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191379 176069414 /nfs/dbraw/zinc/06/94/14/176069414.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+]CC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191436 176070725 /nfs/dbraw/zinc/07/07/25/176070725.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191436 176070727 /nfs/dbraw/zinc/07/07/27/176070727.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CCC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191436 176070729 /nfs/dbraw/zinc/07/07/29/176070729.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CCC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191436 176070731 /nfs/dbraw/zinc/07/07/31/176070731.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192071 176073872 /nfs/dbraw/zinc/07/38/72/176073872.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192071 176073873 /nfs/dbraw/zinc/07/38/73/176073873.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192071 176073875 /nfs/dbraw/zinc/07/38/75/176073875.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192071 176073876 /nfs/dbraw/zinc/07/38/76/176073876.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199351 176077234 /nfs/dbraw/zinc/07/72/34/176077234.db2.gz VVNMGPQAXVDVNB-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199351 176077235 /nfs/dbraw/zinc/07/72/35/176077235.db2.gz VVNMGPQAXVDVNB-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+][C@@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000071198468 176077269 /nfs/dbraw/zinc/07/72/69/176077269.db2.gz OBWZRVDVNGMORM-OAHLLOKOSA-N 2 2 261.413 2.197 10 0 CEAELP CC[NH2+][C@@H]1CC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000071198468 176077271 /nfs/dbraw/zinc/07/72/71/176077271.db2.gz OBWZRVDVNGMORM-OAHLLOKOSA-N 2 2 261.413 2.197 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2nccn2C)C1 ZINC000071273170 176105284 /nfs/dbraw/zinc/10/52/84/176105284.db2.gz ZOEUKKRPKFRDGC-KGLIPLIRSA-N 2 2 264.417 2.020 10 0 CEAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]Cc2nccn2C)C1 ZINC000071273170 176105285 /nfs/dbraw/zinc/10/52/85/176105285.db2.gz ZOEUKKRPKFRDGC-KGLIPLIRSA-N 2 2 264.417 2.020 10 0 CEAELP Cn1cc[nH+]c1Cn1c(N)[nH+]c2cccc(Cl)c21 ZINC000071274547 176106028 /nfs/dbraw/zinc/10/60/28/176106028.db2.gz XXLBVTKWQZPZAS-UHFFFAOYSA-N 2 2 261.716 2.054 10 0 CEAELP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@@H]1CC(C)C ZINC000071342720 176130226 /nfs/dbraw/zinc/13/02/26/176130226.db2.gz BMHQAZALJHXTFC-HNNXBMFYSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000071342720 176130227 /nfs/dbraw/zinc/13/02/27/176130227.db2.gz BMHQAZALJHXTFC-HNNXBMFYSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)NC[C@@H]1CC(C)C ZINC000071342720 176130228 /nfs/dbraw/zinc/13/02/28/176130228.db2.gz BMHQAZALJHXTFC-HNNXBMFYSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CCN1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000071358500 176137319 /nfs/dbraw/zinc/13/73/19/176137319.db2.gz GPCKNSGQDNSXCR-MRXNPFEDSA-N 2 2 290.455 2.434 10 0 CEAELP CCOc1ccc(C[C@@H]([NH3+])C[NH+]2CCCCC2)cc1 ZINC000071589197 176217425 /nfs/dbraw/zinc/21/74/25/176217425.db2.gz RIPZXHSYLAICNV-OAHLLOKOSA-N 2 2 262.397 2.441 10 0 CEAELP COc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1Cl ZINC000076659173 177047501 /nfs/dbraw/zinc/04/75/01/177047501.db2.gz TYWJFOKCKDBGRF-UHFFFAOYSA-N 2 2 254.761 2.272 10 0 CEAELP COc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1Cl ZINC000076659173 177047502 /nfs/dbraw/zinc/04/75/02/177047502.db2.gz TYWJFOKCKDBGRF-UHFFFAOYSA-N 2 2 254.761 2.272 10 0 CEAELP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000134120822 280013855 /nfs/dbraw/zinc/01/38/55/280013855.db2.gz QBUBRQPMWNHFNM-OFQRWUPVSA-N 2 2 262.397 2.413 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1C ZINC000154616844 280092780 /nfs/dbraw/zinc/09/27/80/280092780.db2.gz WMLPPNAYBXHVSK-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1C ZINC000154616844 280092785 /nfs/dbraw/zinc/09/27/85/280092785.db2.gz WMLPPNAYBXHVSK-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP Cc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000564987693 298866710 /nfs/dbraw/zinc/86/67/10/298866710.db2.gz FZKXBHVSKLJKML-LLVKDONJSA-N 2 2 269.186 2.209 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061271106 520069824 /nfs/dbraw/zinc/06/98/24/520069824.db2.gz AWXHBSXUOWFWIY-VIFPVBQESA-N 2 2 260.341 2.198 10 0 CEAELP CCNc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000052720866 520271853 /nfs/dbraw/zinc/27/18/53/520271853.db2.gz QSRGMGOEZFVIHJ-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068802812 522026886 /nfs/dbraw/zinc/02/68/86/522026886.db2.gz PGYASLLMAPYXOZ-QLFBSQMISA-N 2 2 255.450 2.037 10 0 CEAELP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068802812 522026894 /nfs/dbraw/zinc/02/68/94/522026894.db2.gz PGYASLLMAPYXOZ-QLFBSQMISA-N 2 2 255.450 2.037 10 0 CEAELP C[NH2+]C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371711 522072454 /nfs/dbraw/zinc/07/24/54/522072454.db2.gz BCQOIKJPFOFKDC-JTQLQIEISA-N 2 2 271.202 2.489 10 0 CEAELP C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371711 522072465 /nfs/dbraw/zinc/07/24/65/522072465.db2.gz BCQOIKJPFOFKDC-JTQLQIEISA-N 2 2 271.202 2.489 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@@H+]2CCOCC2(C)C)on1 ZINC000052546118 518764430 /nfs/dbraw/zinc/76/44/30/518764430.db2.gz BZZNKDPHXJRXML-UHFFFAOYSA-N 2 2 281.400 2.174 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@H+]2CCOCC2(C)C)on1 ZINC000052546118 518764435 /nfs/dbraw/zinc/76/44/35/518764435.db2.gz BZZNKDPHXJRXML-UHFFFAOYSA-N 2 2 281.400 2.174 10 0 CEAELP CC(C)(C)[NH2+]Cc1ccccc1C[NH+]1CCS(=O)CC1 ZINC000052516512 518765817 /nfs/dbraw/zinc/76/58/17/518765817.db2.gz FMMNIQHHHZAKBE-UHFFFAOYSA-N 2 2 294.464 2.139 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC[NH+](CC)C1 ZINC000054628297 519908389 /nfs/dbraw/zinc/90/83/89/519908389.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH+](CC)C1 ZINC000054628297 519908391 /nfs/dbraw/zinc/90/83/91/519908391.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@H+](CC)C1 ZINC000054628297 519908394 /nfs/dbraw/zinc/90/83/94/519908394.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC[N@@H+](CC)C1 ZINC000054628297 519908395 /nfs/dbraw/zinc/90/83/95/519908395.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182841 519910626 /nfs/dbraw/zinc/91/06/26/519910626.db2.gz GETYWJDINXIGPU-HOTGVXAUSA-N 2 2 296.455 2.036 10 0 CEAELP CCC[NH2+]CC1(C[N@H+]2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182841 519910630 /nfs/dbraw/zinc/91/06/30/519910630.db2.gz GETYWJDINXIGPU-HOTGVXAUSA-N 2 2 296.455 2.036 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000052381009 520026647 /nfs/dbraw/zinc/02/66/47/520026647.db2.gz WVQSFBCRVCCIKH-CHWSQXEVSA-N 2 2 266.385 2.307 10 0 CEAELP CCC[NH2+][C@H](C[NH+]1CCC(OCC)CC1)C1CC1 ZINC000069074008 520083475 /nfs/dbraw/zinc/08/34/75/520083475.db2.gz XUPIDDQCTXOIFW-OAHLLOKOSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@@](C)(CCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912269 520132579 /nfs/dbraw/zinc/13/25/79/520132579.db2.gz JTGBWSQBPVAMBT-KRWDZBQOSA-N 2 2 290.407 2.324 10 0 CEAELP CC[NH2+][C@](C)(C[C@H](C)n1c(C)[nH+]c2ccccc21)C(N)=O ZINC000068648778 520242511 /nfs/dbraw/zinc/24/25/11/520242511.db2.gz NTRIBPMURVQKRN-MEDUHNTESA-N 2 2 288.395 2.149 10 0 CEAELP CCN(CC)CC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000053524234 520687356 /nfs/dbraw/zinc/68/73/56/520687356.db2.gz HNIUJWSUAOWPIZ-UHFFFAOYSA-N 2 2 274.412 2.276 10 0 CEAELP CCC[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C2CC2)C[NH2+]1 ZINC000068700982 520838716 /nfs/dbraw/zinc/83/87/16/520838716.db2.gz GNEJADMXFLWTPC-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068802804 522021150 /nfs/dbraw/zinc/02/11/50/522021150.db2.gz PGYASLLMAPYXOZ-RBSFLKMASA-N 2 2 255.450 2.037 10 0 CEAELP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068802804 522021156 /nfs/dbraw/zinc/02/11/56/522021156.db2.gz PGYASLLMAPYXOZ-RBSFLKMASA-N 2 2 255.450 2.037 10 0 CEAELP C[NH2+]Cc1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000052503859 522116459 /nfs/dbraw/zinc/11/64/59/522116459.db2.gz VDPMPWSZRUSASC-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP C[NH2+]Cc1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000052503859 522116469 /nfs/dbraw/zinc/11/64/69/522116469.db2.gz VDPMPWSZRUSASC-UHFFFAOYSA-N 2 2 261.394 2.495 10 0 CEAELP CCc1nc(N2CCC(C[NH3+])CC2)cc(C(C)C)[nH+]1 ZINC000045954894 522177949 /nfs/dbraw/zinc/17/79/49/522177949.db2.gz WEFYGFRARWKXRW-UHFFFAOYSA-N 2 2 262.401 2.338 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@@](C)([NH3+])C(=O)OC ZINC000068650189 522506915 /nfs/dbraw/zinc/50/69/15/522506915.db2.gz CZMRLHYUDHQVNW-BDJLRTHQSA-N 2 2 289.379 2.440 10 0 CEAELP CCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000068649455 522591821 /nfs/dbraw/zinc/59/18/21/522591821.db2.gz FKFPPXUNMRVVNL-NHYWBVRUSA-N 2 2 279.384 2.080 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCOCCC(C)C ZINC000062803176 522646628 /nfs/dbraw/zinc/64/66/28/522646628.db2.gz AWHXYJQEGCEROK-CYBMUJFWSA-N 2 2 253.390 2.226 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2cc(C)ccc2C)CC1 ZINC000049670432 522706612 /nfs/dbraw/zinc/70/66/12/522706612.db2.gz IUDDJNLXRWGLAQ-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP C[N@H+](Cc1ccccc1C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000052419939 523358903 /nfs/dbraw/zinc/35/89/03/523358903.db2.gz SAXKXWNCINYCET-UHFFFAOYSA-N 3 2 287.451 2.465 10 0 CEAELP C[N@@H+](Cc1ccccc1C[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000052419939 523358912 /nfs/dbraw/zinc/35/89/12/523358912.db2.gz SAXKXWNCINYCET-UHFFFAOYSA-N 3 2 287.451 2.465 10 0 CEAELP C[N@H+](Cc1ccncc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624648 523463233 /nfs/dbraw/zinc/46/32/33/523463233.db2.gz FODOTEQHJULGCI-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1ccncc1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624648 523463241 /nfs/dbraw/zinc/46/32/41/523463241.db2.gz FODOTEQHJULGCI-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@H+](Cc1ccncc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624646 523465382 /nfs/dbraw/zinc/46/53/82/523465382.db2.gz FODOTEQHJULGCI-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1ccncc1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624646 523465388 /nfs/dbraw/zinc/46/53/88/523465388.db2.gz FODOTEQHJULGCI-KRWDZBQOSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@H+]([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710103 523622511 /nfs/dbraw/zinc/62/25/11/523622511.db2.gz PAKRJQHDOLRIBY-ZDUSSCGKSA-N 2 2 288.313 2.215 10 0 CEAELP C[N@@H+]([C@@H](C[NH3+])c1cc(F)c(F)c(F)c1)C1CCOCC1 ZINC000062710103 523622520 /nfs/dbraw/zinc/62/25/20/523622520.db2.gz PAKRJQHDOLRIBY-ZDUSSCGKSA-N 2 2 288.313 2.215 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600873 524045868 /nfs/dbraw/zinc/04/58/68/524045868.db2.gz KNPMUVGOKMIQPB-BETUJISGSA-N 2 2 252.402 2.160 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054600873 524045871 /nfs/dbraw/zinc/04/58/71/524045871.db2.gz KNPMUVGOKMIQPB-BETUJISGSA-N 2 2 252.402 2.160 10 0 CEAELP COc1cccc([C@H]2[C@H](C[NH2+]C3CC3)CC[N@@H+]2C)c1OC ZINC000070282102 524188874 /nfs/dbraw/zinc/18/88/74/524188874.db2.gz KALRCBFNOSXFBS-BLLLJJGKSA-N 2 2 290.407 2.449 10 0 CEAELP COc1cccc([C@H]2[C@H](C[NH2+]C3CC3)CC[N@H+]2C)c1OC ZINC000070282102 524188875 /nfs/dbraw/zinc/18/88/75/524188875.db2.gz KALRCBFNOSXFBS-BLLLJJGKSA-N 2 2 290.407 2.449 10 0 CEAELP C[C@H]1C[NH+](Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@H](C)O1 ZINC000052380498 524610907 /nfs/dbraw/zinc/61/09/07/524610907.db2.gz BYAJFUBJUHECMX-RYUDHWBXSA-N 2 2 281.400 2.172 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757578 524854806 /nfs/dbraw/zinc/85/48/06/524854806.db2.gz ORSXLDSZVIORON-WOSRLPQWSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757578 524854815 /nfs/dbraw/zinc/85/48/15/524854815.db2.gz ORSXLDSZVIORON-WOSRLPQWSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1csc(C[NH2+]C[C@H]([NH3+])Cc2ccccc2)n1 ZINC000049539106 526356530 /nfs/dbraw/zinc/35/65/30/526356530.db2.gz ZDBISXDYNLPQCX-CYBMUJFWSA-N 2 2 261.394 2.111 10 0 CEAELP c1c(CN2CC[NH2+]CC23CCCCC3)[nH+]c2ccccn12 ZINC000068696401 526397439 /nfs/dbraw/zinc/39/74/39/526397439.db2.gz TUJLHQAXSZRDEA-UHFFFAOYSA-N 2 2 284.407 2.442 10 0 CEAELP c1cc2cnccc2c(C[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000061124876 526450313 /nfs/dbraw/zinc/45/03/13/526450313.db2.gz IZYWQQHZXUEGCM-QGZVFWFLSA-N 2 2 267.376 2.419 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@H]2c2ccncc2)cc[nH+]1 ZINC000061811583 527249256 /nfs/dbraw/zinc/24/92/56/527249256.db2.gz SWVGBJLRQZCKPW-HNNXBMFYSA-N 2 2 254.337 2.277 10 0 CEAELP Cc1[nH+]cn(-c2nc3c(cc2C[NH3+])CCCC3)c1C ZINC000051925537 527461707 /nfs/dbraw/zinc/46/17/07/527461707.db2.gz PQSXFEQWVJVKSL-UHFFFAOYSA-N 2 2 256.353 2.222 10 0 CEAELP Cc1nn(C)c2sc([C@@H]3[NH2+][C@@H](C)CC[C@@H]3[NH3+])cc12 ZINC000757215984 574513171 /nfs/dbraw/zinc/51/31/71/574513171.db2.gz ORLSVWDDLPEBGU-VIRWGQHYSA-N 2 2 264.398 2.084 10 0 CEAELP CCC[C@@H](C)C[NH+]1CCC(n2cc(C[NH+](C)C)nn2)CC1 ZINC000055088943 639340651 /nfs/dbraw/zinc/34/06/51/639340651.db2.gz RDYTUHYHLNWQID-CQSZACIVSA-N 2 2 293.459 2.413 10 0 CEAELP Cc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)cc[nH+]1 ZINC000210948592 651442695 /nfs/dbraw/zinc/44/26/95/651442695.db2.gz BZRSDWRMZYUAPF-AWEZNQCLSA-N 2 2 254.337 2.084 10 0 CEAELP Fc1ccc(Br)cc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097015147 185152286 /nfs/dbraw/zinc/15/22/86/185152286.db2.gz CDCWZKIRNKXHTC-UHFFFAOYSA-N 2 2 296.143 2.461 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+](C)C ZINC000043020101 362133984 /nfs/dbraw/zinc/13/39/84/362133984.db2.gz CHCRBTGMIAWACB-KCJUWKMLSA-N 2 2 257.175 2.399 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1cccc(Br)c1 ZINC000049596418 362372074 /nfs/dbraw/zinc/37/20/74/362372074.db2.gz UMIACLKKFRSCJN-LBPRGKRZSA-N 2 2 299.212 2.251 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1cccc(Br)c1 ZINC000049596418 362372078 /nfs/dbraw/zinc/37/20/78/362372078.db2.gz UMIACLKKFRSCJN-LBPRGKRZSA-N 2 2 299.212 2.251 10 0 CEAELP C[C@]1([NH2+]Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000230745062 344573256 /nfs/dbraw/zinc/57/32/56/344573256.db2.gz UYJTZGXUOYWFFD-JTQLQIEISA-N 2 2 275.215 2.352 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774819 344984757 /nfs/dbraw/zinc/98/47/57/344984757.db2.gz OWAXBTUGCHNNAW-JYJNAYRXSA-N 3 2 267.461 2.085 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@@](C)(O)C[NH3+] ZINC000085304540 179012108 /nfs/dbraw/zinc/01/21/08/179012108.db2.gz KDSXEKGFWZTMEV-IAQYHMDHSA-N 2 2 261.369 2.260 10 0 CEAELP COc1cc2[nH]c([C@H]3CCC[C@H]3[NH3+])[nH+]c2cc1OC ZINC000085321820 179015303 /nfs/dbraw/zinc/01/53/03/179015303.db2.gz 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/nfs/dbraw/zinc/11/39/13/179113913.db2.gz HSEFVRZUWGLDSB-CABCVRRESA-N 2 2 266.429 2.408 10 0 CEAELP CC[NH2+][C@H](CCO)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000085923315 179201216 /nfs/dbraw/zinc/20/12/16/179201216.db2.gz WFDKDRVEVWYOGU-CYBMUJFWSA-N 2 2 261.369 2.014 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218824 179251264 /nfs/dbraw/zinc/25/12/64/179251264.db2.gz JOTITVBWUOLDKB-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C1CCOCC1 ZINC000086218824 179251267 /nfs/dbraw/zinc/25/12/67/179251267.db2.gz JOTITVBWUOLDKB-CYBMUJFWSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC[C@@H]1CCCO1 ZINC000086258889 179257004 /nfs/dbraw/zinc/25/70/04/179257004.db2.gz SKXBMGFMPIKRSC-KGLIPLIRSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC[C@@H]1CCCO1 ZINC000086258889 179257007 /nfs/dbraw/zinc/25/70/07/179257007.db2.gz SKXBMGFMPIKRSC-KGLIPLIRSA-N 2 2 252.402 2.162 10 0 CEAELP C[N@H+](CCc1cccs1)[C@@]1(C[NH3+])CCSC1 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CCC[N@@H+]1CCO[C@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654743 179316406 /nfs/dbraw/zinc/31/64/06/179316406.db2.gz YXYSMUCYHHCKTE-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP CCC[N@H+]1CCO[C@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654743 179316407 /nfs/dbraw/zinc/31/64/07/179316407.db2.gz YXYSMUCYHHCKTE-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP COCC[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833787 179349771 /nfs/dbraw/zinc/34/97/71/179349771.db2.gz RNEBFFZCNXHMBC-OAHLLOKOSA-N 2 2 297.468 2.307 10 0 CEAELP COCC[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833787 179349773 /nfs/dbraw/zinc/34/97/73/179349773.db2.gz RNEBFFZCNXHMBC-OAHLLOKOSA-N 2 2 297.468 2.307 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835825 179350051 /nfs/dbraw/zinc/35/00/51/179350051.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 3 2 267.461 2.323 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835825 179350052 /nfs/dbraw/zinc/35/00/52/179350052.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835825 179350053 /nfs/dbraw/zinc/35/00/53/179350053.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835825 179350054 /nfs/dbraw/zinc/35/00/54/179350054.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)CC1 ZINC000086843788 179352640 /nfs/dbraw/zinc/35/26/40/179352640.db2.gz OIIMIDFXWWIXGB-LSDHHAIUSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)CC1 ZINC000086843788 179352641 /nfs/dbraw/zinc/35/26/41/179352641.db2.gz OIIMIDFXWWIXGB-LSDHHAIUSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[N@@H+]1CCC[C@@]([NH2+]C)(c2nccs2)CC1 ZINC000086851380 179359711 /nfs/dbraw/zinc/35/97/11/179359711.db2.gz WQAKQHXQUQTIPS-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CCC[N@H+]1CCC[C@@]([NH2+]C)(c2nccs2)CC1 ZINC000086851380 179359713 /nfs/dbraw/zinc/35/97/13/179359713.db2.gz WQAKQHXQUQTIPS-ZDUSSCGKSA-N 2 2 253.415 2.454 10 0 CEAELP CC(C)(C)[C@H]1CCC[C@](C(N)=O)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086959773 179368929 /nfs/dbraw/zinc/36/89/29/179368929.db2.gz MMCSKCYXFJALDN-YOEHRIQHSA-N 2 2 295.471 2.132 10 0 CEAELP CC(C)(C)[C@H]1CCC[C@](C(N)=O)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086959773 179368930 /nfs/dbraw/zinc/36/89/30/179368930.db2.gz MMCSKCYXFJALDN-YOEHRIQHSA-N 2 2 295.471 2.132 10 0 CEAELP CC1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000087045231 179388219 /nfs/dbraw/zinc/38/82/19/179388219.db2.gz AGIOGDNGPUNOGI-SLTAFYQDSA-N 2 2 254.418 2.002 10 0 CEAELP CC1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000087045231 179388220 /nfs/dbraw/zinc/38/82/20/179388220.db2.gz AGIOGDNGPUNOGI-SLTAFYQDSA-N 2 2 254.418 2.002 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCC[N@H+](CC[NH3+])CC2)c1 ZINC000616629530 348540125 /nfs/dbraw/zinc/54/01/25/348540125.db2.gz RLZZUXNYRJCYMH-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)c1 ZINC000616629530 348540127 /nfs/dbraw/zinc/54/01/27/348540127.db2.gz RLZZUXNYRJCYMH-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)cc1 ZINC000616601367 348531439 /nfs/dbraw/zinc/53/14/39/348531439.db2.gz OJIINRQVRWWKQA-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)cc1 ZINC000616601367 348531443 /nfs/dbraw/zinc/53/14/43/348531443.db2.gz OJIINRQVRWWKQA-CQSZACIVSA-N 2 2 290.407 2.392 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000616608876 348533433 /nfs/dbraw/zinc/53/34/33/348533433.db2.gz FUZLISAUWAFKIL-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922700 187398893 /nfs/dbraw/zinc/39/88/93/187398893.db2.gz STOMTOODRCHJHU-LSDHHAIUSA-N 3 2 255.450 2.085 10 0 CEAELP Nc1ccccc1[C@@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616678635 348558124 /nfs/dbraw/zinc/55/81/24/348558124.db2.gz KLRQSSFJZAALHC-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1ccccc1[C@@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616678635 348558127 /nfs/dbraw/zinc/55/81/27/348558127.db2.gz KLRQSSFJZAALHC-KRWDZBQOSA-N 2 2 267.376 2.175 10 0 CEAELP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000248881802 539654025 /nfs/dbraw/zinc/65/40/25/539654025.db2.gz POMQYYPDZYOEBI-INIZCTEOSA-N 2 2 299.422 2.399 10 0 CEAELP CCN(C)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000248881802 539654028 /nfs/dbraw/zinc/65/40/28/539654028.db2.gz POMQYYPDZYOEBI-INIZCTEOSA-N 2 2 299.422 2.399 10 0 CEAELP CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](Cc2cc(C)nn2CC)C1 ZINC000089180602 179744514 /nfs/dbraw/zinc/74/45/14/179744514.db2.gz ANMAKXYCUSWCQL-GJZGRUSLSA-N 2 2 278.444 2.421 10 0 CEAELP CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](Cc2cc(C)nn2CC)C1 ZINC000089180602 179744516 /nfs/dbraw/zinc/74/45/16/179744516.db2.gz ANMAKXYCUSWCQL-GJZGRUSLSA-N 2 2 278.444 2.421 10 0 CEAELP CCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C(C)C ZINC000090209273 179933861 /nfs/dbraw/zinc/93/38/61/179933861.db2.gz FFCVYNNSKKUVJU-WFASDCNBSA-N 2 2 278.400 2.255 10 0 CEAELP CCC[NH2+]C1CC[NH+](CCc2cscn2)CC1 ZINC000104441260 186003131 /nfs/dbraw/zinc/00/31/31/186003131.db2.gz XWOHEOFFPJBSCD-UHFFFAOYSA-N 2 2 253.415 2.150 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)C[NH+]1CCCC1)O2 ZINC000090897622 180057336 /nfs/dbraw/zinc/05/73/36/180057336.db2.gz STMFCZJGWWKMKK-GOEBONIOSA-N 2 2 274.408 2.372 10 0 CEAELP CC(C)(C[NH2+]C(C)(C)C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907587 180061855 /nfs/dbraw/zinc/06/18/55/180061855.db2.gz IZWHQNDUEPZHCN-BETUJISGSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)(C[NH2+]C(C)(C)C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907587 180061856 /nfs/dbraw/zinc/06/18/56/180061856.db2.gz IZWHQNDUEPZHCN-BETUJISGSA-N 2 2 254.418 2.264 10 0 CEAELP [NH3+]Cc1cn(CCCn2cc[nH+]c2)c2ccccc12 ZINC000090995060 180082579 /nfs/dbraw/zinc/08/25/79/180082579.db2.gz DTKYXXZNJFEKCO-UHFFFAOYSA-N 2 2 254.337 2.387 10 0 CEAELP CCC[NH2+]Cc1cn(CCn2cc[nH+]c2)c2ncccc12 ZINC000091020317 180088274 /nfs/dbraw/zinc/08/82/74/180088274.db2.gz DZULGBDHHOHPAQ-UHFFFAOYSA-N 2 2 283.379 2.433 10 0 CEAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320829 180133561 /nfs/dbraw/zinc/13/35/61/180133561.db2.gz FXGPGZWXXIOYAQ-OAHLLOKOSA-N 2 2 291.439 2.141 10 0 CEAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091320829 180133562 /nfs/dbraw/zinc/13/35/62/180133562.db2.gz FXGPGZWXXIOYAQ-OAHLLOKOSA-N 2 2 291.439 2.141 10 0 CEAELP CCCNC(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)cc1 ZINC000091317181 180133744 /nfs/dbraw/zinc/13/37/44/180133744.db2.gz CSJUNSMTEWHEIH-AWEZNQCLSA-N 2 2 297.830 2.015 10 0 CEAELP CCCNC(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000091317181 180133746 /nfs/dbraw/zinc/13/37/46/180133746.db2.gz CSJUNSMTEWHEIH-AWEZNQCLSA-N 2 2 297.830 2.015 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](CC)Cc1cccs1 ZINC000091322769 180134519 /nfs/dbraw/zinc/13/45/19/180134519.db2.gz OOJCQUQOBKNRBI-CYBMUJFWSA-N 2 2 297.468 2.156 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](CC)Cc1cccs1 ZINC000091322769 180134520 /nfs/dbraw/zinc/13/45/20/180134520.db2.gz OOJCQUQOBKNRBI-CYBMUJFWSA-N 2 2 297.468 2.156 10 0 CEAELP CCC1(C)CC[NH+]([C@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325438 180135378 /nfs/dbraw/zinc/13/53/78/180135378.db2.gz DEBHCEYQOCEXLD-HNNXBMFYSA-N 2 2 295.471 2.228 10 0 CEAELP c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2cncn2C2CC2)c[nH+]1 ZINC000091275119 180119252 /nfs/dbraw/zinc/11/92/52/180119252.db2.gz ARJJKRBIRFYVGO-LSDHHAIUSA-N 2 2 271.368 2.298 10 0 CEAELP C[C@@H]1CC[C@@H](C)N([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276680 180119571 /nfs/dbraw/zinc/11/95/71/180119571.db2.gz NBYDAZBTMHNWER-BZPMIXESSA-N 2 2 262.401 2.338 10 0 CEAELP CC[C@@H]1CN(Cc2c[nH+]cn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000091277088 180120193 /nfs/dbraw/zinc/12/01/93/180120193.db2.gz MJOYJRSLCMEPTG-OLZOCXBDSA-N 2 2 262.401 2.180 10 0 CEAELP [NH3+]C[C@H](Nc1cccc(F)c1)c1c[nH+]cn1C1CC1 ZINC000091276642 180120276 /nfs/dbraw/zinc/12/02/76/180120276.db2.gz YGSRWYFTLKQXGJ-ZDUSSCGKSA-N 2 2 260.316 2.469 10 0 CEAELP CC(C)N(CC1CC1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276425 180120551 /nfs/dbraw/zinc/12/05/51/180120551.db2.gz LTRCXDWROKFVKB-AWEZNQCLSA-N 2 2 262.401 2.338 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000091402620 180146817 /nfs/dbraw/zinc/14/68/17/180146817.db2.gz IVCVADATOZLJIA-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000091402620 180146820 /nfs/dbraw/zinc/14/68/20/180146820.db2.gz IVCVADATOZLJIA-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH2+][C@H](Cc1cnn(C)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091565099 180193389 /nfs/dbraw/zinc/19/33/89/180193389.db2.gz YOMSDGJMIIYKRL-OAHLLOKOSA-N 2 2 278.444 2.205 10 0 CEAELP C[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091564924 180193702 /nfs/dbraw/zinc/19/37/02/180193702.db2.gz UYRXEULPNMGSHZ-OAHLLOKOSA-N 3 2 276.428 2.059 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncnn1C)[C@](C)(CC)[NH+](CC)CC ZINC000091601506 180203140 /nfs/dbraw/zinc/20/31/40/180203140.db2.gz UIWMSHMJPHLYMY-HOCLYGCPSA-N 2 2 295.475 2.236 10 0 CEAELP CC[C@](C)([C@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606085 180204501 /nfs/dbraw/zinc/20/45/01/180204501.db2.gz SLVGHALVQZDSSZ-GOEBONIOSA-N 3 2 276.428 2.059 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H](O)C(C)(C)[NH+]2CCCC2)c1C ZINC000091532960 180181613 /nfs/dbraw/zinc/18/16/13/180181613.db2.gz UWNHOCAHYWKBQW-OAHLLOKOSA-N 2 2 292.423 2.485 10 0 CEAELP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000091543563 180185057 /nfs/dbraw/zinc/18/50/57/180185057.db2.gz KTBNEXRJRHHUCK-NWDGAFQWSA-N 2 2 270.336 2.143 10 0 CEAELP CCCn1ccnc1[C@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716265 180232191 /nfs/dbraw/zinc/23/21/91/180232191.db2.gz KRHYSDLCMSVDDA-ZDUSSCGKSA-N 2 2 252.406 2.286 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1cc(C)cnc1N ZINC000091716431 180232273 /nfs/dbraw/zinc/23/22/73/180232273.db2.gz GPTJZJHSSIIQSL-CQSZACIVSA-N 2 2 264.417 2.355 10 0 CEAELP CC[NH2+][C@H](c1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721741 180238296 /nfs/dbraw/zinc/23/82/96/180238296.db2.gz UTMLNRPCTHNWPZ-OWCLPIDISA-N 2 2 260.381 2.200 10 0 CEAELP CC[NH2+][C@H](c1ccccc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721741 180238298 /nfs/dbraw/zinc/23/82/98/180238298.db2.gz UTMLNRPCTHNWPZ-OWCLPIDISA-N 2 2 260.381 2.200 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000091723778 180241316 /nfs/dbraw/zinc/24/13/16/180241316.db2.gz OYCKQRUJFOAEGQ-SNVBAGLBSA-N 2 2 262.401 2.011 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000092083096 180320333 /nfs/dbraw/zinc/32/03/33/180320333.db2.gz DECAWTONQFIYRV-SCRDCRAPSA-N 2 2 278.396 2.291 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000092083096 180320336 /nfs/dbraw/zinc/32/03/36/180320336.db2.gz DECAWTONQFIYRV-SCRDCRAPSA-N 2 2 278.396 2.291 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092083485 180320744 /nfs/dbraw/zinc/32/07/44/180320744.db2.gz WVJQGXCBEWGQGF-ZOWXZIJZSA-N 2 2 278.396 2.291 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)c(OC)c1 ZINC000092083485 180320746 /nfs/dbraw/zinc/32/07/46/180320746.db2.gz WVJQGXCBEWGQGF-ZOWXZIJZSA-N 2 2 278.396 2.291 10 0 CEAELP c1ccc2c(c1)C[C@H](C[NH2+]CC[NH+]1CCCC1)S2 ZINC000092244062 180352503 /nfs/dbraw/zinc/35/25/03/180352503.db2.gz WOYCOGUXRHAWBI-CQSZACIVSA-N 2 2 262.422 2.389 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2ccccc2S1 ZINC000092271376 180356215 /nfs/dbraw/zinc/35/62/15/180356215.db2.gz WPERWTDVMGLRLE-YPMHNXCESA-N 2 2 273.405 2.490 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([NH2+]CC(C)C)CCC2 ZINC000092384824 180374198 /nfs/dbraw/zinc/37/41/98/180374198.db2.gz DOGDAUAXPQNALW-INIZCTEOSA-N 2 2 262.397 2.431 10 0 CEAELP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550901 186303702 /nfs/dbraw/zinc/30/37/02/186303702.db2.gz RMLIKVCSPZROHA-ZIAGYGMSSA-N 2 2 299.459 2.173 10 0 CEAELP C[C@H]([NH3+])C1CC[NH+](Cc2noc(-c3cccs3)n2)CC1 ZINC000110649220 186309852 /nfs/dbraw/zinc/30/98/52/186309852.db2.gz XGCDYCDDTQSLGO-JTQLQIEISA-N 2 2 292.408 2.357 10 0 CEAELP CCC[N@H+](C[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946660 186335545 /nfs/dbraw/zinc/33/55/45/186335545.db2.gz PNXLADOAEFJUBL-CABCVRRESA-N 2 2 290.407 2.290 10 0 CEAELP CCC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000110946660 186335547 /nfs/dbraw/zinc/33/55/47/186335547.db2.gz PNXLADOAEFJUBL-CABCVRRESA-N 2 2 290.407 2.290 10 0 CEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977881 186338859 /nfs/dbraw/zinc/33/88/59/186338859.db2.gz XUCAXNJQJYXKPS-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977881 186338860 /nfs/dbraw/zinc/33/88/60/186338860.db2.gz XUCAXNJQJYXKPS-CQSZACIVSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977464 186339159 /nfs/dbraw/zinc/33/91/59/186339159.db2.gz OMNPIWTYFBVJII-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977464 186339161 /nfs/dbraw/zinc/33/91/61/186339161.db2.gz OMNPIWTYFBVJII-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000111043730 186347478 /nfs/dbraw/zinc/34/74/78/186347478.db2.gz RIXKBTSMLCSAFG-OAHLLOKOSA-N 2 2 267.332 2.216 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154331 186361020 /nfs/dbraw/zinc/36/10/20/186361020.db2.gz ROEVTLKJPWNLKX-NUEKZKHPSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154331 186361022 /nfs/dbraw/zinc/36/10/22/186361022.db2.gz ROEVTLKJPWNLKX-NUEKZKHPSA-N 2 2 277.412 2.218 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@H+](C)CCC[NH+](C)C ZINC000111136424 186357036 /nfs/dbraw/zinc/35/70/36/186357036.db2.gz DBXHLRFHWHXCLG-ZDUSSCGKSA-N 3 2 279.428 2.098 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111136424 186357037 /nfs/dbraw/zinc/35/70/37/186357037.db2.gz DBXHLRFHWHXCLG-ZDUSSCGKSA-N 3 2 279.428 2.098 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000111148041 186358266 /nfs/dbraw/zinc/35/82/66/186358266.db2.gz HPKVJWYODPJSCI-UHFFFAOYSA-N 3 2 269.477 2.430 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000111148041 186358267 /nfs/dbraw/zinc/35/82/67/186358267.db2.gz HPKVJWYODPJSCI-UHFFFAOYSA-N 3 2 269.477 2.430 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147987 186358421 /nfs/dbraw/zinc/35/84/21/186358421.db2.gz OKTJMRASZABNCO-HUUCEWRRSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147987 186358423 /nfs/dbraw/zinc/35/84/23/186358423.db2.gz OKTJMRASZABNCO-HUUCEWRRSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147741 186358778 /nfs/dbraw/zinc/35/87/78/186358778.db2.gz BUHBGRQQPLTAOM-CABCVRRESA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147741 186358779 /nfs/dbraw/zinc/35/87/79/186358779.db2.gz BUHBGRQQPLTAOM-CABCVRRESA-N 3 2 255.450 2.038 10 0 CEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)CC1CCOCC1 ZINC000111175472 186365448 /nfs/dbraw/zinc/36/54/48/186365448.db2.gz JMWUMXPFDDVDAU-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)CC1CCOCC1 ZINC000111175472 186365449 /nfs/dbraw/zinc/36/54/49/186365449.db2.gz JMWUMXPFDDVDAU-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP C[C@@H]1C[NH+](C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)C[C@@H](C)O1 ZINC000111323862 186396622 /nfs/dbraw/zinc/39/66/22/186396622.db2.gz OSVSAPYEUINKBF-BFYDXBDKSA-N 2 2 298.471 2.281 10 0 CEAELP C[N@H+](Cc1ccncc1Br)[C@H]1CCC[NH2+]CC1 ZINC000629519559 351386668 /nfs/dbraw/zinc/38/66/68/351386668.db2.gz UOBMDQCAHHTVAO-LBPRGKRZSA-N 2 2 298.228 2.418 10 0 CEAELP C[N@@H+](Cc1ccncc1Br)[C@H]1CCC[NH2+]CC1 ZINC000629519559 351386674 /nfs/dbraw/zinc/38/66/74/351386674.db2.gz UOBMDQCAHHTVAO-LBPRGKRZSA-N 2 2 298.228 2.418 10 0 CEAELP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccs1 ZINC000070142869 363034896 /nfs/dbraw/zinc/03/48/96/363034896.db2.gz YXIKQLHMFPKEEU-JTQLQIEISA-N 2 2 264.398 2.398 10 0 CEAELP CCC([NH3+])(CC)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000094245898 535182284 /nfs/dbraw/zinc/18/22/84/535182284.db2.gz XZDQGCTYZAAZEQ-UHFFFAOYSA-N 2 2 279.403 2.465 10 0 CEAELP CCC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000154516973 188148010 /nfs/dbraw/zinc/14/80/10/188148010.db2.gz JECRMHBTFHISPL-RBSFLKMASA-N 2 2 292.427 2.023 10 0 CEAELP C([NH2+]CC1CCCC1)[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000675070195 540111851 /nfs/dbraw/zinc/11/18/51/540111851.db2.gz NATUTVSNBLVYPW-OAHLLOKOSA-N 2 2 252.402 2.020 10 0 CEAELP C([NH2+]CC1CCCC1)[C@H]1CC[N@H+]1C1CCOCC1 ZINC000675070195 540111853 /nfs/dbraw/zinc/11/18/53/540111853.db2.gz NATUTVSNBLVYPW-OAHLLOKOSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384670195 540212982 /nfs/dbraw/zinc/21/29/82/540212982.db2.gz CWAJSYOJAHIVFM-HUUCEWRRSA-N 2 2 268.445 2.392 10 0 CEAELP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384670195 540212986 /nfs/dbraw/zinc/21/29/86/540212986.db2.gz CWAJSYOJAHIVFM-HUUCEWRRSA-N 2 2 268.445 2.392 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384793865 540218269 /nfs/dbraw/zinc/21/82/69/540218269.db2.gz XFMJMZKELUUNQF-OWCLPIDISA-N 2 2 268.445 2.392 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384793865 540218271 /nfs/dbraw/zinc/21/82/71/540218271.db2.gz XFMJMZKELUUNQF-OWCLPIDISA-N 2 2 268.445 2.392 10 0 CEAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101824 189028920 /nfs/dbraw/zinc/02/89/20/189028920.db2.gz ZVAQKMVLAJREQC-INIZCTEOSA-N 2 2 299.374 2.334 10 0 CEAELP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101824 189028921 /nfs/dbraw/zinc/02/89/21/189028921.db2.gz ZVAQKMVLAJREQC-INIZCTEOSA-N 2 2 299.374 2.334 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1noc(C(C)C)n1 ZINC000178297364 189103996 /nfs/dbraw/zinc/10/39/96/189103996.db2.gz FFTGLXZOJAQJEI-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1noc(C(C)C)n1 ZINC000178297364 189103997 /nfs/dbraw/zinc/10/39/97/189103997.db2.gz FFTGLXZOJAQJEI-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000178309352 189104511 /nfs/dbraw/zinc/10/45/11/189104511.db2.gz GFZNQRBPFGUXLD-CQSZACIVSA-N 2 2 274.368 2.461 10 0 CEAELP Cc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000178309352 189104512 /nfs/dbraw/zinc/10/45/12/189104512.db2.gz GFZNQRBPFGUXLD-CQSZACIVSA-N 2 2 274.368 2.461 10 0 CEAELP CCc1noc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178310909 189106066 /nfs/dbraw/zinc/10/60/66/189106066.db2.gz HCAJRUOZRNLYBQ-WCQYABFASA-N 2 2 289.383 2.363 10 0 CEAELP CCc1noc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178310909 189106067 /nfs/dbraw/zinc/10/60/67/189106067.db2.gz HCAJRUOZRNLYBQ-WCQYABFASA-N 2 2 289.383 2.363 10 0 CEAELP CCc1cc(N(C)C[C@@H]2CCC[N@H+]2CC)nc(C)[nH+]1 ZINC000302114408 201345726 /nfs/dbraw/zinc/34/57/26/201345726.db2.gz VPVYZBSNQJJPJA-AWEZNQCLSA-N 2 2 262.401 2.268 10 0 CEAELP CCc1cc(N(C)C[C@@H]2CCC[N@@H+]2CC)nc(C)[nH+]1 ZINC000302114408 201345729 /nfs/dbraw/zinc/34/57/29/201345729.db2.gz VPVYZBSNQJJPJA-AWEZNQCLSA-N 2 2 262.401 2.268 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000103473843 364657997 /nfs/dbraw/zinc/65/79/97/364657997.db2.gz ICBTZAHMOOWCGY-HNNXBMFYSA-N 2 2 282.391 2.453 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc1 ZINC000103473843 364658004 /nfs/dbraw/zinc/65/80/04/364658004.db2.gz ICBTZAHMOOWCGY-HNNXBMFYSA-N 2 2 282.391 2.453 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000113518339 364903949 /nfs/dbraw/zinc/90/39/49/364903949.db2.gz CMQGGLSHHRXRAK-HOCLYGCPSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000113518339 364903953 /nfs/dbraw/zinc/90/39/53/364903953.db2.gz CMQGGLSHHRXRAK-HOCLYGCPSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843630 367586255 /nfs/dbraw/zinc/58/62/55/367586255.db2.gz QRZYJFMJCHEKDY-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843630 367586256 /nfs/dbraw/zinc/58/62/56/367586256.db2.gz QRZYJFMJCHEKDY-RYUDHWBXSA-N 2 2 295.814 2.114 10 0 CEAELP C[N@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1C=CCCC1 ZINC000171746313 367608934 /nfs/dbraw/zinc/60/89/34/367608934.db2.gz DLHNHSWJLXUORV-MRXNPFEDSA-N 2 2 288.439 2.388 10 0 CEAELP C[N@@H+](C1CC[NH+](CCn2cccn2)CC1)[C@@H]1C=CCCC1 ZINC000171746313 367608942 /nfs/dbraw/zinc/60/89/42/367608942.db2.gz DLHNHSWJLXUORV-MRXNPFEDSA-N 2 2 288.439 2.388 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246611364 370984045 /nfs/dbraw/zinc/98/40/45/370984045.db2.gz GTBCZQIKTXGJCO-KGLIPLIRSA-N 2 2 291.395 2.157 10 0 CEAELP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246611364 370984049 /nfs/dbraw/zinc/98/40/49/370984049.db2.gz GTBCZQIKTXGJCO-KGLIPLIRSA-N 2 2 291.395 2.157 10 0 CEAELP CSC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903838 369578520 /nfs/dbraw/zinc/57/85/20/369578520.db2.gz WSDWWSRDAZTRSS-SWLSCSKDSA-N 2 2 291.420 2.247 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ncccn3)C2)[nH+]1 ZINC000192034542 369766682 /nfs/dbraw/zinc/76/66/82/369766682.db2.gz KUDQBFOFGYOXCK-AWEZNQCLSA-N 2 2 283.379 2.114 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ncccn3)C2)[nH+]1 ZINC000192034542 369766686 /nfs/dbraw/zinc/76/66/86/369766686.db2.gz KUDQBFOFGYOXCK-AWEZNQCLSA-N 2 2 283.379 2.114 10 0 CEAELP CCCOc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000233250411 370518047 /nfs/dbraw/zinc/51/80/47/370518047.db2.gz PGRYAODQMHXTLT-CJNGLKHVSA-N 2 2 278.396 2.133 10 0 CEAELP CCCOc1ccc(OCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000233250411 370518049 /nfs/dbraw/zinc/51/80/49/370518049.db2.gz PGRYAODQMHXTLT-CJNGLKHVSA-N 2 2 278.396 2.133 10 0 CEAELP CCc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231668410 370486152 /nfs/dbraw/zinc/48/61/52/370486152.db2.gz CRYZWEAKWMEHOH-MRXNPFEDSA-N 2 2 289.423 2.261 10 0 CEAELP CCc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231668410 370486157 /nfs/dbraw/zinc/48/61/57/370486157.db2.gz CRYZWEAKWMEHOH-MRXNPFEDSA-N 2 2 289.423 2.261 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000246832913 371018827 /nfs/dbraw/zinc/01/88/27/371018827.db2.gz GXHIUYHMCXDKLT-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000246832913 371018832 /nfs/dbraw/zinc/01/88/32/371018832.db2.gz GXHIUYHMCXDKLT-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H](c1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000247109406 371066342 /nfs/dbraw/zinc/06/63/42/371066342.db2.gz IXXLOUPXPPLRHR-JKSUJKDBSA-N 2 2 262.397 2.400 10 0 CEAELP CC[C@H](c1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000247109406 371066346 /nfs/dbraw/zinc/06/63/46/371066346.db2.gz IXXLOUPXPPLRHR-JKSUJKDBSA-N 2 2 262.397 2.400 10 0 CEAELP C[C@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587671 371217247 /nfs/dbraw/zinc/21/72/47/371217247.db2.gz QKQGWDPRNOVQRK-WBVHZDCISA-N 2 2 276.424 2.128 10 0 CEAELP C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587671 371217252 /nfs/dbraw/zinc/21/72/52/371217252.db2.gz QKQGWDPRNOVQRK-WBVHZDCISA-N 2 2 276.424 2.128 10 0 CEAELP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249905304 371369927 /nfs/dbraw/zinc/36/99/27/371369927.db2.gz UUOXXSQKJQLJSO-KBPBESRZSA-N 2 2 291.395 2.075 10 0 CEAELP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000249905304 371369932 /nfs/dbraw/zinc/36/99/32/371369932.db2.gz UUOXXSQKJQLJSO-KBPBESRZSA-N 2 2 291.395 2.075 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261587404 371664925 /nfs/dbraw/zinc/66/49/25/371664925.db2.gz VANRQSQQQDPKAT-WCFLWFBJSA-N 2 2 265.426 2.436 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cs1 ZINC000261587404 371664933 /nfs/dbraw/zinc/66/49/33/371664933.db2.gz VANRQSQQQDPKAT-WCFLWFBJSA-N 2 2 265.426 2.436 10 0 CEAELP C[C@]1(c2ccccc2)CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261801880 371735875 /nfs/dbraw/zinc/73/58/75/371735875.db2.gz QVSWVWMRTZZLBY-INIZCTEOSA-N 2 2 286.379 2.082 10 0 CEAELP C[C@]1(c2ccccc2)CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261801880 371735881 /nfs/dbraw/zinc/73/58/81/371735881.db2.gz QVSWVWMRTZZLBY-INIZCTEOSA-N 2 2 286.379 2.082 10 0 CEAELP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])s2)cn1 ZINC000261819116 371742532 /nfs/dbraw/zinc/74/25/32/371742532.db2.gz IEPUNSCBWNSNNC-GFCCVEGCSA-N 2 2 276.409 2.072 10 0 CEAELP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])s2)cn1 ZINC000261819116 371742536 /nfs/dbraw/zinc/74/25/36/371742536.db2.gz IEPUNSCBWNSNNC-GFCCVEGCSA-N 2 2 276.409 2.072 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000262120526 371825972 /nfs/dbraw/zinc/82/59/72/371825972.db2.gz XGNXDMQHRVEFSG-CABZTGNLSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000262120526 371825976 /nfs/dbraw/zinc/82/59/76/371825976.db2.gz XGNXDMQHRVEFSG-CABZTGNLSA-N 2 2 256.296 2.067 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc(C)[nH+]1 ZINC000272916976 373711170 /nfs/dbraw/zinc/71/11/70/373711170.db2.gz SMHOXDCVSVCAMN-BXUZGUMPSA-N 2 2 260.385 2.020 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)nc(C)[nH+]1 ZINC000272916976 373711176 /nfs/dbraw/zinc/71/11/76/373711176.db2.gz SMHOXDCVSVCAMN-BXUZGUMPSA-N 2 2 260.385 2.020 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000382045953 375183044 /nfs/dbraw/zinc/18/30/44/375183044.db2.gz VODLJHZUDZMAHQ-DZGCQCFKSA-N 2 2 253.349 2.423 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000382016413 375181521 /nfs/dbraw/zinc/18/15/21/375181521.db2.gz OJXDLWLNBQSVJF-AWEZNQCLSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000382016413 375181529 /nfs/dbraw/zinc/18/15/29/375181529.db2.gz OJXDLWLNBQSVJF-AWEZNQCLSA-N 2 2 297.443 2.070 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)c1C ZINC000389283659 375302152 /nfs/dbraw/zinc/30/21/52/375302152.db2.gz VIEWRJIFOCTDGP-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)c1C ZINC000389283659 375302157 /nfs/dbraw/zinc/30/21/57/375302157.db2.gz VIEWRJIFOCTDGP-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000389438648 375303781 /nfs/dbraw/zinc/30/37/81/375303781.db2.gz NGDDXNRNYXXHDA-QLFBSQMISA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCCC2 ZINC000389438648 375303789 /nfs/dbraw/zinc/30/37/89/375303789.db2.gz NGDDXNRNYXXHDA-QLFBSQMISA-N 2 2 266.429 2.408 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000192009497 249339919 /nfs/dbraw/zinc/33/99/19/249339919.db2.gz VRHVYCLTFHZGIT-ZDUSSCGKSA-N 2 2 271.368 2.073 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000192009497 249339922 /nfs/dbraw/zinc/33/99/22/249339922.db2.gz VRHVYCLTFHZGIT-ZDUSSCGKSA-N 2 2 271.368 2.073 10 0 CEAELP C[NH2+][C@H](Cc1nc(C)c(C)s1)C(C)(C)[NH+](C)C ZINC000094974066 184909310 /nfs/dbraw/zinc/90/93/10/184909310.db2.gz ULCCTFDCNYTTSG-LLVKDONJSA-N 2 2 255.431 2.231 10 0 CEAELP COc1ncccc1C[N@H+](C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000095006294 184913748 /nfs/dbraw/zinc/91/37/48/184913748.db2.gz DYXNRCOUJRGZHB-CJNGLKHVSA-N 2 2 277.412 2.430 10 0 CEAELP COc1ncccc1C[N@@H+](C)[C@@]1(C[NH3+])CCC[C@@H](C)C1 ZINC000095006294 184913749 /nfs/dbraw/zinc/91/37/49/184913749.db2.gz DYXNRCOUJRGZHB-CJNGLKHVSA-N 2 2 277.412 2.430 10 0 CEAELP Cc1cccc(N2CC[NH+]([C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000090695435 135064100 /nfs/dbraw/zinc/06/41/00/135064100.db2.gz FATJMEXDKRIEKW-DOTOQJQBSA-N 2 2 273.424 2.115 10 0 CEAELP CC1(C)CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000094309161 135085970 /nfs/dbraw/zinc/08/59/70/135085970.db2.gz SWJHRFBAEAHHAH-QGZVFWFLSA-N 2 2 288.439 2.111 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261613644 394604076 /nfs/dbraw/zinc/60/40/76/394604076.db2.gz SUTPSMZXIWWXBL-GXSJLCMTSA-N 2 2 271.286 2.289 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC1CCOCC1 ZINC000386522850 400526573 /nfs/dbraw/zinc/52/65/73/400526573.db2.gz NXSHPTYFDOEOHT-HNNXBMFYSA-N 2 2 256.434 2.369 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)C2CC2)C12CCOCC2 ZINC000248913126 286386250 /nfs/dbraw/zinc/38/62/50/286386250.db2.gz CMAWTSNBLZUARI-JKSUJKDBSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)C2CC2)C12CCOCC2 ZINC000248913126 286386252 /nfs/dbraw/zinc/38/62/52/286386252.db2.gz CMAWTSNBLZUARI-JKSUJKDBSA-N 2 2 296.455 2.035 10 0 CEAELP CCCCOC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294268 165231899 /nfs/dbraw/zinc/23/18/99/165231899.db2.gz GHIJDRLRSUDEMO-HNNXBMFYSA-N 2 2 293.411 2.389 10 0 CEAELP CCCCOC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294268 165231900 /nfs/dbraw/zinc/23/19/00/165231900.db2.gz GHIJDRLRSUDEMO-HNNXBMFYSA-N 2 2 293.411 2.389 10 0 CEAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183176166 165385847 /nfs/dbraw/zinc/38/58/47/165385847.db2.gz IGQUKFMSTQJJGF-OAHLLOKOSA-N 2 2 287.411 2.461 10 0 CEAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183176166 165385849 /nfs/dbraw/zinc/38/58/49/165385849.db2.gz IGQUKFMSTQJJGF-OAHLLOKOSA-N 2 2 287.411 2.461 10 0 CEAELP C(C[NH2+][C@H]1C[NH+]2CCC1CC2)COC1CCCCC1 ZINC000020441834 171205082 /nfs/dbraw/zinc/20/50/82/171205082.db2.gz FKVLDHNDJXZHSR-INIZCTEOSA-N 2 2 266.429 2.410 10 0 CEAELP CCCC[NH+](CCCC)[C@H](C[NH3+])c1cnn(C)c1 ZINC000020484856 171224265 /nfs/dbraw/zinc/22/42/65/171224265.db2.gz YFJDCNDHQWEXST-CQSZACIVSA-N 2 2 252.406 2.322 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000037174479 173008225 /nfs/dbraw/zinc/00/82/25/173008225.db2.gz KYSUHDLZXRJXAR-KGLIPLIRSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000037174479 173008227 /nfs/dbraw/zinc/00/82/27/173008227.db2.gz KYSUHDLZXRJXAR-KGLIPLIRSA-N 2 2 250.411 2.432 10 0 CEAELP C[C@@H](C[NH2+][C@@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041603 174043257 /nfs/dbraw/zinc/04/32/57/174043257.db2.gz NUCOFZMDKUDUMJ-STQMWFEESA-N 2 2 250.390 2.182 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(F)cc1F ZINC000040638520 174363089 /nfs/dbraw/zinc/36/30/89/174363089.db2.gz CYLJVTFWYKFOSE-UHFFFAOYSA-N 2 2 251.280 2.031 10 0 CEAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671247 174369118 /nfs/dbraw/zinc/36/91/18/174369118.db2.gz SCQGSAJXVNYTLK-KRWDZBQOSA-N 2 2 289.467 2.233 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672932 174371100 /nfs/dbraw/zinc/37/11/00/174371100.db2.gz RAFPTGHLPFLTEP-MRXNPFEDSA-N 2 2 273.424 2.471 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2N2CCCC2)C1 ZINC000040672932 174371101 /nfs/dbraw/zinc/37/11/01/174371101.db2.gz RAFPTGHLPFLTEP-MRXNPFEDSA-N 2 2 273.424 2.471 10 0 CEAELP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673092 174371432 /nfs/dbraw/zinc/37/14/32/174371432.db2.gz ICYQDFWEVCEBAT-DOMZBBRYSA-N 2 2 260.381 2.366 10 0 CEAELP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673092 174371433 /nfs/dbraw/zinc/37/14/33/174371433.db2.gz ICYQDFWEVCEBAT-DOMZBBRYSA-N 2 2 260.381 2.366 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000040689104 174376023 /nfs/dbraw/zinc/37/60/23/174376023.db2.gz IIMMKXYHLJMNMX-MRXNPFEDSA-N 2 2 262.397 2.496 10 0 CEAELP [NH3+]C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693649 174377266 /nfs/dbraw/zinc/37/72/66/174377266.db2.gz KPCPHLOJFRURCN-DOTOQJQBSA-N 3 2 279.472 2.454 10 0 CEAELP CC[C@@H](CC(N)=[NH2+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694097 174377724 /nfs/dbraw/zinc/37/77/24/174377724.db2.gz WFGCMXPQFDYDSP-ZDUSSCGKSA-N 3 2 266.433 2.041 10 0 CEAELP C[N@H+](Cc1nnc(-c2ccco2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746884 174392133 /nfs/dbraw/zinc/39/21/33/174392133.db2.gz KPDCWDGZHABQEK-FOSCPWQOSA-N 2 2 288.351 2.044 10 0 CEAELP C[N@@H+](Cc1nnc(-c2ccco2)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746884 174392135 /nfs/dbraw/zinc/39/21/35/174392135.db2.gz KPDCWDGZHABQEK-FOSCPWQOSA-N 2 2 288.351 2.044 10 0 CEAELP C[N@H+](Cc1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747039 174392449 /nfs/dbraw/zinc/39/24/49/174392449.db2.gz UJYLRWSTQNDSPR-FUNVUKJBSA-N 2 2 270.380 2.278 10 0 CEAELP C[N@@H+](Cc1nc2ccccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747039 174392450 /nfs/dbraw/zinc/39/24/50/174392450.db2.gz UJYLRWSTQNDSPR-FUNVUKJBSA-N 2 2 270.380 2.278 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCO1 ZINC000042915098 174915011 /nfs/dbraw/zinc/91/50/11/174915011.db2.gz MICJKDLBZDWRPL-TUKIKUTGSA-N 2 2 266.360 2.325 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCCO1 ZINC000042915098 174915012 /nfs/dbraw/zinc/91/50/12/174915012.db2.gz MICJKDLBZDWRPL-TUKIKUTGSA-N 2 2 266.360 2.325 10 0 CEAELP CCOC1CCC([NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000657844252 415103457 /nfs/dbraw/zinc/10/34/57/415103457.db2.gz HTQZWZXEKBRFDC-SLTAFYQDSA-N 2 2 254.418 2.408 10 0 CEAELP CCOC1CCC([NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000657844252 415103463 /nfs/dbraw/zinc/10/34/63/415103463.db2.gz HTQZWZXEKBRFDC-SLTAFYQDSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1OC)[N@H+](C)[C@@H](C)COC ZINC000043098106 174965872 /nfs/dbraw/zinc/96/58/72/174965872.db2.gz FMMCYMVDFAIUDQ-DUVNUKRYSA-N 2 2 280.412 2.440 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1OC)[N@@H+](C)[C@@H](C)COC ZINC000043098106 174965873 /nfs/dbraw/zinc/96/58/73/174965873.db2.gz FMMCYMVDFAIUDQ-DUVNUKRYSA-N 2 2 280.412 2.440 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCSC1 ZINC000043339156 175013425 /nfs/dbraw/zinc/01/34/25/175013425.db2.gz PGRBGHIIRFSKMI-YRGRVCCFSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043339156 175013426 /nfs/dbraw/zinc/01/34/26/175013426.db2.gz PGRBGHIIRFSKMI-YRGRVCCFSA-N 2 2 265.426 2.297 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345937 175017093 /nfs/dbraw/zinc/01/70/93/175017093.db2.gz NQOWNKNKLCPIRN-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345937 175017094 /nfs/dbraw/zinc/01/70/94/175017094.db2.gz NQOWNKNKLCPIRN-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@H](C[NH3+])c1cccnc1 ZINC000043348790 175018913 /nfs/dbraw/zinc/01/89/13/175018913.db2.gz SBDBIJZNXFGCGT-OAHLLOKOSA-N 2 2 252.321 2.288 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043353071 175020153 /nfs/dbraw/zinc/02/01/53/175020153.db2.gz OPGVBXBOUOTWIU-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043353071 175020154 /nfs/dbraw/zinc/02/01/54/175020154.db2.gz OPGVBXBOUOTWIU-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043354171 175021692 /nfs/dbraw/zinc/02/16/92/175021692.db2.gz AMEGNUVCBJWMAO-JYJNAYRXSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043354171 175021694 /nfs/dbraw/zinc/02/16/94/175021694.db2.gz AMEGNUVCBJWMAO-JYJNAYRXSA-N 2 2 277.412 2.361 10 0 CEAELP [NH3+]C[C@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354990 175023249 /nfs/dbraw/zinc/02/32/49/175023249.db2.gz MSAMIJSFMLLUTE-OAHLLOKOSA-N 2 2 264.332 2.493 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(CO)CC1 ZINC000043364002 175024532 /nfs/dbraw/zinc/02/45/32/175024532.db2.gz OVSGGGHRCOUOKI-ZFWWWQNUSA-N 2 2 266.385 2.071 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043805173 175107782 /nfs/dbraw/zinc/10/77/82/175107782.db2.gz IVQQYHTWDAOCSL-BARDWOONSA-N 2 2 254.418 2.121 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043805173 175107783 /nfs/dbraw/zinc/10/77/83/175107783.db2.gz IVQQYHTWDAOCSL-BARDWOONSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000043897634 175120280 /nfs/dbraw/zinc/12/02/80/175120280.db2.gz VAVSFMJDIIVENQ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+]2CCOC(C)(C)C2)C1 ZINC000043897634 175120283 /nfs/dbraw/zinc/12/02/83/175120283.db2.gz VAVSFMJDIIVENQ-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898367 175121206 /nfs/dbraw/zinc/12/12/06/175121206.db2.gz UUXPHPIWQUKBNT-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898367 175121208 /nfs/dbraw/zinc/12/12/08/175121208.db2.gz UUXPHPIWQUKBNT-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[NH+](CC(C)C)CC(C)C ZINC000043909699 175123375 /nfs/dbraw/zinc/12/33/75/175123375.db2.gz GLFRQJDZANJZLA-LSDHHAIUSA-N 2 2 256.434 2.367 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](CCCOC)CCOC ZINC000043970845 175132228 /nfs/dbraw/zinc/13/22/28/175132228.db2.gz OUOZMMYDXKSHIH-NVXWUHKLSA-N 2 2 294.439 2.321 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000043970845 175132229 /nfs/dbraw/zinc/13/22/29/175132229.db2.gz OUOZMMYDXKSHIH-NVXWUHKLSA-N 2 2 294.439 2.321 10 0 CEAELP CCOc1ccccc1[C@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121436 175142776 /nfs/dbraw/zinc/14/27/76/175142776.db2.gz XQAXNKMPPSLIHL-MRXNPFEDSA-N 2 2 292.423 2.145 10 0 CEAELP CCOc1ccccc1[C@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121436 175142777 /nfs/dbraw/zinc/14/27/77/175142777.db2.gz XQAXNKMPPSLIHL-MRXNPFEDSA-N 2 2 292.423 2.145 10 0 CEAELP COc1ccc(F)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529534 175194549 /nfs/dbraw/zinc/19/45/49/175194549.db2.gz KOQHDCIJGWWROZ-LLVKDONJSA-N 2 2 252.333 2.005 10 0 CEAELP COc1ccc(F)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529534 175194551 /nfs/dbraw/zinc/19/45/51/175194551.db2.gz KOQHDCIJGWWROZ-LLVKDONJSA-N 2 2 252.333 2.005 10 0 CEAELP Cc1ccc(NC(=O)C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000045135169 175312398 /nfs/dbraw/zinc/31/23/98/175312398.db2.gz JRPDUNFVFWXBPA-OAHLLOKOSA-N 2 2 289.423 2.253 10 0 CEAELP Cc1ccc(NC(=O)C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000045135169 175312399 /nfs/dbraw/zinc/31/23/99/175312399.db2.gz JRPDUNFVFWXBPA-OAHLLOKOSA-N 2 2 289.423 2.253 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]CC[NH+]2CCCC2)c1C ZINC000045168259 175319412 /nfs/dbraw/zinc/31/94/12/175319412.db2.gz JXXZWRUODQOZOB-LBPRGKRZSA-N 2 2 264.417 2.266 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373567 175365052 /nfs/dbraw/zinc/36/50/52/175365052.db2.gz BIWITBMUYNDGOX-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373567 175365053 /nfs/dbraw/zinc/36/50/53/175365053.db2.gz BIWITBMUYNDGOX-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCC1)C(=O)OC ZINC000045378348 175367770 /nfs/dbraw/zinc/36/77/70/175367770.db2.gz NXSXRLPVODQNDL-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP COC(=O)[C@@](C)(CCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381053 175369808 /nfs/dbraw/zinc/36/98/08/175369808.db2.gz OLMWELUACHKPJK-OAHLLOKOSA-N 2 2 270.417 2.038 10 0 CEAELP COC(=O)[C@@](C)(CCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045381053 175369809 /nfs/dbraw/zinc/36/98/09/175369809.db2.gz OLMWELUACHKPJK-OAHLLOKOSA-N 2 2 270.417 2.038 10 0 CEAELP CCc1c(C)[nH+]c(C(C)C)nc1N1CCC[NH2+]CC1 ZINC000045951086 175388361 /nfs/dbraw/zinc/38/83/61/175388361.db2.gz LAOCGDIIRQJDGG-UHFFFAOYSA-N 2 2 262.401 2.271 10 0 CEAELP Cc1ccc(-c2nc(N3CC[C@H]([NH3+])C3)cc(C)[nH+]2)cc1 ZINC000045954472 175389137 /nfs/dbraw/zinc/38/91/37/175389137.db2.gz FOIHTRFQRFFQNZ-AWEZNQCLSA-N 2 2 268.364 2.298 10 0 CEAELP CCCc1[nH+]ccn1-c1c(C[C@H]([NH3+])CC)c(C)nn1C ZINC000070426106 175922497 /nfs/dbraw/zinc/92/24/97/175922497.db2.gz RVZQZEDJJPVGLI-GFCCVEGCSA-N 2 2 275.400 2.147 10 0 CEAELP [NH3+]C[C@]1([NH+](CC2CC2)CC2CC2)CCCSC1 ZINC000070504645 175958769 /nfs/dbraw/zinc/95/87/69/175958769.db2.gz FYSVSZPDVOVYET-CQSZACIVSA-N 2 2 254.443 2.333 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000071162180 176046172 /nfs/dbraw/zinc/04/61/72/176046172.db2.gz DOCFDOHSQXWMTL-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP CN(C[C@H]1CC[N@H+](C)C1)c1ccc2cc(N)ccc2[nH+]1 ZINC000071188500 176063113 /nfs/dbraw/zinc/06/31/13/176063113.db2.gz JGMUBMXKAKFHGI-LBPRGKRZSA-N 2 2 270.380 2.205 10 0 CEAELP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc2cc(N)ccc2[nH+]1 ZINC000071188500 176063114 /nfs/dbraw/zinc/06/31/14/176063114.db2.gz JGMUBMXKAKFHGI-LBPRGKRZSA-N 2 2 270.380 2.205 10 0 CEAELP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)c1ccccc1 ZINC000071191226 176069421 /nfs/dbraw/zinc/06/94/21/176069421.db2.gz VFKPPYPQJQBOPR-LSDHHAIUSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)c1ccccc1 ZINC000071191226 176069423 /nfs/dbraw/zinc/06/94/23/176069423.db2.gz VFKPPYPQJQBOPR-LSDHHAIUSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1 ZINC000071191226 176069425 /nfs/dbraw/zinc/06/94/25/176069425.db2.gz VFKPPYPQJQBOPR-LSDHHAIUSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1 ZINC000071191226 176069426 /nfs/dbraw/zinc/06/94/26/176069426.db2.gz VFKPPYPQJQBOPR-LSDHHAIUSA-N 2 2 274.408 2.389 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191309 176069518 /nfs/dbraw/zinc/06/95/18/176069518.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191309 176069519 /nfs/dbraw/zinc/06/95/19/176069519.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191309 176069520 /nfs/dbraw/zinc/06/95/20/176069520.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191309 176069522 /nfs/dbraw/zinc/06/95/22/176069522.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1F ZINC000071191262 176070358 /nfs/dbraw/zinc/07/03/58/176070358.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1F ZINC000071191262 176070360 /nfs/dbraw/zinc/07/03/60/176070360.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC000071191262 176070362 /nfs/dbraw/zinc/07/03/62/176070362.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC000071191262 176070364 /nfs/dbraw/zinc/07/03/64/176070364.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192074 176073335 /nfs/dbraw/zinc/07/33/35/176073335.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192074 176073337 /nfs/dbraw/zinc/07/33/37/176073337.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192074 176073338 /nfs/dbraw/zinc/07/33/38/176073338.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192074 176073339 /nfs/dbraw/zinc/07/33/39/176073339.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 3 2 293.455 2.470 10 0 CEAELP C[N@H+](Cc1ccccn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267679 176101269 /nfs/dbraw/zinc/10/12/69/176101269.db2.gz AALRGMOPPIPKQD-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267679 176101270 /nfs/dbraw/zinc/10/12/70/176101270.db2.gz AALRGMOPPIPKQD-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP COc1ccc2c(c1)CCC[C@H]2[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309704 176116683 /nfs/dbraw/zinc/11/66/83/176116683.db2.gz XQSGTWYQBCEQRO-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309704 176116684 /nfs/dbraw/zinc/11/66/84/176116684.db2.gz XQSGTWYQBCEQRO-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP CC[N@H+](CCOc1cc(C)cc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071313963 176120480 /nfs/dbraw/zinc/12/04/80/176120480.db2.gz STOFRZLIXHBWDV-HNNXBMFYSA-N 2 2 262.397 2.366 10 0 CEAELP CC[N@@H+](CCOc1cc(C)cc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071313963 176120481 /nfs/dbraw/zinc/12/04/81/176120481.db2.gz STOFRZLIXHBWDV-HNNXBMFYSA-N 2 2 262.397 2.366 10 0 CEAELP CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071343774 176131003 /nfs/dbraw/zinc/13/10/03/176131003.db2.gz UERSAKRSEAXGRB-JYJNAYRXSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@@H]1CN[C@@H](CC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071343774 176131005 /nfs/dbraw/zinc/13/10/05/176131005.db2.gz UERSAKRSEAXGRB-JYJNAYRXSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@@H]1CN(CCCn2cc[nH+]c2)[C@@H](CC)C[NH2+]1 ZINC000071353985 176136040 /nfs/dbraw/zinc/13/60/40/176136040.db2.gz MGXDSVSUSQJOLD-JYJNAYRXSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071358365 176137784 /nfs/dbraw/zinc/13/77/84/176137784.db2.gz FXTVWZXPRYQDGZ-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000071358365 176137786 /nfs/dbraw/zinc/13/77/86/176137786.db2.gz FXTVWZXPRYQDGZ-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC(C)Cc1ccc([C@@H](CO)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000071627323 176235465 /nfs/dbraw/zinc/23/54/65/176235465.db2.gz DMNRTMFHISTVOS-QGZVFWFLSA-N 2 2 276.424 2.214 10 0 CEAELP CC(C)Cc1ccc([C@@H](CO)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000071627323 176235466 /nfs/dbraw/zinc/23/54/66/176235466.db2.gz DMNRTMFHISTVOS-QGZVFWFLSA-N 2 2 276.424 2.214 10 0 CEAELP CC[C@]([NH3+])(COC)Cc1[nH+]cc(C)c(OC)c1C ZINC000079720404 177543094 /nfs/dbraw/zinc/54/30/94/177543094.db2.gz SWYVJUYTHYCZLO-CQSZACIVSA-N 2 2 252.358 2.003 10 0 CEAELP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000261583693 279114601 /nfs/dbraw/zinc/11/46/01/279114601.db2.gz HKURSDREYSPYFN-BXUZGUMPSA-N 2 2 260.381 2.322 10 0 CEAELP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000261583693 279114602 /nfs/dbraw/zinc/11/46/02/279114602.db2.gz HKURSDREYSPYFN-BXUZGUMPSA-N 2 2 260.381 2.322 10 0 CEAELP Cc1nnsc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384242517 321850934 /nfs/dbraw/zinc/85/09/34/321850934.db2.gz JMQPDKHDKQWLTG-PWSUYJOCSA-N 2 2 268.430 2.247 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887093 322351597 /nfs/dbraw/zinc/35/15/97/322351597.db2.gz AESNDXGORFSZBG-BPUTZDHNSA-N 3 2 269.477 2.331 10 0 CEAELP Cc1cc[nH+]c(NCCC[NH2+]C(C)C)c1Br ZINC000581360205 322390115 /nfs/dbraw/zinc/39/01/15/322390115.db2.gz CDNUJOUHCRFNPN-UHFFFAOYSA-N 2 2 286.217 2.374 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@H+](C)CCOC)cc1 ZINC000052920067 520416439 /nfs/dbraw/zinc/41/64/39/520416439.db2.gz UDSNUFPSJHAXNH-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP CCCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CCOC)cc1 ZINC000052920067 520416445 /nfs/dbraw/zinc/41/64/45/520416445.db2.gz UDSNUFPSJHAXNH-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412324 533809080 /nfs/dbraw/zinc/80/90/80/533809080.db2.gz UKNDUZSHAZJHDC-RDJZCZTQSA-N 3 2 287.451 2.239 10 0 CEAELP C[NH2+][C@H](CSC)Cc1[nH+]cc(C)c(OC)c1C ZINC000054495751 522470148 /nfs/dbraw/zinc/47/01/48/522470148.db2.gz FNLWUWCLHNPPEG-NSHDSACASA-N 2 2 254.399 2.201 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380449 519730040 /nfs/dbraw/zinc/73/00/40/519730040.db2.gz ZMIYKQJRECNBCZ-CHWSQXEVSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417727 519744086 /nfs/dbraw/zinc/74/40/86/519744086.db2.gz JBSRWFGLNMQDKU-CQSZACIVSA-N 2 2 296.484 2.289 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503891 519745130 /nfs/dbraw/zinc/74/51/30/519745130.db2.gz LCKSZKDQSZKHIM-LSDHHAIUSA-N 2 2 297.468 2.368 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503891 519745131 /nfs/dbraw/zinc/74/51/31/519745131.db2.gz LCKSZKDQSZKHIM-LSDHHAIUSA-N 2 2 297.468 2.368 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382745 519749429 /nfs/dbraw/zinc/74/94/29/519749429.db2.gz AVPAFWYZZAVKOL-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382745 519749431 /nfs/dbraw/zinc/74/94/31/519749431.db2.gz AVPAFWYZZAVKOL-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812983 519776317 /nfs/dbraw/zinc/77/63/17/519776317.db2.gz NQFUYLSBDDYBNE-LBPRGKRZSA-N 2 2 280.441 2.104 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)N[C@H](c1ccco1)c1[nH+]ccn1C ZINC000049198443 519814943 /nfs/dbraw/zinc/81/49/43/519814943.db2.gz KOLSFXXTTVXLOA-DZGCQCFKSA-N 2 2 290.411 2.278 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C(=O)OCC)CC1 ZINC000049369788 519847744 /nfs/dbraw/zinc/84/77/44/519847744.db2.gz XCUDBVYLEUURKC-QWHCGFSZSA-N 2 2 270.417 2.038 10 0 CEAELP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CCC)C2 ZINC000054602596 519892113 /nfs/dbraw/zinc/89/21/13/519892113.db2.gz CTIQKRMPZHVLQC-HNSVSWJLSA-N 2 2 295.471 2.286 10 0 CEAELP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CCC)C2 ZINC000054602596 519892116 /nfs/dbraw/zinc/89/21/16/519892116.db2.gz CTIQKRMPZHVLQC-HNSVSWJLSA-N 2 2 295.471 2.286 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)COC ZINC000054602491 519909608 /nfs/dbraw/zinc/90/96/08/519909608.db2.gz NURBMQGWHQMGHF-FFHGMXDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)COC ZINC000054602491 519909611 /nfs/dbraw/zinc/90/96/11/519909611.db2.gz NURBMQGWHQMGHF-FFHGMXDLSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000052182844 519911338 /nfs/dbraw/zinc/91/13/38/519911338.db2.gz GETYWJDINXIGPU-JKSUJKDBSA-N 2 2 296.455 2.036 10 0 CEAELP CCC[NH2+]CC1(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000052182844 519911341 /nfs/dbraw/zinc/91/13/41/519911341.db2.gz GETYWJDINXIGPU-JKSUJKDBSA-N 2 2 296.455 2.036 10 0 CEAELP CC[NH2+]CC[N@H+](CC)CCCOc1ccccc1 ZINC000061815902 519920714 /nfs/dbraw/zinc/92/07/14/519920714.db2.gz OSQIOOHXKYZDHG-UHFFFAOYSA-N 2 2 250.386 2.387 10 0 CEAELP CC[NH2+]CC[N@@H+](CC)CCCOc1ccccc1 ZINC000061815902 519920720 /nfs/dbraw/zinc/92/07/20/519920720.db2.gz OSQIOOHXKYZDHG-UHFFFAOYSA-N 2 2 250.386 2.387 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000053012713 519922406 /nfs/dbraw/zinc/92/24/06/519922406.db2.gz ILGGJNJPBGBIBW-HNNXBMFYSA-N 3 2 255.450 2.040 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000053012713 519922412 /nfs/dbraw/zinc/92/24/12/519922412.db2.gz ILGGJNJPBGBIBW-HNNXBMFYSA-N 3 2 255.450 2.040 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476364 519959531 /nfs/dbraw/zinc/95/95/31/519959531.db2.gz FZQYLFQFJQPUPL-QWHCGFSZSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476364 519959535 /nfs/dbraw/zinc/95/95/35/519959535.db2.gz FZQYLFQFJQPUPL-QWHCGFSZSA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423689 519969635 /nfs/dbraw/zinc/96/96/35/519969635.db2.gz OSUUBYNVMLDGMT-HNNXBMFYSA-N 2 2 291.439 2.063 10 0 CEAELP CCC[NH2+][C@@](Cn1cc[nH+]c1CC)(C(=O)OCC)C1CC1 ZINC000069193344 520060651 /nfs/dbraw/zinc/06/06/51/520060651.db2.gz DEGWXGABKGGAEZ-MRXNPFEDSA-N 2 2 293.411 2.157 10 0 CEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C1CCOCC1 ZINC000069288352 520064495 /nfs/dbraw/zinc/06/44/95/520064495.db2.gz NZKSXJNBJLGWDM-UKRRQHHQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C1CCOCC1 ZINC000069288352 520064503 /nfs/dbraw/zinc/06/45/03/520064503.db2.gz NZKSXJNBJLGWDM-UKRRQHHQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516658 520132958 /nfs/dbraw/zinc/13/29/58/520132958.db2.gz XZXWJTXGVZLMCV-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516658 520132961 /nfs/dbraw/zinc/13/29/61/520132961.db2.gz XZXWJTXGVZLMCV-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+]1CCOC[C@@H]1C ZINC000053866526 520219596 /nfs/dbraw/zinc/21/95/96/520219596.db2.gz XAYWLJQGGYUVBM-XQLPTFJDSA-N 2 2 254.418 2.121 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+]1CCOC[C@@H]1C ZINC000053866526 520219601 /nfs/dbraw/zinc/21/96/01/520219601.db2.gz XAYWLJQGGYUVBM-XQLPTFJDSA-N 2 2 254.418 2.121 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631393 521183616 /nfs/dbraw/zinc/18/36/16/521183616.db2.gz XUBLNEDIYCQAIF-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CC[C@@H](C)C[C@@H]1C ZINC000068631393 521183626 /nfs/dbraw/zinc/18/36/26/521183626.db2.gz XUBLNEDIYCQAIF-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631365 521357342 /nfs/dbraw/zinc/35/73/42/521357342.db2.gz WBWKBEATBMMEEI-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631365 521357351 /nfs/dbraw/zinc/35/73/51/521357351.db2.gz WBWKBEATBMMEEI-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000052543974 521565496 /nfs/dbraw/zinc/56/54/96/521565496.db2.gz LRKQNBLDELTPHC-CQSZACIVSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000052543974 521565502 /nfs/dbraw/zinc/56/55/02/521565502.db2.gz LRKQNBLDELTPHC-CQSZACIVSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017321 521567085 /nfs/dbraw/zinc/56/70/85/521567085.db2.gz GDERUCAAAOAKMC-KRWDZBQOSA-N 3 2 275.440 2.493 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017321 521567086 /nfs/dbraw/zinc/56/70/86/521567086.db2.gz GDERUCAAAOAKMC-KRWDZBQOSA-N 3 2 275.440 2.493 10 0 CEAELP CCC(CC)n1ccc(Cn2cc[nH+]c2C[C@@H](C)[NH3+])n1 ZINC000070326125 521641733 /nfs/dbraw/zinc/64/17/33/521641733.db2.gz VNWPILUKFMMEMO-GFCCVEGCSA-N 2 2 275.400 2.379 10 0 CEAELP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2F)CCOCC1 ZINC000052183401 521964492 /nfs/dbraw/zinc/96/44/92/521964492.db2.gz DBZVRCDMZZZQQY-UHFFFAOYSA-N 2 2 280.387 2.274 10 0 CEAELP C[NH2+]CC1(C[N@@H+](C)Cc2ccccc2F)CCOCC1 ZINC000052183401 521964496 /nfs/dbraw/zinc/96/44/96/521964496.db2.gz DBZVRCDMZZZQQY-UHFFFAOYSA-N 2 2 280.387 2.274 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1OC ZINC000062803201 522336756 /nfs/dbraw/zinc/33/67/56/522336756.db2.gz MNCNGPAISHKISV-ZDUSSCGKSA-N 2 2 259.353 2.220 10 0 CEAELP C[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516771 522513408 /nfs/dbraw/zinc/51/34/08/522513408.db2.gz XUTFQXZTUUWYQQ-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP C[NH2+][C@](C)(CCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516771 522513413 /nfs/dbraw/zinc/51/34/13/522513413.db2.gz XUTFQXZTUUWYQQ-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP CCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000068649460 522590788 /nfs/dbraw/zinc/59/07/88/522590788.db2.gz FKFPPXUNMRVVNL-XHDPSFHLSA-N 2 2 279.384 2.080 10 0 CEAELP COCC1CC[NH+](CC[NH2+]CCc2ccsc2)CC1 ZINC000070083094 522932887 /nfs/dbraw/zinc/93/28/87/522932887.db2.gz IATNLGVOYFXLEU-UHFFFAOYSA-N 2 2 282.453 2.239 10 0 CEAELP CN(Cc1[nH+]ccn1C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811998 523594658 /nfs/dbraw/zinc/59/46/58/523594658.db2.gz FYEUWVHDPLOCCM-CYBMUJFWSA-N 2 2 284.363 2.298 10 0 CEAELP COC(=O)[C@](Cn1cc[nH+]c1C(C)C)([NH2+]C(C)C)C1CC1 ZINC000069191633 524005623 /nfs/dbraw/zinc/00/56/23/524005623.db2.gz MRHMMDCNJBOVDB-MRXNPFEDSA-N 2 2 293.411 2.326 10 0 CEAELP Cc1ccc(C[N@@H+](C)Cc2ccc[nH+]c2NN)cc1 ZINC000052724652 524394869 /nfs/dbraw/zinc/39/48/69/524394869.db2.gz DAPILACBTCKNKT-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP Cc1ccc(C[N@H+](C)Cc2ccc[nH+]c2NN)cc1 ZINC000052724652 524394874 /nfs/dbraw/zinc/39/48/74/524394874.db2.gz DAPILACBTCKNKT-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP c1cn([C@@H]2CCC[C@@H]2[NH2+][C@@H]2CCCSC2)c[nH+]1 ZINC000061587559 526537133 /nfs/dbraw/zinc/53/71/33/526537133.db2.gz HUQORIXRZAPBHY-FRRDWIJNSA-N 2 2 251.399 2.462 10 0 CEAELP Cc1[nH]c(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c[nH+]1 ZINC000054821824 526893298 /nfs/dbraw/zinc/89/32/98/526893298.db2.gz YUPLGYKZSNHICL-SECBINFHSA-N 2 2 259.309 2.298 10 0 CEAELP CC1(C)CCC(C[NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384720940 574842225 /nfs/dbraw/zinc/84/22/25/574842225.db2.gz NXTBGKVIUFUKPK-HNNXBMFYSA-N 2 2 268.445 2.249 10 0 CEAELP CC1(C)CCC(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384720940 574842226 /nfs/dbraw/zinc/84/22/26/574842226.db2.gz NXTBGKVIUFUKPK-HNNXBMFYSA-N 2 2 268.445 2.249 10 0 CEAELP Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H]3C)ccc2n1 ZINC000261579091 628941527 /nfs/dbraw/zinc/94/15/27/628941527.db2.gz DNONNLKSCZEPGE-SWLSCSKDSA-N 2 2 255.365 2.465 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H]3C)ccc2n1 ZINC000261579091 628941530 /nfs/dbraw/zinc/94/15/30/628941530.db2.gz DNONNLKSCZEPGE-SWLSCSKDSA-N 2 2 255.365 2.465 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077565 539248577 /nfs/dbraw/zinc/24/85/77/539248577.db2.gz DFFCPJQAXOJMIH-CWRNSKLLSA-N 2 2 266.429 2.289 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077565 539248578 /nfs/dbraw/zinc/24/85/78/539248578.db2.gz DFFCPJQAXOJMIH-CWRNSKLLSA-N 2 2 266.429 2.289 10 0 CEAELP [NH3+]CC1(c2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000038601398 343434438 /nfs/dbraw/zinc/43/44/38/343434438.db2.gz MJTFTLAAWVACGG-UHFFFAOYSA-N 2 2 274.408 2.289 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1Br ZINC000164865565 344473166 /nfs/dbraw/zinc/47/31/66/344473166.db2.gz YYJAQWLNHFPUOZ-LLVKDONJSA-N 2 2 257.175 2.319 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889070 344718517 /nfs/dbraw/zinc/71/85/17/344718517.db2.gz WXBWTYZZQOVURU-OCCSQVGLSA-N 2 2 275.421 2.199 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1=[NH+]CCS1 ZINC000306889070 344718520 /nfs/dbraw/zinc/71/85/20/344718520.db2.gz WXBWTYZZQOVURU-OCCSQVGLSA-N 2 2 275.421 2.199 10 0 CEAELP O[C@H](C[NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000584596058 344961209 /nfs/dbraw/zinc/96/12/09/344961209.db2.gz KRTCIHDCFGSTCH-QGZVFWFLSA-N 2 2 270.376 2.099 10 0 CEAELP C[C@](O)(C[NH3+])CCCn1cc[nH+]c1-c1ccccc1 ZINC000085304776 179011910 /nfs/dbraw/zinc/01/19/10/179011910.db2.gz KALYPJGMQHJUHI-OAHLLOKOSA-N 2 2 259.353 2.040 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000085398045 179050689 /nfs/dbraw/zinc/05/06/89/179050689.db2.gz OJIHYDFSHAORMQ-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000085398045 179050690 /nfs/dbraw/zinc/05/06/90/179050690.db2.gz OJIHYDFSHAORMQ-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085454509 179068226 /nfs/dbraw/zinc/06/82/26/179068226.db2.gz NVMNQRVSHBBHGI-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085454509 179068228 /nfs/dbraw/zinc/06/82/28/179068228.db2.gz NVMNQRVSHBBHGI-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@H]1C[NH2+][C@@H](CC)CN1CCCn1cc[nH+]c1 ZINC000085472546 179076949 /nfs/dbraw/zinc/07/69/49/179076949.db2.gz IJORBALVNYMIQS-GJZGRUSLSA-N 2 2 264.417 2.126 10 0 CEAELP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085512037 179085318 /nfs/dbraw/zinc/08/53/18/179085318.db2.gz BNQBETSOHBMWIE-DLBZAZTESA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085512037 179085320 /nfs/dbraw/zinc/08/53/20/179085320.db2.gz BNQBETSOHBMWIE-DLBZAZTESA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512268 179086222 /nfs/dbraw/zinc/08/62/22/179086222.db2.gz IRLAFZJSIIZGRP-XHSDSOJGSA-N 2 2 266.429 2.264 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085512268 179086223 /nfs/dbraw/zinc/08/62/23/179086223.db2.gz IRLAFZJSIIZGRP-XHSDSOJGSA-N 2 2 266.429 2.264 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@H]1CCOC1 ZINC000085498569 179083354 /nfs/dbraw/zinc/08/33/54/179083354.db2.gz NDDXZGSYZNZAKQ-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)C[N@H+]1C[C@H]1CCOC1 ZINC000085498569 179083356 /nfs/dbraw/zinc/08/33/56/179083356.db2.gz NDDXZGSYZNZAKQ-CYBMUJFWSA-N 2 2 252.402 2.020 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085498309 179083370 /nfs/dbraw/zinc/08/33/70/179083370.db2.gz MTUPSZGMCDEHLD-DZGCQCFKSA-N 2 2 264.413 2.020 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C1CC1 ZINC000085498309 179083372 /nfs/dbraw/zinc/08/33/72/179083372.db2.gz MTUPSZGMCDEHLD-DZGCQCFKSA-N 2 2 264.413 2.020 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085525762 179089642 /nfs/dbraw/zinc/08/96/42/179089642.db2.gz ARAOPLOYGNMAEX-DLBZAZTESA-N 2 2 290.455 2.290 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609770 179101754 /nfs/dbraw/zinc/10/17/54/179101754.db2.gz JWNTWWGZJOZOIE-UKRRQHHQSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085609770 179101757 /nfs/dbraw/zinc/10/17/57/179101757.db2.gz JWNTWWGZJOZOIE-UKRRQHHQSA-N 2 2 254.418 2.123 10 0 CEAELP COc1ccc(C[N@@H+]2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619940 179105426 /nfs/dbraw/zinc/10/54/26/179105426.db2.gz USVRYKULQCJEDO-OLZOCXBDSA-N 2 2 278.396 2.276 10 0 CEAELP COc1ccc(C[N@H+]2C[C@@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619940 179105428 /nfs/dbraw/zinc/10/54/28/179105428.db2.gz USVRYKULQCJEDO-OLZOCXBDSA-N 2 2 278.396 2.276 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1cc(F)ccc1Br ZINC000085798101 179172898 /nfs/dbraw/zinc/17/28/98/179172898.db2.gz XKIKSRSJMNJACD-SNVBAGLBSA-N 2 2 275.165 2.020 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000085797884 179172999 /nfs/dbraw/zinc/17/29/99/179172999.db2.gz LFSDVUYRAIZSKH-JTQLQIEISA-N 2 2 275.165 2.020 10 0 CEAELP CC[C@H](C)[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175569 179245973 /nfs/dbraw/zinc/24/59/73/179245973.db2.gz BQYYNBVYBDMJBW-KKUMJFAQSA-N 2 2 278.444 2.265 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289952 179264666 /nfs/dbraw/zinc/26/46/66/179264666.db2.gz YHXVIHYQLGILLT-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289952 179264667 /nfs/dbraw/zinc/26/46/67/179264667.db2.gz YHXVIHYQLGILLT-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CC[N@@H+]1CC[C@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179265003 /nfs/dbraw/zinc/26/50/03/179265003.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP CC[N@H+]1CC[C@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179265004 /nfs/dbraw/zinc/26/50/04/179265004.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP CC[NH+]1CC[C@H](C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179265006 /nfs/dbraw/zinc/26/50/06/179265006.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP CC[NH+]1CC[C@H](C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179265007 /nfs/dbraw/zinc/26/50/07/179265007.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086291543 179266148 /nfs/dbraw/zinc/26/61/48/179266148.db2.gz SGLDCSZXGAPRDS-INIZCTEOSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086291543 179266150 /nfs/dbraw/zinc/26/61/50/179266150.db2.gz SGLDCSZXGAPRDS-INIZCTEOSA-N 3 2 267.461 2.038 10 0 CEAELP CCC1(CC)C[N@H+](C[C@H]2CCCOC2)CCC[NH2+]1 ZINC000086292524 179266165 /nfs/dbraw/zinc/26/61/65/179266165.db2.gz SEFNFBOMMHFBNF-CQSZACIVSA-N 2 2 254.418 2.267 10 0 CEAELP CCC1(CC)C[N@@H+](C[C@H]2CCCOC2)CCC[NH2+]1 ZINC000086292524 179266167 /nfs/dbraw/zinc/26/61/67/179266167.db2.gz SEFNFBOMMHFBNF-CQSZACIVSA-N 2 2 254.418 2.267 10 0 CEAELP CC(C)[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295890 179267932 /nfs/dbraw/zinc/26/79/32/179267932.db2.gz ZRTXIEQBYXULCJ-CQSZACIVSA-N 2 2 276.380 2.235 10 0 CEAELP CC(C)[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295890 179267935 /nfs/dbraw/zinc/26/79/35/179267935.db2.gz ZRTXIEQBYXULCJ-CQSZACIVSA-N 2 2 276.380 2.235 10 0 CEAELP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086297159 179268143 /nfs/dbraw/zinc/26/81/43/179268143.db2.gz AOBSSAPMUOOUKS-GFCCVEGCSA-N 2 2 251.399 2.025 10 0 CEAELP Cc1ncsc1C[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000086297159 179268145 /nfs/dbraw/zinc/26/81/45/179268145.db2.gz AOBSSAPMUOOUKS-GFCCVEGCSA-N 2 2 251.399 2.025 10 0 CEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)cs1 ZINC000086333653 179273696 /nfs/dbraw/zinc/27/36/96/179273696.db2.gz UBDZKKQWWIWTLS-LNLATYFQSA-N 2 2 256.802 2.441 10 0 CEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)cs1 ZINC000086333653 179273698 /nfs/dbraw/zinc/27/36/98/179273698.db2.gz UBDZKKQWWIWTLS-LNLATYFQSA-N 2 2 256.802 2.441 10 0 CEAELP CC1(C)Cc2cc(C[NH2+]CCc3c[nH]c[nH+]3)ccc2O1 ZINC000086507122 179302969 /nfs/dbraw/zinc/30/29/69/179302969.db2.gz GPYKZYLQSUUKHX-UHFFFAOYSA-N 2 2 271.364 2.456 10 0 CEAELP CC1(C)Cc2cc(C[NH2+]CCc3c[nH+]c[nH]3)ccc2O1 ZINC000086507122 179302970 /nfs/dbraw/zinc/30/29/70/179302970.db2.gz GPYKZYLQSUUKHX-UHFFFAOYSA-N 2 2 271.364 2.456 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1Cl ZINC000086586531 179310458 /nfs/dbraw/zinc/31/04/58/179310458.db2.gz KQFRYPKYSZASIY-CQSZACIVSA-N 2 2 298.814 2.459 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1Cl ZINC000086586531 179310461 /nfs/dbraw/zinc/31/04/61/179310461.db2.gz KQFRYPKYSZASIY-CQSZACIVSA-N 2 2 298.814 2.459 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594968 179310722 /nfs/dbraw/zinc/31/07/22/179310722.db2.gz RGRCYRRCRMAJCU-CYBMUJFWSA-N 2 2 286.803 2.317 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594968 179310724 /nfs/dbraw/zinc/31/07/24/179310724.db2.gz RGRCYRRCRMAJCU-CYBMUJFWSA-N 2 2 286.803 2.317 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1cc(F)cc(Br)c1 ZINC000086696406 179320526 /nfs/dbraw/zinc/32/05/26/179320526.db2.gz RCERJYPCVRQNEF-NSHDSACASA-N 2 2 275.165 2.020 10 0 CEAELP C[N@H+](CCC(N)=[NH2+])Cc1cc(F)cc(Br)c1 ZINC000086694780 179320558 /nfs/dbraw/zinc/32/05/58/179320558.db2.gz WQADQAFQOBRRPH-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP C[N@@H+](CCC(N)=[NH2+])Cc1cc(F)cc(Br)c1 ZINC000086694780 179320559 /nfs/dbraw/zinc/32/05/59/179320559.db2.gz WQADQAFQOBRRPH-UHFFFAOYSA-N 2 2 288.164 2.346 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817433 179344592 /nfs/dbraw/zinc/34/45/92/179344592.db2.gz AAABTIGNWLUIFL-HZPDHXFCSA-N 3 2 269.477 2.427 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817433 179344593 /nfs/dbraw/zinc/34/45/93/179344593.db2.gz AAABTIGNWLUIFL-HZPDHXFCSA-N 3 2 269.477 2.427 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)cc1F ZINC000086983666 179373704 /nfs/dbraw/zinc/37/37/04/179373704.db2.gz LDZMWYQHHPQNTF-MFKMUULPSA-N 2 2 252.333 2.176 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)cc1F ZINC000086983666 179373705 /nfs/dbraw/zinc/37/37/05/179373705.db2.gz LDZMWYQHHPQNTF-MFKMUULPSA-N 2 2 252.333 2.176 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cncc3ccccc32)CC1 ZINC000616608720 348533746 /nfs/dbraw/zinc/53/37/46/348533746.db2.gz BQGQHDKOTYNLIB-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2[nH+]1 ZINC000089453833 539716738 /nfs/dbraw/zinc/71/67/38/539716738.db2.gz HBSCYGNIFKCGPP-CMPLNLGQSA-N 2 2 272.352 2.185 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000089451773 539717290 /nfs/dbraw/zinc/71/72/90/539717290.db2.gz MQCRNMOCXQJLCA-SWLSCSKDSA-N 2 2 284.363 2.186 10 0 CEAELP COC(C[C@H](C[NH3+])[N@H+](Cc1cccs1)C1CC1)OC ZINC000090625185 180016055 /nfs/dbraw/zinc/01/60/55/180016055.db2.gz NARUFHUQLXKFLT-GFCCVEGCSA-N 2 2 284.425 2.049 10 0 CEAELP COC(C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C1CC1)OC ZINC000090625185 180016062 /nfs/dbraw/zinc/01/60/62/180016062.db2.gz NARUFHUQLXKFLT-GFCCVEGCSA-N 2 2 284.425 2.049 10 0 CEAELP C[NH2+][C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873650 180049823 /nfs/dbraw/zinc/04/98/23/180049823.db2.gz YSLNCWZSWQCZKY-VNQPRFMTSA-N 2 2 274.408 2.453 10 0 CEAELP C[NH2+][C@H](C)[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873650 180049825 /nfs/dbraw/zinc/04/98/25/180049825.db2.gz YSLNCWZSWQCZKY-VNQPRFMTSA-N 2 2 274.408 2.453 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874394 180049935 /nfs/dbraw/zinc/04/99/35/180049935.db2.gz MMMXMLVIMGSOSF-ZFWWWQNUSA-N 2 2 260.381 2.064 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907970 180061712 /nfs/dbraw/zinc/06/17/12/180061712.db2.gz HJWFKJPUFOZDCQ-OKILXGFUSA-N 2 2 264.369 2.141 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907970 180061713 /nfs/dbraw/zinc/06/17/13/180061713.db2.gz HJWFKJPUFOZDCQ-OKILXGFUSA-N 2 2 264.369 2.141 10 0 CEAELP FC(F)n1cc[nH+]c1Cn1cccc1C[NH2+]C1CC1 ZINC000091001526 180083553 /nfs/dbraw/zinc/08/35/53/180083553.db2.gz BNQSBJOLKDOBFP-UHFFFAOYSA-N 2 2 266.295 2.380 10 0 CEAELP CC(C)CCN(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276345 180120119 /nfs/dbraw/zinc/12/01/19/180120119.db2.gz XJWFNBWFKWIUMH-ZDUSSCGKSA-N 2 2 250.390 2.196 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091277037 180120576 /nfs/dbraw/zinc/12/05/76/180120576.db2.gz PXILTZNXQFYJOZ-JKSUJKDBSA-N 2 2 274.412 2.325 10 0 CEAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091462846 180162065 /nfs/dbraw/zinc/16/20/65/180162065.db2.gz ZVWZWXOXNAWALJ-YWPUVAFDSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccsc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091462846 180162067 /nfs/dbraw/zinc/16/20/67/180162067.db2.gz ZVWZWXOXNAWALJ-YWPUVAFDSA-N 2 2 268.426 2.148 10 0 CEAELP CCCn1ncnc1C[C@H]([NH2+]C)C(C)(C)[NH+]1CCCCC1 ZINC000091564968 180193399 /nfs/dbraw/zinc/19/33/99/180193399.db2.gz AMGJRGCBCGBITD-AWEZNQCLSA-N 2 2 293.459 2.083 10 0 CEAELP CC[C@](C)([C@@H](O)c1c(C)cc[nH+]c1N)[NH+]1CCCC1 ZINC000091602532 180203426 /nfs/dbraw/zinc/20/34/26/180203426.db2.gz OEMNMMPXWVSTMG-DZGCQCFKSA-N 2 2 263.385 2.270 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCC1 ZINC000091609047 180205847 /nfs/dbraw/zinc/20/58/47/180205847.db2.gz LSSQHKXFLOOOAX-HOTGVXAUSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609047 180205849 /nfs/dbraw/zinc/20/58/49/180205849.db2.gz LSSQHKXFLOOOAX-HOTGVXAUSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@H](C)n1ccc(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528391 180179467 /nfs/dbraw/zinc/17/94/67/180179467.db2.gz IFNPDIBCMLUGQE-DGCLKSJQSA-N 2 2 252.406 2.064 10 0 CEAELP CCn1nc(C)c(Cl)c1C[C@H]([NH2+]C)C(C)(C)[NH+](C)C ZINC000091528738 180180426 /nfs/dbraw/zinc/18/04/26/180180426.db2.gz GHBOLGUVQOYFSK-LBPRGKRZSA-N 2 2 286.851 2.336 10 0 CEAELP COc1c(C)c[nH+]c(C[C@H](O)C(C)(C)[NH+]2CCCC2)c1C ZINC000091532957 180181720 /nfs/dbraw/zinc/18/17/20/180181720.db2.gz UWNHOCAHYWKBQW-HNNXBMFYSA-N 2 2 292.423 2.485 10 0 CEAELP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCC1 ZINC000091638302 180212579 /nfs/dbraw/zinc/21/25/79/180212579.db2.gz JTSCWUKCDVIQCO-MRXNPFEDSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)CC[C@@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000091715721 180232171 /nfs/dbraw/zinc/23/21/71/180232171.db2.gz MJNUGWGQQANNOX-CQSZACIVSA-N 3 2 279.428 2.309 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721829 180239640 /nfs/dbraw/zinc/23/96/40/180239640.db2.gz PMVKATOJQIWMPO-UHOFOFEASA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721829 180239641 /nfs/dbraw/zinc/23/96/41/180239641.db2.gz PMVKATOJQIWMPO-UHOFOFEASA-N 2 2 296.361 2.479 10 0 CEAELP CC1CCC(C[NH3+])([C@@H](O)c2c[nH+]cn2C2CC2)CC1 ZINC000091926648 180287537 /nfs/dbraw/zinc/28/75/37/180287537.db2.gz KMRFHZGCRCNSIE-WPBUFGDCSA-N 2 2 263.385 2.407 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCCCC1 ZINC000091926343 180287094 /nfs/dbraw/zinc/28/70/94/180287094.db2.gz JIRPVKRJSQJBMA-CYBMUJFWSA-N 2 2 251.374 2.236 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052765 180312908 /nfs/dbraw/zinc/31/29/08/180312908.db2.gz CYHZZSCZQCBZGT-NRXISQOPSA-N 2 2 254.418 2.123 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000092052765 180312909 /nfs/dbraw/zinc/31/29/09/180312909.db2.gz CYHZZSCZQCBZGT-NRXISQOPSA-N 2 2 254.418 2.123 10 0 CEAELP CCCN(C[C@H]1C[N@H+](CC)CCO1)C1(C[NH3+])CCCCC1 ZINC000092051547 180313196 /nfs/dbraw/zinc/31/31/96/180313196.db2.gz KVYIXSGBLPAKRC-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP CCCN(C[C@H]1C[N@@H+](CC)CCO1)C1(C[NH3+])CCCCC1 ZINC000092051547 180313198 /nfs/dbraw/zinc/31/31/98/180313198.db2.gz KVYIXSGBLPAKRC-MRXNPFEDSA-N 2 2 297.487 2.081 10 0 CEAELP c1cn(CC[NH2+]C[C@H]2Cc3ccccc3S2)c[nH+]1 ZINC000092243077 180351748 /nfs/dbraw/zinc/35/17/48/180351748.db2.gz BCMBWGIJWBDVSE-CYBMUJFWSA-N 2 2 259.378 2.190 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[NH2+]CCC[NH+]1CCOCC1)S2 ZINC000092242467 180351867 /nfs/dbraw/zinc/35/18/67/180351867.db2.gz ROMXVQDOBNCBRD-HNNXBMFYSA-N 2 2 292.448 2.015 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299358 180358888 /nfs/dbraw/zinc/35/88/88/180358888.db2.gz SPEIRVXMIUJALG-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299358 180358889 /nfs/dbraw/zinc/35/88/89/180358889.db2.gz SPEIRVXMIUJALG-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000092342612 180366673 /nfs/dbraw/zinc/36/66/73/180366673.db2.gz LZLSVYPCHCWVFE-OAHLLOKOSA-N 2 2 263.385 2.255 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000092342612 180366675 /nfs/dbraw/zinc/36/66/75/180366675.db2.gz LZLSVYPCHCWVFE-OAHLLOKOSA-N 2 2 263.385 2.255 10 0 CEAELP CCNc1cccc(CN2CCC[C@H]2C[NH+](C)C)[nH+]1 ZINC000092370291 180370009 /nfs/dbraw/zinc/37/00/09/180370009.db2.gz QJOPRJXFGCFRNC-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN2CCC([NH+](C)C)CC2)[nH+]1 ZINC000092368409 180370286 /nfs/dbraw/zinc/37/02/86/180370286.db2.gz GEGRKACVNAIATM-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417394 180381144 /nfs/dbraw/zinc/38/11/44/180381144.db2.gz ZSBHVMKWNMMUCF-DDTOSNHZSA-N 2 2 265.788 2.165 10 0 CEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417394 180381146 /nfs/dbraw/zinc/38/11/46/180381146.db2.gz ZSBHVMKWNMMUCF-DDTOSNHZSA-N 2 2 265.788 2.165 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@H]([NH3+])C3)cc1 ZINC000107827621 186194099 /nfs/dbraw/zinc/19/40/99/186194099.db2.gz NOXGJMYEZJTFPH-PWSUYJOCSA-N 2 2 257.337 2.393 10 0 CEAELP CCC[NH2+][C@H]1C(=O)Nc2cc(-n3c[nH+]c(C)c3C)ccc21 ZINC000109573177 186264059 /nfs/dbraw/zinc/26/40/59/186264059.db2.gz UTAWKUCBQMCHSD-OAHLLOKOSA-N 2 2 284.363 2.482 10 0 CEAELP Cc1[nH+]cn(-c2cc(C[NH3+])nc3ccccc32)c1C ZINC000109589821 186264780 /nfs/dbraw/zinc/26/47/80/186264780.db2.gz CJUUSVWFAXGGSK-UHFFFAOYSA-N 2 2 252.321 2.496 10 0 CEAELP C[C@@H]([NH3+])C1CC[NH+](Cc2noc(-c3cccs3)n2)CC1 ZINC000110649223 186310305 /nfs/dbraw/zinc/31/03/05/186310305.db2.gz XGCDYCDDTQSLGO-SNVBAGLBSA-N 2 2 292.408 2.357 10 0 CEAELP CCC[C@](C)(C[NH2+]C)C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110747088 186319720 /nfs/dbraw/zinc/31/97/20/186319720.db2.gz FKEVJRBTIPFYLU-OAHLLOKOSA-N 2 2 255.450 2.038 10 0 CEAELP CCC[C@](C)(C[NH2+]C)C[N@H+]1CCN(C)C(C)(C)C1 ZINC000110747088 186319721 /nfs/dbraw/zinc/31/97/21/186319721.db2.gz FKEVJRBTIPFYLU-OAHLLOKOSA-N 2 2 255.450 2.038 10 0 CEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157638 186361653 /nfs/dbraw/zinc/36/16/53/186361653.db2.gz COQMCGRJGMAFIR-SOUVJXGZSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157638 186361654 /nfs/dbraw/zinc/36/16/54/186361654.db2.gz COQMCGRJGMAFIR-SOUVJXGZSA-N 2 2 254.418 2.252 10 0 CEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157787 186361725 /nfs/dbraw/zinc/36/17/25/186361725.db2.gz FKPUCARVXKKFPH-ABAIWWIYSA-N 2 2 284.350 2.323 10 0 CEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157787 186361726 /nfs/dbraw/zinc/36/17/26/186361726.db2.gz FKPUCARVXKKFPH-ABAIWWIYSA-N 2 2 284.350 2.323 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000111158155 186362471 /nfs/dbraw/zinc/36/24/71/186362471.db2.gz PVWQWKTZIGRYHY-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000111158155 186362472 /nfs/dbraw/zinc/36/24/72/186362472.db2.gz PVWQWKTZIGRYHY-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC000111147612 186358968 /nfs/dbraw/zinc/35/89/68/186358968.db2.gz PJAZAMDBZDRCOR-UHFFFAOYSA-N 3 2 257.466 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC000111147612 186358969 /nfs/dbraw/zinc/35/89/69/186358969.db2.gz PJAZAMDBZDRCOR-UHFFFAOYSA-N 3 2 257.466 2.142 10 0 CEAELP CC(C)Oc1ccc([C@@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143743 186358993 /nfs/dbraw/zinc/35/89/93/186358993.db2.gz MMZSYETVSQGMLX-KRWDZBQOSA-N 2 2 294.439 2.391 10 0 CEAELP CC(C)Oc1ccc([C@@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143743 186358994 /nfs/dbraw/zinc/35/89/94/186358994.db2.gz MMZSYETVSQGMLX-KRWDZBQOSA-N 2 2 294.439 2.391 10 0 CEAELP C[C@H]([NH3+])Cc1cc(F)c(N(C)Cc2[nH+]ccn2C)c(F)c1 ZINC000111500150 186424586 /nfs/dbraw/zinc/42/45/86/186424586.db2.gz RLRCPYGTGAHMCO-JTQLQIEISA-N 2 2 294.349 2.224 10 0 CEAELP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070455854 363085061 /nfs/dbraw/zinc/08/50/61/363085061.db2.gz QIFAKJNJKYICRN-CYBMUJFWSA-N 2 2 298.390 2.252 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364816 351712997 /nfs/dbraw/zinc/71/29/97/351712997.db2.gz WCEBKNFAEVKZPC-JKSUJKDBSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2cc(C)cc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364816 351712999 /nfs/dbraw/zinc/71/29/99/351712999.db2.gz WCEBKNFAEVKZPC-JKSUJKDBSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368075 351714448 /nfs/dbraw/zinc/71/44/48/351714448.db2.gz QFAPNOAWXVWYBJ-LSDHHAIUSA-N 2 2 266.360 2.072 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2cc(F)ccc2C)[C@@](C)(C[NH3+])C1 ZINC000630368075 351714451 /nfs/dbraw/zinc/71/44/51/351714451.db2.gz QFAPNOAWXVWYBJ-LSDHHAIUSA-N 2 2 266.360 2.072 10 0 CEAELP C[NH2+]CCOCCN(C)c1[nH+]c2ccccc2cc1C ZINC000630528291 351773920 /nfs/dbraw/zinc/77/39/20/351773920.db2.gz FEIYRKOUKXJCGI-UHFFFAOYSA-N 2 2 273.380 2.215 10 0 CEAELP C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)[C@H]1C[NH3+] ZINC000252094058 539998123 /nfs/dbraw/zinc/99/81/23/539998123.db2.gz FDGHPOQDFCJHHJ-RISCZKNCSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310567979 540344531 /nfs/dbraw/zinc/34/45/31/540344531.db2.gz YIGXGRRADSJPPT-VHSXEESVSA-N 2 2 276.833 2.365 10 0 CEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310567979 540344534 /nfs/dbraw/zinc/34/45/34/540344534.db2.gz YIGXGRRADSJPPT-VHSXEESVSA-N 2 2 276.833 2.365 10 0 CEAELP CCC[N@@H+]1CC[C@@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952542 540646567 /nfs/dbraw/zinc/64/65/67/540646567.db2.gz AHNDTSKCLBINEH-CJNGLKHVSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952542 540646572 /nfs/dbraw/zinc/64/65/72/540646572.db2.gz AHNDTSKCLBINEH-CJNGLKHVSA-N 2 2 297.443 2.199 10 0 CEAELP COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151282514 366636350 /nfs/dbraw/zinc/63/63/50/366636350.db2.gz HYHYPHXRUYUANA-LSDHHAIUSA-N 2 2 292.423 2.193 10 0 CEAELP c1cnn(CC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000180125360 189238228 /nfs/dbraw/zinc/23/82/28/189238228.db2.gz XJSIWTUIGGCXOU-UHFFFAOYSA-N 2 2 295.390 2.443 10 0 CEAELP Cc1ccc(CCC[N@@H+]2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181854003 189308571 /nfs/dbraw/zinc/30/85/71/189308571.db2.gz BMRBELHDZVUZQE-QGZVFWFLSA-N 2 2 276.424 2.190 10 0 CEAELP Cc1ccc(CCC[N@H+]2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000181854003 189308572 /nfs/dbraw/zinc/30/85/72/189308572.db2.gz BMRBELHDZVUZQE-QGZVFWFLSA-N 2 2 276.424 2.190 10 0 CEAELP Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781440 366790602 /nfs/dbraw/zinc/79/06/02/366790602.db2.gz YRLVQAJCRQFJIU-OLZOCXBDSA-N 2 2 278.400 2.039 10 0 CEAELP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(C(C)C)[nH+]1 ZINC000154781440 366790604 /nfs/dbraw/zinc/79/06/04/366790604.db2.gz YRLVQAJCRQFJIU-OLZOCXBDSA-N 2 2 278.400 2.039 10 0 CEAELP C[NH2+]CCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000237195954 370698942 /nfs/dbraw/zinc/69/89/42/370698942.db2.gz WCLMTKQGYGBHQQ-ZDUSSCGKSA-N 2 2 286.379 2.049 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000631840947 367581851 /nfs/dbraw/zinc/58/18/51/367581851.db2.gz WTKMFELXRDHGCH-WDEREUQCSA-N 2 2 253.415 2.122 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000631840947 367581857 /nfs/dbraw/zinc/58/18/57/367581857.db2.gz WTKMFELXRDHGCH-WDEREUQCSA-N 2 2 253.415 2.122 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000186575273 368998633 /nfs/dbraw/zinc/99/86/33/368998633.db2.gz QZXJZCGLVOPUDN-SJORKVTESA-N 2 2 294.414 2.366 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000186575273 368998638 /nfs/dbraw/zinc/99/86/38/368998638.db2.gz QZXJZCGLVOPUDN-SJORKVTESA-N 2 2 294.414 2.366 10 0 CEAELP Cc1n[nH]cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190472327 369627628 /nfs/dbraw/zinc/62/76/28/369627628.db2.gz OTSFDYDWBBPGFH-MRXNPFEDSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190472327 369627631 /nfs/dbraw/zinc/62/76/31/369627631.db2.gz OTSFDYDWBBPGFH-MRXNPFEDSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190472327 369627634 /nfs/dbraw/zinc/62/76/34/369627634.db2.gz OTSFDYDWBBPGFH-MRXNPFEDSA-N 2 2 299.422 2.067 10 0 CEAELP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190472327 369627638 /nfs/dbraw/zinc/62/76/38/369627638.db2.gz OTSFDYDWBBPGFH-MRXNPFEDSA-N 2 2 299.422 2.067 10 0 CEAELP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247455900 371110455 /nfs/dbraw/zinc/11/04/55/371110455.db2.gz ZWSOMUCAZAZOAG-KBPBESRZSA-N 2 2 291.395 2.075 10 0 CEAELP CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247455900 371110461 /nfs/dbraw/zinc/11/04/61/371110461.db2.gz ZWSOMUCAZAZOAG-KBPBESRZSA-N 2 2 291.395 2.075 10 0 CEAELP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000250640351 371387796 /nfs/dbraw/zinc/38/77/96/371387796.db2.gz DTPDONVPOCFPCU-FGTMMUONSA-N 2 2 288.435 2.402 10 0 CEAELP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000250640351 371387799 /nfs/dbraw/zinc/38/77/99/371387799.db2.gz DTPDONVPOCFPCU-FGTMMUONSA-N 2 2 288.435 2.402 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078349 371819625 /nfs/dbraw/zinc/81/96/25/371819625.db2.gz SVIHKSMKVRZBTG-COXVUDFISA-N 2 2 290.407 2.023 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078349 371819628 /nfs/dbraw/zinc/81/96/28/371819628.db2.gz SVIHKSMKVRZBTG-COXVUDFISA-N 2 2 290.407 2.023 10 0 CEAELP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1OC ZINC000389444845 375304340 /nfs/dbraw/zinc/30/43/40/375304340.db2.gz OUJFXBTZIJGOSP-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000389444845 375304344 /nfs/dbraw/zinc/30/43/44/375304344.db2.gz OUJFXBTZIJGOSP-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745996 207006480 /nfs/dbraw/zinc/00/64/80/207006480.db2.gz MPQAZLFHWUGFLI-XJKSGUPXSA-N 2 2 271.364 2.075 10 0 CEAELP C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745996 207006485 /nfs/dbraw/zinc/00/64/85/207006485.db2.gz MPQAZLFHWUGFLI-XJKSGUPXSA-N 2 2 271.364 2.075 10 0 CEAELP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000093515532 184686614 /nfs/dbraw/zinc/68/66/14/184686614.db2.gz HVPILNOIXDTSGV-RDBSUJKOSA-N 2 2 291.443 2.186 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744670 285314164 /nfs/dbraw/zinc/31/41/64/285314164.db2.gz UCNMLDLPQJEYAF-IAOVAPTHSA-N 2 2 289.423 2.312 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744670 285314166 /nfs/dbraw/zinc/31/41/66/285314166.db2.gz UCNMLDLPQJEYAF-IAOVAPTHSA-N 2 2 289.423 2.312 10 0 CEAELP CCc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000088760614 135056923 /nfs/dbraw/zinc/05/69/23/135056923.db2.gz WYPJXWMLKUZZOZ-LSDHHAIUSA-N 2 2 274.412 2.458 10 0 CEAELP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261644321 153799281 /nfs/dbraw/zinc/79/92/81/153799281.db2.gz ANDXWFSJNSNIJT-GHJWDPDVSA-N 2 2 296.361 2.072 10 0 CEAELP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261644321 153799285 /nfs/dbraw/zinc/79/92/85/153799285.db2.gz ANDXWFSJNSNIJT-GHJWDPDVSA-N 2 2 296.361 2.072 10 0 CEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261660684 153802198 /nfs/dbraw/zinc/80/21/98/153802198.db2.gz FSFJTCBWKLRLTM-RBSFLKMASA-N 2 2 295.471 2.225 10 0 CEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261660684 153802203 /nfs/dbraw/zinc/80/22/03/153802203.db2.gz FSFJTCBWKLRLTM-RBSFLKMASA-N 2 2 295.471 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[NH+]1CCCCC1 ZINC000178336050 165234942 /nfs/dbraw/zinc/23/49/42/165234942.db2.gz BJZWDCKDPUDURO-INIZCTEOSA-N 2 2 276.428 2.142 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000178336050 165234948 /nfs/dbraw/zinc/23/49/48/165234948.db2.gz BJZWDCKDPUDURO-INIZCTEOSA-N 2 2 276.428 2.142 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1CCCCC1 ZINC000178336050 165234953 /nfs/dbraw/zinc/23/49/53/165234953.db2.gz BJZWDCKDPUDURO-INIZCTEOSA-N 2 2 276.428 2.142 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020226465 171092114 /nfs/dbraw/zinc/09/21/14/171092114.db2.gz ZIBKGIVNURRVKX-AWEZNQCLSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020226465 171092115 /nfs/dbraw/zinc/09/21/15/171092115.db2.gz ZIBKGIVNURRVKX-AWEZNQCLSA-N 2 2 264.369 2.045 10 0 CEAELP C[NH+](C)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020273978 171130644 /nfs/dbraw/zinc/13/06/44/171130644.db2.gz DFYVDLMJSDMNMG-NSHDSACASA-N 2 2 257.175 2.401 10 0 CEAELP Cc1nc2sccn2c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320194 173119977 /nfs/dbraw/zinc/11/99/77/173119977.db2.gz QJCRHOFCDFNMSW-JTQLQIEISA-N 2 2 275.381 2.079 10 0 CEAELP Cc1ncsc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320429 173121132 /nfs/dbraw/zinc/12/11/32/173121132.db2.gz OVVABXQZEJGNEZ-KOLCDFICSA-N 2 2 250.371 2.387 10 0 CEAELP CC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052090 174063356 /nfs/dbraw/zinc/06/33/56/174063356.db2.gz NJWQJUHWCNDORM-NSHDSACASA-N 2 2 287.201 2.409 10 0 CEAELP CC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000038052090 174063357 /nfs/dbraw/zinc/06/33/57/174063357.db2.gz NJWQJUHWCNDORM-NSHDSACASA-N 2 2 287.201 2.409 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cc1OC ZINC000040638843 174362800 /nfs/dbraw/zinc/36/28/00/174362800.db2.gz QDAKBVDMOFYJHG-GFCCVEGCSA-N 2 2 289.379 2.331 10 0 CEAELP COc1ccccc1[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040638673 174363081 /nfs/dbraw/zinc/36/30/81/174363081.db2.gz LIFWYIMXKFCRDD-LBPRGKRZSA-N 2 2 259.353 2.322 10 0 CEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000042967030 174930838 /nfs/dbraw/zinc/93/08/38/174930838.db2.gz RQRRIJMWCNASFL-VNQPRFMTSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000042967030 174930840 /nfs/dbraw/zinc/93/08/40/174930840.db2.gz RQRRIJMWCNASFL-VNQPRFMTSA-N 2 2 262.397 2.494 10 0 CEAELP CCOC1CCC([NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000657844251 415101926 /nfs/dbraw/zinc/10/19/26/415101926.db2.gz HTQZWZXEKBRFDC-SHARSMKWSA-N 2 2 254.418 2.408 10 0 CEAELP CCOC1CCC([NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000657844251 415101931 /nfs/dbraw/zinc/10/19/31/415101931.db2.gz HTQZWZXEKBRFDC-SHARSMKWSA-N 2 2 254.418 2.408 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@H](C[NH3+])c1ccccn1 ZINC000043341348 175015286 /nfs/dbraw/zinc/01/52/86/175015286.db2.gz HNLWHFKRBPNWHQ-OAHLLOKOSA-N 2 2 252.321 2.288 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043346278 175017425 /nfs/dbraw/zinc/01/74/25/175017425.db2.gz MNAQZUJGKLHILI-RDBSUJKOSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043346278 175017427 /nfs/dbraw/zinc/01/74/27/175017427.db2.gz MNAQZUJGKLHILI-RDBSUJKOSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353860 175020851 /nfs/dbraw/zinc/02/08/51/175020851.db2.gz JUMIUHHLGQIDCC-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353860 175020853 /nfs/dbraw/zinc/02/08/53/175020853.db2.gz JUMIUHHLGQIDCC-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CO ZINC000043364605 175025427 /nfs/dbraw/zinc/02/54/27/175025427.db2.gz AXYMCMYNCZYNJJ-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CO ZINC000043364605 175025429 /nfs/dbraw/zinc/02/54/29/175025429.db2.gz AXYMCMYNCZYNJJ-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000043365182 175026266 /nfs/dbraw/zinc/02/62/66/175026266.db2.gz IAAAJZJVDXFJHK-ZDUSSCGKSA-N 2 2 254.374 2.071 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000043365182 175026267 /nfs/dbraw/zinc/02/62/67/175026267.db2.gz IAAAJZJVDXFJHK-ZDUSSCGKSA-N 2 2 254.374 2.071 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365185 175026513 /nfs/dbraw/zinc/02/65/13/175026513.db2.gz SOZSNDYPSOSENY-DOMZBBRYSA-N 2 2 268.401 2.459 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365185 175026514 /nfs/dbraw/zinc/02/65/14/175026514.db2.gz SOZSNDYPSOSENY-DOMZBBRYSA-N 2 2 268.401 2.459 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000043364993 175026666 /nfs/dbraw/zinc/02/66/66/175026666.db2.gz XNOZTNDECAAUNH-BBRMVZONSA-N 3 2 279.428 2.250 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C1CCCCC1 ZINC000043815167 175111697 /nfs/dbraw/zinc/11/16/97/175111697.db2.gz AIBCGADYUOPFDG-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C1CCCCC1 ZINC000043815167 175111699 /nfs/dbraw/zinc/11/16/99/175111699.db2.gz AIBCGADYUOPFDG-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H](C)CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817759 175112918 /nfs/dbraw/zinc/11/29/18/175112918.db2.gz ZDSPBUPNJGACEG-ZDUSSCGKSA-N 2 2 292.423 2.450 10 0 CEAELP CC[NH2+][C@@H](C)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000043817759 175112919 /nfs/dbraw/zinc/11/29/19/175112919.db2.gz ZDSPBUPNJGACEG-ZDUSSCGKSA-N 2 2 292.423 2.450 10 0 CEAELP C[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819731 175113810 /nfs/dbraw/zinc/11/38/10/175113810.db2.gz FIVCQDKKCHYDND-QZTJIDSGSA-N 2 2 288.435 2.318 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CCCC[C@@H]1CC ZINC000043883517 175116262 /nfs/dbraw/zinc/11/62/62/175116262.db2.gz DNFNFMKZNLLRMN-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+]1CCCC[C@@H]1CC ZINC000043883517 175116263 /nfs/dbraw/zinc/11/62/63/175116263.db2.gz DNFNFMKZNLLRMN-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916103 175125228 /nfs/dbraw/zinc/12/52/28/175125228.db2.gz OFBMCYCVXLJYMG-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916103 175125230 /nfs/dbraw/zinc/12/52/30/175125230.db2.gz OFBMCYCVXLJYMG-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043916965 175125739 /nfs/dbraw/zinc/12/57/39/175125739.db2.gz IOAFOMBJAMQEEH-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043916965 175125740 /nfs/dbraw/zinc/12/57/40/175125740.db2.gz IOAFOMBJAMQEEH-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965769 175127307 /nfs/dbraw/zinc/12/73/07/175127307.db2.gz PWRBYDVJNCEWNN-VNQPRFMTSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965769 175127309 /nfs/dbraw/zinc/12/73/09/175127309.db2.gz PWRBYDVJNCEWNN-VNQPRFMTSA-N 2 2 262.397 2.446 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966042 175127453 /nfs/dbraw/zinc/12/74/53/175127453.db2.gz NSCVOAMHKJVSIA-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966042 175127455 /nfs/dbraw/zinc/12/74/55/175127455.db2.gz NSCVOAMHKJVSIA-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966302 175128124 /nfs/dbraw/zinc/12/81/24/175128124.db2.gz KSFZIOVEZWEBNB-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966302 175128125 /nfs/dbraw/zinc/12/81/25/175128125.db2.gz KSFZIOVEZWEBNB-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@H+](CCCOC)CCOC ZINC000043971080 175132034 /nfs/dbraw/zinc/13/20/34/175132034.db2.gz MMQQYFFBRJIJRD-CABCVRRESA-N 2 2 274.449 2.138 10 0 CEAELP CCC[NH2+][C@@H](CC)[C@@H](C)[N@@H+](CCCOC)CCOC ZINC000043971080 175132035 /nfs/dbraw/zinc/13/20/35/175132035.db2.gz MMQQYFFBRJIJRD-CABCVRRESA-N 2 2 274.449 2.138 10 0 CEAELP CC[NH+](CC)CCCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045375873 175366203 /nfs/dbraw/zinc/36/62/03/175366203.db2.gz VCMVRKKAFBGCAK-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([NH+]2CCC(OC)CC2)C1 ZINC000071123290 176035390 /nfs/dbraw/zinc/03/53/90/176035390.db2.gz IRHMWYYCUXQNNP-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145281 176042226 /nfs/dbraw/zinc/04/22/26/176042226.db2.gz QENRJKSFBMVLMZ-NSHDSACASA-N 2 2 296.798 2.248 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145281 176042227 /nfs/dbraw/zinc/04/22/27/176042227.db2.gz QENRJKSFBMVLMZ-NSHDSACASA-N 2 2 296.798 2.248 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCCOC)CCOC ZINC000071161919 176046468 /nfs/dbraw/zinc/04/64/68/176046468.db2.gz KNSRLTBGGHZJBT-CVEARBPZSA-N 2 2 286.460 2.269 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000071161919 176046470 /nfs/dbraw/zinc/04/64/70/176046470.db2.gz KNSRLTBGGHZJBT-CVEARBPZSA-N 2 2 286.460 2.269 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191397 176069220 /nfs/dbraw/zinc/06/92/20/176069220.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191397 176069222 /nfs/dbraw/zinc/06/92/22/176069222.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191397 176069223 /nfs/dbraw/zinc/06/92/23/176069223.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191397 176069225 /nfs/dbraw/zinc/06/92/25/176069225.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191489 176069930 /nfs/dbraw/zinc/06/99/30/176069930.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191489 176069931 /nfs/dbraw/zinc/06/99/31/176069931.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191489 176069933 /nfs/dbraw/zinc/06/99/33/176069933.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191489 176069934 /nfs/dbraw/zinc/06/99/34/176069934.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071192034 176072056 /nfs/dbraw/zinc/07/20/56/176072056.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071192034 176072057 /nfs/dbraw/zinc/07/20/57/176072057.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192034 176072058 /nfs/dbraw/zinc/07/20/58/176072058.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1oc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192034 176072060 /nfs/dbraw/zinc/07/20/60/176072060.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192028 176072514 /nfs/dbraw/zinc/07/25/14/176072514.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192028 176072515 /nfs/dbraw/zinc/07/25/15/176072515.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192028 176072516 /nfs/dbraw/zinc/07/25/16/176072516.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192028 176072517 /nfs/dbraw/zinc/07/25/17/176072517.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267955 176101691 /nfs/dbraw/zinc/10/16/91/176101691.db2.gz RUNZOTCTWDXOSU-JTQLQIEISA-N 2 2 279.359 2.109 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(F)cc2C(N)=[NH2+])CC(C)(C)O1 ZINC000071267955 176101693 /nfs/dbraw/zinc/10/16/93/176101693.db2.gz RUNZOTCTWDXOSU-JTQLQIEISA-N 2 2 279.359 2.109 10 0 CEAELP C[NH2+][C@H](C)c1cccc(NC(=O)NCc2[nH+]ccn2C)c1 ZINC000071274501 176105950 /nfs/dbraw/zinc/10/59/50/176105950.db2.gz PUZACHWYPDWLHJ-LLVKDONJSA-N 2 2 287.367 2.022 10 0 CEAELP C[N@H+](CC[NH3+])CCOc1ccc(Cl)c(Cl)c1 ZINC000076358513 177000816 /nfs/dbraw/zinc/00/08/16/177000816.db2.gz BBRBNYCOPTVEER-UHFFFAOYSA-N 2 2 263.168 2.263 10 0 CEAELP C[N@@H+](CC[NH3+])CCOc1ccc(Cl)c(Cl)c1 ZINC000076358513 177000819 /nfs/dbraw/zinc/00/08/19/177000819.db2.gz BBRBNYCOPTVEER-UHFFFAOYSA-N 2 2 263.168 2.263 10 0 CEAELP CCOC(=O)N1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000037321498 270225466 /nfs/dbraw/zinc/22/54/66/270225466.db2.gz NOTYQUOQRPRDKO-OAHLLOKOSA-N 2 2 299.459 2.173 10 0 CEAELP Cc1nc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)sc1C ZINC000571651931 314100515 /nfs/dbraw/zinc/10/05/15/314100515.db2.gz IRGAMXVIDDMNBW-JQWIXIFHSA-N 2 2 253.415 2.238 10 0 CEAELP CC[NH2+]CCC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000061298716 519916302 /nfs/dbraw/zinc/91/63/02/519916302.db2.gz DTQLYYVKEMXOFU-UHFFFAOYSA-N 2 2 277.412 2.019 10 0 CEAELP CC[NH2+]CCC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000061298716 519916304 /nfs/dbraw/zinc/91/63/04/519916304.db2.gz DTQLYYVKEMXOFU-UHFFFAOYSA-N 2 2 277.412 2.019 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049197491 519814400 /nfs/dbraw/zinc/81/44/00/519814400.db2.gz YMSBPTYCASRPDW-KRWDZBQOSA-N 3 2 290.455 2.226 10 0 CEAELP CC[NH2+]C(C)(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061292172 519906423 /nfs/dbraw/zinc/90/64/23/519906423.db2.gz GSLVVYFVNRNVTD-UHFFFAOYSA-N 2 2 272.352 2.403 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054602584 519909704 /nfs/dbraw/zinc/90/97/04/519909704.db2.gz NQTNYJKPBQAXFY-HNSVSWJLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054602584 519909706 /nfs/dbraw/zinc/90/97/06/519909706.db2.gz NQTNYJKPBQAXFY-HNSVSWJLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[NH2+]C[C@@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000061219058 519944703 /nfs/dbraw/zinc/94/47/03/519944703.db2.gz BUVDVWBZIPCONT-SNVBAGLBSA-N 2 2 275.352 2.437 10 0 CEAELP CC[NH2+]C[C@H](c1ccccc1)[N@H+](C)C1CCOCC1 ZINC000052481294 519975564 /nfs/dbraw/zinc/97/55/64/519975564.db2.gz UMFMGIUEOCIHCI-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH2+]C[C@H](c1ccccc1)[N@@H+](C)C1CCOCC1 ZINC000052481294 519975569 /nfs/dbraw/zinc/97/55/69/519975569.db2.gz UMFMGIUEOCIHCI-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054602791 521549026 /nfs/dbraw/zinc/54/90/26/521549026.db2.gz NCLZZHOKIOBTGN-ALOPSCKCSA-N 3 2 279.472 2.323 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054602791 521549033 /nfs/dbraw/zinc/54/90/33/521549033.db2.gz NCLZZHOKIOBTGN-ALOPSCKCSA-N 3 2 279.472 2.323 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000049150124 521582714 /nfs/dbraw/zinc/58/27/14/521582714.db2.gz MAIUVULSZHBMSM-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP COc1c(C)c[nH+]c(CN[C@H](C)C[NH+]2CCCC2)c1C ZINC000049180430 521810884 /nfs/dbraw/zinc/81/08/84/521810884.db2.gz FOEUNLNAMJOBHY-CYBMUJFWSA-N 2 2 277.412 2.281 10 0 CEAELP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000068654169 522439931 /nfs/dbraw/zinc/43/99/31/522439931.db2.gz MBASLHSHLOVGPM-CABCVRRESA-N 2 2 291.439 2.204 10 0 CEAELP CCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]C(C)C)C(=O)OC ZINC000068649438 522589310 /nfs/dbraw/zinc/58/93/10/522589310.db2.gz TZCHNGFFMODYAA-SWLSCSKDSA-N 2 2 281.400 2.326 10 0 CEAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCCCn1cc[nH+]c1 ZINC000052206219 523798671 /nfs/dbraw/zinc/79/86/71/523798671.db2.gz BDNWFNDCFCLSMX-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP C[N@H+]1CCCC[C@H]1CC[NH2+]CCCCn1cc[nH+]c1 ZINC000052206219 523798676 /nfs/dbraw/zinc/79/86/76/523798676.db2.gz BDNWFNDCFCLSMX-HNNXBMFYSA-N 3 2 264.417 2.127 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@H](C)n1c(C)[nH+]c2ccccc21 ZINC000068648787 523819618 /nfs/dbraw/zinc/81/96/18/523819618.db2.gz QMQSXEGPLAYWHI-BONVTDFDSA-N 2 2 275.352 2.186 10 0 CEAELP CC[C@H](C)[NH+]1CCN(c2[nH+]c(C)cc(C)c2CO)CC1 ZINC000055069079 523962217 /nfs/dbraw/zinc/96/22/17/523962217.db2.gz UJMFDXUQWOGORF-AWEZNQCLSA-N 2 2 277.412 2.111 10 0 CEAELP C[C@@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374697 524732715 /nfs/dbraw/zinc/73/27/15/524732715.db2.gz MHSGPWNAQVRKQE-AWEZNQCLSA-N 2 2 291.414 2.336 10 0 CEAELP Cc1cc(C[NH2+][C@H](C[NH+](C)C)C(C)C)c(C)n1C ZINC000052790467 524780572 /nfs/dbraw/zinc/78/05/72/524780572.db2.gz HWVFKDRJIMENHE-OAHLLOKOSA-N 2 2 251.418 2.318 10 0 CEAELP Cc1csc(C[NH2+]CC[C@H]2CCCC[N@H+]2C)n1 ZINC000052205738 526356110 /nfs/dbraw/zinc/35/61/10/526356110.db2.gz QKIGVDWABMVKKR-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1csc(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000052205738 526356120 /nfs/dbraw/zinc/35/61/20/526356120.db2.gz QKIGVDWABMVKKR-GFCCVEGCSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382714 526775005 /nfs/dbraw/zinc/77/50/05/526775005.db2.gz WLWLBDMUXBYENU-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382714 526775010 /nfs/dbraw/zinc/77/50/10/526775010.db2.gz WLWLBDMUXBYENU-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP [NH3+]C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757443 527208325 /nfs/dbraw/zinc/20/83/25/527208325.db2.gz GCQSIAAJJDSPLO-CABCVRRESA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757443 527208333 /nfs/dbraw/zinc/20/83/33/527208333.db2.gz GCQSIAAJJDSPLO-CABCVRRESA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]Cc1sc2cccc(F)c2c1C[NH+]1CCOCC1 ZINC000052377809 527268879 /nfs/dbraw/zinc/26/88/79/527268879.db2.gz OFLBHSGTJXDIGA-UHFFFAOYSA-N 2 2 280.368 2.331 10 0 CEAELP Cc1nc(N2CCC[C@@H](C[NH2+]CC(C)C)C2)cc[nH+]1 ZINC000054937670 527344399 /nfs/dbraw/zinc/34/43/99/527344399.db2.gz XXKHABBCJAORCL-AWEZNQCLSA-N 2 2 262.401 2.247 10 0 CEAELP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384681629 574842073 /nfs/dbraw/zinc/84/20/73/574842073.db2.gz GJNUSHULOJNINW-PMPSAXMXSA-N 2 2 268.445 2.248 10 0 CEAELP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384681629 574842074 /nfs/dbraw/zinc/84/20/74/574842074.db2.gz GJNUSHULOJNINW-PMPSAXMXSA-N 2 2 268.445 2.248 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[N@H+](CCC(C)C)C1CC1 ZINC000096845337 185117009 /nfs/dbraw/zinc/11/70/09/185117009.db2.gz ZHRGXLCIFVFPCI-AWEZNQCLSA-N 2 2 256.434 2.248 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[N@@H+](CCC(C)C)C1CC1 ZINC000096845337 185117011 /nfs/dbraw/zinc/11/70/11/185117011.db2.gz ZHRGXLCIFVFPCI-AWEZNQCLSA-N 2 2 256.434 2.248 10 0 CEAELP Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)[nH+]cc1N ZINC000036250848 361837284 /nfs/dbraw/zinc/83/72/84/361837284.db2.gz XYSBKJMFNYZTOW-UHFFFAOYSA-N 2 2 282.391 2.294 10 0 CEAELP Clc1ccc(CCn2c[nH+]cc2C2C[NH2+]C2)cc1 ZINC000097020067 185152894 /nfs/dbraw/zinc/15/28/94/185152894.db2.gz DZYORDUXLFLENW-UHFFFAOYSA-N 2 2 261.756 2.466 10 0 CEAELP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC)CCO2)cc1 ZINC000134435465 344374194 /nfs/dbraw/zinc/37/41/94/344374194.db2.gz UYAPOANUMODGFM-MRXNPFEDSA-N 2 2 262.397 2.059 10 0 CEAELP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC)CCO2)cc1 ZINC000134435465 344374198 /nfs/dbraw/zinc/37/41/98/344374198.db2.gz UYAPOANUMODGFM-MRXNPFEDSA-N 2 2 262.397 2.059 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H](O)CC1CCCC1 ZINC000232130261 344576873 /nfs/dbraw/zinc/57/68/73/344576873.db2.gz TXBFKDYLLPIJQB-HZPDHXFCSA-N 2 2 270.461 2.494 10 0 CEAELP c1[nH]nc2cc(C[N@@H+](C[C@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645169 344758172 /nfs/dbraw/zinc/75/81/72/344758172.db2.gz SBBVNPVBOVOPID-CQSZACIVSA-N 2 2 270.380 2.279 10 0 CEAELP c1[nH]nc2cc(C[N@H+](C[C@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645169 344758175 /nfs/dbraw/zinc/75/81/75/344758175.db2.gz SBBVNPVBOVOPID-CQSZACIVSA-N 2 2 270.380 2.279 10 0 CEAELP [NH3+]CCCc1[nH+]c2ccccc2n1C[C@@H]1CCCO1 ZINC000053994565 362503153 /nfs/dbraw/zinc/50/31/53/362503153.db2.gz PCJCRIMNPZBFLV-LBPRGKRZSA-N 2 2 259.353 2.107 10 0 CEAELP COCC1CC[NH+]([C@]2(C[NH3+])CC[C@H](C)[C@@H](C)C2)CC1 ZINC000084990337 178940950 /nfs/dbraw/zinc/94/09/50/178940950.db2.gz BUHOJHQUQFFPIG-OFQRWUPVSA-N 2 2 268.445 2.498 10 0 CEAELP COc1cc2[nH]c([C@@H]3CCC[C@@H]3[NH3+])[nH+]c2cc1OC ZINC000085321817 179015440 /nfs/dbraw/zinc/01/54/40/179015440.db2.gz HSKUYWHJOOPEPZ-BDAKNGLRSA-N 2 2 261.325 2.175 10 0 CEAELP COc1cc2[nH]c([C@H]3CCC[C@@H]3[NH3+])[nH+]c2cc1OC ZINC000085321818 179015511 /nfs/dbraw/zinc/01/55/11/179015511.db2.gz HSKUYWHJOOPEPZ-IUCAKERBSA-N 2 2 261.325 2.175 10 0 CEAELP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCCn1cc[nH+]c1 ZINC000085494457 179082241 /nfs/dbraw/zinc/08/22/41/179082241.db2.gz TVZQJTGKADJFBP-CABCVRRESA-N 2 2 264.417 2.126 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471602 179076161 /nfs/dbraw/zinc/07/61/61/179076161.db2.gz SPYIRQBLJKCUFT-GOEBONIOSA-N 2 2 266.429 2.408 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085471602 179076162 /nfs/dbraw/zinc/07/61/62/179076162.db2.gz SPYIRQBLJKCUFT-GOEBONIOSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085515086 179086367 /nfs/dbraw/zinc/08/63/67/179086367.db2.gz WOESXCBCIFENQW-IRXDYDNUSA-N 2 2 290.455 2.434 10 0 CEAELP CC[C@@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085496739 179083902 /nfs/dbraw/zinc/08/39/02/179083902.db2.gz ZYSVGXFNMLLZMO-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@]1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085496739 179083903 /nfs/dbraw/zinc/08/39/03/179083903.db2.gz ZYSVGXFNMLLZMO-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085522949 179088782 /nfs/dbraw/zinc/08/87/82/179088782.db2.gz GVQXRBYPMOACTO-CVEARBPZSA-N 2 2 284.407 2.297 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624684 179107115 /nfs/dbraw/zinc/10/71/15/179107115.db2.gz YFOFXWRBNIHCCA-RDBSUJKOSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCOC1 ZINC000085624684 179107116 /nfs/dbraw/zinc/10/71/16/179107116.db2.gz YFOFXWRBNIHCCA-RDBSUJKOSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609364 179100793 /nfs/dbraw/zinc/10/07/93/179100793.db2.gz WPEIKAYQYVQRDP-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085609364 179100795 /nfs/dbraw/zinc/10/07/95/179100795.db2.gz WPEIKAYQYVQRDP-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610182 179101931 /nfs/dbraw/zinc/10/19/31/179101931.db2.gz HKMPCWVNBFBHQU-CYBMUJFWSA-N 2 2 255.365 2.419 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610182 179101934 /nfs/dbraw/zinc/10/19/34/179101934.db2.gz HKMPCWVNBFBHQU-CYBMUJFWSA-N 2 2 255.365 2.419 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617250 179103730 /nfs/dbraw/zinc/10/37/30/179103730.db2.gz XGVWIJXHSZQILH-MRXNPFEDSA-N 2 2 272.396 2.298 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617250 179103731 /nfs/dbraw/zinc/10/37/31/179103731.db2.gz XGVWIJXHSZQILH-MRXNPFEDSA-N 2 2 272.396 2.298 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617253 179104337 /nfs/dbraw/zinc/10/43/37/179104337.db2.gz XGVWIJXHSZQILH-INIZCTEOSA-N 2 2 272.396 2.298 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2cn3ccccc3n2)CCC[NH2+]1 ZINC000085617253 179104338 /nfs/dbraw/zinc/10/43/38/179104338.db2.gz XGVWIJXHSZQILH-INIZCTEOSA-N 2 2 272.396 2.298 10 0 CEAELP CO[C@@H]1CCC[C@H]([N@@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616375 179104373 /nfs/dbraw/zinc/10/43/73/179104373.db2.gz HPELTXITXHJFGJ-ZNMIVQPWSA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@@H]1CCC[C@H]([N@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616375 179104374 /nfs/dbraw/zinc/10/43/74/179104374.db2.gz HPELTXITXHJFGJ-ZNMIVQPWSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000085636199 179109502 /nfs/dbraw/zinc/10/95/02/179109502.db2.gz DCDYJQMQCFEGGE-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174367 179245527 /nfs/dbraw/zinc/24/55/27/179245527.db2.gz FLPBHLWQBGVHBA-TUVASFSCSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C(C)C)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174367 179245530 /nfs/dbraw/zinc/24/55/30/179245530.db2.gz FLPBHLWQBGVHBA-TUVASFSCSA-N 2 2 254.418 2.262 10 0 CEAELP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264827 179260975 /nfs/dbraw/zinc/26/09/75/179260975.db2.gz STTGANOFNXNHSI-UKRRQHHQSA-N 2 2 276.428 2.163 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296387 179268357 /nfs/dbraw/zinc/26/83/57/179268357.db2.gz NYVCRXNCUHQWEM-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296387 179268358 /nfs/dbraw/zinc/26/83/58/179268358.db2.gz NYVCRXNCUHQWEM-ZFWWWQNUSA-N 2 2 277.412 2.300 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2c[nH]c[nH+]2)o1 ZINC000086507201 179302975 /nfs/dbraw/zinc/30/29/75/179302975.db2.gz UGFGMKLQBVPMEQ-UHFFFAOYSA-N 2 2 271.324 2.034 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2c[nH+]c[nH]2)o1 ZINC000086507201 179302976 /nfs/dbraw/zinc/30/29/76/179302976.db2.gz UGFGMKLQBVPMEQ-UHFFFAOYSA-N 2 2 271.324 2.034 10 0 CEAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777885 179329175 /nfs/dbraw/zinc/32/91/75/179329175.db2.gz SWZWJCJUZRCKJL-VIFPVBQESA-N 2 2 259.806 2.500 10 0 CEAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000086777885 179329177 /nfs/dbraw/zinc/32/91/77/179329177.db2.gz SWZWJCJUZRCKJL-VIFPVBQESA-N 2 2 259.806 2.500 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]CC[NH+](C)C2CCCC2)CC1 ZINC000086844946 179355406 /nfs/dbraw/zinc/35/54/06/179355406.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]CC[NH+](C)C2CCCC2)CC1 ZINC000086844946 179355408 /nfs/dbraw/zinc/35/54/08/179355408.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH+]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000086844946 179355411 /nfs/dbraw/zinc/35/54/11/179355411.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH+]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000086844946 179355416 /nfs/dbraw/zinc/35/54/16/179355416.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851706 179359704 /nfs/dbraw/zinc/35/97/04/179359704.db2.gz XWOUFQODTWJUKQ-CQSZACIVSA-N 2 2 283.441 2.080 10 0 CEAELP CC[N@H+]1CCC[C@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851706 179359705 /nfs/dbraw/zinc/35/97/05/179359705.db2.gz XWOUFQODTWJUKQ-CQSZACIVSA-N 2 2 283.441 2.080 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000086871641 179364265 /nfs/dbraw/zinc/36/42/65/179364265.db2.gz QTMHXTHRXHLDTP-SJORKVTESA-N 2 2 274.408 2.420 10 0 CEAELP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000086871641 179364267 /nfs/dbraw/zinc/36/42/67/179364267.db2.gz QTMHXTHRXHLDTP-SJORKVTESA-N 2 2 274.408 2.420 10 0 CEAELP COC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915580 179367276 /nfs/dbraw/zinc/36/72/76/179367276.db2.gz QKWUDKQMAMVFRF-MRXNPFEDSA-N 2 2 282.428 2.184 10 0 CEAELP COC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCCC(C)(C)CC1 ZINC000086915580 179367278 /nfs/dbraw/zinc/36/72/78/179367278.db2.gz QKWUDKQMAMVFRF-MRXNPFEDSA-N 2 2 282.428 2.184 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994653 179376105 /nfs/dbraw/zinc/37/61/05/179376105.db2.gz QWQUOIANXXWSDM-SWLSCSKDSA-N 2 2 266.360 2.437 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994653 179376107 /nfs/dbraw/zinc/37/61/07/179376107.db2.gz QWQUOIANXXWSDM-SWLSCSKDSA-N 2 2 266.360 2.437 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCCC[N@H+](CC[NH3+])C2)c1 ZINC000616629908 348540283 /nfs/dbraw/zinc/54/02/83/348540283.db2.gz WFZBZZBEFFXKSJ-INIZCTEOSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1cccc([C@H]2CCCC[N@@H+](CC[NH3+])C2)c1 ZINC000616629908 348540286 /nfs/dbraw/zinc/54/02/86/348540286.db2.gz WFZBZZBEFFXKSJ-INIZCTEOSA-N 2 2 290.407 2.392 10 0 CEAELP Nc1[nH+]cccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616595454 348528378 /nfs/dbraw/zinc/52/83/78/348528378.db2.gz LVXYZKSTPPKFQZ-HNNXBMFYSA-N 2 2 268.364 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3cnccc32)C1 ZINC000616608714 348532855 /nfs/dbraw/zinc/53/28/55/348532855.db2.gz BLROOUXKMSMADC-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3cnccc32)C1 ZINC000616608714 348532858 /nfs/dbraw/zinc/53/28/58/348532858.db2.gz BLROOUXKMSMADC-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901600 180059334 /nfs/dbraw/zinc/05/93/34/180059334.db2.gz CHBDCKXZAYMWSO-HUUCEWRRSA-N 2 2 285.391 2.475 10 0 CEAELP [NH3+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907531 180062179 /nfs/dbraw/zinc/06/21/79/180062179.db2.gz HNQHYZWMGFYKOV-TYNCELHUSA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907531 180062181 /nfs/dbraw/zinc/06/21/81/180062181.db2.gz HNQHYZWMGFYKOV-TYNCELHUSA-N 2 2 264.344 2.079 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017610 180086958 /nfs/dbraw/zinc/08/69/58/180086958.db2.gz DUMWBLJEVDUANK-AWEZNQCLSA-N 2 2 260.385 2.239 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000091318497 180133874 /nfs/dbraw/zinc/13/38/74/180133874.db2.gz VUOQPQHUAOFICL-ZDUSSCGKSA-N 2 2 297.468 2.201 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000091318497 180133877 /nfs/dbraw/zinc/13/38/77/180133877.db2.gz VUOQPQHUAOFICL-ZDUSSCGKSA-N 2 2 297.468 2.201 10 0 CEAELP CC(C)NC(=O)C[C@@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000091318671 180134084 /nfs/dbraw/zinc/13/40/84/180134084.db2.gz RRRODFIZEINDME-HNNXBMFYSA-N 2 2 295.471 2.275 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccs1 ZINC000091322803 180134595 /nfs/dbraw/zinc/13/45/95/180134595.db2.gz XHIANZNKDJGFNR-QWHCGFSZSA-N 2 2 297.468 2.327 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccs1 ZINC000091322803 180134596 /nfs/dbraw/zinc/13/45/96/180134596.db2.gz XHIANZNKDJGFNR-QWHCGFSZSA-N 2 2 297.468 2.327 10 0 CEAELP CCCN(Cc1c[nH+]cn1C(C)C)[C@@H]1CC[NH2+]C1 ZINC000091273012 180117923 /nfs/dbraw/zinc/11/79/23/180117923.db2.gz UMRKFKIDISAVBN-CYBMUJFWSA-N 2 2 250.390 2.038 10 0 CEAELP CN(CC1CCCC1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276566 180119647 /nfs/dbraw/zinc/11/96/47/180119647.db2.gz UVQUMFFCUCDSFA-CQSZACIVSA-N 2 2 262.401 2.340 10 0 CEAELP CN(c1cccc(F)c1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276494 180120025 /nfs/dbraw/zinc/12/00/25/180120025.db2.gz BHTARUNFRTXHLP-CQSZACIVSA-N 2 2 274.343 2.493 10 0 CEAELP CCC1CCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276335 180120410 /nfs/dbraw/zinc/12/04/10/180120410.db2.gz GCEJQFRTUNPCSJ-AWEZNQCLSA-N 2 2 262.401 2.340 10 0 CEAELP Cn1c[nH+]cc1COc1cccc2c1CCC[C@H]2[NH3+] ZINC000091278492 180120917 /nfs/dbraw/zinc/12/09/17/180120917.db2.gz MAWGSOPLXFNVPM-CQSZACIVSA-N 2 2 257.337 2.335 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)CC1CC(O)C1 ZINC000091451132 180158658 /nfs/dbraw/zinc/15/86/58/180158658.db2.gz RXNSYCQNKOUTQS-NSOJWWLLSA-N 2 2 266.385 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)CC1CC(O)C1 ZINC000091451132 180158659 /nfs/dbraw/zinc/15/86/59/180158659.db2.gz RXNSYCQNKOUTQS-NSOJWWLLSA-N 2 2 266.385 2.069 10 0 CEAELP CCC[NH2+][C@@H](c1c[nH+]ccc1N)[C@](C)(CC)N(C)C ZINC000091571890 180196075 /nfs/dbraw/zinc/19/60/75/180196075.db2.gz MDIDLHZZBFNSCS-GJZGRUSLSA-N 2 2 264.417 2.435 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599269 180202111 /nfs/dbraw/zinc/20/21/11/180202111.db2.gz XOXSBMUTCIEJAM-LSDHHAIUSA-N 2 2 266.433 2.061 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599678 180202343 /nfs/dbraw/zinc/20/23/43/180202343.db2.gz PIXHWFDFNFZTBS-JKSUJKDBSA-N 2 2 280.460 2.370 10 0 CEAELP CC[C@@H](C)n1ccc(C[C@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528389 180179954 /nfs/dbraw/zinc/17/99/54/180179954.db2.gz IFNPDIBCMLUGQE-YPMHNXCESA-N 2 2 252.406 2.064 10 0 CEAELP Nc1cc(CC(=O)C2([NH+]3CCCC3)CCCC2)cc[nH+]1 ZINC000091639983 180212551 /nfs/dbraw/zinc/21/25/51/180212551.db2.gz QLKDAVWHYOYYQJ-UHFFFAOYSA-N 2 2 273.380 2.184 10 0 CEAELP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCCC1 ZINC000091647407 180215845 /nfs/dbraw/zinc/21/58/45/180215845.db2.gz KDQLXSHJBZSXKR-AWEZNQCLSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662292 180219506 /nfs/dbraw/zinc/21/95/06/180219506.db2.gz ALZTVOLRKGUFSL-MCIONIFRSA-N 2 2 264.369 2.184 10 0 CEAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000091662292 180219508 /nfs/dbraw/zinc/21/95/08/180219508.db2.gz ALZTVOLRKGUFSL-MCIONIFRSA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+][C@H](Cc1cc(F)ccc1F)C[NH+](C)C ZINC000091720017 180235671 /nfs/dbraw/zinc/23/56/71/180235671.db2.gz SKNADLDETODVFL-CYBMUJFWSA-N 2 2 256.340 2.437 10 0 CEAELP CCC[NH2+][C@H](Cc1ccccc1OC)C[NH+](C)C ZINC000091720133 180235981 /nfs/dbraw/zinc/23/59/81/180235981.db2.gz OPJHHZLFJJFQPR-CQSZACIVSA-N 2 2 250.386 2.168 10 0 CEAELP [NH3+][C@H](c1cnc2ccccc2c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720622 180236583 /nfs/dbraw/zinc/23/65/83/180236583.db2.gz XUOXLWZKRXNQLW-HYVNUMGLSA-N 2 2 283.375 2.098 10 0 CEAELP [NH3+][C@H](c1cnc2ccccc2c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720622 180236586 /nfs/dbraw/zinc/23/65/86/180236586.db2.gz XUOXLWZKRXNQLW-HYVNUMGLSA-N 2 2 283.375 2.098 10 0 CEAELP CC[N@H+](C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275453 180356805 /nfs/dbraw/zinc/35/68/05/180356805.db2.gz VABRHHCJAIGDCA-LBPRGKRZSA-N 2 2 250.411 2.417 10 0 CEAELP CC[N@@H+](C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275453 180356807 /nfs/dbraw/zinc/35/68/07/180356807.db2.gz VABRHHCJAIGDCA-LBPRGKRZSA-N 2 2 250.411 2.417 10 0 CEAELP c1ccc2c(c1)OC[C@H]2C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302629 180359681 /nfs/dbraw/zinc/35/96/81/180359681.db2.gz HMVXIUNQMACHGO-UKRRQHHQSA-N 2 2 272.392 2.379 10 0 CEAELP c1ccc2c(c1)OC[C@H]2C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302629 180359683 /nfs/dbraw/zinc/35/96/83/180359683.db2.gz HMVXIUNQMACHGO-UKRRQHHQSA-N 2 2 272.392 2.379 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([NH+]1CCCC1)CCC2 ZINC000092384535 180374009 /nfs/dbraw/zinc/37/40/09/180374009.db2.gz RSBSRIXDRFCESQ-INIZCTEOSA-N 2 2 260.381 2.281 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC(C)(C)C)nc[nH+]1 ZINC000109070368 186242673 /nfs/dbraw/zinc/24/26/73/186242673.db2.gz XFMRFXUNUDAPHE-GFCCVEGCSA-N 2 2 277.416 2.123 10 0 CEAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108644821 186225010 /nfs/dbraw/zinc/22/50/10/186225010.db2.gz GRDHWGRFWNNGRR-MVWJERBFSA-N 2 2 252.308 2.177 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000109554408 186262943 /nfs/dbraw/zinc/26/29/43/186262943.db2.gz KMAFXQKPWDTEHE-CYBMUJFWSA-N 2 2 278.396 2.135 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000109554408 186262944 /nfs/dbraw/zinc/26/29/44/186262944.db2.gz KMAFXQKPWDTEHE-CYBMUJFWSA-N 2 2 278.396 2.135 10 0 CEAELP CCOC(=O)C[N@H+](C(C)C)[C@@H](CC[NH3+])c1ccccc1 ZINC000109685067 186269139 /nfs/dbraw/zinc/26/91/39/186269139.db2.gz ZBXGATUCTBJCKL-HNNXBMFYSA-N 2 2 278.396 2.350 10 0 CEAELP CCOC(=O)C[N@@H+](C(C)C)[C@@H](CC[NH3+])c1ccccc1 ZINC000109685067 186269140 /nfs/dbraw/zinc/26/91/40/186269140.db2.gz ZBXGATUCTBJCKL-HNNXBMFYSA-N 2 2 278.396 2.350 10 0 CEAELP C[N@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110932110 186333341 /nfs/dbraw/zinc/33/33/41/186333341.db2.gz ZBLHTFGXBKBVLZ-HNNXBMFYSA-N 2 2 255.365 2.419 10 0 CEAELP C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[NH2+]C1 ZINC000110932110 186333342 /nfs/dbraw/zinc/33/33/42/186333342.db2.gz ZBLHTFGXBKBVLZ-HNNXBMFYSA-N 2 2 255.365 2.419 10 0 CEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154765 186360943 /nfs/dbraw/zinc/36/09/43/186360943.db2.gz SAVUHVVVUWZXHK-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154765 186360944 /nfs/dbraw/zinc/36/09/44/186360944.db2.gz SAVUHVVVUWZXHK-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@H+](C)CCC[NH+](C)C)o1 ZINC000111150136 186360998 /nfs/dbraw/zinc/36/09/98/186360998.db2.gz DRGQPEBHMIAVCK-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)o1 ZINC000111150136 186360999 /nfs/dbraw/zinc/36/09/99/186360999.db2.gz DRGQPEBHMIAVCK-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111155901 186361475 /nfs/dbraw/zinc/36/14/75/186361475.db2.gz FBWRVMXKDHVSDO-DYVFJYSZSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111155901 186361476 /nfs/dbraw/zinc/36/14/76/186361476.db2.gz FBWRVMXKDHVSDO-DYVFJYSZSA-N 2 2 292.423 2.442 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)s1 ZINC000111155835 186362415 /nfs/dbraw/zinc/36/24/15/186362415.db2.gz IHEGZJRBJRNRLE-CYBMUJFWSA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)s1 ZINC000111155835 186362416 /nfs/dbraw/zinc/36/24/16/186362416.db2.gz IHEGZJRBJRNRLE-CYBMUJFWSA-N 2 2 268.426 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CC1CCOCC1 ZINC000111155611 186362967 /nfs/dbraw/zinc/36/29/67/186362967.db2.gz HTLHBYRVYIKJEP-GDBMZVCRSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CC1CCOCC1 ZINC000111155611 186362968 /nfs/dbraw/zinc/36/29/68/186362968.db2.gz HTLHBYRVYIKJEP-GDBMZVCRSA-N 2 2 277.412 2.218 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147993 186358242 /nfs/dbraw/zinc/35/82/42/186358242.db2.gz OKTJMRASZABNCO-GJZGRUSLSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147993 186358244 /nfs/dbraw/zinc/35/82/44/186358244.db2.gz OKTJMRASZABNCO-GJZGRUSLSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148237 186359552 /nfs/dbraw/zinc/35/95/52/186359552.db2.gz LBGXHPFTVWCDQM-JKSUJKDBSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148237 186359554 /nfs/dbraw/zinc/35/95/54/186359554.db2.gz LBGXHPFTVWCDQM-JKSUJKDBSA-N 3 2 269.477 2.428 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154479 186359781 /nfs/dbraw/zinc/35/97/81/186359781.db2.gz WMGKHJZKGBXIFK-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154479 186359782 /nfs/dbraw/zinc/35/97/82/186359782.db2.gz WMGKHJZKGBXIFK-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154333 186360005 /nfs/dbraw/zinc/36/00/05/186360005.db2.gz ROEVTLKJPWNLKX-BPUTZDHNSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154333 186360007 /nfs/dbraw/zinc/36/00/07/186360007.db2.gz ROEVTLKJPWNLKX-BPUTZDHNSA-N 2 2 277.412 2.218 10 0 CEAELP CCC[NH2+]C[C@]1(C[N@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325509 186399087 /nfs/dbraw/zinc/39/90/87/186399087.db2.gz LSWOGUFOQHAXKA-KRWDZBQOSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325509 186399088 /nfs/dbraw/zinc/39/90/88/186399088.db2.gz LSWOGUFOQHAXKA-KRWDZBQOSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]Cc1ccc(Sc2nc(N)cc(N)[nH+]2)cc1 ZINC000111570130 186428942 /nfs/dbraw/zinc/42/89/42/186428942.db2.gz OKYCRPCUTRHPCR-UHFFFAOYSA-N 2 2 289.408 2.292 10 0 CEAELP C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C[NH3+] ZINC000630572675 351788880 /nfs/dbraw/zinc/78/88/80/351788880.db2.gz RCABBCVHJZGTSB-RKDXNWHRSA-N 2 2 259.275 2.131 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000123462307 187093526 /nfs/dbraw/zinc/09/35/26/187093526.db2.gz JNZHJBQUVOHDAR-LBPRGKRZSA-N 2 2 254.761 2.142 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000123462307 187093527 /nfs/dbraw/zinc/09/35/27/187093527.db2.gz JNZHJBQUVOHDAR-LBPRGKRZSA-N 2 2 254.761 2.142 10 0 CEAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000132846864 366174309 /nfs/dbraw/zinc/17/43/09/366174309.db2.gz GLSMQXABTJVXEH-HUUCEWRRSA-N 2 2 275.396 2.261 10 0 CEAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441721 540208562 /nfs/dbraw/zinc/20/85/62/540208562.db2.gz YDFKGTCNTAFYMV-QGZVFWFLSA-N 2 2 274.408 2.110 10 0 CEAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000384441721 540208565 /nfs/dbraw/zinc/20/85/65/540208565.db2.gz YDFKGTCNTAFYMV-QGZVFWFLSA-N 2 2 274.408 2.110 10 0 CEAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685953140 540648394 /nfs/dbraw/zinc/64/83/94/540648394.db2.gz GKZLAAWRCOTEIC-ZDUSSCGKSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685953140 540648396 /nfs/dbraw/zinc/64/83/96/540648396.db2.gz GKZLAAWRCOTEIC-ZDUSSCGKSA-N 2 2 297.443 2.199 10 0 CEAELP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178318585 189107183 /nfs/dbraw/zinc/10/71/83/189107183.db2.gz VEBRNBJVTUDDGP-DZGCQCFKSA-N 2 2 293.411 2.388 10 0 CEAELP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178318585 189107184 /nfs/dbraw/zinc/10/71/84/189107184.db2.gz VEBRNBJVTUDDGP-DZGCQCFKSA-N 2 2 293.411 2.388 10 0 CEAELP CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180566692 189262256 /nfs/dbraw/zinc/26/22/56/189262256.db2.gz ADQLAFYURKXWFO-OLZOCXBDSA-N 2 2 277.416 2.265 10 0 CEAELP Cc1cnn([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000182761994 189333697 /nfs/dbraw/zinc/33/36/97/189333697.db2.gz CQZPGHVYWAREJV-OAHLLOKOSA-N 2 2 273.384 2.115 10 0 CEAELP Cc1cnn([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000182761994 189333698 /nfs/dbraw/zinc/33/36/98/189333698.db2.gz CQZPGHVYWAREJV-OAHLLOKOSA-N 2 2 273.384 2.115 10 0 CEAELP CCc1cc(N(C)C[C@H]2CCC[N@H+]2CC)nc(C)[nH+]1 ZINC000302114409 201345093 /nfs/dbraw/zinc/34/50/93/201345093.db2.gz VPVYZBSNQJJPJA-CQSZACIVSA-N 2 2 262.401 2.268 10 0 CEAELP CCc1cc(N(C)C[C@H]2CCC[N@@H+]2CC)nc(C)[nH+]1 ZINC000302114409 201345096 /nfs/dbraw/zinc/34/50/96/201345096.db2.gz VPVYZBSNQJJPJA-CQSZACIVSA-N 2 2 262.401 2.268 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CCC2(C1)CC[NH2+]CC2 ZINC000335299380 364681079 /nfs/dbraw/zinc/68/10/79/364681079.db2.gz PQYAXUAJBYLEHH-UHFFFAOYSA-N 2 2 270.380 2.153 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000116399427 365053721 /nfs/dbraw/zinc/05/37/21/365053721.db2.gz WOFSURYALIQSOD-ZDUSSCGKSA-N 2 2 279.384 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000116399427 365053728 /nfs/dbraw/zinc/05/37/28/365053728.db2.gz WOFSURYALIQSOD-ZDUSSCGKSA-N 2 2 279.384 2.036 10 0 CEAELP Cc1cnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000173779066 367943862 /nfs/dbraw/zinc/94/38/62/367943862.db2.gz DZWDSZNJTWDTFO-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)o1 ZINC000173779066 367943868 /nfs/dbraw/zinc/94/38/68/367943868.db2.gz DZWDSZNJTWDTFO-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP COc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000186122800 368922751 /nfs/dbraw/zinc/92/27/51/368922751.db2.gz BYRBLYASWYYVMR-OLZOCXBDSA-N 2 2 298.452 2.254 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000191941860 369755375 /nfs/dbraw/zinc/75/53/75/369755375.db2.gz PNZIBPCTOVEIOK-ZDUSSCGKSA-N 2 2 260.341 2.271 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000191941860 369755382 /nfs/dbraw/zinc/75/53/82/369755382.db2.gz PNZIBPCTOVEIOK-ZDUSSCGKSA-N 2 2 260.341 2.271 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000246822189 371016204 /nfs/dbraw/zinc/01/62/04/371016204.db2.gz CMQGGLSHHRXRAK-ZBFHGGJFSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cn2c1 ZINC000246822189 371016210 /nfs/dbraw/zinc/01/62/10/371016210.db2.gz CMQGGLSHHRXRAK-ZBFHGGJFSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000247068261 371060124 /nfs/dbraw/zinc/06/01/24/371060124.db2.gz OLTIEDXXCDIWRW-IAGOWNOFSA-N 2 2 285.391 2.390 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000247068261 371060129 /nfs/dbraw/zinc/06/01/29/371060129.db2.gz OLTIEDXXCDIWRW-IAGOWNOFSA-N 2 2 285.391 2.390 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249117464 371296226 /nfs/dbraw/zinc/29/62/26/371296226.db2.gz ONXNSFXNJVEDGE-HIFRSBDPSA-N 2 2 265.401 2.243 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249117464 371296235 /nfs/dbraw/zinc/29/62/35/371296235.db2.gz ONXNSFXNJVEDGE-HIFRSBDPSA-N 2 2 265.401 2.243 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3F)C[C@H]12 ZINC000261604434 371674894 /nfs/dbraw/zinc/67/48/94/371674894.db2.gz RAYGIDXKDIPQQK-QEVYDEPDSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@H]12 ZINC000261604434 371674901 /nfs/dbraw/zinc/67/49/01/371674901.db2.gz RAYGIDXKDIPQQK-QEVYDEPDSA-N 2 2 270.298 2.273 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261887878 371762871 /nfs/dbraw/zinc/76/28/71/371762871.db2.gz ZGPGCMPBLKTRQY-HNNXBMFYSA-N 2 2 285.395 2.006 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261933957 371777095 /nfs/dbraw/zinc/77/70/95/371777095.db2.gz DAUYDCJIMHSENH-UGSOOPFHSA-N 2 2 298.434 2.327 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261933957 371777103 /nfs/dbraw/zinc/77/71/03/371777103.db2.gz DAUYDCJIMHSENH-UGSOOPFHSA-N 2 2 298.434 2.327 10 0 CEAELP [NH3+]C[C@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000261995370 371795138 /nfs/dbraw/zinc/79/51/38/371795138.db2.gz SSXLISKZQPLOEV-CQSZACIVSA-N 2 2 250.411 2.343 10 0 CEAELP [NH3+]C[C@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000261995370 371795141 /nfs/dbraw/zinc/79/51/41/371795141.db2.gz SSXLISKZQPLOEV-CQSZACIVSA-N 2 2 250.411 2.343 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262063348 371816419 /nfs/dbraw/zinc/81/64/19/371816419.db2.gz RKHUROVHFVQBAG-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1[NH3+] ZINC000262063348 371816428 /nfs/dbraw/zinc/81/64/28/371816428.db2.gz RKHUROVHFVQBAG-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP COc1ccc2oc(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2c1 ZINC000262071182 371817110 /nfs/dbraw/zinc/81/71/10/371817110.db2.gz SAXXBOKSVFQXRO-HZMBPMFUSA-N 2 2 260.337 2.220 10 0 CEAELP COc1ccc2oc(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)cc2c1 ZINC000262071182 371817113 /nfs/dbraw/zinc/81/71/13/371817113.db2.gz SAXXBOKSVFQXRO-HZMBPMFUSA-N 2 2 260.337 2.220 10 0 CEAELP Cc1nc2ccc(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2s1 ZINC000262100203 371823485 /nfs/dbraw/zinc/82/34/85/371823485.db2.gz VNRLYBYUBQPDNG-JOYOIKCWSA-N 2 2 261.394 2.384 10 0 CEAELP Cc1nc2ccc(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)cc2s1 ZINC000262100203 371823486 /nfs/dbraw/zinc/82/34/86/371823486.db2.gz VNRLYBYUBQPDNG-JOYOIKCWSA-N 2 2 261.394 2.384 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+](Cc2ccccc2)CC2CCC2)no1 ZINC000262121259 371826680 /nfs/dbraw/zinc/82/66/80/371826680.db2.gz BZVJTEZYQCJTEB-UHFFFAOYSA-N 2 2 286.379 2.331 10 0 CEAELP [NH3+]Cc1nc(C[N@H+](Cc2ccccc2)CC2CCC2)no1 ZINC000262121259 371826689 /nfs/dbraw/zinc/82/66/89/371826689.db2.gz BZVJTEZYQCJTEB-UHFFFAOYSA-N 2 2 286.379 2.331 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000361661559 372011765 /nfs/dbraw/zinc/01/17/65/372011765.db2.gz GLDKOLXISWQMFA-FMKPAKJESA-N 2 2 262.397 2.131 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000361661559 372011767 /nfs/dbraw/zinc/01/17/67/372011767.db2.gz GLDKOLXISWQMFA-FMKPAKJESA-N 2 2 262.397 2.131 10 0 CEAELP CCC[NH2+][C@@H](C)c1csc(N2CCn3cc[nH+]c3C2)n1 ZINC000080830871 177712625 /nfs/dbraw/zinc/71/26/25/177712625.db2.gz OITJSJRNQFKNRL-NSHDSACASA-N 2 2 291.424 2.420 10 0 CEAELP CCc1[nH+]ccn1-c1nc(C(F)(F)F)ccc1C[NH3+] ZINC000094334383 184782334 /nfs/dbraw/zinc/78/23/34/184782334.db2.gz JOJCUJNHDVTUNX-UHFFFAOYSA-N 2 2 270.258 2.307 10 0 CEAELP C[NH+](C)c1ccc(N2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071199180 134961221 /nfs/dbraw/zinc/96/12/21/134961221.db2.gz NREWYIGPJSLWAE-AWEZNQCLSA-N 2 2 259.397 2.473 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000086120023 135038514 /nfs/dbraw/zinc/03/85/14/135038514.db2.gz MYGDQQOHSYSUOS-QGZVFWFLSA-N 2 2 273.424 2.326 10 0 CEAELP C[C@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000086676379 135048224 /nfs/dbraw/zinc/04/82/24/135048224.db2.gz PAVMGDQTNDKNBY-DOTOQJQBSA-N 2 2 273.424 2.326 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000086817589 135048266 /nfs/dbraw/zinc/04/82/66/135048266.db2.gz YSVIIPHZROGNQM-HNNXBMFYSA-N 3 2 288.439 2.124 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000086817589 135048268 /nfs/dbraw/zinc/04/82/68/135048268.db2.gz YSVIIPHZROGNQM-HNNXBMFYSA-N 3 2 288.439 2.124 10 0 CEAELP c1cc(N2CCCCC2)[nH+]cc1NCC1CC[NH2+]CC1 ZINC000094009849 135083082 /nfs/dbraw/zinc/08/30/82/135083082.db2.gz MATNXQGEUPXAQN-UHFFFAOYSA-N 2 2 274.412 2.483 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1[NH3+] ZINC000235394337 394483617 /nfs/dbraw/zinc/48/36/17/394483617.db2.gz CBCOJUJDJIYSMS-RISCZKNCSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1[NH3+] ZINC000235394337 394483620 /nfs/dbraw/zinc/48/36/20/394483620.db2.gz CBCOJUJDJIYSMS-RISCZKNCSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636694 394503367 /nfs/dbraw/zinc/50/33/67/394503367.db2.gz XDXPYPGKKUCXHD-KFWWJZLASA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636694 394503368 /nfs/dbraw/zinc/50/33/68/394503368.db2.gz XDXPYPGKKUCXHD-KFWWJZLASA-N 2 2 254.418 2.075 10 0 CEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000649577090 396196283 /nfs/dbraw/zinc/19/62/83/396196283.db2.gz XRGZXXDCBVHNJP-LSDHHAIUSA-N 2 2 254.418 2.002 10 0 CEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000649577090 396196285 /nfs/dbraw/zinc/19/62/85/396196285.db2.gz XRGZXXDCBVHNJP-LSDHHAIUSA-N 2 2 254.418 2.002 10 0 CEAELP Cc1nnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516166 153294089 /nfs/dbraw/zinc/29/40/89/153294089.db2.gz CWRVHNFMKPRTOL-ZDUSSCGKSA-N 2 2 287.367 2.015 10 0 CEAELP Cc1nnc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000195516166 153294092 /nfs/dbraw/zinc/29/40/92/153294092.db2.gz CWRVHNFMKPRTOL-ZDUSSCGKSA-N 2 2 287.367 2.015 10 0 CEAELP CC[N@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302754629 154186700 /nfs/dbraw/zinc/18/67/00/154186700.db2.gz IGJYWVPVKHYZKF-CYBMUJFWSA-N 2 2 262.401 2.439 10 0 CEAELP CC[N@@H+](C)[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302754629 154186705 /nfs/dbraw/zinc/18/67/05/154186705.db2.gz IGJYWVPVKHYZKF-CYBMUJFWSA-N 2 2 262.401 2.439 10 0 CEAELP CC[N@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302755206 154194941 /nfs/dbraw/zinc/19/49/41/154194941.db2.gz IGJYWVPVKHYZKF-ZDUSSCGKSA-N 2 2 262.401 2.439 10 0 CEAELP CC[N@@H+](C)[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302755206 154194944 /nfs/dbraw/zinc/19/49/44/154194944.db2.gz IGJYWVPVKHYZKF-ZDUSSCGKSA-N 2 2 262.401 2.439 10 0 CEAELP COc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)ccc1O ZINC000020126910 171011844 /nfs/dbraw/zinc/01/18/44/171011844.db2.gz DYMRJPFYVKLQID-LBPRGKRZSA-N 2 2 264.369 2.147 10 0 CEAELP CCc1ccccc1OC[C@@H](C[NH3+])[NH+]1CCCCC1 ZINC000020400803 171181342 /nfs/dbraw/zinc/18/13/42/171181342.db2.gz KFCHZYAEJNPTDN-OAHLLOKOSA-N 2 2 262.397 2.441 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000037174487 173008399 /nfs/dbraw/zinc/00/83/99/173008399.db2.gz VJJHUYQOCGCYRG-MNOVXSKESA-N 2 2 256.440 2.494 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000037174487 173008401 /nfs/dbraw/zinc/00/84/01/173008401.db2.gz VJJHUYQOCGCYRG-MNOVXSKESA-N 2 2 256.440 2.494 10 0 CEAELP CCCCCC[C@](C)(C[NH3+])[NH+](CCOC)CCOC ZINC000037489491 173231810 /nfs/dbraw/zinc/23/18/10/173231810.db2.gz FLLLNBQVNCIPSV-OAHLLOKOSA-N 2 2 274.449 2.269 10 0 CEAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1nc2ccccc2n1C ZINC000040638812 174362704 /nfs/dbraw/zinc/36/27/04/174362704.db2.gz VZLLUXKAVXASFE-GFCCVEGCSA-N 2 2 283.379 2.200 10 0 CEAELP C=COCCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671305 174369814 /nfs/dbraw/zinc/36/98/14/174369814.db2.gz LMCQDJSVURKATI-KRWDZBQOSA-N 2 2 274.408 2.443 10 0 CEAELP C=COCCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671305 174369816 /nfs/dbraw/zinc/36/98/16/174369816.db2.gz LMCQDJSVURKATI-KRWDZBQOSA-N 2 2 274.408 2.443 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673090 174371503 /nfs/dbraw/zinc/37/15/03/174371503.db2.gz ICYQDFWEVCEBAT-IUODEOHRSA-N 2 2 260.381 2.366 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCO2 ZINC000040673090 174371504 /nfs/dbraw/zinc/37/15/04/174371504.db2.gz ICYQDFWEVCEBAT-IUODEOHRSA-N 2 2 260.381 2.366 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCO2)c1C ZINC000043314846 175004494 /nfs/dbraw/zinc/00/44/94/175004494.db2.gz PELWDQNMOPPJGJ-HOCLYGCPSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)c1C ZINC000043314846 175004496 /nfs/dbraw/zinc/00/44/96/175004496.db2.gz PELWDQNMOPPJGJ-HOCLYGCPSA-N 2 2 262.397 2.414 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+]1CCCSCC1 ZINC000043335653 175011283 /nfs/dbraw/zinc/01/12/83/175011283.db2.gz OKZKVGCLBMOMGF-WCQYABFASA-N 2 2 254.399 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+]1CCCSCC1 ZINC000043335653 175011284 /nfs/dbraw/zinc/01/12/84/175011284.db2.gz OKZKVGCLBMOMGF-WCQYABFASA-N 2 2 254.399 2.497 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336136 175011792 /nfs/dbraw/zinc/01/17/92/175011792.db2.gz YLZOUAJOWMRTMO-IUODEOHRSA-N 2 2 266.385 2.295 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336136 175011793 /nfs/dbraw/zinc/01/17/93/175011793.db2.gz YLZOUAJOWMRTMO-IUODEOHRSA-N 2 2 266.385 2.295 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335917 175012017 /nfs/dbraw/zinc/01/20/17/175012017.db2.gz ZIJRMXSBDMHVEZ-TZMCWYRMSA-N 2 2 254.374 2.272 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043335917 175012020 /nfs/dbraw/zinc/01/20/20/175012020.db2.gz ZIJRMXSBDMHVEZ-TZMCWYRMSA-N 2 2 254.374 2.272 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340845 175014496 /nfs/dbraw/zinc/01/44/96/175014496.db2.gz KGILPGZHJAXIMN-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340845 175014498 /nfs/dbraw/zinc/01/44/98/175014498.db2.gz KGILPGZHJAXIMN-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345941 175017116 /nfs/dbraw/zinc/01/71/16/175017116.db2.gz UHJZGJDDPJYASA-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345941 175017118 /nfs/dbraw/zinc/01/71/18/175017118.db2.gz UHJZGJDDPJYASA-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347088 175017857 /nfs/dbraw/zinc/01/78/57/175017857.db2.gz DQAZNCNYSCJMSX-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347088 175017859 /nfs/dbraw/zinc/01/78/59/175017859.db2.gz DQAZNCNYSCJMSX-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353158 175020313 /nfs/dbraw/zinc/02/03/13/175020313.db2.gz HWLJIHKWHHEPHG-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353158 175020315 /nfs/dbraw/zinc/02/03/15/175020315.db2.gz HWLJIHKWHHEPHG-DLBZAZTESA-N 2 2 284.407 2.430 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354613 175022657 /nfs/dbraw/zinc/02/26/57/175022657.db2.gz JKNUKXUQSPEBJU-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354613 175022658 /nfs/dbraw/zinc/02/26/58/175022658.db2.gz JKNUKXUQSPEBJU-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(CO)CC1 ZINC000043364003 175024599 /nfs/dbraw/zinc/02/45/99/175024599.db2.gz OVSGGGHRCOUOKI-HIFRSBDPSA-N 2 2 266.385 2.071 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363835 175024829 /nfs/dbraw/zinc/02/48/29/175024829.db2.gz WSPQHPKCAJLBHX-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363835 175024830 /nfs/dbraw/zinc/02/48/30/175024830.db2.gz WSPQHPKCAJLBHX-NFAWXSAZSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811302 175110313 /nfs/dbraw/zinc/11/03/13/175110313.db2.gz DQJLDFVESHTIGH-QKGCVVFFSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000043811302 175110315 /nfs/dbraw/zinc/11/03/15/175110315.db2.gz DQJLDFVESHTIGH-QKGCVVFFSA-N 2 2 254.418 2.262 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCCCC1 ZINC000043815168 175111991 /nfs/dbraw/zinc/11/19/91/175111991.db2.gz AIBCGADYUOPFDG-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCCCC1 ZINC000043815168 175111992 /nfs/dbraw/zinc/11/19/92/175111992.db2.gz AIBCGADYUOPFDG-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCOC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819734 175113755 /nfs/dbraw/zinc/11/37/55/175113755.db2.gz FIVCQDKKCHYDND-ZWKOTPCHSA-N 2 2 288.435 2.318 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C1CCOCC1 ZINC000043898365 175121134 /nfs/dbraw/zinc/12/11/34/175121134.db2.gz UUXPHPIWQUKBNT-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C1CCOCC1 ZINC000043898365 175121135 /nfs/dbraw/zinc/12/11/35/175121135.db2.gz UUXPHPIWQUKBNT-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[NH+](CC(C)C)CC(C)C)OCCO2 ZINC000043909586 175123408 /nfs/dbraw/zinc/12/34/08/175123408.db2.gz PZZFYMURBOBVBG-HOTGVXAUSA-N 2 2 298.471 2.484 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966363 175127960 /nfs/dbraw/zinc/12/79/60/175127960.db2.gz RKDHHLAGFRFJOX-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966363 175127962 /nfs/dbraw/zinc/12/79/62/175127962.db2.gz RKDHHLAGFRFJOX-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](C[N@H+](CCCOC)CCOC)c1ccccc1C ZINC000043970907 175131809 /nfs/dbraw/zinc/13/18/09/175131809.db2.gz NZEHZRARZYWMCE-QGZVFWFLSA-N 2 2 294.439 2.240 10 0 CEAELP C[NH2+][C@H](C[N@@H+](CCCOC)CCOC)c1ccccc1C ZINC000043970907 175131810 /nfs/dbraw/zinc/13/18/10/175131810.db2.gz NZEHZRARZYWMCE-QGZVFWFLSA-N 2 2 294.439 2.240 10 0 CEAELP CCc1ccc([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121210 175142520 /nfs/dbraw/zinc/14/25/20/175142520.db2.gz FFCXBFPOALJKSZ-QGZVFWFLSA-N 2 2 276.424 2.308 10 0 CEAELP CCc1ccc([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121210 175142521 /nfs/dbraw/zinc/14/25/21/175142521.db2.gz FFCXBFPOALJKSZ-QGZVFWFLSA-N 2 2 276.424 2.308 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+](CC)c1ccccc1C)C(N)=O ZINC000045369963 175363598 /nfs/dbraw/zinc/36/35/98/175363598.db2.gz RKRLRENTJUIVPC-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+](CC)c1ccccc1C)C(N)=O ZINC000045369963 175363600 /nfs/dbraw/zinc/36/36/00/175363600.db2.gz RKRLRENTJUIVPC-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070455941 175940416 /nfs/dbraw/zinc/94/04/16/175940416.db2.gz DVYUXYKGPFLMBF-ZDUSSCGKSA-N 2 2 272.327 2.129 10 0 CEAELP COc1ccc(C[C@@](C)(C[NH3+])[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000071169348 176049790 /nfs/dbraw/zinc/04/97/90/176049790.db2.gz FZRNUMPUMXKLOI-YOEHRIQHSA-N 2 2 292.423 2.066 10 0 CEAELP COc1ccc(C[C@@](C)(C[NH3+])[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000071169348 176049791 /nfs/dbraw/zinc/04/97/91/176049791.db2.gz FZRNUMPUMXKLOI-YOEHRIQHSA-N 2 2 292.423 2.066 10 0 CEAELP Cn1cc[nH+]c1Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000071275891 176106844 /nfs/dbraw/zinc/10/68/44/176106844.db2.gz MQQXKPYMVOZING-GFCCVEGCSA-N 2 2 258.369 2.242 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000071359188 176137865 /nfs/dbraw/zinc/13/78/65/176137865.db2.gz FOQOWUVKDBMBDE-INIZCTEOSA-N 2 2 288.439 2.270 10 0 CEAELP C[C@@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@H+]1CCn1cccn1 ZINC000071359188 176137868 /nfs/dbraw/zinc/13/78/68/176137868.db2.gz FOQOWUVKDBMBDE-INIZCTEOSA-N 2 2 288.439 2.270 10 0 CEAELP COc1ccc(C[C@@H]([NH3+])C[NH+](C)C)cc1C(C)C ZINC000071572681 176198725 /nfs/dbraw/zinc/19/87/25/176198725.db2.gz LZHYEEKCAMBHQT-CYBMUJFWSA-N 2 2 250.386 2.250 10 0 CEAELP Cc1ccc(C)c(C[NH+]2CCN(CCn3cc[nH+]c3)CC2)c1 ZINC000077120166 177226245 /nfs/dbraw/zinc/22/62/45/177226245.db2.gz HYKAZBAZXFIUNF-UHFFFAOYSA-N 2 2 298.434 2.318 10 0 CEAELP CC[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181124880 260565748 /nfs/dbraw/zinc/56/57/48/260565748.db2.gz OVAWLFJROVMNFG-AWEZNQCLSA-N 2 2 264.417 2.078 10 0 CEAELP CC[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181124880 260565750 /nfs/dbraw/zinc/56/57/50/260565750.db2.gz OVAWLFJROVMNFG-AWEZNQCLSA-N 2 2 264.417 2.078 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261893907 275787824 /nfs/dbraw/zinc/78/78/24/275787824.db2.gz VTUYSYQNOJRHCU-GFCCVEGCSA-N 2 2 250.390 2.023 10 0 CEAELP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCOC[C@@H]1C ZINC000301873051 279355770 /nfs/dbraw/zinc/35/57/70/279355770.db2.gz JGJKSTNYANSXMH-NEPJUHHUSA-N 2 2 274.368 2.084 10 0 CEAELP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCOC[C@@H]1C ZINC000301873051 279355773 /nfs/dbraw/zinc/35/57/73/279355773.db2.gz JGJKSTNYANSXMH-NEPJUHHUSA-N 2 2 274.368 2.084 10 0 CEAELP Cc1nc(N2C[C@H]3CCC[N@H+]3C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302046565 282012273 /nfs/dbraw/zinc/01/22/73/282012273.db2.gz LBAXXTRZUGTZJM-TZMCWYRMSA-N 2 2 286.423 2.337 10 0 CEAELP Cc1nc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302046565 282012274 /nfs/dbraw/zinc/01/22/74/282012274.db2.gz LBAXXTRZUGTZJM-TZMCWYRMSA-N 2 2 286.423 2.337 10 0 CEAELP CC1CCC(C[N@H+]2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000156650082 289199945 /nfs/dbraw/zinc/19/99/45/289199945.db2.gz XZPXXDWXPYJYGA-YMAMQOFZSA-N 2 2 254.418 2.075 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC000054628032 519907422 /nfs/dbraw/zinc/90/74/22/519907422.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 3 2 265.445 2.076 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC000054628032 519907427 /nfs/dbraw/zinc/90/74/27/519907427.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 3 2 265.445 2.076 10 0 CEAELP COC[C@@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511279 522221186 /nfs/dbraw/zinc/22/11/86/522221186.db2.gz AOZFJWHGRPYAFI-LLVKDONJSA-N 2 2 285.457 2.498 10 0 CEAELP COC[C@@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052511279 522221194 /nfs/dbraw/zinc/22/11/94/522221194.db2.gz AOZFJWHGRPYAFI-LLVKDONJSA-N 2 2 285.457 2.498 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@@H+]2CCOC[C@H]2C)CC1 ZINC000054557035 519560200 /nfs/dbraw/zinc/56/02/00/519560200.db2.gz MAHUSWRQNHQBMJ-WLYUNCDWSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@H+]2CCOC[C@H]2C)CC1 ZINC000054557035 519560206 /nfs/dbraw/zinc/56/02/06/519560206.db2.gz MAHUSWRQNHQBMJ-WLYUNCDWSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000054557036 519560403 /nfs/dbraw/zinc/56/04/03/519560403.db2.gz MAHUSWRQNHQBMJ-NFOMZHRRSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@H+]2CCOC[C@@H]2C)CC1 ZINC000054557036 519560410 /nfs/dbraw/zinc/56/04/10/519560410.db2.gz MAHUSWRQNHQBMJ-NFOMZHRRSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000052182850 519719673 /nfs/dbraw/zinc/71/96/73/519719673.db2.gz PMZXKJQVFPVUHM-JKSUJKDBSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000052182850 519719675 /nfs/dbraw/zinc/71/96/75/519719675.db2.gz PMZXKJQVFPVUHM-JKSUJKDBSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)[NH2+][C@@](C)(C[C@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068642042 519736828 /nfs/dbraw/zinc/73/68/28/519736828.db2.gz ZXDLVYPYZBDFBZ-GUYCJALGSA-N 2 2 289.423 2.023 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOCC2(C)C)c(C)o1 ZINC000052546204 519991679 /nfs/dbraw/zinc/99/16/79/519991679.db2.gz BAJBROJXZITFQE-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOCC2(C)C)c(C)o1 ZINC000052546204 519991685 /nfs/dbraw/zinc/99/16/85/519991685.db2.gz BAJBROJXZITFQE-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000052419900 519994575 /nfs/dbraw/zinc/99/45/75/519994575.db2.gz NBAPGOUYOLPKMT-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000052419900 519994583 /nfs/dbraw/zinc/99/45/83/519994583.db2.gz NBAPGOUYOLPKMT-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CCC[NH2+][C@@H](C[N@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074223 520009220 /nfs/dbraw/zinc/00/92/20/520009220.db2.gz QYVMVEMJLYZTDV-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@@H](C[N@@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074223 520009224 /nfs/dbraw/zinc/00/92/24/520009224.db2.gz QYVMVEMJLYZTDV-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543773 520021913 /nfs/dbraw/zinc/02/19/13/520021913.db2.gz JVSZSMSVCDTMBT-CMPLNLGQSA-N 2 2 251.399 2.237 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cs1 ZINC000052543773 520021919 /nfs/dbraw/zinc/02/19/19/520021919.db2.gz JVSZSMSVCDTMBT-CMPLNLGQSA-N 2 2 251.399 2.237 10 0 CEAELP CC[NH2+][C@@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)C(=O)OCC ZINC000068650089 520141481 /nfs/dbraw/zinc/14/14/81/520141481.db2.gz YKNUJNVYJGNZCF-ABAIWWIYSA-N 2 2 281.400 2.382 10 0 CEAELP CC[NH2+][C@@](Cn1cc[nH+]c1C(C)C)(C(=O)OCC)C1CC1 ZINC000069191725 520159896 /nfs/dbraw/zinc/15/98/96/520159896.db2.gz NNAXBOBRGOUVEN-MRXNPFEDSA-N 2 2 293.411 2.328 10 0 CEAELP CC[NH+](CC)CC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000069394130 520688361 /nfs/dbraw/zinc/68/83/61/520688361.db2.gz ROJSOJGNXOOLQI-UHFFFAOYSA-N 2 2 280.456 2.105 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237590 520966470 /nfs/dbraw/zinc/96/64/70/520966470.db2.gz CXFTVQJEFLRJDK-HNNXBMFYSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237590 520966476 /nfs/dbraw/zinc/96/64/76/520966476.db2.gz CXFTVQJEFLRJDK-HNNXBMFYSA-N 2 2 278.396 2.436 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+]1Cc2ccccc2C1)[NH2+]C ZINC000050912265 521145020 /nfs/dbraw/zinc/14/50/20/521145020.db2.gz CWUKWXKEFOXLRR-QGZVFWFLSA-N 2 2 290.407 2.324 10 0 CEAELP CC[N@H+](Cc1ccncc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590193 521424768 /nfs/dbraw/zinc/42/47/68/521424768.db2.gz WPODUZBQQXHPLK-AWEZNQCLSA-N 2 2 265.426 2.128 10 0 CEAELP CC[N@@H+](Cc1ccncc1)[C@]1(C[NH3+])CCCSC1 ZINC000061590193 521424774 /nfs/dbraw/zinc/42/47/74/521424774.db2.gz WPODUZBQQXHPLK-AWEZNQCLSA-N 2 2 265.426 2.128 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000062807217 522507049 /nfs/dbraw/zinc/50/70/49/522507049.db2.gz ALGPTMMUZGWITK-MEDUHNTESA-N 2 2 283.379 2.269 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](N(C)Cc1[nH+]ccn1C)C(C)(C)C ZINC000062247562 522646802 /nfs/dbraw/zinc/64/68/02/522646802.db2.gz GDTVRWMRPKESSS-DGCLKSJQSA-N 2 2 252.406 2.004 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502432 522707870 /nfs/dbraw/zinc/70/78/70/522707870.db2.gz PJRNHGJQTXCLHW-INIZCTEOSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@H+](Cc1ccc(F)cc1)Cc1cccnc1C(N)=[NH2+] ZINC000061658102 523251678 /nfs/dbraw/zinc/25/16/78/523251678.db2.gz ZRZXRPNZUNMIDE-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1ccc(F)cc1)Cc1cccnc1C(N)=[NH2+] ZINC000061658102 523251681 /nfs/dbraw/zinc/25/16/81/523251681.db2.gz ZRZXRPNZUNMIDE-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000068648724 524002565 /nfs/dbraw/zinc/00/25/65/524002565.db2.gz VEJZBJFIJXGFKD-MLGOLLRUSA-N 2 2 289.379 2.495 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049151229 524318418 /nfs/dbraw/zinc/31/84/18/524318418.db2.gz KSPPJGSNKVDFBB-CHWSQXEVSA-N 2 2 290.411 2.312 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000050596613 525352955 /nfs/dbraw/zinc/35/29/55/525352955.db2.gz FMVNCRDITIMDHQ-KGLIPLIRSA-N 2 2 280.437 2.441 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000050596613 525352961 /nfs/dbraw/zinc/35/29/61/525352961.db2.gz FMVNCRDITIMDHQ-KGLIPLIRSA-N 2 2 280.437 2.441 10 0 CEAELP Cc1oc(C[N@H+]2CCOC[C@@H]2C)cc1C[NH2+]C1CC1 ZINC000052475812 526771779 /nfs/dbraw/zinc/77/17/79/526771779.db2.gz QCQRMCWMWAOXTP-NSHDSACASA-N 2 2 264.369 2.061 10 0 CEAELP Cc1oc(C[N@@H+]2CCOC[C@@H]2C)cc1C[NH2+]C1CC1 ZINC000052475812 526771782 /nfs/dbraw/zinc/77/17/82/526771782.db2.gz QCQRMCWMWAOXTP-NSHDSACASA-N 2 2 264.369 2.061 10 0 CEAELP Cc1[nH]c(C[NH2+]CCn2c(C)nc3ccccc32)c[nH+]1 ZINC000054798587 526887807 /nfs/dbraw/zinc/88/78/07/526887807.db2.gz IMLSPIZALYSYQY-UHFFFAOYSA-N 2 2 269.352 2.166 10 0 CEAELP Cc1[nH+]c[nH]c1C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054797616 527214808 /nfs/dbraw/zinc/21/48/08/527214808.db2.gz WVFFDODPUQZLCO-JTQLQIEISA-N 2 2 255.325 2.445 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235351931 625335469 /nfs/dbraw/zinc/33/54/69/625335469.db2.gz FXHNTSXFTXIBBA-SKDRFNHKSA-N 2 2 258.287 2.484 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235351931 625335484 /nfs/dbraw/zinc/33/54/84/625335484.db2.gz FXHNTSXFTXIBBA-SKDRFNHKSA-N 2 2 258.287 2.484 10 0 CEAELP Clc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1Cl ZINC000259192989 628795851 /nfs/dbraw/zinc/79/58/51/628795851.db2.gz WOXYGXLSPZXULR-JTQLQIEISA-N 2 2 259.180 2.487 10 0 CEAELP CCCn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188401332 539178853 /nfs/dbraw/zinc/17/88/53/539178853.db2.gz MOYLQLKHMMJTCS-HNNXBMFYSA-N 2 2 273.384 2.154 10 0 CEAELP CCCn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188401332 539178854 /nfs/dbraw/zinc/17/88/54/539178854.db2.gz MOYLQLKHMMJTCS-HNNXBMFYSA-N 2 2 273.384 2.154 10 0 CEAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265966 539213465 /nfs/dbraw/zinc/21/34/65/539213465.db2.gz FVOBZVWNMPZDBE-GFCCVEGCSA-N 3 2 253.434 2.109 10 0 CEAELP CCC[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265966 539213466 /nfs/dbraw/zinc/21/34/66/539213466.db2.gz FVOBZVWNMPZDBE-GFCCVEGCSA-N 3 2 253.434 2.109 10 0 CEAELP CC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259873 539222369 /nfs/dbraw/zinc/22/23/69/539222369.db2.gz XMTDGABVECRJGV-ZBFHGGJFSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259873 539222371 /nfs/dbraw/zinc/22/23/71/539222371.db2.gz XMTDGABVECRJGV-ZBFHGGJFSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305259873 539222373 /nfs/dbraw/zinc/22/23/73/539222373.db2.gz XMTDGABVECRJGV-ZBFHGGJFSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305259873 539222375 /nfs/dbraw/zinc/22/23/75/539222375.db2.gz XMTDGABVECRJGV-ZBFHGGJFSA-N 2 2 264.413 2.210 10 0 CEAELP CC[N@@H+]1CCO[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000166122103 344475767 /nfs/dbraw/zinc/47/57/67/344475767.db2.gz HMGNKNLOKVLYSL-CQSZACIVSA-N 2 2 271.364 2.367 10 0 CEAELP CC[N@H+]1CCO[C@H](CNc2[nH+]ccc3ccccc32)C1 ZINC000166122103 344475769 /nfs/dbraw/zinc/47/57/69/344475769.db2.gz HMGNKNLOKVLYSL-CQSZACIVSA-N 2 2 271.364 2.367 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639482 344757455 /nfs/dbraw/zinc/75/74/55/344757455.db2.gz POEWTFPGSZKVRE-KKUMJFAQSA-N 2 2 277.437 2.170 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639482 344757459 /nfs/dbraw/zinc/75/74/59/344757459.db2.gz POEWTFPGSZKVRE-KKUMJFAQSA-N 2 2 277.437 2.170 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CC1([NH3+])CCCC1 ZINC000084165072 178811506 /nfs/dbraw/zinc/81/15/06/178811506.db2.gz MLCCVIPELCBHSM-ZDUSSCGKSA-N 2 2 292.427 2.076 10 0 CEAELP CCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000068649462 522594907 /nfs/dbraw/zinc/59/49/07/522594907.db2.gz FKFPPXUNMRVVNL-IAQYHMDHSA-N 2 2 279.384 2.080 10 0 CEAELP Cn1cc[nH+]c1C[C@H]([NH3+])[C@@H]1CSc2ccccc21 ZINC000097309909 185583108 /nfs/dbraw/zinc/58/31/08/185583108.db2.gz JLNOXBJFPTUJFM-NEPJUHHUSA-N 2 2 259.378 2.179 10 0 CEAELP CCCC[N@H+](CC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085301935 179010172 /nfs/dbraw/zinc/01/01/72/179010172.db2.gz WLXIKEIFHYXSPD-OAHLLOKOSA-N 2 2 250.386 2.393 10 0 CEAELP CCCC[N@@H+](CC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085301935 179010174 /nfs/dbraw/zinc/01/01/74/179010174.db2.gz WLXIKEIFHYXSPD-OAHLLOKOSA-N 2 2 250.386 2.393 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476080 179079505 /nfs/dbraw/zinc/07/95/05/179079505.db2.gz WLXJFUQLRZSZAR-IHRRRGAJSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CCOC ZINC000085476080 179079508 /nfs/dbraw/zinc/07/95/08/179079508.db2.gz WLXJFUQLRZSZAR-IHRRRGAJSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000085486742 179081474 /nfs/dbraw/zinc/08/14/74/179081474.db2.gz SFQLZPIPFNNVRJ-HIFRSBDPSA-N 2 2 254.418 2.121 10 0 CEAELP COCC[N@H+]1C[C@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000085486742 179081477 /nfs/dbraw/zinc/08/14/77/179081477.db2.gz SFQLZPIPFNNVRJ-HIFRSBDPSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1CCCOC ZINC000085498594 179083487 /nfs/dbraw/zinc/08/34/87/179083487.db2.gz OXQJILOEKYOWCF-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1CCCOC ZINC000085498594 179083489 /nfs/dbraw/zinc/08/34/89/179083489.db2.gz OXQJILOEKYOWCF-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573573 179099618 /nfs/dbraw/zinc/09/96/18/179099618.db2.gz LTHXSLULMPUEQM-SECBINFHSA-N 2 2 299.300 2.005 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616980 179104616 /nfs/dbraw/zinc/10/46/16/179104616.db2.gz QFDBUTUIKYBHBE-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616980 179104618 /nfs/dbraw/zinc/10/46/18/179104618.db2.gz QFDBUTUIKYBHBE-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C12CCCC2 ZINC000085680297 179113470 /nfs/dbraw/zinc/11/34/70/179113470.db2.gz HPMQFTIFDHVQTM-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)[C@@H]2CCO[C@@H]21 ZINC000085634163 179108761 /nfs/dbraw/zinc/10/87/61/179108761.db2.gz ZIXHLRSEHVUNGN-ZQNQSHIBSA-N 2 2 275.396 2.380 10 0 CEAELP C[NH2+][C@@H](Cc1cccc(Br)c1)C[NH+](C)C ZINC000085798839 179173023 /nfs/dbraw/zinc/17/30/23/179173023.db2.gz LMZVKMWTYDLNFI-LBPRGKRZSA-N 2 2 271.202 2.141 10 0 CEAELP CCC[C@H](COC)[N@@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1CC ZINC000086267558 179261656 /nfs/dbraw/zinc/26/16/56/179261656.db2.gz SOCFRTZPPOYFMB-RRFJBIMHSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@H](COC)[N@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1CC ZINC000086267558 179261657 /nfs/dbraw/zinc/26/16/57/179261657.db2.gz SOCFRTZPPOYFMB-RRFJBIMHSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291487 179265969 /nfs/dbraw/zinc/26/59/69/179265969.db2.gz NBWXRBNSOIFAGC-RDJZCZTQSA-N 3 2 281.488 2.428 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291487 179265971 /nfs/dbraw/zinc/26/59/71/179265971.db2.gz NBWXRBNSOIFAGC-RDJZCZTQSA-N 3 2 281.488 2.428 10 0 CEAELP CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297669 179267591 /nfs/dbraw/zinc/26/75/91/179267591.db2.gz NHMBNGCCYGMSDB-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CCC[NH2+]1 ZINC000086297669 179267593 /nfs/dbraw/zinc/26/75/93/179267593.db2.gz NHMBNGCCYGMSDB-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)ccn1 ZINC000086296316 179268051 /nfs/dbraw/zinc/26/80/51/179268051.db2.gz XWCTXTIXYLMTQJ-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)ccn1 ZINC000086296316 179268053 /nfs/dbraw/zinc/26/80/53/179268053.db2.gz XWCTXTIXYLMTQJ-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP [NH3+]C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333401 179273712 /nfs/dbraw/zinc/27/37/12/179273712.db2.gz UZFXKVKLAPBXAK-VHSXEESVSA-N 2 2 260.790 2.170 10 0 CEAELP CC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000086655225 179316792 /nfs/dbraw/zinc/31/67/92/179316792.db2.gz QWLJQNJLESQNFE-SJORKVTESA-N 2 2 276.424 2.316 10 0 CEAELP CC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000086655225 179316794 /nfs/dbraw/zinc/31/67/94/179316794.db2.gz QWLJQNJLESQNFE-SJORKVTESA-N 2 2 276.424 2.316 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835833 179349439 /nfs/dbraw/zinc/34/94/39/179349439.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835833 179349440 /nfs/dbraw/zinc/34/94/40/179349440.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000086835833 179349442 /nfs/dbraw/zinc/34/94/42/179349442.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH+]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000086835833 179349444 /nfs/dbraw/zinc/34/94/44/179349444.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086848160 179356321 /nfs/dbraw/zinc/35/63/21/179356321.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@]1(CN)CCC[NH+](CC)CC1 ZINC000086848160 179356324 /nfs/dbraw/zinc/35/63/24/179356324.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[NH+](CCOC)[C@]1(CN)CCC[N@H+](CC)CC1 ZINC000086848160 179356326 /nfs/dbraw/zinc/35/63/26/179356326.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 2 299.503 2.327 10 0 CEAELP CCC(CC)[NH+](CCOC)[C@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086848160 179356327 /nfs/dbraw/zinc/35/63/27/179356327.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 2 299.503 2.327 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836776 179351788 /nfs/dbraw/zinc/35/17/88/179351788.db2.gz NWKLRDAEQGNPQD-AWEZNQCLSA-N 2 2 287.411 2.083 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836776 179351790 /nfs/dbraw/zinc/35/17/90/179351790.db2.gz NWKLRDAEQGNPQD-AWEZNQCLSA-N 2 2 287.411 2.083 10 0 CEAELP Cc1c[nH+]c(N)c([C@]2(O)CCC[N@@H+](C(C)C)CC2)c1 ZINC000086867655 179360672 /nfs/dbraw/zinc/36/06/72/179360672.db2.gz SLGCQCZEPDBTSF-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP Cc1c[nH+]c(N)c([C@]2(O)CCC[N@H+](C(C)C)CC2)c1 ZINC000086867655 179360674 /nfs/dbraw/zinc/36/06/74/179360674.db2.gz SLGCQCZEPDBTSF-HNNXBMFYSA-N 2 2 263.385 2.054 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH2+]CCOC)(c2nc(C)cs2)CC1 ZINC000086851695 179359252 /nfs/dbraw/zinc/35/92/52/179359252.db2.gz XJMFBRWJZXMYGF-HNNXBMFYSA-N 2 2 297.468 2.389 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH2+]CCOC)(c2nc(C)cs2)CC1 ZINC000086851695 179359254 /nfs/dbraw/zinc/35/92/54/179359254.db2.gz XJMFBRWJZXMYGF-HNNXBMFYSA-N 2 2 297.468 2.389 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891879 179366480 /nfs/dbraw/zinc/36/64/80/179366480.db2.gz RWJDIKZZKDYZMM-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C)CC1 ZINC000086891879 179366481 /nfs/dbraw/zinc/36/64/81/179366481.db2.gz RWJDIKZZKDYZMM-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913304 179367120 /nfs/dbraw/zinc/36/71/20/179367120.db2.gz BQSFFYQTZQLDTC-GOEBONIOSA-N 2 2 276.428 2.387 10 0 CEAELP C[C@H]([NH3+])Cc1cc2ccccc2nc1-n1cc[nH+]c1 ZINC000104263882 185948246 /nfs/dbraw/zinc/94/82/46/185948246.db2.gz RLJFATKKJUMNSN-NSHDSACASA-N 2 2 252.321 2.310 10 0 CEAELP CC[N@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC000091019666 180087808 /nfs/dbraw/zinc/08/78/08/180087808.db2.gz ICVAKHFVVCFAIU-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[NH2+]C1 ZINC000091019666 180087809 /nfs/dbraw/zinc/08/78/09/180087809.db2.gz ICVAKHFVVCFAIU-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP FC(F)(F)S[C@H]1CC[N@H+](Cn2cc[nH+]c2)C1 ZINC000091252738 180114571 /nfs/dbraw/zinc/11/45/71/180114571.db2.gz PEKBNRLCPOYZDQ-QMMMGPOBSA-N 2 2 251.277 2.168 10 0 CEAELP FC(F)(F)S[C@H]1CC[N@@H+](Cn2cc[nH+]c2)C1 ZINC000091252738 180114573 /nfs/dbraw/zinc/11/45/73/180114573.db2.gz PEKBNRLCPOYZDQ-QMMMGPOBSA-N 2 2 251.277 2.168 10 0 CEAELP CCCNC(=O)C[C@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000091317509 180133861 /nfs/dbraw/zinc/13/38/61/180133861.db2.gz KTCGGNFNBBWLFF-OAHLLOKOSA-N 2 2 295.471 2.276 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[NH+]1CCC(CC)(CC)CC1 ZINC000091322908 180134579 /nfs/dbraw/zinc/13/45/79/180134579.db2.gz NDNIEIMLTDMRJE-HNNXBMFYSA-N 2 2 297.487 2.474 10 0 CEAELP CCCC1CC[NH+]([C@@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325400 180135166 /nfs/dbraw/zinc/13/51/66/180135166.db2.gz DUZACZGUSMKRJT-MRXNPFEDSA-N 2 2 295.471 2.228 10 0 CEAELP COCCC[N@H+](CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362581 180141562 /nfs/dbraw/zinc/14/15/62/180141562.db2.gz HTRDFESBIZMJAJ-ULQDDVLXSA-N 2 2 298.471 2.282 10 0 CEAELP COCCC[N@@H+](CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362581 180141565 /nfs/dbraw/zinc/14/15/65/180141565.db2.gz HTRDFESBIZMJAJ-ULQDDVLXSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091273571 180117782 /nfs/dbraw/zinc/11/77/82/180117782.db2.gz XLGPPWHVCDGASN-HOTGVXAUSA-N 2 2 271.364 2.384 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H]([NH2+]C1CCCCCC1)C(N)=O ZINC000091272619 180118211 /nfs/dbraw/zinc/11/82/11/180118211.db2.gz SMKHEIKXTLENQB-AWEZNQCLSA-N 2 2 278.400 2.303 10 0 CEAELP CCCN(CCC)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276189 180118810 /nfs/dbraw/zinc/11/88/10/180118810.db2.gz UVEBAUNTBZMDAL-CYBMUJFWSA-N 2 2 250.390 2.340 10 0 CEAELP c1[nH+]cn(C2CC2)c1C[NH2+][C@@H]1COc2ccccc21 ZINC000091276026 180118861 /nfs/dbraw/zinc/11/88/61/180118861.db2.gz DGSOLXJDOYOWFR-CQSZACIVSA-N 2 2 255.321 2.441 10 0 CEAELP CCCCN(CC)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276199 180120377 /nfs/dbraw/zinc/12/03/77/180120377.db2.gz JJNIFHXJPXIUAL-CYBMUJFWSA-N 2 2 250.390 2.340 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccs1)[N@H+](C)CC1CC(O)C1 ZINC000091451651 180158945 /nfs/dbraw/zinc/15/89/45/180158945.db2.gz NCBDVLFNZWZHNK-CXHDDBMJSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)CC1CC(O)C1 ZINC000091451651 180158947 /nfs/dbraw/zinc/15/89/47/180158947.db2.gz NCBDVLFNZWZHNK-CXHDDBMJSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463321 180162253 /nfs/dbraw/zinc/16/22/53/180162253.db2.gz VTOQRJAUUBRGGB-MMADZMRASA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1C)[N@@H+](C)CC1CC(O)C1 ZINC000091463321 180162254 /nfs/dbraw/zinc/16/22/54/180162254.db2.gz VTOQRJAUUBRGGB-MMADZMRASA-N 2 2 276.424 2.476 10 0 CEAELP CCC[NH2+]Cc1cncc(-n2cc[nH+]c2CCC)n1 ZINC000091422537 180151509 /nfs/dbraw/zinc/15/15/09/180151509.db2.gz SLFLHONZYSYPHE-UHFFFAOYSA-N 2 2 259.357 2.114 10 0 CEAELP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCC1 ZINC000091563637 180192975 /nfs/dbraw/zinc/19/29/75/180192975.db2.gz ZWMSBCGYWMFUKW-MRXNPFEDSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](NC)c1c[nH+]ccc1N ZINC000091599380 180202150 /nfs/dbraw/zinc/20/21/50/180202150.db2.gz MPVIFXRUOOVBCO-LSDHHAIUSA-N 2 2 264.417 2.435 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])C1CCOCC1)[NH+]1CCCCC1 ZINC000091608953 180205577 /nfs/dbraw/zinc/20/55/77/180205577.db2.gz BPRZZOZNOAWIOL-CABCVRRESA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@](C)([C@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608725 180205761 /nfs/dbraw/zinc/20/57/61/180205761.db2.gz HCNYIUUYSZWMMM-ZBFHGGJFSA-N 2 2 277.412 2.222 10 0 CEAELP CC[NH+](CC)C(CC)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091616194 180208141 /nfs/dbraw/zinc/20/81/41/180208141.db2.gz WKSKZAWAMYRWIV-HNNXBMFYSA-N 2 2 280.460 2.451 10 0 CEAELP C[NH2+][C@H](Cc1nn(C)c2ccccc12)C(C)(C)[NH+](C)C ZINC000091528624 180180344 /nfs/dbraw/zinc/18/03/44/180180344.db2.gz UBNVKJWAZOLSLL-OAHLLOKOSA-N 2 2 274.412 2.044 10 0 CEAELP [NH3+][C@H]([C@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641834 180213313 /nfs/dbraw/zinc/21/33/13/180213313.db2.gz DLISJRKMHDDZHO-UONOGXRCSA-N 2 2 252.402 2.149 10 0 CEAELP [NH3+][C@H](c1cnc2ccccc2c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720624 180235601 /nfs/dbraw/zinc/23/56/01/180235601.db2.gz XUOXLWZKRXNQLW-DJIMGWMZSA-N 2 2 283.375 2.098 10 0 CEAELP [NH3+][C@H](c1cnc2ccccc2c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720624 180235603 /nfs/dbraw/zinc/23/56/03/180235603.db2.gz XUOXLWZKRXNQLW-DJIMGWMZSA-N 2 2 283.375 2.098 10 0 CEAELP C[NH2+][C@H](c1cc(F)ccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721357 180238365 /nfs/dbraw/zinc/23/83/65/180238365.db2.gz HSKDOPKYWQTBRB-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1cc(F)ccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721357 180238366 /nfs/dbraw/zinc/23/83/66/180238366.db2.gz HSKDOPKYWQTBRB-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3C[N@H+](C)CCO3)sc21 ZINC000091722478 180240053 /nfs/dbraw/zinc/24/00/53/180240053.db2.gz ODXJTMRVRMZTBP-PWSUYJOCSA-N 2 2 295.452 2.379 10 0 CEAELP C[NH2+][C@@H]1CC(C)(C)Cc2nc([C@@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722478 180240054 /nfs/dbraw/zinc/24/00/54/180240054.db2.gz ODXJTMRVRMZTBP-PWSUYJOCSA-N 2 2 295.452 2.379 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054167 180312967 /nfs/dbraw/zinc/31/29/67/180312967.db2.gz TXJOJXAACYMABS-CJNGLKHVSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054167 180312969 /nfs/dbraw/zinc/31/29/69/180312969.db2.gz TXJOJXAACYMABS-CJNGLKHVSA-N 2 2 278.396 2.067 10 0 CEAELP C[N@H+](CC[NH2+]C1CC1)C[C@H]1Cc2ccccc2S1 ZINC000092262992 180355096 /nfs/dbraw/zinc/35/50/96/180355096.db2.gz HURHDEICVBRQFO-CQSZACIVSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](CC[NH2+]C1CC1)C[C@H]1Cc2ccccc2S1 ZINC000092262992 180355097 /nfs/dbraw/zinc/35/50/97/180355097.db2.gz HURHDEICVBRQFO-CQSZACIVSA-N 2 2 262.422 2.387 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275335 180356259 /nfs/dbraw/zinc/35/62/59/180356259.db2.gz MZELTBCYYUZKCW-LBPRGKRZSA-N 2 2 273.405 2.442 10 0 CEAELP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000092339579 180365266 /nfs/dbraw/zinc/36/52/66/180365266.db2.gz XODDMOQIFZTIJI-CYBMUJFWSA-N 2 2 251.374 2.255 10 0 CEAELP Cc1noc(C)c1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000092339579 180365268 /nfs/dbraw/zinc/36/52/68/180365268.db2.gz XODDMOQIFZTIJI-CYBMUJFWSA-N 2 2 251.374 2.255 10 0 CEAELP NNc1cccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000092369276 180370120 /nfs/dbraw/zinc/37/01/20/180370120.db2.gz AZZWICLTSXVGJV-AWEZNQCLSA-N 2 2 268.364 2.357 10 0 CEAELP NNc1cccc(C[N@H+]2CC[C@H](c3ccccc3)C2)[nH+]1 ZINC000092369276 180370121 /nfs/dbraw/zinc/37/01/21/180370121.db2.gz AZZWICLTSXVGJV-AWEZNQCLSA-N 2 2 268.364 2.357 10 0 CEAELP CCNc1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)n1 ZINC000092369348 180370267 /nfs/dbraw/zinc/37/02/67/180370267.db2.gz VUJJYKCLPVZWFJ-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)n1 ZINC000092369348 180370271 /nfs/dbraw/zinc/37/02/71/180370271.db2.gz VUJJYKCLPVZWFJ-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP COc1ccc(C[N@H+](C)Cc2cc(N)cc[nH+]2)cc1 ZINC000092418562 180380853 /nfs/dbraw/zinc/38/08/53/180380853.db2.gz NYINOPORGIZKIQ-UHFFFAOYSA-N 2 2 257.337 2.304 10 0 CEAELP COc1ccc(C[N@@H+](C)Cc2cc(N)cc[nH+]2)cc1 ZINC000092418562 180380857 /nfs/dbraw/zinc/38/08/57/180380857.db2.gz NYINOPORGIZKIQ-UHFFFAOYSA-N 2 2 257.337 2.304 10 0 CEAELP C[N@@H+](Cc1cc(Cl)ccn1)C[C@H]1CC[NH+](C)C1 ZINC000092416753 180381283 /nfs/dbraw/zinc/38/12/83/180381283.db2.gz NZVIQLDURBSSSR-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1cc(Cl)ccn1)C[C@H]1CC[NH+](C)C1 ZINC000092416753 180381284 /nfs/dbraw/zinc/38/12/84/180381284.db2.gz NZVIQLDURBSSSR-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cc(Cl)ccn1)C[C@H]1CC[N@H+](C)C1 ZINC000092416753 180381285 /nfs/dbraw/zinc/38/12/85/180381285.db2.gz NZVIQLDURBSSSR-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cc(Cl)ccn1)C[C@H]1CC[N@@H+](C)C1 ZINC000092416753 180381286 /nfs/dbraw/zinc/38/12/86/180381286.db2.gz NZVIQLDURBSSSR-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP CCCNc1cc[nH+]c(CN2CCn3cc[nH+]c3C2)c1 ZINC000092419102 180381807 /nfs/dbraw/zinc/38/18/07/180381807.db2.gz UBORTHGPEKFESX-UHFFFAOYSA-N 2 2 271.368 2.116 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([NH+]1CCSCC1)CCC2 ZINC000092384591 180374095 /nfs/dbraw/zinc/37/40/95/180374095.db2.gz MWXRWLKSRRKPAG-MRXNPFEDSA-N 2 2 292.448 2.234 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@@H]([NH3+])C3)cc1OC ZINC000107827686 186194170 /nfs/dbraw/zinc/19/41/70/186194170.db2.gz JLUGXNOEJMQCLL-ZYHUDNBSSA-N 2 2 287.363 2.402 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154410 186360824 /nfs/dbraw/zinc/36/08/24/186360824.db2.gz UKZNCLFGKQCVRV-IJEWVQPXSA-N 2 2 262.397 2.433 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154410 186360826 /nfs/dbraw/zinc/36/08/26/186360826.db2.gz UKZNCLFGKQCVRV-IJEWVQPXSA-N 2 2 262.397 2.433 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160363 186362706 /nfs/dbraw/zinc/36/27/06/186362706.db2.gz VMXLMCHVGKJFCL-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160363 186362709 /nfs/dbraw/zinc/36/27/09/186362709.db2.gz VMXLMCHVGKJFCL-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117275 186354863 /nfs/dbraw/zinc/35/48/63/186354863.db2.gz PJOCWQNUJJQMPW-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1cccc(OCC)c1 ZINC000111117275 186354865 /nfs/dbraw/zinc/35/48/65/186354865.db2.gz PJOCWQNUJJQMPW-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+](C)CCC[NH+](C)C ZINC000111136427 186356933 /nfs/dbraw/zinc/35/69/33/186356933.db2.gz DBXHLRFHWHXCLG-CYBMUJFWSA-N 3 2 279.428 2.098 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111136427 186356935 /nfs/dbraw/zinc/35/69/35/186356935.db2.gz DBXHLRFHWHXCLG-CYBMUJFWSA-N 3 2 279.428 2.098 10 0 CEAELP CCC[NH2+]CC1(C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000111148282 186358228 /nfs/dbraw/zinc/35/82/28/186358228.db2.gz MWPWKAQMSLWWHW-UHFFFAOYSA-N 3 2 269.477 2.430 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000111148282 186358230 /nfs/dbraw/zinc/35/82/30/186358230.db2.gz MWPWKAQMSLWWHW-UHFFFAOYSA-N 3 2 269.477 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154329 186360355 /nfs/dbraw/zinc/36/03/55/186360355.db2.gz ROEVTLKJPWNLKX-CWRNSKLLSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154329 186360357 /nfs/dbraw/zinc/36/03/57/186360357.db2.gz ROEVTLKJPWNLKX-CWRNSKLLSA-N 2 2 277.412 2.218 10 0 CEAELP CC[NH2+]C[C@]1(C[N@H+](C)Cc2ccco2)CCCOC1 ZINC000111325132 186398179 /nfs/dbraw/zinc/39/81/79/186398179.db2.gz WCXLZPURKKHCFR-HNNXBMFYSA-N 2 2 266.385 2.118 10 0 CEAELP CC[NH2+]C[C@]1(C[N@@H+](C)Cc2ccco2)CCCOC1 ZINC000111325132 186398181 /nfs/dbraw/zinc/39/81/81/186398181.db2.gz WCXLZPURKKHCFR-HNNXBMFYSA-N 2 2 266.385 2.118 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000133571621 187693844 /nfs/dbraw/zinc/69/38/44/187693844.db2.gz IVABATPKWNXZGI-MDZLAQPJSA-N 2 2 284.350 2.382 10 0 CEAELP O[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151246181 366633962 /nfs/dbraw/zinc/63/39/62/366633962.db2.gz NYPHKYQIOAPBBQ-NVXWUHKLSA-N 2 2 292.398 2.249 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000178319101 189107173 /nfs/dbraw/zinc/10/71/73/189107173.db2.gz FAVLMIMJCWACCI-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000178319101 189107174 /nfs/dbraw/zinc/10/71/74/189107174.db2.gz FAVLMIMJCWACCI-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000178286146 189103358 /nfs/dbraw/zinc/10/33/58/189103358.db2.gz AKFGCDXYTRUJAX-ZDUSSCGKSA-N 2 2 287.367 2.117 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000178286146 189103359 /nfs/dbraw/zinc/10/33/59/189103359.db2.gz AKFGCDXYTRUJAX-ZDUSSCGKSA-N 2 2 287.367 2.117 10 0 CEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH2+]CC1 ZINC000004262661 361307664 /nfs/dbraw/zinc/30/76/64/361307664.db2.gz HMSOFTWOECICPS-UHFFFAOYSA-N 2 2 255.321 2.055 10 0 CEAELP CC[NH+](CC)CCNc1cc(N2CCC[C@@H](C)C2)[nH+]cn1 ZINC000152854779 366717903 /nfs/dbraw/zinc/71/79/03/366717903.db2.gz FMQHTEBUKABABM-CQSZACIVSA-N 2 2 291.443 2.467 10 0 CEAELP [NH3+]CCNc1c(C(=O)C(F)(F)F)c[nH+]c2ccccc21 ZINC000097757691 364517648 /nfs/dbraw/zinc/51/76/48/364517648.db2.gz LELYVJIYQLLZIA-UHFFFAOYSA-N 2 2 283.253 2.350 10 0 CEAELP C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120773845 365474407 /nfs/dbraw/zinc/47/44/07/365474407.db2.gz OIFTWBQXXMJFDS-ZIAGYGMSSA-N 2 2 271.364 2.482 10 0 CEAELP C[C@@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000631841126 367584163 /nfs/dbraw/zinc/58/41/63/367584163.db2.gz YHZWXOFHEHYARU-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@@H]1C[NH3+] ZINC000631841126 367584169 /nfs/dbraw/zinc/58/41/69/367584169.db2.gz YHZWXOFHEHYARU-MNOVXSKESA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000173345874 367899677 /nfs/dbraw/zinc/89/96/77/367899677.db2.gz POVUWTBLIZYLLJ-GXTWGEPZSA-N 2 2 298.377 2.462 10 0 CEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460715 370480818 /nfs/dbraw/zinc/48/08/18/370480818.db2.gz KPPSZDOOOFDIBI-MRXNPFEDSA-N 3 2 284.407 2.446 10 0 CEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460715 370480825 /nfs/dbraw/zinc/48/08/25/370480825.db2.gz KPPSZDOOOFDIBI-MRXNPFEDSA-N 3 2 284.407 2.446 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000247363688 371099114 /nfs/dbraw/zinc/09/91/14/371099114.db2.gz MSWFIYXIJHHBSX-RDJZCZTQSA-N 2 2 274.408 2.326 10 0 CEAELP C[NH+](C)C[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CCO1 ZINC000247363688 371099121 /nfs/dbraw/zinc/09/91/21/371099121.db2.gz MSWFIYXIJHHBSX-RDJZCZTQSA-N 2 2 274.408 2.326 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)COC)C1 ZINC000247577439 371127471 /nfs/dbraw/zinc/12/74/71/371127471.db2.gz SKDQOXLNCCTISX-CHWSQXEVSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC000247577439 371127474 /nfs/dbraw/zinc/12/74/74/371127474.db2.gz SKDQOXLNCCTISX-CHWSQXEVSA-N 2 2 251.374 2.117 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC000249371359 371316491 /nfs/dbraw/zinc/31/64/91/371316491.db2.gz PBBDUOSVVHRZRY-HUUCEWRRSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000249371359 371316499 /nfs/dbraw/zinc/31/64/99/371316499.db2.gz PBBDUOSVVHRZRY-HUUCEWRRSA-N 2 2 263.385 2.225 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@H]12 ZINC000261548586 371641665 /nfs/dbraw/zinc/64/16/65/371641665.db2.gz JSBHULNAQQSQFR-JIMOISOXSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cn3)C[C@H]12 ZINC000261548586 371641667 /nfs/dbraw/zinc/64/16/67/371641667.db2.gz JSBHULNAQQSQFR-JIMOISOXSA-N 2 2 296.212 2.013 10 0 CEAELP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](CC)C(=O)OCC ZINC000261574777 371657673 /nfs/dbraw/zinc/65/76/73/371657673.db2.gz XVAPZIVIBMHUKH-UONOGXRCSA-N 2 2 270.417 2.040 10 0 CEAELP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](CC)C(=O)OCC ZINC000261574777 371657676 /nfs/dbraw/zinc/65/76/76/371657676.db2.gz XVAPZIVIBMHUKH-UONOGXRCSA-N 2 2 270.417 2.040 10 0 CEAELP CC(C)n1cc[nH+]c1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261613241 371680004 /nfs/dbraw/zinc/68/00/04/371680004.db2.gz CCBZAQYFRZTPEI-JKSUJKDBSA-N 2 2 284.407 2.391 10 0 CEAELP Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261689207 371701406 /nfs/dbraw/zinc/70/14/06/371701406.db2.gz IXZOZDSHHLLYAU-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261689207 371701410 /nfs/dbraw/zinc/70/14/10/371701410.db2.gz IXZOZDSHHLLYAU-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP CC(C)n1nccc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261979723 371788651 /nfs/dbraw/zinc/78/86/51/371788651.db2.gz RFGCWGJDKJWGIL-ZDUSSCGKSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)n1nccc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000261979723 371788656 /nfs/dbraw/zinc/78/86/56/371788656.db2.gz RFGCWGJDKJWGIL-ZDUSSCGKSA-N 2 2 250.390 2.038 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCCO[C@H](C[NH3+])C1 ZINC000313351519 376744709 /nfs/dbraw/zinc/74/47/09/376744709.db2.gz KPYAYNDVGHJWFQ-CQSZACIVSA-N 2 2 271.364 2.097 10 0 CEAELP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188418986 542322039 /nfs/dbraw/zinc/32/20/39/542322039.db2.gz IZFVHOIKOQJAAK-HNNXBMFYSA-N 2 2 287.411 2.499 10 0 CEAELP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188418986 542322041 /nfs/dbraw/zinc/32/20/41/542322041.db2.gz IZFVHOIKOQJAAK-HNNXBMFYSA-N 2 2 287.411 2.499 10 0 CEAELP CCC[NH2+][C@@H](Cc1[nH+]ccn1CC)Cc1ccccn1 ZINC000094145297 184756678 /nfs/dbraw/zinc/75/66/78/184756678.db2.gz IZRFQUGOPQSWKZ-OAHLLOKOSA-N 2 2 272.396 2.451 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000094159596 184757929 /nfs/dbraw/zinc/75/79/29/184757929.db2.gz MZQLKUIABATHCW-GFCCVEGCSA-N 2 2 278.425 2.431 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CSCCC1(C)C ZINC000094483098 184808537 /nfs/dbraw/zinc/80/85/37/184808537.db2.gz XDGMVZVBYWLSGT-NEPJUHHUSA-N 2 2 253.415 2.393 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000400534025 533554513 /nfs/dbraw/zinc/55/45/13/533554513.db2.gz SNTRSHWNVZYLBG-OLZOCXBDSA-N 2 2 260.385 2.092 10 0 CEAELP c1cc([NH+]2CCCC2)ccc1N1CC[NH2+][C@H](C2CC2)C1 ZINC000086148781 135039504 /nfs/dbraw/zinc/03/95/04/135039504.db2.gz XEGMQYLVUGYULP-KRWDZBQOSA-N 2 2 271.408 2.475 10 0 CEAELP C[C@@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000086676606 135048250 /nfs/dbraw/zinc/04/82/50/135048250.db2.gz IQETVHJVIUZCNR-RHSMWYFYSA-N 2 2 291.414 2.465 10 0 CEAELP CCn1c[nH+]cc1[C@H](C[NH3+])N1CCCc2ccccc21 ZINC000090174263 135062445 /nfs/dbraw/zinc/06/24/45/135062445.db2.gz INEJBYVPJAQSNU-HNNXBMFYSA-N 2 2 270.380 2.356 10 0 CEAELP CCCn1c[nH+]cc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000090236430 135062817 /nfs/dbraw/zinc/06/28/17/135062817.db2.gz MGEJVSTXKYCBLA-CQSZACIVSA-N 2 2 270.380 2.183 10 0 CEAELP COCC[NH+]1[C@@H](C)CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000301900244 394467204 /nfs/dbraw/zinc/46/72/04/394467204.db2.gz YXYYECBEGWJLAC-STQMWFEESA-N 2 2 288.395 2.108 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918624 394609336 /nfs/dbraw/zinc/60/93/36/394609336.db2.gz BIKQNICHZZKCAU-ZBFHGGJFSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918624 394609340 /nfs/dbraw/zinc/60/93/40/394609340.db2.gz BIKQNICHZZKCAU-ZBFHGGJFSA-N 3 2 276.428 2.082 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631014 394643549 /nfs/dbraw/zinc/64/35/49/394643549.db2.gz PPAAMOXWTUWCAX-AJNGGQMLSA-N 2 2 268.445 2.366 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000131737308 394917860 /nfs/dbraw/zinc/91/78/60/394917860.db2.gz HRKXYONTXIGYJN-HSBZDZAISA-N 2 2 297.443 2.116 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000131737308 394917866 /nfs/dbraw/zinc/91/78/66/394917866.db2.gz HRKXYONTXIGYJN-HSBZDZAISA-N 2 2 297.443 2.116 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc2c(c1)OCO2 ZINC000396633482 395217867 /nfs/dbraw/zinc/21/78/67/395217867.db2.gz MPMMBDKANNIIDD-DMDPSCGWSA-N 2 2 262.353 2.206 10 0 CEAELP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000395264680 400555180 /nfs/dbraw/zinc/55/51/80/400555180.db2.gz LHHVBGCZFLRUEM-OAHLLOKOSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000395264680 400555184 /nfs/dbraw/zinc/55/51/84/400555184.db2.gz LHHVBGCZFLRUEM-OAHLLOKOSA-N 2 2 282.815 2.195 10 0 CEAELP C[C@@H]1COCC[C@H]1[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000194968832 297145391 /nfs/dbraw/zinc/14/53/91/297145391.db2.gz SQNYJOYXOXYMBS-BMFZPTHFSA-N 2 2 262.397 2.304 10 0 CEAELP [NH3+]Cc1c(OCC[NH+]2CCOCC2)ccc2ccccc21 ZINC000011955340 170461806 /nfs/dbraw/zinc/46/18/06/170461806.db2.gz GREAUWKKZZMKEA-UHFFFAOYSA-N 2 2 286.375 2.010 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000037174543 173009557 /nfs/dbraw/zinc/00/95/57/173009557.db2.gz HKIHGVZVVWTHKI-MNOVXSKESA-N 2 2 256.440 2.494 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)s1 ZINC000037174543 173009559 /nfs/dbraw/zinc/00/95/59/173009559.db2.gz HKIHGVZVVWTHKI-MNOVXSKESA-N 2 2 256.440 2.494 10 0 CEAELP CC(C)=CC[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040673051 174371674 /nfs/dbraw/zinc/37/16/74/174371674.db2.gz ZQPYCGFVYZTOSE-MRXNPFEDSA-N 2 2 265.445 2.101 10 0 CEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717583 174384834 /nfs/dbraw/zinc/38/48/34/174384834.db2.gz NIHISDLDIDBVTH-BBRMVZONSA-N 2 2 270.380 2.214 10 0 CEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)C1 ZINC000040717583 174384835 /nfs/dbraw/zinc/38/48/35/174384835.db2.gz NIHISDLDIDBVTH-BBRMVZONSA-N 2 2 270.380 2.214 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c1OC ZINC000040717432 174384919 /nfs/dbraw/zinc/38/49/19/174384919.db2.gz DUQWFQKLLYQGQG-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c1OC ZINC000040717432 174384920 /nfs/dbraw/zinc/38/49/20/174384920.db2.gz DUQWFQKLLYQGQG-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP Cc1cccn2cc(C[N@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)nc12 ZINC000040750273 174395397 /nfs/dbraw/zinc/39/53/97/174395397.db2.gz AXNQJMZRDFYKAR-LQDVMPOASA-N 2 2 270.380 2.097 10 0 CEAELP Cc1cccn2cc(C[N@@H+]3[C@@H]4CC[C@H]3CC([NH3+])C4)nc12 ZINC000040750273 174395398 /nfs/dbraw/zinc/39/53/98/174395398.db2.gz AXNQJMZRDFYKAR-LQDVMPOASA-N 2 2 270.380 2.097 10 0 CEAELP COC[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314944 175004673 /nfs/dbraw/zinc/00/46/73/175004673.db2.gz IAARLTPUUGTAAC-WFASDCNBSA-N 2 2 250.386 2.270 10 0 CEAELP COC[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314944 175004674 /nfs/dbraw/zinc/00/46/74/175004674.db2.gz IAARLTPUUGTAAC-WFASDCNBSA-N 2 2 250.386 2.270 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339604 175013590 /nfs/dbraw/zinc/01/35/90/175013590.db2.gz KEQBVOUPOINHEH-WBVHZDCISA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339604 175013591 /nfs/dbraw/zinc/01/35/91/175013591.db2.gz KEQBVOUPOINHEH-WBVHZDCISA-N 2 2 284.407 2.430 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340835 175014864 /nfs/dbraw/zinc/01/48/64/175014864.db2.gz SGFYOWGETBRPMY-ZBFHGGJFSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](c1ccccn1)[C@H]([NH3+])CC ZINC000043340835 175014865 /nfs/dbraw/zinc/01/48/65/175014865.db2.gz SGFYOWGETBRPMY-ZBFHGGJFSA-N 2 2 279.428 2.343 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CC)[C@@H](C)COC ZINC000043341150 175015135 /nfs/dbraw/zinc/01/51/35/175015135.db2.gz YXAZSPDZPKHQRA-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CC)[C@@H](C)COC ZINC000043341150 175015136 /nfs/dbraw/zinc/01/51/36/175015136.db2.gz YXAZSPDZPKHQRA-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348319 175018676 /nfs/dbraw/zinc/01/86/76/175018676.db2.gz RAZDGZOPJPFQHL-IAGOWNOFSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348319 175018678 /nfs/dbraw/zinc/01/86/78/175018678.db2.gz RAZDGZOPJPFQHL-IAGOWNOFSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)CCOC ZINC000043364876 175025208 /nfs/dbraw/zinc/02/52/08/175025208.db2.gz GLRMCKWKTHCEEH-GXTWGEPZSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)CCOC ZINC000043364876 175025210 /nfs/dbraw/zinc/02/52/10/175025210.db2.gz GLRMCKWKTHCEEH-GXTWGEPZSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)CCOC ZINC000043364874 175025399 /nfs/dbraw/zinc/02/53/99/175025399.db2.gz GLRMCKWKTHCEEH-JSGCOSHPSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)CCOC ZINC000043364874 175025400 /nfs/dbraw/zinc/02/54/00/175025400.db2.gz GLRMCKWKTHCEEH-JSGCOSHPSA-N 2 2 254.374 2.335 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815017 175111493 /nfs/dbraw/zinc/11/14/93/175111493.db2.gz KYALIEXRPOKIDZ-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815017 175111495 /nfs/dbraw/zinc/11/14/95/175111495.db2.gz KYALIEXRPOKIDZ-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819101 175114028 /nfs/dbraw/zinc/11/40/28/175114028.db2.gz SHVIBJNRFAVOOP-LSDHHAIUSA-N 2 2 282.428 2.136 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[NH+](CC(C)C)CC(C)C ZINC000043909693 175123323 /nfs/dbraw/zinc/12/33/23/175123323.db2.gz GLFRQJDZANJZLA-GJZGRUSLSA-N 2 2 256.434 2.367 10 0 CEAELP CCC1CCC([N@H+](C)[C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968981 175130185 /nfs/dbraw/zinc/13/01/85/175130185.db2.gz SJZCHVYWUYTMSD-PFSRBDOWSA-N 2 2 254.418 2.264 10 0 CEAELP CCC1CCC([N@@H+](C)[C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968981 175130186 /nfs/dbraw/zinc/13/01/86/175130186.db2.gz SJZCHVYWUYTMSD-PFSRBDOWSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@@H](C[N@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969024 175130731 /nfs/dbraw/zinc/13/07/31/175130731.db2.gz XJXCWCFNEGEJRW-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@@H](C[N@@H+](C)[C@@H](C)COC)c1ccc(C)cc1 ZINC000043969024 175130733 /nfs/dbraw/zinc/13/07/33/175130733.db2.gz XJXCWCFNEGEJRW-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969818 175131330 /nfs/dbraw/zinc/13/13/30/175131330.db2.gz UPYJAAYHJPVEHG-SJORKVTESA-N 2 2 274.408 2.373 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969818 175131331 /nfs/dbraw/zinc/13/13/31/175131331.db2.gz UPYJAAYHJPVEHG-SJORKVTESA-N 2 2 274.408 2.373 10 0 CEAELP CC[NH+]1CCC(CN)([N@@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071328 175301119 /nfs/dbraw/zinc/30/11/19/175301119.db2.gz UVZXGULPDGPQMN-INIZCTEOSA-N 2 2 279.472 2.454 10 0 CEAELP CC[NH+]1CCC(CN)([N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000045071328 175301121 /nfs/dbraw/zinc/30/11/21/175301121.db2.gz UVZXGULPDGPQMN-INIZCTEOSA-N 2 2 279.472 2.454 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1C ZINC000045172150 175321567 /nfs/dbraw/zinc/32/15/67/175321567.db2.gz LFOAMOBFKJAJPJ-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1C ZINC000045172150 175321569 /nfs/dbraw/zinc/32/15/69/175321569.db2.gz LFOAMOBFKJAJPJ-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369950 175363978 /nfs/dbraw/zinc/36/39/78/175363978.db2.gz LUMJVYLIJVOUFO-INIZCTEOSA-N 2 2 277.412 2.065 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369950 175363979 /nfs/dbraw/zinc/36/39/79/175363979.db2.gz LUMJVYLIJVOUFO-INIZCTEOSA-N 2 2 277.412 2.065 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCC(C)CC1)[NH2+]C ZINC000045374789 175365952 /nfs/dbraw/zinc/36/59/52/175365952.db2.gz KVUAHBLLDDCLGX-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccccc2)[nH+]1 ZINC000045947138 175387759 /nfs/dbraw/zinc/38/77/59/175387759.db2.gz XMBPQZXUENVSPC-ZDUSSCGKSA-N 2 2 268.364 2.243 10 0 CEAELP CCc1nc(NC[C@H]2CCC[NH2+]C2)c(CC)c(C)[nH+]1 ZINC000045955050 175389125 /nfs/dbraw/zinc/38/91/25/175389125.db2.gz BIFRRDJIXIJMQA-LBPRGKRZSA-N 2 2 262.401 2.321 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090882 176031525 /nfs/dbraw/zinc/03/15/25/176031525.db2.gz FXXVMILERCASHJ-XJKSGUPXSA-N 2 2 271.364 2.175 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191826 176072604 /nfs/dbraw/zinc/07/26/04/176072604.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191826 176072605 /nfs/dbraw/zinc/07/26/05/176072605.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191826 176072606 /nfs/dbraw/zinc/07/26/06/176072606.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191826 176072607 /nfs/dbraw/zinc/07/26/07/176072607.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1[nH+]ccn1C ZINC000071275935 176106832 /nfs/dbraw/zinc/10/68/32/176106832.db2.gz LQHCCCJHIFWHOW-GOOCMWNKSA-N 2 2 276.428 2.305 10 0 CEAELP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000071293934 176111466 /nfs/dbraw/zinc/11/14/66/176111466.db2.gz AAVRCWMOEMSJKX-AWEZNQCLSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000071293934 176111467 /nfs/dbraw/zinc/11/14/67/176111467.db2.gz AAVRCWMOEMSJKX-AWEZNQCLSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CC[NH+]1CCCCC1 ZINC000071293892 176111543 /nfs/dbraw/zinc/11/15/43/176111543.db2.gz AKXFNSDWOCCBQD-UHFFFAOYSA-N 2 2 270.417 2.185 10 0 CEAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)CCCS2 ZINC000076369766 177006619 /nfs/dbraw/zinc/00/66/19/177006619.db2.gz YBHAHORECYYTPT-UHFFFAOYSA-N 2 2 264.438 2.419 10 0 CEAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)CCCS2 ZINC000076369766 177006620 /nfs/dbraw/zinc/00/66/20/177006620.db2.gz YBHAHORECYYTPT-UHFFFAOYSA-N 2 2 264.438 2.419 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261893908 276085930 /nfs/dbraw/zinc/08/59/30/276085930.db2.gz VTUYSYQNOJRHCU-LBPRGKRZSA-N 2 2 250.390 2.023 10 0 CEAELP Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000134121016 280013809 /nfs/dbraw/zinc/01/38/09/280013809.db2.gz QBUBRQPMWNHFNM-IJEWVQPXSA-N 2 2 262.397 2.413 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCCC3(CCCCC3)C2)no1 ZINC000261887937 295279837 /nfs/dbraw/zinc/27/98/37/295279837.db2.gz ZHVQWNCMEMJZNQ-UHFFFAOYSA-N 2 2 264.373 2.075 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCCC3(CCCCC3)C2)no1 ZINC000261887937 295279839 /nfs/dbraw/zinc/27/98/39/295279839.db2.gz ZHVQWNCMEMJZNQ-UHFFFAOYSA-N 2 2 264.373 2.075 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000053653010 519744846 /nfs/dbraw/zinc/74/48/46/519744846.db2.gz MDSHZJLFVKIHFY-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000053653010 519744848 /nfs/dbraw/zinc/74/48/48/519744848.db2.gz MDSHZJLFVKIHFY-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382747 519749520 /nfs/dbraw/zinc/74/95/20/519749520.db2.gz AVPAFWYZZAVKOL-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382747 519749521 /nfs/dbraw/zinc/74/95/21/519749521.db2.gz AVPAFWYZZAVKOL-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000049199083 519793544 /nfs/dbraw/zinc/79/35/44/519793544.db2.gz ADTBQPCQHWVRAY-CYBMUJFWSA-N 2 2 295.393 2.189 10 0 CEAELP CCCC1CC[NH+]([C@H]2COCC[C@@H]2[NH2+]CC)CC1 ZINC000050893604 519903368 /nfs/dbraw/zinc/90/33/68/519903368.db2.gz FLHMGBJRXROFTB-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCCCNC(=O)C[N@H+](CCC)C(CC)(CC)C[NH3+] ZINC000050092600 517560487 /nfs/dbraw/zinc/56/04/87/517560487.db2.gz KCXJKXGWCJLYFV-UHFFFAOYSA-N 2 2 271.449 2.132 10 0 CEAELP CCCCNC(=O)C[N@@H+](CCC)C(CC)(CC)C[NH3+] ZINC000050092600 517560500 /nfs/dbraw/zinc/56/05/00/517560500.db2.gz KCXJKXGWCJLYFV-UHFFFAOYSA-N 2 2 271.449 2.132 10 0 CEAELP CC(C)(C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068692807 518980841 /nfs/dbraw/zinc/98/08/41/518980841.db2.gz PXVWVIHVHOWCJP-CQSZACIVSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)C[C@@H]1CSC(N[C@@H](C)Cn2cc[nH+]c2)=[NH+]1 ZINC000049236456 519276752 /nfs/dbraw/zinc/27/67/52/519276752.db2.gz XKKDHVLQMVYBJN-NWDGAFQWSA-N 2 2 266.414 2.379 10 0 CEAELP CC(C)CC[NH2+]C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000053495847 519663436 /nfs/dbraw/zinc/66/34/36/519663436.db2.gz TYNFGLVOSKEADW-HNNXBMFYSA-N 3 2 269.477 2.284 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054554624 519803439 /nfs/dbraw/zinc/80/34/39/519803439.db2.gz QHKJWHDYTFKJHJ-QKGCVVFFSA-N 2 2 254.418 2.248 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000054554624 519803440 /nfs/dbraw/zinc/80/34/40/519803440.db2.gz QHKJWHDYTFKJHJ-QKGCVVFFSA-N 2 2 254.418 2.248 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697729 519804817 /nfs/dbraw/zinc/80/48/17/519804817.db2.gz DHMNSWHGYZMXNY-ZFWWWQNUSA-N 2 2 272.396 2.153 10 0 CEAELP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccs1 ZINC000068802616 519820882 /nfs/dbraw/zinc/82/08/82/519820882.db2.gz BNADLJDSOZRPGB-HIFRSBDPSA-N 2 2 281.469 2.281 10 0 CEAELP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccs1 ZINC000068802616 519820883 /nfs/dbraw/zinc/82/08/83/519820883.db2.gz BNADLJDSOZRPGB-HIFRSBDPSA-N 2 2 281.469 2.281 10 0 CEAELP CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)Cc2[nH+]ccn2C)C1 ZINC000062251524 519825789 /nfs/dbraw/zinc/82/57/89/519825789.db2.gz RUFAXGWNYCHAHT-BFHYXJOUSA-N 2 2 264.417 2.004 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC000054602943 519907614 /nfs/dbraw/zinc/90/76/14/519907614.db2.gz ANARWFWIVHJDFU-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC000054602943 519907619 /nfs/dbraw/zinc/90/76/19/519907619.db2.gz ANARWFWIVHJDFU-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000050892163 520107994 /nfs/dbraw/zinc/10/79/94/520107994.db2.gz HYINKQPKOGWYBD-ZDUSSCGKSA-N 2 2 257.337 2.238 10 0 CEAELP CC[NH2+][C@@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(N)=O ZINC000068648771 520142864 /nfs/dbraw/zinc/14/28/64/520142864.db2.gz NTRIBPMURVQKRN-BZNIZROVSA-N 2 2 288.395 2.149 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061270309 520170585 /nfs/dbraw/zinc/17/05/85/520170585.db2.gz MCFSLLRHRMGBIR-GFCCVEGCSA-N 2 2 272.352 2.199 10 0 CEAELP CCCOc1cccc([C@@H](C[NH3+])[N@H+](CC)CCOC)c1 ZINC000052921140 520465505 /nfs/dbraw/zinc/46/55/05/520465505.db2.gz BEKVFZJOBCYCMS-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCCOc1cccc([C@@H](C[NH3+])[N@@H+](CC)CCOC)c1 ZINC000052921140 520465512 /nfs/dbraw/zinc/46/55/12/520465512.db2.gz BEKVFZJOBCYCMS-MRXNPFEDSA-N 2 2 280.412 2.444 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631409 521183433 /nfs/dbraw/zinc/18/34/33/521183433.db2.gz JLFWCQYICIQGEM-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631409 521183440 /nfs/dbraw/zinc/18/34/40/521183440.db2.gz JLFWCQYICIQGEM-IJEWVQPXSA-N 2 2 282.428 2.040 10 0 CEAELP CCC[C@H]1C[NH2+][C@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697589 521223876 /nfs/dbraw/zinc/22/38/76/521223876.db2.gz VGMVVZSTSORQFG-HIFRSBDPSA-N 2 2 272.396 2.297 10 0 CEAELP CCOC(=O)[C@H](CCn1cc[nH+]c1C(C)C)[NH2+]C(C)C ZINC000062534506 521249307 /nfs/dbraw/zinc/24/93/07/521249307.db2.gz XMWAISHQQWHQRY-ZDUSSCGKSA-N 2 2 281.400 2.326 10 0 CEAELP CC[N@H+](Cc1csc(C[NH2+]C(C)C)n1)[C@@H](C)COC ZINC000052504653 521443043 /nfs/dbraw/zinc/44/30/43/521443043.db2.gz RCZCUQRSUGKECX-LBPRGKRZSA-N 2 2 285.457 2.498 10 0 CEAELP CC[N@@H+](Cc1csc(C[NH2+]C(C)C)n1)[C@@H](C)COC ZINC000052504653 521443048 /nfs/dbraw/zinc/44/30/48/521443048.db2.gz RCZCUQRSUGKECX-LBPRGKRZSA-N 2 2 285.457 2.498 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052544087 521565257 /nfs/dbraw/zinc/56/52/57/521565257.db2.gz SEPXKHSGLAUEAX-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052544087 521565262 /nfs/dbraw/zinc/56/52/62/521565262.db2.gz SEPXKHSGLAUEAX-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](C)[C@@H](C)COC ZINC000052203769 521930480 /nfs/dbraw/zinc/93/04/80/521930480.db2.gz ATLHVVDFNYTLLC-SWLSCSKDSA-N 2 2 250.386 2.216 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)COC ZINC000052203769 521930486 /nfs/dbraw/zinc/93/04/86/521930486.db2.gz ATLHVVDFNYTLLC-SWLSCSKDSA-N 2 2 250.386 2.216 10 0 CEAELP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540181 522109313 /nfs/dbraw/zinc/10/93/13/522109313.db2.gz VNDINRLTGOQVEH-GJZGRUSLSA-N 2 2 264.369 2.061 10 0 CEAELP C[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540181 522109324 /nfs/dbraw/zinc/10/93/24/522109324.db2.gz VNDINRLTGOQVEH-GJZGRUSLSA-N 2 2 264.369 2.061 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000062807216 522506345 /nfs/dbraw/zinc/50/63/45/522506345.db2.gz ALGPTMMUZGWITK-BZNIZROVSA-N 2 2 283.379 2.269 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCn2cc[nH+]c2C1 ZINC000062246610 522653825 /nfs/dbraw/zinc/65/38/25/522653825.db2.gz PLKFADMYRCDMRX-ZBFHGGJFSA-N 2 2 288.370 2.316 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2cccc3cccnc32)CC1 ZINC000069502434 522708472 /nfs/dbraw/zinc/70/84/72/522708472.db2.gz PJRNHGJQTXCLHW-MRXNPFEDSA-N 2 2 285.391 2.345 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@H](C)n1c(C)[nH+]c2ccccc21 ZINC000068648797 524002451 /nfs/dbraw/zinc/00/24/51/524002451.db2.gz QMQSXEGPLAYWHI-ZUZCIYMTSA-N 2 2 275.352 2.186 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419960 524496980 /nfs/dbraw/zinc/49/69/80/524496980.db2.gz VMONYTHLOBWNPE-ZDUSSCGKSA-N 3 2 255.450 2.179 10 0 CEAELP C[C@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515207 524478272 /nfs/dbraw/zinc/47/82/72/524478272.db2.gz USHZTWRIUCHJCJ-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000049554360 524479145 /nfs/dbraw/zinc/47/91/45/524479145.db2.gz YPKAHHRCKSKPET-JSGCOSHPSA-N 2 2 275.396 2.024 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419960 524496977 /nfs/dbraw/zinc/49/69/77/524496977.db2.gz VMONYTHLOBWNPE-ZDUSSCGKSA-N 3 2 255.450 2.179 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000050579044 525002278 /nfs/dbraw/zinc/00/22/78/525002278.db2.gz XGFCWJVUGAQGGG-QGZVFWFLSA-N 3 2 293.430 2.408 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CCN(C)Cc2[nH+]ccn2C)cc1 ZINC000062323426 525766908 /nfs/dbraw/zinc/76/69/08/525766908.db2.gz BOYHXWVJOHTNNZ-HNNXBMFYSA-N 2 2 272.396 2.250 10 0 CEAELP Cc1[nH+]c[nH]c1CNc1cccnc1-n1cc[nH+]c1C ZINC000054796637 527216206 /nfs/dbraw/zinc/21/62/06/527216206.db2.gz BBGPEOKOHZPMSM-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP [NH3+]C[C@]1([NH+]2CCN(c3ccccc3)CC2)CCCSC1 ZINC000061589921 527243178 /nfs/dbraw/zinc/24/31/78/527243178.db2.gz JXPPDEOTUFKEFD-MRXNPFEDSA-N 2 2 291.464 2.033 10 0 CEAELP [NH3+]Cc1ncccc1C[N@H+](Cc1ccco1)C1CC1 ZINC000061656850 527265685 /nfs/dbraw/zinc/26/56/85/527265685.db2.gz YBULKKKENVARFS-UHFFFAOYSA-N 2 2 257.337 2.298 10 0 CEAELP [NH3+]Cc1ncccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000061656850 527265689 /nfs/dbraw/zinc/26/56/89/527265689.db2.gz YBULKKKENVARFS-UHFFFAOYSA-N 2 2 257.337 2.298 10 0 CEAELP [NH3+][C@H](CC[NH+]1CCSCC1)c1ccccc1F ZINC000053977840 527385119 /nfs/dbraw/zinc/38/51/19/527385119.db2.gz CSXPUAZICJUHQG-CYBMUJFWSA-N 2 2 254.374 2.264 10 0 CEAELP CCN(CC)c1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000400332061 528313928 /nfs/dbraw/zinc/31/39/28/528313928.db2.gz FCNBOKSSNCDYFJ-OLZOCXBDSA-N 2 2 262.401 2.338 10 0 CEAELP Cc1c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cnn1C ZINC000093649965 623683110 /nfs/dbraw/zinc/68/31/10/623683110.db2.gz QCYVAPFWMPTZEL-AWEZNQCLSA-N 2 2 275.400 2.130 10 0 CEAELP Clc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1Cl ZINC000259192992 628795515 /nfs/dbraw/zinc/79/55/15/628795515.db2.gz WOXYGXLSPZXULR-SNVBAGLBSA-N 2 2 259.180 2.487 10 0 CEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016545 639519097 /nfs/dbraw/zinc/51/90/97/639519097.db2.gz FZJIVXXITAPSLS-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016545 639519101 /nfs/dbraw/zinc/51/91/01/639519101.db2.gz FZJIVXXITAPSLS-KBPBESRZSA-N 2 2 297.443 2.070 10 0 CEAELP C[C@@]1(c2c[nH+]cn2CCc2ccsc2)CC[NH2+]C1 ZINC000097022211 185153492 /nfs/dbraw/zinc/15/34/92/185153492.db2.gz YASYUSWPKGEPNP-CQSZACIVSA-N 2 2 261.394 2.438 10 0 CEAELP [NH3+]Cc1cc(Br)cc(-n2cc[nH+]c2)c1 ZINC000227599963 344555229 /nfs/dbraw/zinc/55/52/29/344555229.db2.gz WZXCIYDEDAPOIE-UHFFFAOYSA-N 2 2 252.115 2.094 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232130254 344576990 /nfs/dbraw/zinc/57/69/90/344576990.db2.gz TXBFKDYLLPIJQB-HOTGVXAUSA-N 2 2 270.461 2.494 10 0 CEAELP C[C@@H]([NH3+])C[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000084390586 178878492 /nfs/dbraw/zinc/87/84/92/178878492.db2.gz RCGYHFZHVDITDV-ZIAGYGMSSA-N 3 2 253.434 2.063 10 0 CEAELP Cn1nccc1C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179981301 232396822 /nfs/dbraw/zinc/39/68/22/232396822.db2.gz VUOQJZLVSIHHHP-UHFFFAOYSA-N 2 2 295.390 2.447 10 0 CEAELP CCCC[N@H+](CC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085301930 179009709 /nfs/dbraw/zinc/00/97/09/179009709.db2.gz WLXIKEIFHYXSPD-HNNXBMFYSA-N 2 2 250.386 2.393 10 0 CEAELP CCCC[N@@H+](CC[C@](C)(O)C[NH3+])c1ccccc1 ZINC000085301930 179009711 /nfs/dbraw/zinc/00/97/11/179009711.db2.gz WLXIKEIFHYXSPD-HNNXBMFYSA-N 2 2 250.386 2.393 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@@](C)(O)C[NH3+] ZINC000085304537 179012009 /nfs/dbraw/zinc/01/20/09/179012009.db2.gz KDSXEKGFWZTMEV-XHDPSFHLSA-N 2 2 261.369 2.260 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498980 179082977 /nfs/dbraw/zinc/08/29/77/179082977.db2.gz BEIBPVCFMIUUNZ-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498980 179082980 /nfs/dbraw/zinc/08/29/80/179082980.db2.gz BEIBPVCFMIUUNZ-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085528184 179091206 /nfs/dbraw/zinc/09/12/06/179091206.db2.gz NWEAVQMYAXQLIE-HOTGVXAUSA-N 2 2 276.428 2.126 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085626276 179106851 /nfs/dbraw/zinc/10/68/51/179106851.db2.gz OVFZBXPXQRQYQS-ZYHUDNBSSA-N 2 2 280.334 2.028 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085626276 179106853 /nfs/dbraw/zinc/10/68/53/179106853.db2.gz OVFZBXPXQRQYQS-ZYHUDNBSSA-N 2 2 280.334 2.028 10 0 CEAELP COc1ccccc1C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616185 179103601 /nfs/dbraw/zinc/10/36/01/179103601.db2.gz VBNLYWZQUOWNET-HNNXBMFYSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccccc1C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616185 179103603 /nfs/dbraw/zinc/10/36/03/179103603.db2.gz VBNLYWZQUOWNET-HNNXBMFYSA-N 2 2 260.381 2.269 10 0 CEAELP Cn1cc(C[N@@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000085615428 179104385 /nfs/dbraw/zinc/10/43/85/179104385.db2.gz YNHJIZOAIUEMBK-MRXNPFEDSA-N 2 2 276.428 2.164 10 0 CEAELP Cn1cc(C[N@H+]2CCC[NH2+][C@@H](C3CCCCC3)C2)cn1 ZINC000085615428 179104386 /nfs/dbraw/zinc/10/43/86/179104386.db2.gz YNHJIZOAIUEMBK-MRXNPFEDSA-N 2 2 276.428 2.164 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085622139 179105474 /nfs/dbraw/zinc/10/54/74/179105474.db2.gz TWVQVRCRHANQOV-SOUVJXGZSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)[C@@H](C)CC[NH2+]1 ZINC000085622139 179105475 /nfs/dbraw/zinc/10/54/75/179105475.db2.gz TWVQVRCRHANQOV-SOUVJXGZSA-N 2 2 254.418 2.121 10 0 CEAELP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@H]2CCO[C@@H]21 ZINC000085637372 179110108 /nfs/dbraw/zinc/11/01/08/179110108.db2.gz BSAMAVYLTWGWMP-MCIONIFRSA-N 2 2 263.385 2.066 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675454 179112578 /nfs/dbraw/zinc/11/25/78/179112578.db2.gz IIEXYNIQSKVNPJ-AJNGGQMLSA-N 2 2 266.429 2.264 10 0 CEAELP C[NH2+][C@@H](Cc1ccccc1Br)C[NH+](C)C ZINC000085799217 179173150 /nfs/dbraw/zinc/17/31/50/179173150.db2.gz ZIXSDXJIJRGZCM-NSHDSACASA-N 2 2 271.202 2.141 10 0 CEAELP COCc1nc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000608054821 347558439 /nfs/dbraw/zinc/55/84/39/347558439.db2.gz DRUVKBUFVYQGIT-LBPRGKRZSA-N 2 2 283.441 2.109 10 0 CEAELP COCc1nc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000608054821 347558443 /nfs/dbraw/zinc/55/84/43/347558443.db2.gz DRUVKBUFVYQGIT-LBPRGKRZSA-N 2 2 283.441 2.109 10 0 CEAELP CC[C@H]1C[NH2+][C@@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261358 179259935 /nfs/dbraw/zinc/25/99/35/179259935.db2.gz JBFDCTUIJSLFOV-XGUBFFRZSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@H]1C[NH2+][C@@](C)(CC)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261358 179259936 /nfs/dbraw/zinc/25/99/36/179259936.db2.gz JBFDCTUIJSLFOV-XGUBFFRZSA-N 2 2 254.418 2.406 10 0 CEAELP CCN1CCC[C@H]([N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289407 179264254 /nfs/dbraw/zinc/26/42/54/179264254.db2.gz KMASDZADOMHJQV-INIZCTEOSA-N 2 2 279.472 2.469 10 0 CEAELP CCN1CCC[C@H]([N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289407 179264256 /nfs/dbraw/zinc/26/42/56/179264256.db2.gz KMASDZADOMHJQV-INIZCTEOSA-N 2 2 279.472 2.469 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](C3CCOCC3)CCC[NH2+]2)cc1 ZINC000086287263 179264806 /nfs/dbraw/zinc/26/48/06/179264806.db2.gz ZKLDTHGOVHVBJF-MRXNPFEDSA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](C3CCOCC3)CCC[NH2+]2)cc1 ZINC000086287263 179264807 /nfs/dbraw/zinc/26/48/07/179264807.db2.gz ZKLDTHGOVHVBJF-MRXNPFEDSA-N 2 2 274.408 2.072 10 0 CEAELP C[C@H](CC[NH+](C)C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290452 179265844 /nfs/dbraw/zinc/26/58/44/179265844.db2.gz HWTMNXLRTQVQOB-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP C[C@H](CC[NH+](C)C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290452 179265845 /nfs/dbraw/zinc/26/58/45/179265845.db2.gz HWTMNXLRTQVQOB-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@](C)(CC)C2)CC1 ZINC000086291511 179265944 /nfs/dbraw/zinc/26/59/44/179265944.db2.gz NKXVEQJGQYOFIS-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@](C)(CC)C2)CC1 ZINC000086291511 179265946 /nfs/dbraw/zinc/26/59/46/179265946.db2.gz NKXVEQJGQYOFIS-INIZCTEOSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)CC1 ZINC000086291528 179266535 /nfs/dbraw/zinc/26/65/35/179266535.db2.gz FLTUFDBMNMYMCH-KRWDZBQOSA-N 3 2 279.472 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)CC1 ZINC000086291528 179266539 /nfs/dbraw/zinc/26/65/39/179266539.db2.gz FLTUFDBMNMYMCH-KRWDZBQOSA-N 3 2 279.472 2.182 10 0 CEAELP CC(C)[N@H+](C)CCCC[NH+]1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267451 /nfs/dbraw/zinc/26/74/51/179267451.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 3 2 255.450 2.181 10 0 CEAELP CC(C)[N@@H+](C)CCCC[NH+]1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267452 /nfs/dbraw/zinc/26/74/52/179267452.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 3 2 255.450 2.181 10 0 CEAELP CC(C)[NH+](C)CCCC[N@@H+]1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267454 /nfs/dbraw/zinc/26/74/54/179267454.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 3 2 255.450 2.181 10 0 CEAELP CC(C)[NH+](C)CCCC[N@H+]1CCC[NH2+]C(C)(C)C1 ZINC000086293329 179267455 /nfs/dbraw/zinc/26/74/55/179267455.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296327 179267551 /nfs/dbraw/zinc/26/75/51/179267551.db2.gz WIERCQZRMSOKNT-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296327 179267552 /nfs/dbraw/zinc/26/75/52/179267552.db2.gz WIERCQZRMSOKNT-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818505 179346352 /nfs/dbraw/zinc/34/63/52/179346352.db2.gz YWHKQSWXEAEHRO-UONOGXRCSA-N 2 2 291.443 2.139 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818505 179346353 /nfs/dbraw/zinc/34/63/53/179346353.db2.gz YWHKQSWXEAEHRO-UONOGXRCSA-N 2 2 291.443 2.139 10 0 CEAELP CCCC[N@H+](CC)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846573 179354973 /nfs/dbraw/zinc/35/49/73/179354973.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[N@@H+](CC)[C@@]1(CN)CCC[NH+](CC)CC1 ZINC000086846573 179354975 /nfs/dbraw/zinc/35/49/75/179354975.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[NH+](CC)[C@@]1(CN)CCC[N@H+](CC)CC1 ZINC000086846573 179354977 /nfs/dbraw/zinc/35/49/77/179354977.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 2 255.450 2.312 10 0 CEAELP CCCC[NH+](CC)[C@@]1(CN)CCC[N@@H+](CC)CC1 ZINC000086846573 179354979 /nfs/dbraw/zinc/35/49/79/179354979.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 2 255.450 2.312 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnnc3ccccc32)CC1 ZINC000616602284 348531398 /nfs/dbraw/zinc/53/13/98/348531398.db2.gz WXHUBTMGKXNEPL-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnnc3ccccc32)CC1 ZINC000616602284 348531400 /nfs/dbraw/zinc/53/14/00/348531400.db2.gz WXHUBTMGKXNEPL-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616601224 348531414 /nfs/dbraw/zinc/53/14/14/348531414.db2.gz MIFLYYLOZICNSS-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616601224 348531416 /nfs/dbraw/zinc/53/14/16/348531416.db2.gz MIFLYYLOZICNSS-CYBMUJFWSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616620448 348537244 /nfs/dbraw/zinc/53/72/44/348537244.db2.gz KLYBMFVHOFEEHA-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616620448 348537246 /nfs/dbraw/zinc/53/72/46/348537246.db2.gz KLYBMFVHOFEEHA-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616621206 348537489 /nfs/dbraw/zinc/53/74/89/348537489.db2.gz QCDFZLMRFXGHSH-MRXNPFEDSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616621206 348537490 /nfs/dbraw/zinc/53/74/90/348537490.db2.gz QCDFZLMRFXGHSH-MRXNPFEDSA-N 2 2 255.365 2.373 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(C)o1 ZINC000090566134 180006014 /nfs/dbraw/zinc/00/60/14/180006014.db2.gz XVXQRAHXYICIPR-DZGCQCFKSA-N 2 2 266.385 2.034 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccc(C)o1 ZINC000090566134 180006016 /nfs/dbraw/zinc/00/60/16/180006016.db2.gz XVXQRAHXYICIPR-DZGCQCFKSA-N 2 2 266.385 2.034 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccs1)OC ZINC000090625192 180015896 /nfs/dbraw/zinc/01/58/96/180015896.db2.gz ZAVBOQHFDVATOR-QWRGUYRKSA-N 2 2 272.414 2.077 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccs1)OC ZINC000090625192 180015897 /nfs/dbraw/zinc/01/58/97/180015897.db2.gz ZAVBOQHFDVATOR-QWRGUYRKSA-N 2 2 272.414 2.077 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875360 180051024 /nfs/dbraw/zinc/05/10/24/180051024.db2.gz SQYNORSSTOOKAO-HZPDHXFCSA-N 2 2 272.392 2.207 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090875360 180051025 /nfs/dbraw/zinc/05/10/25/180051025.db2.gz SQYNORSSTOOKAO-HZPDHXFCSA-N 2 2 272.392 2.207 10 0 CEAELP CCC[N@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876253 180051363 /nfs/dbraw/zinc/05/13/63/180051363.db2.gz AJKHLYQMDBAFCD-HUUCEWRRSA-N 2 2 260.381 2.064 10 0 CEAELP CCC[N@@H+](C[C@H]1Cc2ccccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090876253 180051365 /nfs/dbraw/zinc/05/13/65/180051365.db2.gz AJKHLYQMDBAFCD-HUUCEWRRSA-N 2 2 260.381 2.064 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892386 180053560 /nfs/dbraw/zinc/05/35/60/180053560.db2.gz SCLHPBYAPPIUIR-DOMZBBRYSA-N 2 2 278.371 2.203 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)O2 ZINC000090897655 180057016 /nfs/dbraw/zinc/05/70/16/180057016.db2.gz IAIOLDDDXOLUDB-ZFWWWQNUSA-N 2 2 271.364 2.173 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)O2 ZINC000090897654 180057131 /nfs/dbraw/zinc/05/71/31/180057131.db2.gz IAIOLDDDXOLUDB-DZGCQCFKSA-N 2 2 271.364 2.173 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901597 180058832 /nfs/dbraw/zinc/05/88/32/180058832.db2.gz CHBDCKXZAYMWSO-GJZGRUSLSA-N 2 2 285.391 2.475 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907462 180060704 /nfs/dbraw/zinc/06/07/04/180060704.db2.gz ZHNUVRXLINLLNF-GASCZTMLSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907462 180060706 /nfs/dbraw/zinc/06/07/06/180060706.db2.gz ZHNUVRXLINLLNF-GASCZTMLSA-N 2 2 266.429 2.408 10 0 CEAELP CC1CCC([C@@H](C[NH3+])[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905844 180061348 /nfs/dbraw/zinc/06/13/48/180061348.db2.gz YRUYHZSLKYJHIQ-IPOFZDNWSA-N 2 2 252.402 2.003 10 0 CEAELP CC1CCC([C@@H](C[NH3+])[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905844 180061350 /nfs/dbraw/zinc/06/13/50/180061350.db2.gz YRUYHZSLKYJHIQ-IPOFZDNWSA-N 2 2 252.402 2.003 10 0 CEAELP [NH3+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907474 180062210 /nfs/dbraw/zinc/06/22/10/180062210.db2.gz QYTHJICAFRAKFX-QLFBSQMISA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907474 180062211 /nfs/dbraw/zinc/06/22/11/180062211.db2.gz QYTHJICAFRAKFX-QLFBSQMISA-N 2 2 264.344 2.079 10 0 CEAELP COCC1CC[NH+](Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958696 180075197 /nfs/dbraw/zinc/07/51/97/180075197.db2.gz AHPHZMWGJBBPIH-JTQLQIEISA-N 2 2 269.414 2.021 10 0 CEAELP Nc1ccccc1C[NH2+][C@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000090961942 180075958 /nfs/dbraw/zinc/07/59/58/180075958.db2.gz DCGGDHLBLQQWJY-LSDHHAIUSA-N 2 2 256.353 2.349 10 0 CEAELP CC(C)[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992780 180082096 /nfs/dbraw/zinc/08/20/96/180082096.db2.gz OHCBGIJPZZAGQY-HOTGVXAUSA-N 2 2 274.408 2.025 10 0 CEAELP CC(C)[N@H+]1CCO[C@@H](C[NH2+]C[C@@H]2Cc3ccccc32)C1 ZINC000090992780 180082101 /nfs/dbraw/zinc/08/21/01/180082101.db2.gz OHCBGIJPZZAGQY-HOTGVXAUSA-N 2 2 274.408 2.025 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000091272968 180118157 /nfs/dbraw/zinc/11/81/57/180118157.db2.gz XEOITEHGVRCHND-GJZGRUSLSA-N 2 2 262.401 2.180 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(Br)cc1C[NH3+] ZINC000091278237 180120796 /nfs/dbraw/zinc/12/07/96/180120796.db2.gz GKDMRFCPEUXBIK-UHFFFAOYSA-N 2 2 296.168 2.220 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+](C)CC1CC(O)C1 ZINC000091451287 180158837 /nfs/dbraw/zinc/15/88/37/180158837.db2.gz RWKQDSBYUHVWLL-SPNRQUNLSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091451287 180158838 /nfs/dbraw/zinc/15/88/38/180158838.db2.gz RWKQDSBYUHVWLL-SPNRQUNLSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)CC1CC(O)C1 ZINC000091451823 180159238 /nfs/dbraw/zinc/15/92/38/180159238.db2.gz AEUKYDNXSOOFCG-FFKWVLBGSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)CC1CC(O)C1 ZINC000091451823 180159240 /nfs/dbraw/zinc/15/92/40/180159240.db2.gz AEUKYDNXSOOFCG-FFKWVLBGSA-N 2 2 268.426 2.229 10 0 CEAELP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000091403174 180147290 /nfs/dbraw/zinc/14/72/90/180147290.db2.gz QFRJSTHRCSTDQN-CQSZACIVSA-N 3 2 267.461 2.310 10 0 CEAELP CC[NH+]1CCC([N@H+](C)CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091403874 180147568 /nfs/dbraw/zinc/14/75/68/180147568.db2.gz YTXKMMRMQSCYGL-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091403874 180147569 /nfs/dbraw/zinc/14/75/69/180147569.db2.gz YTXKMMRMQSCYGL-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH2+][C@@H](Cc1ncnn1CC)C(C)(C)[NH+]1CCCCC1 ZINC000091565294 180193773 /nfs/dbraw/zinc/19/37/73/180193773.db2.gz GPOCQVNIEYTIKK-AWEZNQCLSA-N 2 2 293.459 2.083 10 0 CEAELP CC[C@@](C)(C(=O)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091601743 180203308 /nfs/dbraw/zinc/20/33/08/180203308.db2.gz WSCDHPDQPGSKNV-HNNXBMFYSA-N 2 2 261.369 2.040 10 0 CEAELP CCCn1ncnc1C[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCCC1 ZINC000091609451 180205707 /nfs/dbraw/zinc/20/57/07/180205707.db2.gz RXVOPZPJOPFTKT-HOCLYGCPSA-N 2 2 293.459 2.213 10 0 CEAELP C[NH2+][C@@H](Cc1cccc(F)c1F)C(C)(C)[NH+](C)C ZINC000091528572 180180622 /nfs/dbraw/zinc/18/06/22/180180622.db2.gz ABBIDLHABARMDE-LBPRGKRZSA-N 2 2 256.340 2.436 10 0 CEAELP CC(C)CC[C@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642830 180214320 /nfs/dbraw/zinc/21/43/20/180214320.db2.gz JOZCYUULHWAMBT-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH+](C)C1([C@H]([NH3+])CC2CCOCC2)CCCCC1 ZINC000091647054 180215770 /nfs/dbraw/zinc/21/57/70/180215770.db2.gz UBFCIDZYFMEDOF-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C(=O)Cc2ccc[nH+]c2N)([NH+](C)C)C1 ZINC000091650487 180216526 /nfs/dbraw/zinc/21/65/26/180216526.db2.gz ZKEAFSRRUKHHLJ-LRDDRELGSA-N 2 2 275.396 2.286 10 0 CEAELP CN[C@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCCCC1 ZINC000091654427 180217446 /nfs/dbraw/zinc/21/74/46/180217446.db2.gz XSAOEHGFTGSASR-MRXNPFEDSA-N 2 2 290.455 2.449 10 0 CEAELP CC(C)c1ccc(C[C@@H]([NH3+])[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000091717306 180232363 /nfs/dbraw/zinc/23/23/63/180232363.db2.gz ZWVGJPNXGFSPPR-CVEARBPZSA-N 2 2 262.397 2.010 10 0 CEAELP CC(C)c1ccc(C[C@@H]([NH3+])[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000091717306 180232365 /nfs/dbraw/zinc/23/23/65/180232365.db2.gz ZWVGJPNXGFSPPR-CVEARBPZSA-N 2 2 262.397 2.010 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721509 180238195 /nfs/dbraw/zinc/23/81/95/180238195.db2.gz BCSJASNYULCCIC-XOKHGSTOSA-N 2 2 290.407 2.127 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721509 180238198 /nfs/dbraw/zinc/23/81/98/180238198.db2.gz BCSJASNYULCCIC-XOKHGSTOSA-N 2 2 290.407 2.127 10 0 CEAELP C[NH2+][C@H](c1csc(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721417 180239064 /nfs/dbraw/zinc/23/90/64/180239064.db2.gz VVMMUWKKKZQPGK-HZSPNIEDSA-N 2 2 266.410 2.180 10 0 CEAELP C[NH2+][C@H](c1csc(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721417 180239067 /nfs/dbraw/zinc/23/90/67/180239067.db2.gz VVMMUWKKKZQPGK-HZSPNIEDSA-N 2 2 266.410 2.180 10 0 CEAELP CC[NH2+][C@@H]1CCCc2nc([C@H]3C[N@H+](C)CCO3)sc21 ZINC000091722468 180240180 /nfs/dbraw/zinc/24/01/80/180240180.db2.gz SXOIIJBXNRBQRX-ZYHUDNBSSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@@H]1CCCc2nc([C@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722468 180240182 /nfs/dbraw/zinc/24/01/82/180240182.db2.gz SXOIIJBXNRBQRX-ZYHUDNBSSA-N 2 2 281.425 2.133 10 0 CEAELP CN(c1[nH+]c2ccccc2n1C)C1CCC([NH3+])CC1 ZINC000091849533 180271203 /nfs/dbraw/zinc/27/12/03/180271203.db2.gz RHNKVPRQYKGJNC-UHFFFAOYSA-N 2 2 258.369 2.279 10 0 CEAELP CC(C)C1CCC(C[NH3+])([C@H](O)c2c[nH+]cn2C)CC1 ZINC000091926039 180287551 /nfs/dbraw/zinc/28/75/51/180287551.db2.gz MNILFBYLPAYSSU-HNFVBEJKSA-N 2 2 265.401 2.245 10 0 CEAELP C[N@@H+]1CCO[C@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092055896 180314182 /nfs/dbraw/zinc/31/41/82/180314182.db2.gz FSWKRALQXCLXNJ-MRXNPFEDSA-N 2 2 275.396 2.029 10 0 CEAELP C[N@H+]1CCO[C@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092055896 180314184 /nfs/dbraw/zinc/31/41/84/180314184.db2.gz FSWKRALQXCLXNJ-MRXNPFEDSA-N 2 2 275.396 2.029 10 0 CEAELP CCC[C@@H]1C[C@](C[NH3+])([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082986 180319752 /nfs/dbraw/zinc/31/97/52/180319752.db2.gz AWVZMONCWYACRL-LXTVHRRPSA-N 2 2 254.418 2.251 10 0 CEAELP CCC[C@@H]1C[C@](C[NH3+])([N@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082986 180319753 /nfs/dbraw/zinc/31/97/53/180319753.db2.gz AWVZMONCWYACRL-LXTVHRRPSA-N 2 2 254.418 2.251 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300137 180358318 /nfs/dbraw/zinc/35/83/18/180358318.db2.gz BMWACHBOSAGTOI-DZGCQCFKSA-N 2 2 262.397 2.338 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH2+]Cc2ccccc2)cc1OC ZINC000106024087 186098774 /nfs/dbraw/zinc/09/87/74/186098774.db2.gz NFDJTLOOUQNBGC-HNNXBMFYSA-N 2 2 286.375 2.493 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000092342657 180366269 /nfs/dbraw/zinc/36/62/69/180366269.db2.gz YZANTWQHMTURGN-UHFFFAOYSA-N 2 2 263.385 2.400 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000092342657 180366271 /nfs/dbraw/zinc/36/62/71/180366271.db2.gz YZANTWQHMTURGN-UHFFFAOYSA-N 2 2 263.385 2.400 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cccc(NC)n2)CC1 ZINC000092369350 180369795 /nfs/dbraw/zinc/36/97/95/180369795.db2.gz RWDBYLPJSDDAGS-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cccc(NC)n2)CC1 ZINC000092369350 180369796 /nfs/dbraw/zinc/36/97/96/180369796.db2.gz RWDBYLPJSDDAGS-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN2CC[NH+](CC(C)C)CC2)[nH+]1 ZINC000092370268 180370402 /nfs/dbraw/zinc/37/04/02/180370402.db2.gz WETUWTXOJDIWNS-UHFFFAOYSA-N 2 2 276.428 2.287 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000092418124 180380889 /nfs/dbraw/zinc/38/08/89/180380889.db2.gz YVBUSMSIECYIML-CYBMUJFWSA-N 2 2 251.399 2.451 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000092418124 180380890 /nfs/dbraw/zinc/38/08/90/180380890.db2.gz YVBUSMSIECYIML-CYBMUJFWSA-N 2 2 251.399 2.451 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH3+])[C@H]([N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000092385812 180373558 /nfs/dbraw/zinc/37/35/58/180373558.db2.gz WVYDYSPIVOYLMV-VUCTXSBTSA-N 2 2 290.407 2.121 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH3+])[C@H]([N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000092385812 180373560 /nfs/dbraw/zinc/37/35/60/180373560.db2.gz WVYDYSPIVOYLMV-VUCTXSBTSA-N 2 2 290.407 2.121 10 0 CEAELP C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000130497589 365961843 /nfs/dbraw/zinc/96/18/43/365961843.db2.gz CKZGSJLSPDOCLG-STQMWFEESA-N 2 2 259.353 2.198 10 0 CEAELP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CC3)C2)n1 ZINC000092430071 180384481 /nfs/dbraw/zinc/38/44/81/180384481.db2.gz PTEMZTLFYZGKFS-AWEZNQCLSA-N 2 2 259.397 2.354 10 0 CEAELP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH2+]C3CC3)C2)n1 ZINC000092430071 180384483 /nfs/dbraw/zinc/38/44/83/180384483.db2.gz PTEMZTLFYZGKFS-AWEZNQCLSA-N 2 2 259.397 2.354 10 0 CEAELP C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926653 186333538 /nfs/dbraw/zinc/33/35/38/186333538.db2.gz WJBRNBCWYQDDHO-TZMCWYRMSA-N 2 2 276.380 2.203 10 0 CEAELP C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926653 186333539 /nfs/dbraw/zinc/33/35/39/186333539.db2.gz WJBRNBCWYQDDHO-TZMCWYRMSA-N 2 2 276.380 2.203 10 0 CEAELP CCC[N@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110938755 186334546 /nfs/dbraw/zinc/33/45/46/186334546.db2.gz VOXNDQDTVKLSSR-CQSZACIVSA-N 2 2 264.417 2.001 10 0 CEAELP CCC[N@@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110938755 186334548 /nfs/dbraw/zinc/33/45/48/186334548.db2.gz VOXNDQDTVKLSSR-CQSZACIVSA-N 2 2 264.417 2.001 10 0 CEAELP COc1cc(N(CC[NH+](C)C)CC(C)C)ccc1[NH3+] ZINC000111053914 186348615 /nfs/dbraw/zinc/34/86/15/186348615.db2.gz WLSFIBVIHQXMRQ-UHFFFAOYSA-N 2 2 265.401 2.301 10 0 CEAELP C[NH+](C)CCC[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000111150296 186361152 /nfs/dbraw/zinc/36/11/52/186361152.db2.gz PKOCSWQMBPOTSR-UHFFFAOYSA-N 3 2 275.396 2.275 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000111150296 186361154 /nfs/dbraw/zinc/36/11/54/186361154.db2.gz PKOCSWQMBPOTSR-UHFFFAOYSA-N 3 2 275.396 2.275 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148251 186359296 /nfs/dbraw/zinc/35/92/96/186359296.db2.gz BJXRXSSJDYVNLV-HOTGVXAUSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148251 186359298 /nfs/dbraw/zinc/35/92/98/186359298.db2.gz BJXRXSSJDYVNLV-HOTGVXAUSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147738 186359476 /nfs/dbraw/zinc/35/94/76/186359476.db2.gz BUHBGRQQPLTAOM-HUUCEWRRSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147738 186359478 /nfs/dbraw/zinc/35/94/78/186359478.db2.gz BUHBGRQQPLTAOM-HUUCEWRRSA-N 3 2 255.450 2.038 10 0 CEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@H+](C)CC1CCOCC1 ZINC000111175474 186364850 /nfs/dbraw/zinc/36/48/50/186364850.db2.gz JMWUMXPFDDVDAU-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)[NH2+]C[C@@H](C(C)C)[N@@H+](C)CC1CCOCC1 ZINC000111175474 186364851 /nfs/dbraw/zinc/36/48/51/186364851.db2.gz JMWUMXPFDDVDAU-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP CCc1cc(N[C@H](C[NH3+])Cc2ccccc2)nc[nH+]1 ZINC000111376569 186409384 /nfs/dbraw/zinc/40/93/84/186409384.db2.gz DLEUYPRVSFRIKB-AWEZNQCLSA-N 2 2 256.353 2.021 10 0 CEAELP Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070455808 363084979 /nfs/dbraw/zinc/08/49/79/363084979.db2.gz HDTUUFOGXQBNBC-CYBMUJFWSA-N 2 2 272.327 2.129 10 0 CEAELP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccccc2-n2cc[nH+]c2)C1 ZINC000070574544 363097354 /nfs/dbraw/zinc/09/73/54/363097354.db2.gz FPFNCVGQJAVRBD-QWHCGFSZSA-N 2 2 284.363 2.328 10 0 CEAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000261887453 540156316 /nfs/dbraw/zinc/15/63/16/540156316.db2.gz ZXRVSFSTRGQQNU-IUODEOHRSA-N 2 2 284.363 2.186 10 0 CEAELP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000182100624 189313924 /nfs/dbraw/zinc/31/39/24/189313924.db2.gz PGQFHVYIGAOTAD-HZMBPMFUSA-N 2 2 293.411 2.039 10 0 CEAELP C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000083799402 363787237 /nfs/dbraw/zinc/78/72/37/363787237.db2.gz SMRJXXRZFPUNJB-UONOGXRCSA-N 2 2 299.459 2.173 10 0 CEAELP CC(C)c1nc2c(n1C)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000183176314 189349491 /nfs/dbraw/zinc/34/94/91/189349491.db2.gz DTWYJMDFXAPNDP-UHFFFAOYSA-N 2 2 287.411 2.188 10 0 CEAELP CC(C)c1nc2c(n1C)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000183176314 189349492 /nfs/dbraw/zinc/34/94/92/189349492.db2.gz DTWYJMDFXAPNDP-UHFFFAOYSA-N 2 2 287.411 2.188 10 0 CEAELP CCc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)nc(C)[nH+]1 ZINC000302111114 201346292 /nfs/dbraw/zinc/34/62/92/201346292.db2.gz UGSPDSRYBBXRKH-LSDHHAIUSA-N 2 2 290.411 2.013 10 0 CEAELP CCc1cc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)nc(C)[nH+]1 ZINC000302111114 201346293 /nfs/dbraw/zinc/34/62/93/201346293.db2.gz UGSPDSRYBBXRKH-LSDHHAIUSA-N 2 2 290.411 2.013 10 0 CEAELP c1ncc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812495 364110733 /nfs/dbraw/zinc/11/07/33/364110733.db2.gz VJKLHFCCXWRNCL-GFCCVEGCSA-N 2 2 274.393 2.472 10 0 CEAELP c1ncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812495 364110734 /nfs/dbraw/zinc/11/07/34/364110734.db2.gz VJKLHFCCXWRNCL-GFCCVEGCSA-N 2 2 274.393 2.472 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424057 364273338 /nfs/dbraw/zinc/27/33/38/364273338.db2.gz YRANKUUYSJNKPK-QWHCGFSZSA-N 2 2 254.418 2.406 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC(C)(C)OC2(C)C)C1 ZINC000094424057 364273344 /nfs/dbraw/zinc/27/33/44/364273344.db2.gz YRANKUUYSJNKPK-QWHCGFSZSA-N 2 2 254.418 2.406 10 0 CEAELP c1[nH]c2c([nH+]1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC000095377085 364351212 /nfs/dbraw/zinc/35/12/12/364351212.db2.gz WROUBQDABGWMIJ-UHFFFAOYSA-N 2 2 266.348 2.492 10 0 CEAELP c1[nH]c2c([nH+]1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC000095377085 364351217 /nfs/dbraw/zinc/35/12/17/364351217.db2.gz WROUBQDABGWMIJ-UHFFFAOYSA-N 2 2 266.348 2.492 10 0 CEAELP COCCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000117876702 365130140 /nfs/dbraw/zinc/13/01/40/365130140.db2.gz HGFZMDIARAPNSV-CQSZACIVSA-N 2 2 263.385 2.242 10 0 CEAELP COCCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000117876702 365130143 /nfs/dbraw/zinc/13/01/43/365130143.db2.gz HGFZMDIARAPNSV-CQSZACIVSA-N 2 2 263.385 2.242 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(C3CC3)n2)C[C@H]1C[NH3+] ZINC000631839071 367579346 /nfs/dbraw/zinc/57/93/46/367579346.db2.gz ZKNOWSDHEOOMQX-GXSJLCMTSA-N 2 2 251.399 2.047 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(C3CC3)n2)C[C@H]1C[NH3+] ZINC000631839071 367579348 /nfs/dbraw/zinc/57/93/48/367579348.db2.gz ZKNOWSDHEOOMQX-GXSJLCMTSA-N 2 2 251.399 2.047 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840946 367580744 /nfs/dbraw/zinc/58/07/44/367580744.db2.gz WTKMFELXRDHGCH-QWRGUYRKSA-N 2 2 253.415 2.122 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840946 367580749 /nfs/dbraw/zinc/58/07/49/367580749.db2.gz WTKMFELXRDHGCH-QWRGUYRKSA-N 2 2 253.415 2.122 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840945 367581867 /nfs/dbraw/zinc/58/18/67/367581867.db2.gz WTKMFELXRDHGCH-MNOVXSKESA-N 2 2 253.415 2.122 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631840945 367581872 /nfs/dbraw/zinc/58/18/72/367581872.db2.gz WTKMFELXRDHGCH-MNOVXSKESA-N 2 2 253.415 2.122 10 0 CEAELP CC(C)(C)OC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640424 367584064 /nfs/dbraw/zinc/58/40/64/367584064.db2.gz SJGPBUKNQFBMAG-CYBMUJFWSA-N 2 2 291.395 2.157 10 0 CEAELP CC(C)(C)OC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171640424 367584072 /nfs/dbraw/zinc/58/40/72/367584072.db2.gz SJGPBUKNQFBMAG-CYBMUJFWSA-N 2 2 291.395 2.157 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C12CCOCC2 ZINC000186308364 368954640 /nfs/dbraw/zinc/95/46/40/368954640.db2.gz CMAWTSNBLZUARI-CVEARBPZSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C12CCOCC2 ZINC000186308364 368954646 /nfs/dbraw/zinc/95/46/46/368954646.db2.gz CMAWTSNBLZUARI-CVEARBPZSA-N 2 2 296.455 2.035 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)[nH+]c1 ZINC000189367327 369505546 /nfs/dbraw/zinc/50/55/46/369505546.db2.gz MOZRBIJPLIFISN-GJZGRUSLSA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCO3)C2)[nH+]c1 ZINC000189367327 369505551 /nfs/dbraw/zinc/50/55/51/369505551.db2.gz MOZRBIJPLIFISN-GJZGRUSLSA-N 2 2 275.396 2.385 10 0 CEAELP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000400400971 296150904 /nfs/dbraw/zinc/15/09/04/296150904.db2.gz KRGHFPXBWRNJSW-OUCADQQQSA-N 2 2 276.380 2.249 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000195515652 370135005 /nfs/dbraw/zinc/13/50/05/370135005.db2.gz YYNDIUDZAYRYDS-GJZGRUSLSA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000195515652 370135008 /nfs/dbraw/zinc/13/50/08/370135008.db2.gz YYNDIUDZAYRYDS-GJZGRUSLSA-N 2 2 275.396 2.385 10 0 CEAELP C[N@@H+](Cc1ccc(Br)o1)C[C@@H]1CCC[NH2+]C1 ZINC000220362493 370232561 /nfs/dbraw/zinc/23/25/61/370232561.db2.gz HUTLRSTYWWCQBJ-SNVBAGLBSA-N 2 2 287.201 2.474 10 0 CEAELP C[N@H+](Cc1ccc(Br)o1)C[C@@H]1CCC[NH2+]C1 ZINC000220362493 370232564 /nfs/dbraw/zinc/23/25/64/370232564.db2.gz HUTLRSTYWWCQBJ-SNVBAGLBSA-N 2 2 287.201 2.474 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231668380 370485687 /nfs/dbraw/zinc/48/56/87/370485687.db2.gz KNEOIWMGKHQTIX-CQSZACIVSA-N 2 2 293.386 2.147 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231668380 370485692 /nfs/dbraw/zinc/48/56/92/370485692.db2.gz KNEOIWMGKHQTIX-CQSZACIVSA-N 2 2 293.386 2.147 10 0 CEAELP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247015712 371046863 /nfs/dbraw/zinc/04/68/63/371046863.db2.gz CKRRZSMBIRKNET-OLZOCXBDSA-N 2 2 279.384 2.034 10 0 CEAELP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000247015712 371046870 /nfs/dbraw/zinc/04/68/70/371046870.db2.gz CKRRZSMBIRKNET-OLZOCXBDSA-N 2 2 279.384 2.034 10 0 CEAELP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247060022 371058237 /nfs/dbraw/zinc/05/82/37/371058237.db2.gz WCALIYAFFLMKNT-UONOGXRCSA-N 2 2 293.411 2.424 10 0 CEAELP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247060022 371058243 /nfs/dbraw/zinc/05/82/43/371058243.db2.gz WCALIYAFFLMKNT-UONOGXRCSA-N 2 2 293.411 2.424 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@H]12 ZINC000261592792 371666325 /nfs/dbraw/zinc/66/63/25/371666325.db2.gz YRABNKUPIYAQEG-PKFCDNJMSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@H]12 ZINC000261592792 371666332 /nfs/dbraw/zinc/66/63/32/371666332.db2.gz YRABNKUPIYAQEG-PKFCDNJMSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(Br)c3)C[C@H]12 ZINC000261565454 371650880 /nfs/dbraw/zinc/65/08/80/371650880.db2.gz YKMRMOGBYMHCLP-WCFLWFBJSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(Br)c3)C[C@H]12 ZINC000261565454 371650886 /nfs/dbraw/zinc/65/08/86/371650886.db2.gz YKMRMOGBYMHCLP-WCFLWFBJSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@H]12 ZINC000261827415 371743292 /nfs/dbraw/zinc/74/32/92/371743292.db2.gz IVKFFJNJANCVEX-VNQPRFMTSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]12 ZINC000261827415 371743296 /nfs/dbraw/zinc/74/32/96/371743296.db2.gz IVKFFJNJANCVEX-VNQPRFMTSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@H]12 ZINC000261827412 371743958 /nfs/dbraw/zinc/74/39/58/371743958.db2.gz IVKFFJNJANCVEX-CWRNSKLLSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@H]12 ZINC000261827412 371743968 /nfs/dbraw/zinc/74/39/68/371743968.db2.gz IVKFFJNJANCVEX-CWRNSKLLSA-N 2 2 282.391 2.041 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1[NH3+] ZINC000261961694 371786166 /nfs/dbraw/zinc/78/61/66/371786166.db2.gz HIYBIDDXLBJWPD-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1[NH3+] ZINC000261961694 371786168 /nfs/dbraw/zinc/78/61/68/371786168.db2.gz HIYBIDDXLBJWPD-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000262060595 371815428 /nfs/dbraw/zinc/81/54/28/371815428.db2.gz RDIOSZHIZJYGKR-WFASDCNBSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc2cccnc12 ZINC000262060595 371815433 /nfs/dbraw/zinc/81/54/33/371815433.db2.gz RDIOSZHIZJYGKR-WFASDCNBSA-N 2 2 255.365 2.322 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262082679 371819478 /nfs/dbraw/zinc/81/94/78/371819478.db2.gz FJGUDYFBQOKVIL-DOTOQJQBSA-N 2 2 290.407 2.168 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262082679 371819480 /nfs/dbraw/zinc/81/94/80/371819480.db2.gz FJGUDYFBQOKVIL-DOTOQJQBSA-N 2 2 290.407 2.168 10 0 CEAELP C[N@@H+](Cc1ccc(Br)o1)C[C@@H]1CC[NH+](C)C1 ZINC000276768425 374294576 /nfs/dbraw/zinc/29/45/76/374294576.db2.gz NXSHZMHZKBRPJF-SNVBAGLBSA-N 2 2 287.201 2.426 10 0 CEAELP C[N@H+](Cc1ccc(Br)o1)C[C@@H]1CC[NH+](C)C1 ZINC000276768425 374294581 /nfs/dbraw/zinc/29/45/81/374294581.db2.gz NXSHZMHZKBRPJF-SNVBAGLBSA-N 2 2 287.201 2.426 10 0 CEAELP C[NH+](Cc1ccc(Br)o1)C[C@@H]1CC[N@H+](C)C1 ZINC000276768425 374294590 /nfs/dbraw/zinc/29/45/90/374294590.db2.gz NXSHZMHZKBRPJF-SNVBAGLBSA-N 2 2 287.201 2.426 10 0 CEAELP C[NH+](Cc1ccc(Br)o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000276768425 374294598 /nfs/dbraw/zinc/29/45/98/374294598.db2.gz NXSHZMHZKBRPJF-SNVBAGLBSA-N 2 2 287.201 2.426 10 0 CEAELP [NH3+]CC[C@@H](Nc1cc(C(F)(F)F)cc[nH+]1)C(F)F ZINC000383374413 375202257 /nfs/dbraw/zinc/20/22/57/375202257.db2.gz KKHGPNRBUSNEOK-SSDOTTSWSA-N 2 2 269.217 2.495 10 0 CEAELP Cc1scc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000399951211 375371317 /nfs/dbraw/zinc/37/13/17/375371317.db2.gz ZTXWTRQXNRYCBH-OAHLLOKOSA-N 2 2 282.453 2.301 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2CN(c3[nH+]ccc4ccccc43)C[C@@H]12 ZINC000311992062 376698387 /nfs/dbraw/zinc/69/83/87/376698387.db2.gz SJFBYECETZLAKX-NWANDNLSSA-N 2 2 253.349 2.408 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448725 376851387 /nfs/dbraw/zinc/85/13/87/376851387.db2.gz COVSKAMFCOESCS-QWHCGFSZSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448725 376851395 /nfs/dbraw/zinc/85/13/95/376851395.db2.gz COVSKAMFCOESCS-QWHCGFSZSA-N 2 2 278.396 2.449 10 0 CEAELP C[NH+](C)C[C@@H](N[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000293880549 377803285 /nfs/dbraw/zinc/80/32/85/377803285.db2.gz FRQIOWRGSLYILW-LSDHHAIUSA-N 2 2 270.380 2.220 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744671 285314148 /nfs/dbraw/zinc/31/41/48/285314148.db2.gz UCNMLDLPQJEYAF-KBRIMQKVSA-N 2 2 289.423 2.312 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744671 285314149 /nfs/dbraw/zinc/31/41/49/285314149.db2.gz UCNMLDLPQJEYAF-KBRIMQKVSA-N 2 2 289.423 2.312 10 0 CEAELP CCn1cc[nH+]c1C[C@H]([NH3+])Cc1ccc(OC)c(OC)c1 ZINC000094145436 184756906 /nfs/dbraw/zinc/75/69/06/184756906.db2.gz VLZYLXBWZNWBFK-CYBMUJFWSA-N 2 2 289.379 2.033 10 0 CEAELP CCC[NH2+][C@H](COCC)Cc1[nH+]ccn1CCC ZINC000094162353 184757589 /nfs/dbraw/zinc/75/75/89/184757589.db2.gz IZYQLSOVRXBJIY-ZDUSSCGKSA-N 2 2 253.390 2.240 10 0 CEAELP CCc1cc(N2CCCC[C@H]2C[NH2+]C2CC2)nc(C)[nH+]1 ZINC000088760880 135056890 /nfs/dbraw/zinc/05/68/90/135056890.db2.gz VTHKLIVZUDVHNR-HNNXBMFYSA-N 2 2 274.412 2.458 10 0 CEAELP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089147837 135057993 /nfs/dbraw/zinc/05/79/93/135057993.db2.gz MCLVHCGBROPPBA-CJNGLKHVSA-N 2 2 275.396 2.063 10 0 CEAELP Nc1ccc(N2CCN(c3cc[nH+]cc3Cl)CC2)[nH+]c1 ZINC000094272731 135085872 /nfs/dbraw/zinc/08/58/72/135085872.db2.gz ISHYXBBLBKTLKK-UHFFFAOYSA-N 2 2 289.770 2.039 10 0 CEAELP Cn1cc([C@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cn1 ZINC000180330962 165305609 /nfs/dbraw/zinc/30/56/09/165305609.db2.gz AAHDIXNFMCFVOO-ZDUSSCGKSA-N 2 2 281.363 2.057 10 0 CEAELP Cn1cc([C@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cn1 ZINC000180330962 165305613 /nfs/dbraw/zinc/30/56/13/165305613.db2.gz AAHDIXNFMCFVOO-ZDUSSCGKSA-N 2 2 281.363 2.057 10 0 CEAELP C[NH+]1CCC([NH2+]Cc2nc3ccccc3s2)CC1 ZINC000020135963 171023400 /nfs/dbraw/zinc/02/34/00/171023400.db2.gz BNGJQRYNOUJECC-UHFFFAOYSA-N 2 2 261.394 2.480 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000037209800 173032200 /nfs/dbraw/zinc/03/22/00/173032200.db2.gz RJCYOSNGYOPAGR-CQSZACIVSA-N 3 2 255.450 2.038 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000037220647 173039075 /nfs/dbraw/zinc/03/90/75/173039075.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000037220647 173039077 /nfs/dbraw/zinc/03/90/77/173039077.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP C[NH+](C)CC(C)(C)Cn1c(N)[nH+]c2c1cccc2F ZINC000037421074 173197606 /nfs/dbraw/zinc/19/76/06/173197606.db2.gz VJRPYKSYVCEFPK-UHFFFAOYSA-N 2 2 264.348 2.345 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000040599580 174350570 /nfs/dbraw/zinc/35/05/70/174350570.db2.gz ABKWOFBSXUSRRL-LBPRGKRZSA-N 2 2 259.353 2.259 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000040599580 174350571 /nfs/dbraw/zinc/35/05/71/174350571.db2.gz ABKWOFBSXUSRRL-LBPRGKRZSA-N 2 2 259.353 2.259 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000040638522 174362883 /nfs/dbraw/zinc/36/28/83/174362883.db2.gz KUOOBCDYIXYDKN-UHFFFAOYSA-N 2 2 281.306 2.354 10 0 CEAELP CCC[N@H+](CC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748546 174393817 /nfs/dbraw/zinc/39/38/17/174393817.db2.gz MUBTZKIHXNJNIB-PBWFPOADSA-N 2 2 282.428 2.323 10 0 CEAELP CCC[N@@H+](CC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748546 174393818 /nfs/dbraw/zinc/39/38/18/174393818.db2.gz MUBTZKIHXNJNIB-PBWFPOADSA-N 2 2 282.428 2.323 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042972797 174935838 /nfs/dbraw/zinc/93/58/38/174935838.db2.gz JLMWRSFAKUEITR-GUYCJALGSA-N 3 2 293.430 2.488 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccco2)[C@H](C)[NH3+])CC1 ZINC000043335490 175011213 /nfs/dbraw/zinc/01/12/13/175011213.db2.gz DOOSJNDQYWAEFC-FZMZJTMJSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCO)C1CCCC1 ZINC000043336148 175011904 /nfs/dbraw/zinc/01/19/04/175011904.db2.gz HHBJEPIOAIPKGD-HIFRSBDPSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCO)C1CCCC1 ZINC000043336148 175011905 /nfs/dbraw/zinc/01/19/05/175011905.db2.gz HHBJEPIOAIPKGD-HIFRSBDPSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043338899 175013367 /nfs/dbraw/zinc/01/33/67/175013367.db2.gz ANYDRRHYQMWZAO-YCPHGPKFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CCO ZINC000043338899 175013369 /nfs/dbraw/zinc/01/33/69/175013369.db2.gz ANYDRRHYQMWZAO-YCPHGPKFSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043354415 175021666 /nfs/dbraw/zinc/02/16/66/175021666.db2.gz QNRYHBPCKKVHHQ-IRXDYDNUSA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043354414 175021839 /nfs/dbraw/zinc/02/18/39/175021839.db2.gz QNRYHBPCKKVHHQ-IAGOWNOFSA-N 3 2 290.455 2.134 10 0 CEAELP [NH3+]C[C@@H](c1ccncc1)n1cc[nH+]c1-c1ccccc1 ZINC000043354989 175022989 /nfs/dbraw/zinc/02/29/89/175022989.db2.gz MSAMIJSFMLLUTE-HNNXBMFYSA-N 2 2 264.332 2.493 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000043364990 175026297 /nfs/dbraw/zinc/02/62/97/175026297.db2.gz XNOZTNDECAAUNH-CZUORRHYSA-N 3 2 279.428 2.250 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818702 175113982 /nfs/dbraw/zinc/11/39/82/175113982.db2.gz FKBOHABKRFVSIG-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818702 175113983 /nfs/dbraw/zinc/11/39/83/175113983.db2.gz FKBOHABKRFVSIG-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)CCc1ccncc1 ZINC000043902244 175122666 /nfs/dbraw/zinc/12/26/66/175122666.db2.gz XPCRQQGDSMQNHV-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902244 175122667 /nfs/dbraw/zinc/12/26/67/175122667.db2.gz XPCRQQGDSMQNHV-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969210 175130768 /nfs/dbraw/zinc/13/07/68/175130768.db2.gz JKZLXCIQUOBBJL-RCBQFDQVSA-N 2 2 262.397 2.229 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969210 175130769 /nfs/dbraw/zinc/13/07/69/175130769.db2.gz JKZLXCIQUOBBJL-RCBQFDQVSA-N 2 2 262.397 2.229 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969737 175131275 /nfs/dbraw/zinc/13/12/75/175131275.db2.gz XLSKOIKUTDUIIJ-GUYCJALGSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969737 175131276 /nfs/dbraw/zinc/13/12/76/175131276.db2.gz XLSKOIKUTDUIIJ-GUYCJALGSA-N 2 2 292.423 2.455 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043325 175294912 /nfs/dbraw/zinc/29/49/12/175294912.db2.gz BNGWUFNAIVHBBN-RRFJBIMHSA-N 2 2 254.418 2.252 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043325 175294914 /nfs/dbraw/zinc/29/49/14/175294914.db2.gz BNGWUFNAIVHBBN-RRFJBIMHSA-N 2 2 254.418 2.252 10 0 CEAELP CO[C@H]1C[NH2+][C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089772 175304806 /nfs/dbraw/zinc/30/48/06/175304806.db2.gz RLPABYQAXXWJLH-RRFJBIMHSA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@H]1C[NH2+][C@H](C[N@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089772 175304808 /nfs/dbraw/zinc/30/48/08/175304808.db2.gz RLPABYQAXXWJLH-RRFJBIMHSA-N 2 2 252.402 2.018 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1CCCCCC1)[NH2+]C1CC1 ZINC000045377563 175367481 /nfs/dbraw/zinc/36/74/81/175367481.db2.gz LWTYDTDADVTCKV-INIZCTEOSA-N 2 2 282.428 2.326 10 0 CEAELP C[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(=O)OC ZINC000045379696 175369504 /nfs/dbraw/zinc/36/95/04/175369504.db2.gz RRQFHIUUKDKFQG-YDHLFZDLSA-N 2 2 270.417 2.181 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+](CC)C1CC1)[NH2+]C1CC1 ZINC000045386617 175372601 /nfs/dbraw/zinc/37/26/01/175372601.db2.gz BGXMSTCENYEQCP-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+](CC)C1CC1)[NH2+]C1CC1 ZINC000045386617 175372602 /nfs/dbraw/zinc/37/26/02/175372602.db2.gz BGXMSTCENYEQCP-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CCCc1cc(N2CCC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000045951076 175388325 /nfs/dbraw/zinc/38/83/25/175388325.db2.gz QLZXSCUHEMJSCB-UHFFFAOYSA-N 2 2 262.401 2.352 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090884 176031169 /nfs/dbraw/zinc/03/11/69/176031169.db2.gz FXXVMILERCASHJ-BBRMVZONSA-N 2 2 271.364 2.175 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000071137969 176036235 /nfs/dbraw/zinc/03/62/35/176036235.db2.gz KWGYXOOQBIWDNW-OAHLLOKOSA-N 2 2 260.381 2.412 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C2CC2)cc1 ZINC000071137969 176036237 /nfs/dbraw/zinc/03/62/37/176036237.db2.gz KWGYXOOQBIWDNW-OAHLLOKOSA-N 2 2 260.381 2.412 10 0 CEAELP C[N@@H+](Cc1cc2ccccc2nc1N)C[C@H]1CC[NH+](C)C1 ZINC000071191096 176068038 /nfs/dbraw/zinc/06/80/38/176068038.db2.gz NMZNYZVQFPEWPM-ZDUSSCGKSA-N 2 2 284.407 2.201 10 0 CEAELP C[N@H+](Cc1cc2ccccc2nc1N)C[C@H]1CC[NH+](C)C1 ZINC000071191096 176068039 /nfs/dbraw/zinc/06/80/39/176068039.db2.gz NMZNYZVQFPEWPM-ZDUSSCGKSA-N 2 2 284.407 2.201 10 0 CEAELP C[NH+](Cc1cc2ccccc2nc1N)C[C@H]1CC[N@H+](C)C1 ZINC000071191096 176068041 /nfs/dbraw/zinc/06/80/41/176068041.db2.gz NMZNYZVQFPEWPM-ZDUSSCGKSA-N 2 2 284.407 2.201 10 0 CEAELP C[NH+](Cc1cc2ccccc2nc1N)C[C@H]1CC[N@@H+](C)C1 ZINC000071191096 176068042 /nfs/dbraw/zinc/06/80/42/176068042.db2.gz NMZNYZVQFPEWPM-ZDUSSCGKSA-N 2 2 284.407 2.201 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191445 176070305 /nfs/dbraw/zinc/07/03/05/176070305.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191445 176070307 /nfs/dbraw/zinc/07/03/07/176070307.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191445 176070309 /nfs/dbraw/zinc/07/03/09/176070309.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 3 2 281.488 2.428 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191445 176070310 /nfs/dbraw/zinc/07/03/10/176070310.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 3 2 281.488 2.428 10 0 CEAELP C[NH2+]CC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191450 176070347 /nfs/dbraw/zinc/07/03/47/176070347.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191450 176070349 /nfs/dbraw/zinc/07/03/49/176070349.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191450 176070350 /nfs/dbraw/zinc/07/03/50/176070350.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP C[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191450 176070351 /nfs/dbraw/zinc/07/03/51/176070351.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191395 176070830 /nfs/dbraw/zinc/07/08/30/176070830.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191395 176070832 /nfs/dbraw/zinc/07/08/32/176070832.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191395 176070834 /nfs/dbraw/zinc/07/08/34/176070834.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191395 176070837 /nfs/dbraw/zinc/07/08/37/176070837.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CC(C)[NH2+][C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000071198343 176077067 /nfs/dbraw/zinc/07/70/67/176077067.db2.gz OVSQNQCVOOEKHT-HNNXBMFYSA-N 2 2 250.361 2.441 10 0 CEAELP CC(C)[NH2+][C@H]1CC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000071198343 176077068 /nfs/dbraw/zinc/07/70/68/176077068.db2.gz OVSQNQCVOOEKHT-HNNXBMFYSA-N 2 2 250.361 2.441 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071300573 176113538 /nfs/dbraw/zinc/11/35/38/176113538.db2.gz BCGVRKOSVJVPJD-LRDDRELGSA-N 2 2 271.364 2.294 10 0 CEAELP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC000071308710 176116438 /nfs/dbraw/zinc/11/64/38/176116438.db2.gz RGVYNWXXFSHZTP-JTQLQIEISA-N 2 2 276.833 2.194 10 0 CEAELP CCCN(Cc1cn2cccc(C)c2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000071331400 176124929 /nfs/dbraw/zinc/12/49/29/176124929.db2.gz SOBIOECMHOWZRJ-HNNXBMFYSA-N 2 2 272.396 2.217 10 0 CEAELP CC[C@H]1CN(Cc2cn3ccccc3[nH+]2)[C@H](C2CC2)C[NH2+]1 ZINC000071344180 176131226 /nfs/dbraw/zinc/13/12/26/176131226.db2.gz HVUORDXGTSWUSZ-HOCLYGCPSA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@@]1(C)CN(CCn2cc[nH+]c2C)[C@H](C(C)C)C[NH2+]1 ZINC000071356973 176136578 /nfs/dbraw/zinc/13/65/78/176136578.db2.gz LCBAUKKCDFOJSX-HOTGVXAUSA-N 2 2 278.444 2.290 10 0 CEAELP CC1(C)C[NH2+]C2(CCCC2)CN1CCCn1cc[nH+]c1 ZINC000071358937 176137658 /nfs/dbraw/zinc/13/76/58/176137658.db2.gz MUASGFCCDJXIMQ-UHFFFAOYSA-N 2 2 276.428 2.270 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000071359015 176137688 /nfs/dbraw/zinc/13/76/88/176137688.db2.gz PBTDDSXXGFDHEO-HNNXBMFYSA-N 2 2 276.428 2.270 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1CCn1cccn1 ZINC000071359015 176137689 /nfs/dbraw/zinc/13/76/89/176137689.db2.gz PBTDDSXXGFDHEO-HNNXBMFYSA-N 2 2 276.428 2.270 10 0 CEAELP [NH3+]Cc1ccc(OCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000071398313 176151774 /nfs/dbraw/zinc/15/17/74/176151774.db2.gz QLGWYXIDZHSYKC-UHFFFAOYSA-N 2 2 285.269 2.440 10 0 CEAELP [NH3+][C@H](CCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000071401977 176153791 /nfs/dbraw/zinc/15/37/91/176153791.db2.gz WFZDMERMEUVDPR-DOTOQJQBSA-N 3 2 273.424 2.293 10 0 CEAELP [NH3+][C@H](CCC[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000071401977 176153793 /nfs/dbraw/zinc/15/37/93/176153793.db2.gz WFZDMERMEUVDPR-DOTOQJQBSA-N 3 2 273.424 2.293 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](C3CCCCC3)C2)no1 ZINC000662320787 415779331 /nfs/dbraw/zinc/77/93/31/415779331.db2.gz DRCMVOZARZQSFM-ZDUSSCGKSA-N 2 2 278.400 2.321 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](C3CCCCC3)C2)no1 ZINC000662320787 415779338 /nfs/dbraw/zinc/77/93/38/415779338.db2.gz DRCMVOZARZQSFM-ZDUSSCGKSA-N 2 2 278.400 2.321 10 0 CEAELP C[NH2+]CC[N@H+](C)Cc1cc(C)c(OC)c(C)c1C ZINC000077432373 177268200 /nfs/dbraw/zinc/26/82/00/177268200.db2.gz FECWCIVTGASUIM-UHFFFAOYSA-N 2 2 250.386 2.272 10 0 CEAELP C[NH2+]CC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1C ZINC000077432373 177268202 /nfs/dbraw/zinc/26/82/02/177268202.db2.gz FECWCIVTGASUIM-UHFFFAOYSA-N 2 2 250.386 2.272 10 0 CEAELP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261743686 279003140 /nfs/dbraw/zinc/00/31/40/279003140.db2.gz MVLDCBSHAYLNMD-PWSUYJOCSA-N 2 2 290.342 2.045 10 0 CEAELP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261743686 279003143 /nfs/dbraw/zinc/00/31/43/279003143.db2.gz MVLDCBSHAYLNMD-PWSUYJOCSA-N 2 2 290.342 2.045 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2ccccc21 ZINC000252961337 279373595 /nfs/dbraw/zinc/37/35/95/279373595.db2.gz OALVGAWHANEDKQ-INWMFGNUSA-N 2 2 260.381 2.031 10 0 CEAELP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000134121208 280013849 /nfs/dbraw/zinc/01/38/49/280013849.db2.gz QBUBRQPMWNHFNM-DZKIICNBSA-N 2 2 262.397 2.413 10 0 CEAELP Cc1c(C[NH2+][C@]2(C)CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000406025961 289293272 /nfs/dbraw/zinc/29/32/72/289293272.db2.gz HHZZSXPYXGFQKF-GOSISDBHSA-N 2 2 298.434 2.483 10 0 CEAELP Cc1c(C[NH2+][C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000406025961 289293275 /nfs/dbraw/zinc/29/32/75/289293275.db2.gz HHZZSXPYXGFQKF-GOSISDBHSA-N 2 2 298.434 2.483 10 0 CEAELP COc1ccc2c(c1OC)CC[N@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000262002496 295277859 /nfs/dbraw/zinc/27/78/59/295277859.db2.gz LNARQSRXMYQUDF-QGZVFWFLSA-N 2 2 290.407 2.062 10 0 CEAELP COc1ccc2c(c1OC)CC[N@@H+](C[C@]1(C)CC[NH2+]C1)C2 ZINC000262002496 295277857 /nfs/dbraw/zinc/27/78/57/295277857.db2.gz LNARQSRXMYQUDF-QGZVFWFLSA-N 2 2 290.407 2.062 10 0 CEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261745228 298186793 /nfs/dbraw/zinc/18/67/93/298186793.db2.gz PPVGIERCSXJNKQ-APIJFGDWSA-N 2 2 295.471 2.129 10 0 CEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261745228 298186796 /nfs/dbraw/zinc/18/67/96/298186796.db2.gz PPVGIERCSXJNKQ-APIJFGDWSA-N 2 2 295.471 2.129 10 0 CEAELP CC[NH2+][C@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)C(=O)OCC ZINC000068650092 520238907 /nfs/dbraw/zinc/23/89/07/520238907.db2.gz YKNUJNVYJGNZCF-IAQYHMDHSA-N 2 2 281.400 2.382 10 0 CEAELP CC[N@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(C)CC1 ZINC000050539248 521440496 /nfs/dbraw/zinc/44/04/96/521440496.db2.gz BSZSEPOHAPZTRX-UHFFFAOYSA-N 2 2 264.417 2.150 10 0 CEAELP CC[N@@H+](Cc1cnn(C)c1)C1(C[NH3+])CCC(C)CC1 ZINC000050539248 521440499 /nfs/dbraw/zinc/44/04/99/521440499.db2.gz BSZSEPOHAPZTRX-UHFFFAOYSA-N 2 2 264.417 2.150 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380294 519727718 /nfs/dbraw/zinc/72/77/18/519727718.db2.gz ZMOWKYPVMLYMJN-BETUJISGSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380294 519727719 /nfs/dbraw/zinc/72/77/19/519727719.db2.gz ZMOWKYPVMLYMJN-BETUJISGSA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N(C)Cc2[nH+]ccn2C)C1 ZINC000062251520 519826061 /nfs/dbraw/zinc/82/60/61/519826061.db2.gz RUFAXGWNYCHAHT-MELADBBJSA-N 2 2 264.417 2.004 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@H+](CCC[NH+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975533 /nfs/dbraw/zinc/97/55/33/519975533.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@@H+](CCC[NH+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975539 /nfs/dbraw/zinc/97/55/39/519975539.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@H]1CC[NH+](CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975545 /nfs/dbraw/zinc/97/55/45/519975545.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+]C[C@H]1CC[NH+](CCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975553 /nfs/dbraw/zinc/97/55/53/519975553.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH2+][C@@H](C)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000061275055 520072764 /nfs/dbraw/zinc/07/27/64/520072764.db2.gz DFKAFBOAVDAPCU-AWEZNQCLSA-N 2 2 279.403 2.336 10 0 CEAELP CC[NH2+][C@H]1COc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000062804658 520220794 /nfs/dbraw/zinc/22/07/94/520220794.db2.gz DYTYJHKJQGVIAJ-AWEZNQCLSA-N 2 2 273.336 2.005 10 0 CEAELP CCO[C@H](C[NH3+])CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000062741361 520517722 /nfs/dbraw/zinc/51/77/22/520517722.db2.gz ZJDFCGNNRIRUSI-ZDUSSCGKSA-N 2 2 261.369 2.407 10 0 CEAELP CC[N@H+](C[C@@](C)([NH3+])c1ccccc1)[C@@H](C)COC ZINC000052883589 521234311 /nfs/dbraw/zinc/23/43/11/521234311.db2.gz BDZNGGNTBGEYSG-DZGCQCFKSA-N 2 2 250.386 2.217 10 0 CEAELP CC[N@@H+](C[C@@](C)([NH3+])c1ccccc1)[C@@H](C)COC ZINC000052883589 521234317 /nfs/dbraw/zinc/23/43/17/521234317.db2.gz BDZNGGNTBGEYSG-DZGCQCFKSA-N 2 2 250.386 2.217 10 0 CEAELP CCOC(=O)[C@](Cn1c[nH+]c(C)c1C)([NH2+]C(C)C)C1CC1 ZINC000069193940 521344924 /nfs/dbraw/zinc/34/49/24/521344924.db2.gz VKRSRORBJZPKIQ-MRXNPFEDSA-N 2 2 293.411 2.210 10 0 CEAELP C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000052371712 522032890 /nfs/dbraw/zinc/03/28/90/522032890.db2.gz BCQOIKJPFOFKDC-SNVBAGLBSA-N 2 2 271.202 2.489 10 0 CEAELP C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000052371712 522032895 /nfs/dbraw/zinc/03/28/95/522032895.db2.gz BCQOIKJPFOFKDC-SNVBAGLBSA-N 2 2 271.202 2.489 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)n1C ZINC000070144259 522348299 /nfs/dbraw/zinc/34/82/99/522348299.db2.gz VMJAQAORPOALMB-YNEHKIRRSA-N 2 2 262.401 2.012 10 0 CEAELP CCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000068649458 522593267 /nfs/dbraw/zinc/59/32/67/522593267.db2.gz FKFPPXUNMRVVNL-ABAIWWIYSA-N 2 2 279.384 2.080 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21 ZINC000068648718 523818756 /nfs/dbraw/zinc/81/87/56/523818756.db2.gz VEJZBJFIJXGFKD-WBMJQRKESA-N 2 2 289.379 2.495 10 0 CEAELP COC(=O)[C@](C)(C[C@H](C)n1c[nH+]c(C)c1C)[NH2+]C1CC1 ZINC000068650076 524000952 /nfs/dbraw/zinc/00/09/52/524000952.db2.gz NDKWHIGIJVYJRG-BONVTDFDSA-N 2 2 279.384 2.135 10 0 CEAELP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630024 524580307 /nfs/dbraw/zinc/58/03/07/524580307.db2.gz ATLZBSRGJVLJJZ-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])([N@@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630024 524580310 /nfs/dbraw/zinc/58/03/10/524580310.db2.gz ATLZBSRGJVLJJZ-BFYDXBDKSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCCC1 ZINC000068627007 524630279 /nfs/dbraw/zinc/63/02/79/524630279.db2.gz XPFHLXNEFSTVAA-CXAGYDPISA-N 2 2 295.471 2.416 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCCC1 ZINC000068627007 524630288 /nfs/dbraw/zinc/63/02/88/524630288.db2.gz XPFHLXNEFSTVAA-CXAGYDPISA-N 2 2 295.471 2.416 10 0 CEAELP C[C@H](Cc1ccsc1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000049155897 524764383 /nfs/dbraw/zinc/76/43/83/524764383.db2.gz RPRIWZNOTFCWTD-BXUZGUMPSA-N 2 2 250.411 2.363 10 0 CEAELP C[C@@H](C[C@H](C[NH3+])N(C)Cc1[nH+]ccn1C)c1ccccc1 ZINC000062249624 524852229 /nfs/dbraw/zinc/85/22/29/524852229.db2.gz HRBAQZBKDQIWGT-GOEBONIOSA-N 2 2 286.423 2.373 10 0 CEAELP C[C@@]1(c2ccccc2)C[NH2+]CCN1CCCn1cc[nH+]c1 ZINC000068696521 525902829 /nfs/dbraw/zinc/90/28/29/525902829.db2.gz CBJQWQRSTOQNSM-KRWDZBQOSA-N 2 2 284.407 2.094 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1ccc[nH+]c1NN ZINC000052726301 527172054 /nfs/dbraw/zinc/17/20/54/527172054.db2.gz ZCRKDSZJDICMNE-UHFFFAOYSA-N 2 2 253.309 2.074 10 0 CEAELP [NH3+]C[C@H](c1cccc(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000062245956 527229912 /nfs/dbraw/zinc/22/99/12/527229912.db2.gz ZHLSNQLDBFUIQP-CYBMUJFWSA-N 2 2 276.771 2.052 10 0 CEAELP [NH3+]C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757571 527230536 /nfs/dbraw/zinc/23/05/36/527230536.db2.gz STIWZPHVHRORKD-IUODEOHRSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757571 527230543 /nfs/dbraw/zinc/23/05/43/527230543.db2.gz STIWZPHVHRORKD-IUODEOHRSA-N 2 2 266.360 2.062 10 0 CEAELP CCc1cc(N2CCC([NH3+])CC2)nc(-c2ccncc2)[nH+]1 ZINC000070451841 536144710 /nfs/dbraw/zinc/14/47/10/536144710.db2.gz ZROMLDNJTVNKRF-UHFFFAOYSA-N 2 2 283.379 2.029 10 0 CEAELP C[NH+](C)C1CC[NH+](C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000044132991 624455230 /nfs/dbraw/zinc/45/52/30/624455230.db2.gz SGHQOLABQJUTIA-HNNXBMFYSA-N 2 2 288.391 2.492 10 0 CEAELP Brc1cccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000040175318 361991338 /nfs/dbraw/zinc/99/13/38/361991338.db2.gz TZIBBNBFNKSQHH-UHFFFAOYSA-N 2 2 292.180 2.407 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265972 539213418 /nfs/dbraw/zinc/21/34/18/539213418.db2.gz FYECBMUMWSQBNQ-GFCCVEGCSA-N 3 2 253.434 2.107 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265972 539213419 /nfs/dbraw/zinc/21/34/19/539213419.db2.gz FYECBMUMWSQBNQ-GFCCVEGCSA-N 3 2 253.434 2.107 10 0 CEAELP Clc1cccc2c1C[C@@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000034476848 343419924 /nfs/dbraw/zinc/41/99/24/343419924.db2.gz YUDFNYCWJSTXBV-ZDUSSCGKSA-N 2 2 264.800 2.493 10 0 CEAELP Clc1cccc2c1C[C@@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000034476848 343419925 /nfs/dbraw/zinc/41/99/25/343419925.db2.gz YUDFNYCWJSTXBV-ZDUSSCGKSA-N 2 2 264.800 2.493 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438838 344374137 /nfs/dbraw/zinc/37/41/37/344374137.db2.gz RHZPZUFGDZYOPH-QGZVFWFLSA-N 2 2 276.424 2.422 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000134438838 344374140 /nfs/dbraw/zinc/37/41/40/344374140.db2.gz RHZPZUFGDZYOPH-QGZVFWFLSA-N 2 2 276.424 2.422 10 0 CEAELP CCn1cc[nH+]c1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000051921101 362449391 /nfs/dbraw/zinc/44/93/91/362449391.db2.gz UZSVYAFGRSLGEG-HNNXBMFYSA-N 2 2 272.396 2.296 10 0 CEAELP C[C@@H](C[C@@](C)(O)C[NH3+])n1cc[nH+]c1-c1ccccc1 ZINC000085304761 179012039 /nfs/dbraw/zinc/01/20/39/179012039.db2.gz GBNUOAOQBLTAQS-SWLSCSKDSA-N 2 2 259.353 2.211 10 0 CEAELP CCC[C@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000085455483 179068052 /nfs/dbraw/zinc/06/80/52/179068052.db2.gz JUGXWAWSRQJUSZ-AWEZNQCLSA-N 2 2 264.417 2.126 10 0 CEAELP CC[C@@H]1C[N@H+](CCCOC)C2(CCCCC2)C[NH2+]1 ZINC000085474919 179078536 /nfs/dbraw/zinc/07/85/36/179078536.db2.gz VXYVBBHUAHHCIT-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H]1C[N@@H+](CCCOC)C2(CCCCC2)C[NH2+]1 ZINC000085474919 179078538 /nfs/dbraw/zinc/07/85/38/179078538.db2.gz VXYVBBHUAHHCIT-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC1(C)C[N@H+](C[C@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471525 179076305 /nfs/dbraw/zinc/07/63/05/179076305.db2.gz WHNJRWZNVNAISG-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[N@@H+](C[C@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471525 179076307 /nfs/dbraw/zinc/07/63/07/179076307.db2.gz WHNJRWZNVNAISG-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP CCC1(CC)C[N@H+]([C@@H]2CCOC2)[C@@](C)(CC)C[NH2+]1 ZINC000085520224 179087575 /nfs/dbraw/zinc/08/75/75/179087575.db2.gz XVIDTZLVWYSRBE-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC1(CC)C[N@@H+]([C@@H]2CCOC2)[C@@](C)(CC)C[NH2+]1 ZINC000085520224 179087576 /nfs/dbraw/zinc/08/75/76/179087576.db2.gz XVIDTZLVWYSRBE-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000085498027 179083850 /nfs/dbraw/zinc/08/38/50/179083850.db2.gz LKUHIRWZDBINEX-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000085498027 179083851 /nfs/dbraw/zinc/08/38/51/179083851.db2.gz LKUHIRWZDBINEX-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529181 179091244 /nfs/dbraw/zinc/09/12/44/179091244.db2.gz AIYCLMKZYPLBLB-DZGCQCFKSA-N 2 2 264.413 2.020 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529181 179091245 /nfs/dbraw/zinc/09/12/45/179091245.db2.gz AIYCLMKZYPLBLB-DZGCQCFKSA-N 2 2 264.413 2.020 10 0 CEAELP c1ccc(C[C@@H]2C[N@H+](Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608807 179101182 /nfs/dbraw/zinc/10/11/82/179101182.db2.gz UYLXUDFCVMSJTM-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[C@@H]2C[N@@H+](Cc3ccncc3)CCC[NH2+]2)cc1 ZINC000085608807 179101185 /nfs/dbraw/zinc/10/11/85/179101185.db2.gz UYLXUDFCVMSJTM-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612959 179103414 /nfs/dbraw/zinc/10/34/14/179103414.db2.gz ZSZXCOLKVKYINH-LBPRGKRZSA-N 2 2 280.334 2.029 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612959 179103415 /nfs/dbraw/zinc/10/34/15/179103415.db2.gz ZSZXCOLKVKYINH-LBPRGKRZSA-N 2 2 280.334 2.029 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](c2ccccc2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621610 179106047 /nfs/dbraw/zinc/10/60/47/179106047.db2.gz VPAXWWWYBPROPD-WMLDXEAASA-N 2 2 284.407 2.345 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](c2ccccc2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621610 179106049 /nfs/dbraw/zinc/10/60/49/179106049.db2.gz VPAXWWWYBPROPD-WMLDXEAASA-N 2 2 284.407 2.345 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085670397 179111317 /nfs/dbraw/zinc/11/13/17/179111317.db2.gz OVGNIRILLUHRKB-IHRRRGAJSA-N 2 2 254.418 2.121 10 0 CEAELP C[NH2+][C@H](Cc1ccccc1Br)C[NH+](C)C ZINC000085799219 179173369 /nfs/dbraw/zinc/17/33/69/179173369.db2.gz ZIXSDXJIJRGZCM-LLVKDONJSA-N 2 2 271.202 2.141 10 0 CEAELP CCC[NH2+][C@H](CCO)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000085923299 179201228 /nfs/dbraw/zinc/20/12/28/179201228.db2.gz WSTAXVQBICAIAB-CQSZACIVSA-N 2 2 275.396 2.404 10 0 CEAELP Cn1cc[nH+]c1CN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000086264790 179260944 /nfs/dbraw/zinc/26/09/44/179260944.db2.gz BESGHSLKGQQQBZ-OAHLLOKOSA-N 2 2 284.407 2.345 10 0 CEAELP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000086297161 179268385 /nfs/dbraw/zinc/26/83/85/179268385.db2.gz SAOUOEXZLUHGGX-LBPRGKRZSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1ncsc1C[N@H+]1CCC[NH2+][C@H](C(C)C)C1 ZINC000086297161 179268387 /nfs/dbraw/zinc/26/83/87/179268387.db2.gz SAOUOEXZLUHGGX-LBPRGKRZSA-N 2 2 253.415 2.271 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334292156 539588755 /nfs/dbraw/zinc/58/87/55/539588755.db2.gz NCFDEWSDJAUUFW-OAHLLOKOSA-N 2 2 262.401 2.040 10 0 CEAELP CC[N@H+](C1CCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819295 179348544 /nfs/dbraw/zinc/34/85/44/179348544.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 2 253.434 2.064 10 0 CEAELP CC[N@@H+](C1CCCC1)[C@@]1(CN)CCC[NH+](C)CC1 ZINC000086819295 179348548 /nfs/dbraw/zinc/34/85/48/179348548.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 2 253.434 2.064 10 0 CEAELP CC[NH+](C1CCCC1)[C@@]1(CN)CCC[N@H+](C)CC1 ZINC000086819295 179348549 /nfs/dbraw/zinc/34/85/49/179348549.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 2 253.434 2.064 10 0 CEAELP CC[NH+](C1CCCC1)[C@@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819295 179348551 /nfs/dbraw/zinc/34/85/51/179348551.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 2 253.434 2.064 10 0 CEAELP CC[N@@H+]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838371 179352064 /nfs/dbraw/zinc/35/20/64/179352064.db2.gz YKGYGMZCZLBKOD-ZDUSSCGKSA-N 2 2 262.401 2.434 10 0 CEAELP CC[N@H+]1CCC[C@H](Nc2ccc(N(C)C)[nH+]c2)CC1 ZINC000086838371 179352067 /nfs/dbraw/zinc/35/20/67/179352067.db2.gz YKGYGMZCZLBKOD-ZDUSSCGKSA-N 2 2 262.401 2.434 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840404 179353146 /nfs/dbraw/zinc/35/31/46/179353146.db2.gz XLYTZSAKQHCDFO-KBPBESRZSA-N 2 2 291.443 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840404 179353148 /nfs/dbraw/zinc/35/31/48/179353148.db2.gz XLYTZSAKQHCDFO-KBPBESRZSA-N 2 2 291.443 2.139 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991972 179375062 /nfs/dbraw/zinc/37/50/62/179375062.db2.gz AAYJWMOHFVCGEA-RISCZKNCSA-N 2 2 284.375 2.191 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991972 179375064 /nfs/dbraw/zinc/37/50/64/179375064.db2.gz AAYJWMOHFVCGEA-RISCZKNCSA-N 2 2 284.375 2.191 10 0 CEAELP CCOC(=O)c1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000616619878 348536371 /nfs/dbraw/zinc/53/63/71/348536371.db2.gz SEXIYSUEQMCIFF-UHFFFAOYSA-N 2 2 276.380 2.001 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616620789 348537095 /nfs/dbraw/zinc/53/70/95/348537095.db2.gz LMPJOVZVCSYSJD-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616620789 348537098 /nfs/dbraw/zinc/53/70/98/348537098.db2.gz LMPJOVZVCSYSJD-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616620517 348537122 /nfs/dbraw/zinc/53/71/22/348537122.db2.gz LDOMBLSEUIDALB-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616620517 348537125 /nfs/dbraw/zinc/53/71/25/348537125.db2.gz LDOMBLSEUIDALB-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc(CO)cc1 ZINC000616679356 348558400 /nfs/dbraw/zinc/55/84/00/348558400.db2.gz GNGOQVIEMKVDGU-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccc(CO)cc1 ZINC000616679356 348558403 /nfs/dbraw/zinc/55/84/03/348558403.db2.gz GNGOQVIEMKVDGU-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP COc1ccccc1OCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000088415627 179596467 /nfs/dbraw/zinc/59/64/67/179596467.db2.gz SJOFCTDOFWTZNA-OAHLLOKOSA-N 2 2 290.407 2.148 10 0 CEAELP COc1ccccc1OCC[N@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000088415627 179596468 /nfs/dbraw/zinc/59/64/68/179596468.db2.gz SJOFCTDOFWTZNA-OAHLLOKOSA-N 2 2 290.407 2.148 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2cc(C)nn2CC)CCC[NH2+]1 ZINC000089211238 179755990 /nfs/dbraw/zinc/75/59/90/179755990.db2.gz UTBGIWOCPQBBLL-CJNGLKHVSA-N 2 2 278.444 2.421 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2cc(C)nn2CC)CCC[NH2+]1 ZINC000089211238 179755992 /nfs/dbraw/zinc/75/59/92/179755992.db2.gz UTBGIWOCPQBBLL-CJNGLKHVSA-N 2 2 278.444 2.421 10 0 CEAELP CCc1nn(CC)c(Cn2cc[nH+]c2C[C@H](C)[NH3+])c1Cl ZINC000089378546 179775013 /nfs/dbraw/zinc/77/50/13/179775013.db2.gz GZOYQUHUPZLASS-JTQLQIEISA-N 2 2 295.818 2.253 10 0 CEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC(C)(C)C1 ZINC000068802827 362947485 /nfs/dbraw/zinc/94/74/85/362947485.db2.gz HMKJGIHWGKGELZ-QLFBSQMISA-N 2 2 267.461 2.037 10 0 CEAELP CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1c[nH+]cn1C ZINC000090167495 179924208 /nfs/dbraw/zinc/92/42/08/179924208.db2.gz WDLNMRGGPQMOOY-CYBMUJFWSA-N 2 2 278.787 2.205 10 0 CEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC(C)(C)C1 ZINC000068802827 362947489 /nfs/dbraw/zinc/94/74/89/362947489.db2.gz HMKJGIHWGKGELZ-QLFBSQMISA-N 2 2 267.461 2.037 10 0 CEAELP COCc1cccc(C[NH2+]C[C@H](C)[NH+]2CCCC2)c1 ZINC000090714342 180028565 /nfs/dbraw/zinc/02/85/65/180028565.db2.gz CPLWQVZXZWBPHB-AWEZNQCLSA-N 2 2 262.397 2.407 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)O2 ZINC000090897657 180057165 /nfs/dbraw/zinc/05/71/65/180057165.db2.gz IAIOLDDDXOLUDB-HIFRSBDPSA-N 2 2 271.364 2.173 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@H]1Cc2cc(C)ccc2O1 ZINC000090901953 180059780 /nfs/dbraw/zinc/05/97/80/180059780.db2.gz OKVCFGPPBSRCNQ-OAHLLOKOSA-N 2 2 271.364 2.223 10 0 CEAELP C[C@H]([NH3+])Cc1cccn1Cc1cn2ccccc2[nH+]1 ZINC000091005321 180084753 /nfs/dbraw/zinc/08/47/53/180084753.db2.gz LEXFCBJWXKNCKT-LBPRGKRZSA-N 2 2 254.337 2.074 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016169 180086872 /nfs/dbraw/zinc/08/68/72/180086872.db2.gz VUEVBLUOEPUJSG-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016169 180086874 /nfs/dbraw/zinc/08/68/74/180086874.db2.gz VUEVBLUOEPUJSG-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@H]1CSCC[NH2+]1)n2C ZINC000091128501 180100441 /nfs/dbraw/zinc/10/04/41/180100441.db2.gz MDJGCAXPRULAIP-NSHDSACASA-N 2 2 261.394 2.129 10 0 CEAELP CC(C)N1C(=O)CCC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275595 180119101 /nfs/dbraw/zinc/11/91/01/180119101.db2.gz VSSMVMGRYIVVJY-DOMZBBRYSA-N 2 2 276.384 2.007 10 0 CEAELP CN(C)c1cc[nH+]cc1NCc1c[nH+]cn1C1CC1 ZINC000091274594 180119210 /nfs/dbraw/zinc/11/92/10/180119210.db2.gz XTCKIZVLWIRFIE-UHFFFAOYSA-N 2 2 257.341 2.291 10 0 CEAELP CN(c1ccc(F)cc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276469 180120150 /nfs/dbraw/zinc/12/01/50/180120150.db2.gz HSBGALVUTUHPHE-AWEZNQCLSA-N 2 2 274.343 2.493 10 0 CEAELP CCCCN([C@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CC1 ZINC000091276378 180120205 /nfs/dbraw/zinc/12/02/05/180120205.db2.gz NWEGNWNGNXLSAO-CQSZACIVSA-N 2 2 262.401 2.482 10 0 CEAELP CCC1CCN([C@H](C[NH3+])c2c[nH+]cn2C2CC2)CC1 ZINC000091276336 180120307 /nfs/dbraw/zinc/12/03/07/180120307.db2.gz GCEJQFRTUNPCSJ-CQSZACIVSA-N 2 2 262.401 2.340 10 0 CEAELP C[N@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000091451304 180158969 /nfs/dbraw/zinc/15/89/69/180158969.db2.gz FCEHXMPUVLEATH-DBRPNBKGSA-N 2 2 268.788 2.043 10 0 CEAELP C[N@@H+](CC1CC(O)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000091451304 180158971 /nfs/dbraw/zinc/15/89/71/180158971.db2.gz FCEHXMPUVLEATH-DBRPNBKGSA-N 2 2 268.788 2.043 10 0 CEAELP CCN(CC)C1([C@@H](Cc2c[nH+]ccc2N)[NH2+]C)CCCC1 ZINC000091639459 180212251 /nfs/dbraw/zinc/21/22/51/180212251.db2.gz GJRFFBKBLHJZHD-MRXNPFEDSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)C1([C@@H](Cc2c[nH+]ccc2N)NC)CCCC1 ZINC000091639459 180212252 /nfs/dbraw/zinc/21/22/52/180212252.db2.gz GJRFFBKBLHJZHD-MRXNPFEDSA-N 2 2 290.455 2.449 10 0 CEAELP C[NH2+][C@H](Cc1c[nH+]ccc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640886 180212926 /nfs/dbraw/zinc/21/29/26/180212926.db2.gz BZWKMKFRACBTTQ-MRXNPFEDSA-N 3 2 288.439 2.203 10 0 CEAELP Nc1cc(C[C@H](N)C2([NH+]3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641838 180213542 /nfs/dbraw/zinc/21/35/42/180213542.db2.gz XPFVFWJMNSEYIN-HNNXBMFYSA-N 2 2 288.439 2.332 10 0 CEAELP Nc1cc(C[C@H]([NH3+])C2(N3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641838 180213543 /nfs/dbraw/zinc/21/35/43/180213543.db2.gz XPFVFWJMNSEYIN-HNNXBMFYSA-N 2 2 288.439 2.332 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C1([NH+](C)C)CCCCC1 ZINC000091647772 180215760 /nfs/dbraw/zinc/21/57/60/180215760.db2.gz KINFUBMSOLUHJY-INIZCTEOSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721583 180237483 /nfs/dbraw/zinc/23/74/83/180237483.db2.gz NASLAQINNQSJFB-DAXOMENPSA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721583 180237487 /nfs/dbraw/zinc/23/74/87/180237487.db2.gz NASLAQINNQSJFB-DAXOMENPSA-N 2 2 296.361 2.479 10 0 CEAELP CN(c1cn[nH+]c2ccccc21)C1CCC([NH3+])CC1 ZINC000091849528 180271516 /nfs/dbraw/zinc/27/15/16/180271516.db2.gz SEVZXAINAOLIAI-UHFFFAOYSA-N 2 2 256.353 2.336 10 0 CEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092082628 180319796 /nfs/dbraw/zinc/31/97/96/180319796.db2.gz SBGQCUGCXACUNP-BZPMIXESSA-N 2 2 276.380 2.045 10 0 CEAELP C[C@@H](C[NH2+]C[C@@H]1CSc2ccccc21)[NH+](C)C ZINC000092275330 180356794 /nfs/dbraw/zinc/35/67/94/180356794.db2.gz BUPLYWQZARQNCX-NWDGAFQWSA-N 2 2 250.411 2.416 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@H]1COc2ccccc21 ZINC000092300086 180358900 /nfs/dbraw/zinc/35/89/00/180358900.db2.gz BRTLVWNQDACFBJ-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCCC2)nc[nH+]1 ZINC000105904850 186087111 /nfs/dbraw/zinc/08/71/11/186087111.db2.gz AIKLTPWEQIPAFR-CYBMUJFWSA-N 2 2 275.400 2.019 10 0 CEAELP Cc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc[nH+]1 ZINC000092349313 180367192 /nfs/dbraw/zinc/36/71/92/180367192.db2.gz XJJDAJHRAPPACC-CQSZACIVSA-N 2 2 255.321 2.071 10 0 CEAELP Cc1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc[nH+]1 ZINC000092349311 180367287 /nfs/dbraw/zinc/36/72/87/180367287.db2.gz XJJDAJHRAPPACC-AWEZNQCLSA-N 2 2 255.321 2.071 10 0 CEAELP Cc1cc(NC(=O)c2csc([C@@H](C)[NH3+])n2)cc[nH+]1 ZINC000092349814 180367744 /nfs/dbraw/zinc/36/77/44/180367744.db2.gz SREZRJDIVGURJG-MRVPVSSYSA-N 2 2 262.338 2.119 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000092418743 180380762 /nfs/dbraw/zinc/38/07/62/180380762.db2.gz IVEIBFLAJMCKAA-AWEZNQCLSA-N 2 2 295.427 2.387 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](CCOC)[C@@H](C)COC)c1 ZINC000092418743 180380764 /nfs/dbraw/zinc/38/07/64/180380764.db2.gz IVEIBFLAJMCKAA-AWEZNQCLSA-N 2 2 295.427 2.387 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417406 180380876 /nfs/dbraw/zinc/38/08/76/180380876.db2.gz IZYNYOYNTWYKJS-GWCFXTLKSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417406 180380878 /nfs/dbraw/zinc/38/08/78/180380878.db2.gz IZYNYOYNTWYKJS-GWCFXTLKSA-N 2 2 265.788 2.165 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@H]([NH3+])C3)cc1 ZINC000107827623 186193979 /nfs/dbraw/zinc/19/39/79/186193979.db2.gz NOXGJMYEZJTFPH-JQWIXIFHSA-N 2 2 257.337 2.393 10 0 CEAELP COc1ccc(OC)c(-c2cn3c([nH+]2)[C@@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827777 186194544 /nfs/dbraw/zinc/19/45/44/186194544.db2.gz BSZZPJMMIAFKIA-WDEREUQCSA-N 2 2 287.363 2.402 10 0 CEAELP [NH3+]C[C@]1([NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC000109431550 186252313 /nfs/dbraw/zinc/25/23/13/186252313.db2.gz FSFCFJVGRSOYAL-QGZVFWFLSA-N 2 2 274.408 2.059 10 0 CEAELP CCC[N@H+](Cc1c(C)nn(C)c1C)[C@H]1CCC[NH2+]C1 ZINC000110938758 186334390 /nfs/dbraw/zinc/33/43/90/186334390.db2.gz VOXNDQDTVKLSSR-AWEZNQCLSA-N 2 2 264.417 2.001 10 0 CEAELP CCC[N@@H+](Cc1c(C)nn(C)c1C)[C@H]1CCC[NH2+]C1 ZINC000110938758 186334392 /nfs/dbraw/zinc/33/43/92/186334392.db2.gz VOXNDQDTVKLSSR-AWEZNQCLSA-N 2 2 264.417 2.001 10 0 CEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111160423 186361642 /nfs/dbraw/zinc/36/16/42/186361642.db2.gz WXXCOMHDHPEGHS-SOUVJXGZSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111160423 186361643 /nfs/dbraw/zinc/36/16/43/186361643.db2.gz WXXCOMHDHPEGHS-SOUVJXGZSA-N 2 2 254.418 2.395 10 0 CEAELP CCOCC[N@H+](CC)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118728 186355178 /nfs/dbraw/zinc/35/51/78/186355178.db2.gz CAJYEFRBXOCNAX-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CCOCC[N@@H+](CC)[C@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118728 186355180 /nfs/dbraw/zinc/35/51/80/186355180.db2.gz CAJYEFRBXOCNAX-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CCOc1cc(N(C)CCC[NH+](C)C)ccc1[NH3+] ZINC000111132326 186355929 /nfs/dbraw/zinc/35/59/29/186355929.db2.gz ZEPKTLHDHRDYGE-UHFFFAOYSA-N 2 2 251.374 2.055 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154965 186359953 /nfs/dbraw/zinc/35/99/53/186359953.db2.gz RLLVKXUCDXPRHV-OBJOEFQTSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154965 186359955 /nfs/dbraw/zinc/35/99/55/186359955.db2.gz RLLVKXUCDXPRHV-OBJOEFQTSA-N 2 2 268.426 2.495 10 0 CEAELP Cc1cc(C)c(C(N)=O)c(Nc2ccc(CC[NH3+])cc2)[nH+]1 ZINC000111375872 186409963 /nfs/dbraw/zinc/40/99/63/186409963.db2.gz OTXFYDQJAHDLQR-UHFFFAOYSA-N 2 2 284.363 2.042 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]12 ZINC000629520423 351386430 /nfs/dbraw/zinc/38/64/30/351386430.db2.gz VZQQSDBZQKEJTF-UFGOTCBOSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccncc3Br)C[C@@H]12 ZINC000629520423 351386436 /nfs/dbraw/zinc/38/64/36/351386436.db2.gz VZQQSDBZQKEJTF-UFGOTCBOSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438271 187091685 /nfs/dbraw/zinc/09/16/85/187091685.db2.gz GUJWFFNCHFYRCF-NSHDSACASA-N 2 2 281.787 2.092 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000123438271 187091686 /nfs/dbraw/zinc/09/16/86/187091686.db2.gz GUJWFFNCHFYRCF-NSHDSACASA-N 2 2 281.787 2.092 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccon3)C2)[nH+]1 ZINC000157744251 188336130 /nfs/dbraw/zinc/33/61/30/188336130.db2.gz NVQBWSSBYYBXAB-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccon3)C2)[nH+]1 ZINC000157744251 188336132 /nfs/dbraw/zinc/33/61/32/188336132.db2.gz NVQBWSSBYYBXAB-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000157998448 188352041 /nfs/dbraw/zinc/35/20/41/188352041.db2.gz GYBDYUXDSABVHX-CYBMUJFWSA-N 2 2 260.341 2.271 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000157998448 188352043 /nfs/dbraw/zinc/35/20/43/188352043.db2.gz GYBDYUXDSABVHX-CYBMUJFWSA-N 2 2 260.341 2.271 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277716 366636661 /nfs/dbraw/zinc/63/66/61/366636661.db2.gz BWCJZAWATYGCLA-CHWSQXEVSA-N 2 2 297.830 2.232 10 0 CEAELP COc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151282450 366637204 /nfs/dbraw/zinc/63/72/04/366637204.db2.gz HYHYPHXRUYUANA-CABCVRRESA-N 2 2 292.423 2.193 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(C(C)C)no1 ZINC000178312255 189105953 /nfs/dbraw/zinc/10/59/53/189105953.db2.gz UUTWHQXJFMCZIC-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(C(C)C)no1 ZINC000178312255 189105954 /nfs/dbraw/zinc/10/59/54/189105954.db2.gz UUTWHQXJFMCZIC-CYBMUJFWSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000178316946 189107035 /nfs/dbraw/zinc/10/70/35/189107035.db2.gz RZVBNEKMYUZRJX-HNNXBMFYSA-N 2 2 256.353 2.251 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000178316946 189107036 /nfs/dbraw/zinc/10/70/36/189107036.db2.gz RZVBNEKMYUZRJX-HNNXBMFYSA-N 2 2 256.353 2.251 10 0 CEAELP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178324322 189107568 /nfs/dbraw/zinc/10/75/68/189107568.db2.gz AKIKYKJXJKIEPQ-OAHLLOKOSA-N 2 2 287.411 2.206 10 0 CEAELP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178324322 189107569 /nfs/dbraw/zinc/10/75/69/189107569.db2.gz AKIKYKJXJKIEPQ-OAHLLOKOSA-N 2 2 287.411 2.206 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccn1C ZINC000180132622 189238199 /nfs/dbraw/zinc/23/81/99/189238199.db2.gz UJEWLRZZBNCHRT-HNNXBMFYSA-N 2 2 258.369 2.195 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccn1C ZINC000180132622 189238200 /nfs/dbraw/zinc/23/82/00/189238200.db2.gz UJEWLRZZBNCHRT-HNNXBMFYSA-N 2 2 258.369 2.195 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000182134188 189314964 /nfs/dbraw/zinc/31/49/64/189314964.db2.gz BSPRTPQVRLIWMQ-LSDHHAIUSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000182134188 189314965 /nfs/dbraw/zinc/31/49/65/189314965.db2.gz BSPRTPQVRLIWMQ-LSDHHAIUSA-N 2 2 288.395 2.481 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232462 189351656 /nfs/dbraw/zinc/35/16/56/189351656.db2.gz RSJABOUEVWIIOV-QWHCGFSZSA-N 2 2 298.377 2.462 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(F)c1F ZINC000183232481 189351551 /nfs/dbraw/zinc/35/15/51/189351551.db2.gz RSJABOUEVWIIOV-CHWSQXEVSA-N 2 2 298.377 2.462 10 0 CEAELP CCc1cc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)nc(C)[nH+]1 ZINC000302111111 201345295 /nfs/dbraw/zinc/34/52/95/201345295.db2.gz UGSPDSRYBBXRKH-CABCVRRESA-N 2 2 290.411 2.013 10 0 CEAELP CCc1cc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)nc(C)[nH+]1 ZINC000302111111 201345298 /nfs/dbraw/zinc/34/52/98/201345298.db2.gz UGSPDSRYBBXRKH-CABCVRRESA-N 2 2 290.411 2.013 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]c1 ZINC000112697428 364827891 /nfs/dbraw/zinc/82/78/91/364827891.db2.gz KDOSEEWALNWLNZ-HNNXBMFYSA-N 2 2 275.396 2.242 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]c1 ZINC000112697428 364827895 /nfs/dbraw/zinc/82/78/95/364827895.db2.gz KDOSEEWALNWLNZ-HNNXBMFYSA-N 2 2 275.396 2.242 10 0 CEAELP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000120371277 365414131 /nfs/dbraw/zinc/41/41/31/365414131.db2.gz PZIHKDOHTVXXBT-STQMWFEESA-N 2 2 277.416 2.123 10 0 CEAELP CCCOc1ccc(OCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000233250419 370518144 /nfs/dbraw/zinc/51/81/44/370518144.db2.gz PGRYAODQMHXTLT-BBRMVZONSA-N 2 2 278.396 2.133 10 0 CEAELP CCCOc1ccc(OCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000233250419 370518145 /nfs/dbraw/zinc/51/81/45/370518145.db2.gz PGRYAODQMHXTLT-BBRMVZONSA-N 2 2 278.396 2.133 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000231668284 370486052 /nfs/dbraw/zinc/48/60/52/370486052.db2.gz OLNCERVDFJHJGI-INIZCTEOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1C ZINC000231668284 370486058 /nfs/dbraw/zinc/48/60/58/370486058.db2.gz OLNCERVDFJHJGI-INIZCTEOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc2cc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2n1 ZINC000235402968 370564821 /nfs/dbraw/zinc/56/48/21/370564821.db2.gz SHGLOCLVRYAVET-ABAIWWIYSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)ccc2n1 ZINC000235402968 370564825 /nfs/dbraw/zinc/56/48/25/370564825.db2.gz SHGLOCLVRYAVET-ABAIWWIYSA-N 2 2 255.365 2.322 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000235661007 370572389 /nfs/dbraw/zinc/57/23/89/370572389.db2.gz GSZLLCHTRIFWNZ-CABZTGNLSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1[NH3+] ZINC000235661007 370572390 /nfs/dbraw/zinc/57/23/90/370572390.db2.gz GSZLLCHTRIFWNZ-CABZTGNLSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@H](C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000247208896 371076838 /nfs/dbraw/zinc/07/68/38/371076838.db2.gz UKYCYRTUDCTWPL-ZBFHGGJFSA-N 2 2 262.397 2.053 10 0 CEAELP C[C@H](C[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000247208896 371076846 /nfs/dbraw/zinc/07/68/46/371076846.db2.gz UKYCYRTUDCTWPL-ZBFHGGJFSA-N 2 2 262.397 2.053 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000261920114 371770338 /nfs/dbraw/zinc/77/03/38/371770338.db2.gz BOKXMVHOZIDDIZ-ZFWWWQNUSA-N 2 2 262.397 2.483 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000261920114 371770345 /nfs/dbraw/zinc/77/03/45/371770345.db2.gz BOKXMVHOZIDDIZ-ZFWWWQNUSA-N 2 2 262.397 2.483 10 0 CEAELP CCCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247168124 220219179 /nfs/dbraw/zinc/21/91/79/220219179.db2.gz VEBRNBJVTUDDGP-ZFWWWQNUSA-N 2 2 293.411 2.388 10 0 CEAELP CCCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247168124 220219182 /nfs/dbraw/zinc/21/91/82/220219182.db2.gz VEBRNBJVTUDDGP-ZFWWWQNUSA-N 2 2 293.411 2.388 10 0 CEAELP c1ccc(Nc2cc(N[C@@H]3CCC[NH2+]C3)nc[nH+]2)cc1 ZINC000057330519 542181212 /nfs/dbraw/zinc/18/12/12/542181212.db2.gz IQNGJYWQGWTTEA-CYBMUJFWSA-N 2 2 269.352 2.384 10 0 CEAELP [NH2+]=C1NC[C@H](c2c[nH+]cn2C2CC2)N1Cc1cccs1 ZINC000093392940 184670153 /nfs/dbraw/zinc/67/01/53/184670153.db2.gz WXBFUWPFDSCYEB-CYBMUJFWSA-N 2 2 287.392 2.151 10 0 CEAELP COC1CC[NH+]([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640739 177834953 /nfs/dbraw/zinc/83/49/53/177834953.db2.gz UVJUVGZFWCJCCS-GDBMZVCRSA-N 2 2 266.429 2.395 10 0 CEAELP CCn1cc[nH+]c1C[C@H](N)[C@](C)(CC)[NH+]1CCCCC1 ZINC000094163324 184758160 /nfs/dbraw/zinc/75/81/60/184758160.db2.gz GINNPWLEBKCOJE-HOCLYGCPSA-N 2 2 278.444 2.427 10 0 CEAELP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000400509573 533463438 /nfs/dbraw/zinc/46/34/38/533463438.db2.gz FEKAPIUSMXMSHP-ZBFHGGJFSA-N 2 2 284.407 2.019 10 0 CEAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246135026 394509474 /nfs/dbraw/zinc/50/94/74/394509474.db2.gz AGYHKWFBOPPCNZ-MJBXVCDLSA-N 2 2 284.444 2.425 10 0 CEAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246135026 394509477 /nfs/dbraw/zinc/50/94/77/394509477.db2.gz AGYHKWFBOPPCNZ-MJBXVCDLSA-N 2 2 284.444 2.425 10 0 CEAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384427463 395193808 /nfs/dbraw/zinc/19/38/08/395193808.db2.gz DMLSVNXABDJBNF-RBSFLKMASA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384427463 395193811 /nfs/dbraw/zinc/19/38/11/395193811.db2.gz DMLSVNXABDJBNF-RBSFLKMASA-N 2 2 254.418 2.002 10 0 CEAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000649577088 396196524 /nfs/dbraw/zinc/19/65/24/396196524.db2.gz XRGZXXDCBVHNJP-GJZGRUSLSA-N 2 2 254.418 2.002 10 0 CEAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000649577088 396196526 /nfs/dbraw/zinc/19/65/26/396196526.db2.gz XRGZXXDCBVHNJP-GJZGRUSLSA-N 2 2 254.418 2.002 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191479262 153178475 /nfs/dbraw/zinc/17/84/75/153178475.db2.gz IMLGGXFUGQTIQY-OAHLLOKOSA-N 2 2 264.417 2.289 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000191479262 153178478 /nfs/dbraw/zinc/17/84/78/153178478.db2.gz IMLGGXFUGQTIQY-OAHLLOKOSA-N 2 2 264.417 2.289 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920022 153876816 /nfs/dbraw/zinc/87/68/16/153876816.db2.gz BMOKOTHASADRJT-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920022 153876825 /nfs/dbraw/zinc/87/68/25/153876825.db2.gz BMOKOTHASADRJT-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCOC(C)C ZINC000178331012 165233679 /nfs/dbraw/zinc/23/36/79/165233679.db2.gz OXXZVJHIDMUQJA-HNNXBMFYSA-N 2 2 265.401 2.471 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCOC(C)C ZINC000178331012 165233683 /nfs/dbraw/zinc/23/36/83/165233683.db2.gz OXXZVJHIDMUQJA-HNNXBMFYSA-N 2 2 265.401 2.471 10 0 CEAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC[NH+]1CCCCC1)C2 ZINC000020523990 171237060 /nfs/dbraw/zinc/23/70/60/171237060.db2.gz GDGVYXBHGBXADC-MQVJKMGUSA-N 3 2 265.445 2.077 10 0 CEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC[NH+]1CCCCC1)C2 ZINC000020523990 171237061 /nfs/dbraw/zinc/23/70/61/171237061.db2.gz GDGVYXBHGBXADC-MQVJKMGUSA-N 3 2 265.445 2.077 10 0 CEAELP Cc1ncsc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037320427 173121362 /nfs/dbraw/zinc/12/13/62/173121362.db2.gz OVVABXQZEJGNEZ-ONGXEEELSA-N 2 2 250.371 2.387 10 0 CEAELP [NH3+]CC[N@H+](CCc1ccncc1)Cc1ccccc1 ZINC000038033262 174030940 /nfs/dbraw/zinc/03/09/40/174030940.db2.gz MCKNFRHZTFNJAF-UHFFFAOYSA-N 2 2 255.365 2.085 10 0 CEAELP [NH3+]CC[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000038033262 174030942 /nfs/dbraw/zinc/03/09/42/174030942.db2.gz MCKNFRHZTFNJAF-UHFFFAOYSA-N 2 2 255.365 2.085 10 0 CEAELP C[C@H](CN[C@H](c1cccs1)c1[nH+]ccn1C)[NH+](C)C ZINC000038087562 174099282 /nfs/dbraw/zinc/09/92/82/174099282.db2.gz YNFYFWSBPMHXCD-DGCLKSJQSA-N 2 2 278.425 2.111 10 0 CEAELP COc1ccc(C2CC([NH2+]C[C@H](C)[NH+](C)C)C2)cc1 ZINC000038087767 174100333 /nfs/dbraw/zinc/10/03/33/174100333.db2.gz KMMSIFNOCLFUBG-GRTSSRMGSA-N 2 2 262.397 2.481 10 0 CEAELP COc1ccccc1C1CC([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000038087787 174100923 /nfs/dbraw/zinc/10/09/23/174100923.db2.gz ARGOMFPTVAJTJF-HSBZDZAISA-N 2 2 262.397 2.481 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098049 174112688 /nfs/dbraw/zinc/11/26/88/174112688.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098049 174112690 /nfs/dbraw/zinc/11/26/90/174112690.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502624 174298758 /nfs/dbraw/zinc/29/87/58/174298758.db2.gz BXBIIJNMQPNCCI-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502624 174298760 /nfs/dbraw/zinc/29/87/60/174298760.db2.gz BXBIIJNMQPNCCI-GOEBONIOSA-N 3 2 267.461 2.181 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccccn2)[nH+]1 ZINC000040509448 174303268 /nfs/dbraw/zinc/30/32/68/174303268.db2.gz POZCCQYVGAWCEQ-UHFFFAOYSA-N 2 2 256.353 2.189 10 0 CEAELP Cc1nc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cs1 ZINC000040639110 174363959 /nfs/dbraw/zinc/36/39/59/174363959.db2.gz UQRTUUYSRFYZOF-VIFPVBQESA-N 2 2 250.371 2.078 10 0 CEAELP Cc1[nH]c(CN[C@@H](C[NH+](C)C)c2ccccc2)[nH+]c1C ZINC000657298918 414843547 /nfs/dbraw/zinc/84/35/47/414843547.db2.gz YDDIXSWVNVAXCD-HNNXBMFYSA-N 2 2 272.396 2.419 10 0 CEAELP CCC[NH+]1CCC([NH2+]CC(=O)Nc2ccccc2)CC1 ZINC000042314359 174682488 /nfs/dbraw/zinc/68/24/88/174682488.db2.gz DTAIMOXREIUEOF-UHFFFAOYSA-N 2 2 275.396 2.089 10 0 CEAELP C[C@@H]1CC(C[NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H](C)O1 ZINC000657458922 414949165 /nfs/dbraw/zinc/94/91/65/414949165.db2.gz RBLMSMIEJYYTCD-VXGBXAGGSA-N 2 2 263.385 2.123 10 0 CEAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCSCC2)c1C ZINC000043314526 175004864 /nfs/dbraw/zinc/00/48/64/175004864.db2.gz SHICITKVGAIBJQ-AWEZNQCLSA-N 2 2 250.411 2.352 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCC1 ZINC000043354625 175022025 /nfs/dbraw/zinc/02/20/25/175022025.db2.gz KWMPFWARSJDPQN-JKSUJKDBSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCC1 ZINC000043354625 175022026 /nfs/dbraw/zinc/02/20/26/175022026.db2.gz KWMPFWARSJDPQN-JKSUJKDBSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354611 175022157 /nfs/dbraw/zinc/02/21/57/175022157.db2.gz JKNUKXUQSPEBJU-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354611 175022159 /nfs/dbraw/zinc/02/21/59/175022159.db2.gz JKNUKXUQSPEBJU-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])c1ccncc1 ZINC000043354726 175022484 /nfs/dbraw/zinc/02/24/84/175022484.db2.gz XBVKTZDHDZVQSK-OAHLLOKOSA-N 2 2 265.401 2.218 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])c1ccncc1 ZINC000043354726 175022485 /nfs/dbraw/zinc/02/24/85/175022485.db2.gz XBVKTZDHDZVQSK-OAHLLOKOSA-N 2 2 265.401 2.218 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)[C@@H]2CCSC2)o1 ZINC000043364093 175024661 /nfs/dbraw/zinc/02/46/61/175024661.db2.gz QTPMFVAMHOSKCS-LOWVWBTDSA-N 2 2 254.399 2.414 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)[C@@H]2CCSC2)o1 ZINC000043364093 175024662 /nfs/dbraw/zinc/02/46/62/175024662.db2.gz QTPMFVAMHOSKCS-LOWVWBTDSA-N 2 2 254.399 2.414 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+]1CCCC[C@@H]1CO ZINC000043364604 175025652 /nfs/dbraw/zinc/02/56/52/175025652.db2.gz AXYMCMYNCZYNJJ-IPYPFGDCSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+]1CCCC[C@@H]1CO ZINC000043364604 175025654 /nfs/dbraw/zinc/02/56/54/175025654.db2.gz AXYMCMYNCZYNJJ-IPYPFGDCSA-N 2 2 266.385 2.213 10 0 CEAELP CCCC[N@H+](CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364869 175025856 /nfs/dbraw/zinc/02/58/56/175025856.db2.gz UEAXFYIMSKYFDB-OCCSQVGLSA-N 2 2 254.374 2.071 10 0 CEAELP CCCC[N@@H+](CCO)[C@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043364869 175025858 /nfs/dbraw/zinc/02/58/58/175025858.db2.gz UEAXFYIMSKYFDB-OCCSQVGLSA-N 2 2 254.374 2.071 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](CCO)C2CCCC2)o1 ZINC000043365202 175026650 /nfs/dbraw/zinc/02/66/50/175026650.db2.gz JREATOBTYMGGAC-SWLSCSKDSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CCCC2)o1 ZINC000043365202 175026651 /nfs/dbraw/zinc/02/66/51/175026651.db2.gz JREATOBTYMGGAC-SWLSCSKDSA-N 2 2 266.385 2.213 10 0 CEAELP CCOc1ccc([C@H](C)[NH2+]C)cc1C[NH+]1CCOCC1 ZINC000043808199 175108973 /nfs/dbraw/zinc/10/89/73/175108973.db2.gz JNAZKNYUXHWGEZ-ZDUSSCGKSA-N 2 2 278.396 2.198 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895591 175119193 /nfs/dbraw/zinc/11/91/93/175119193.db2.gz GZEKPLFGVMRXFH-ZNMIVQPWSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895591 175119194 /nfs/dbraw/zinc/11/91/94/175119194.db2.gz GZEKPLFGVMRXFH-ZNMIVQPWSA-N 2 2 284.444 2.236 10 0 CEAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@H+](C)CCOC)cc1 ZINC000043915624 175124927 /nfs/dbraw/zinc/12/49/27/175124927.db2.gz FYFUWXUQQLRHSK-BBRMVZONSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@@H]([NH2+]C)[C@H](C)[N@@H+](C)CCOC)cc1 ZINC000043915624 175124928 /nfs/dbraw/zinc/12/49/28/175124928.db2.gz FYFUWXUQQLRHSK-BBRMVZONSA-N 2 2 264.413 2.476 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965767 175126946 /nfs/dbraw/zinc/12/69/46/175126946.db2.gz PWRBYDVJNCEWNN-CWRNSKLLSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965767 175126948 /nfs/dbraw/zinc/12/69/48/175126948.db2.gz PWRBYDVJNCEWNN-CWRNSKLLSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965765 175127294 /nfs/dbraw/zinc/12/72/94/175127294.db2.gz PWRBYDVJNCEWNN-KBMXLJTQSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965765 175127296 /nfs/dbraw/zinc/12/72/96/175127296.db2.gz PWRBYDVJNCEWNN-KBMXLJTQSA-N 2 2 262.397 2.446 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966618 175127785 /nfs/dbraw/zinc/12/77/85/175127785.db2.gz MYUKNXOYDIBYJM-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966618 175127786 /nfs/dbraw/zinc/12/77/86/175127786.db2.gz MYUKNXOYDIBYJM-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969613 175130241 /nfs/dbraw/zinc/13/02/41/175130241.db2.gz SKGFLPCKFQMCRY-XJKSGUPXSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969613 175130242 /nfs/dbraw/zinc/13/02/42/175130242.db2.gz SKGFLPCKFQMCRY-XJKSGUPXSA-N 2 2 262.397 2.446 10 0 CEAELP Cc1nc2sccn2c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000045106123 175307544 /nfs/dbraw/zinc/30/75/44/175307544.db2.gz RGLDSHWQFKPWAD-UHFFFAOYSA-N 2 2 289.408 2.471 10 0 CEAELP CC[NH2+][C@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378250 175367444 /nfs/dbraw/zinc/36/74/44/175367444.db2.gz RQYSTSKBHWDZME-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP [NH3+]CCNc1nc(CCc2ccccc2)[nH+]c2c1CCC2 ZINC000057328604 175592251 /nfs/dbraw/zinc/59/22/51/175592251.db2.gz FZZHFQHEZQABLO-UHFFFAOYSA-N 2 2 282.391 2.121 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3n2C)C1 ZINC000071142281 176039907 /nfs/dbraw/zinc/03/99/07/176039907.db2.gz KNYNXZLOXAXESK-QWHCGFSZSA-N 2 2 272.396 2.176 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C)C1 ZINC000071142281 176039908 /nfs/dbraw/zinc/03/99/08/176039908.db2.gz KNYNXZLOXAXESK-QWHCGFSZSA-N 2 2 272.396 2.176 10 0 CEAELP CC[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@@H]2CC)CCO1 ZINC000071161647 176046648 /nfs/dbraw/zinc/04/66/48/176046648.db2.gz VANLBCDIKUWURE-RRFJBIMHSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@@H]2CC)CCO1 ZINC000071161647 176046650 /nfs/dbraw/zinc/04/66/50/176046650.db2.gz VANLBCDIKUWURE-RRFJBIMHSA-N 2 2 254.418 2.395 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N[C@H](CO)Cc2ccccc2)[nH+]1 ZINC000071187520 176060487 /nfs/dbraw/zinc/06/04/87/176060487.db2.gz MQDUHFJBINIZPM-HNNXBMFYSA-N 2 2 285.391 2.173 10 0 CEAELP C[N@@H+](Cc1ccc(N)cc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000071188151 176062633 /nfs/dbraw/zinc/06/26/33/176062633.db2.gz SLZXKBJWFNKEKI-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[N@H+](Cc1ccc(N)cc1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000071188151 176062634 /nfs/dbraw/zinc/06/26/34/176062634.db2.gz SLZXKBJWFNKEKI-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1ccc(N)cc1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000071188151 176062635 /nfs/dbraw/zinc/06/26/35/176062635.db2.gz SLZXKBJWFNKEKI-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1ccc(N)cc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000071188151 176062636 /nfs/dbraw/zinc/06/26/36/176062636.db2.gz SLZXKBJWFNKEKI-LLVKDONJSA-N 2 2 267.804 2.306 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191426 176070540 /nfs/dbraw/zinc/07/05/40/176070540.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191426 176070541 /nfs/dbraw/zinc/07/05/41/176070541.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191426 176070542 /nfs/dbraw/zinc/07/05/42/176070542.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191426 176070543 /nfs/dbraw/zinc/07/05/43/176070543.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191438 176070630 /nfs/dbraw/zinc/07/06/30/176070630.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191438 176070632 /nfs/dbraw/zinc/07/06/32/176070632.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191438 176070633 /nfs/dbraw/zinc/07/06/33/176070633.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191438 176070635 /nfs/dbraw/zinc/07/06/35/176070635.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP Cc1oc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176071002 /nfs/dbraw/zinc/07/10/02/176071002.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176071004 /nfs/dbraw/zinc/07/10/04/176071004.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176071006 /nfs/dbraw/zinc/07/10/06/176071006.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176071008 /nfs/dbraw/zinc/07/10/08/176071008.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 3 2 291.439 2.224 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192070 176073618 /nfs/dbraw/zinc/07/36/18/176073618.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192070 176073619 /nfs/dbraw/zinc/07/36/19/176073619.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192070 176073620 /nfs/dbraw/zinc/07/36/20/176073620.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192070 176073622 /nfs/dbraw/zinc/07/36/22/176073622.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 3 2 279.428 2.081 10 0 CEAELP COc1ccc([C@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309351 176116948 /nfs/dbraw/zinc/11/69/48/176116948.db2.gz GBXBKMGJDCKRGR-WCQYABFASA-N 2 2 264.369 2.059 10 0 CEAELP COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309351 176116949 /nfs/dbraw/zinc/11/69/49/176116949.db2.gz GBXBKMGJDCKRGR-WCQYABFASA-N 2 2 264.369 2.059 10 0 CEAELP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N(C)Cc1[nH+]ccn1C ZINC000079625774 177528746 /nfs/dbraw/zinc/52/87/46/177528746.db2.gz NVGKMOBNNAJZNO-CHWSQXEVSA-N 2 2 264.417 2.019 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[C@@H](C)C[C@@H]3C[NH3+])cn2c1 ZINC000235363267 278900010 /nfs/dbraw/zinc/90/00/10/278900010.db2.gz NWMCVBZWBGMZSE-IUODEOHRSA-N 2 2 272.396 2.202 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000249457104 280398030 /nfs/dbraw/zinc/39/80/30/280398030.db2.gz DQLDDAHMVPQZLN-UONOGXRCSA-N 2 2 265.401 2.365 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000249457104 280398031 /nfs/dbraw/zinc/39/80/31/280398031.db2.gz DQLDDAHMVPQZLN-UONOGXRCSA-N 2 2 265.401 2.365 10 0 CEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC000038042953 281241782 /nfs/dbraw/zinc/24/17/82/281241782.db2.gz REKLZVFXZBHDGD-MRXNPFEDSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC000038042953 281241784 /nfs/dbraw/zinc/24/17/84/281241784.db2.gz REKLZVFXZBHDGD-MRXNPFEDSA-N 2 2 287.407 2.150 10 0 CEAELP Nc1ncccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077436508 327132486 /nfs/dbraw/zinc/13/24/86/327132486.db2.gz GXCVTCVXBWSZIG-HNNXBMFYSA-N 2 2 288.439 2.362 10 0 CEAELP Nc1ncccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000077436508 327132487 /nfs/dbraw/zinc/13/24/87/327132487.db2.gz GXCVTCVXBWSZIG-HNNXBMFYSA-N 2 2 288.439 2.362 10 0 CEAELP CC[NH2+][C@](C)(C[C@@H](C)n1cc[nH+]c1CC)C(=O)OCC ZINC000068649472 520238635 /nfs/dbraw/zinc/23/86/35/520238635.db2.gz AJRFGZSKAVCGFS-IUODEOHRSA-N 2 2 281.400 2.328 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380296 519727734 /nfs/dbraw/zinc/72/77/34/519727734.db2.gz ZMOWKYPVMLYMJN-STQMWFEESA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CC1(O)CCCCCC1 ZINC000049204480 519793616 /nfs/dbraw/zinc/79/36/16/519793616.db2.gz QEPRVTSEAUXJIK-CQSZACIVSA-N 2 2 256.434 2.248 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCOCC2(C)C)C1 ZINC000054555361 519803335 /nfs/dbraw/zinc/80/33/35/519803335.db2.gz FFBAIPJOJCSFQS-HZSPNIEDSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCOCC2(C)C)C1 ZINC000054555361 519803336 /nfs/dbraw/zinc/80/33/36/519803336.db2.gz FFBAIPJOJCSFQS-HZSPNIEDSA-N 2 2 254.418 2.249 10 0 CEAELP CCCC1CC[NH+]([C@@H](c2cnn(C)c2)[C@@H](C)[NH3+])CC1 ZINC000050892924 519903604 /nfs/dbraw/zinc/90/36/04/519903604.db2.gz GLYNIGYNFLMTLH-IUODEOHRSA-N 2 2 264.417 2.321 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC000054602707 519910036 /nfs/dbraw/zinc/91/00/36/519910036.db2.gz GEHFZCQZQSATPK-ALOPSCKCSA-N 3 2 279.472 2.323 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC[NH+](C)CC1 ZINC000054602707 519910038 /nfs/dbraw/zinc/91/00/38/519910038.db2.gz GEHFZCQZQSATPK-ALOPSCKCSA-N 3 2 279.472 2.323 10 0 CEAELP CC[NH2+]Cc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419936 520007104 /nfs/dbraw/zinc/00/71/04/520007104.db2.gz HNYKSOPZYMSREE-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419936 520007109 /nfs/dbraw/zinc/00/71/09/520007109.db2.gz HNYKSOPZYMSREE-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540170 520011111 /nfs/dbraw/zinc/01/11/11/520011111.db2.gz GJXOIMIKOUTNGH-UONOGXRCSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540170 520011115 /nfs/dbraw/zinc/01/11/15/520011115.db2.gz GJXOIMIKOUTNGH-UONOGXRCSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000052540409 520027650 /nfs/dbraw/zinc/02/76/50/520027650.db2.gz NYTGAWJXQZUALD-GJZGRUSLSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1C ZINC000052540409 520027660 /nfs/dbraw/zinc/02/76/60/520027660.db2.gz NYTGAWJXQZUALD-GJZGRUSLSA-N 2 2 278.396 2.451 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)C(=O)OC ZINC000068650048 520044319 /nfs/dbraw/zinc/04/43/19/520044319.db2.gz GRGIZDGEALUWFT-ABAIWWIYSA-N 2 2 281.400 2.382 10 0 CEAELP CC[NH2+][C@@](C)(C[C@@H](C)n1cc[nH+]c1CC)C(=O)OCC ZINC000068649466 520141347 /nfs/dbraw/zinc/14/13/47/520141347.db2.gz AJRFGZSKAVCGFS-DOMZBBRYSA-N 2 2 281.400 2.328 10 0 CEAELP CC[NH2+][C@H](C)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061270925 520169457 /nfs/dbraw/zinc/16/94/57/520169457.db2.gz UNTFMOIBMVJAFY-LLVKDONJSA-N 2 2 272.352 2.403 10 0 CEAELP CC1(C)C[N@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1[NH3+] ZINC000261852328 520475200 /nfs/dbraw/zinc/47/52/00/520475200.db2.gz WWWUQWMWTSPIGR-AWEZNQCLSA-N 2 2 275.352 2.494 10 0 CEAELP CC1(C)C[N@@H+](Cc2cc(-c3ccco3)on2)CC[C@@H]1[NH3+] ZINC000261852328 520475209 /nfs/dbraw/zinc/47/52/09/520475209.db2.gz WWWUQWMWTSPIGR-AWEZNQCLSA-N 2 2 275.352 2.494 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197573 521585430 /nfs/dbraw/zinc/58/54/30/521585430.db2.gz OKAUTXVAPSOQSL-GDBMZVCRSA-N 3 2 269.477 2.283 10 0 CEAELP COc1c(C)c[nH+]c(C[C@H]([NH3+])C[C@H]2CCCO2)c1C ZINC000053817766 521815092 /nfs/dbraw/zinc/81/50/92/521815092.db2.gz AKMBWXZUQDFRFA-CHWSQXEVSA-N 2 2 264.369 2.146 10 0 CEAELP CC[C@@H](C)[NH+]1CCN(Cc2[nH]c3ccc(N)cc3[nH+]2)CC1 ZINC000055063492 522125750 /nfs/dbraw/zinc/12/57/50/522125750.db2.gz IBWVWKRPCQFTEW-GFCCVEGCSA-N 2 2 287.411 2.061 10 0 CEAELP C[NH2+][C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516472 522514555 /nfs/dbraw/zinc/51/45/55/522514555.db2.gz LTRGYRXCISQILO-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP C[NH2+][C@](C)(CCCC[N@H+]1CCCC(C)(C)C1)C(=O)OC ZINC000069516472 522514566 /nfs/dbraw/zinc/51/45/66/522514566.db2.gz LTRGYRXCISQILO-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP C[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710235 522633155 /nfs/dbraw/zinc/63/31/55/522633155.db2.gz CETZPVVJENVNDD-LBPRGKRZSA-N 2 2 258.287 2.446 10 0 CEAELP C[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710235 522633165 /nfs/dbraw/zinc/63/31/65/522633165.db2.gz CETZPVVJENVNDD-LBPRGKRZSA-N 2 2 258.287 2.446 10 0 CEAELP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1CC ZINC000374210178 523316441 /nfs/dbraw/zinc/31/64/41/523316441.db2.gz TYWKVTUPERMVMB-GJZGRUSLSA-N 2 2 276.428 2.352 10 0 CEAELP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1CC ZINC000374210178 523316450 /nfs/dbraw/zinc/31/64/50/523316450.db2.gz TYWKVTUPERMVMB-GJZGRUSLSA-N 2 2 276.428 2.352 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc2c1OCO2 ZINC000052205798 523792890 /nfs/dbraw/zinc/79/28/90/523792890.db2.gz BJLNBMLXCXVNGR-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]Cc1cccc2c1OCO2 ZINC000052205798 523792896 /nfs/dbraw/zinc/79/28/96/523792896.db2.gz BJLNBMLXCXVNGR-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000049557738 524162620 /nfs/dbraw/zinc/16/26/20/524162620.db2.gz FPWMFIGWDUWJLM-LLVKDONJSA-N 2 2 283.803 2.208 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621146 524654848 /nfs/dbraw/zinc/65/48/48/524654848.db2.gz ZZLQFZDRJXYHAA-WBMJQRKESA-N 2 2 281.444 2.026 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCC1 ZINC000068621146 524654860 /nfs/dbraw/zinc/65/48/60/524654860.db2.gz ZZLQFZDRJXYHAA-WBMJQRKESA-N 2 2 281.444 2.026 10 0 CEAELP Cc1cc(C[N@@H+]2CCOCC2(C)C)oc1C[NH2+]C1CC1 ZINC000052546249 524700314 /nfs/dbraw/zinc/70/03/14/524700314.db2.gz KGHAWIDZSDUFFA-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP Cc1cc(C[N@H+]2CCOCC2(C)C)oc1C[NH2+]C1CC1 ZINC000052546249 524700323 /nfs/dbraw/zinc/70/03/23/524700323.db2.gz KGHAWIDZSDUFFA-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP Cc1cc(C[N@@H+]2CCOC[C@H]2C)oc1C[NH2+]C(C)C ZINC000052476173 524700623 /nfs/dbraw/zinc/70/06/23/524700623.db2.gz CYCJEXGPHLNWSU-CYBMUJFWSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1cc(C[N@H+]2CCOC[C@H]2C)oc1C[NH2+]C(C)C ZINC000052476173 524700629 /nfs/dbraw/zinc/70/06/29/524700629.db2.gz CYCJEXGPHLNWSU-CYBMUJFWSA-N 2 2 266.385 2.307 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757563 524853518 /nfs/dbraw/zinc/85/35/18/524853518.db2.gz KKEKCGQFNWENQI-APHBMKBZSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757563 524853531 /nfs/dbraw/zinc/85/35/31/524853531.db2.gz KKEKCGQFNWENQI-APHBMKBZSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H](C[C@](C)([NH3+])C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648173 524859424 /nfs/dbraw/zinc/85/94/24/524859424.db2.gz QTUVMKMWVRQRFA-XEZPLFJOSA-N 2 2 283.460 2.116 10 0 CEAELP C[C@@H](C[C@](C)([NH3+])C(N)=O)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648173 524859431 /nfs/dbraw/zinc/85/94/31/524859431.db2.gz QTUVMKMWVRQRFA-XEZPLFJOSA-N 2 2 283.460 2.116 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000050596611 525180242 /nfs/dbraw/zinc/18/02/42/525180242.db2.gz FMVNCRDITIMDHQ-ZIAGYGMSSA-N 2 2 280.437 2.441 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1C ZINC000050596611 525180249 /nfs/dbraw/zinc/18/02/49/525180249.db2.gz FMVNCRDITIMDHQ-ZIAGYGMSSA-N 2 2 280.437 2.441 10 0 CEAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[NH+]1CCOCC1 ZINC000052377978 526775030 /nfs/dbraw/zinc/77/50/30/526775030.db2.gz IDVKQHOBHYVVCM-UHFFFAOYSA-N 2 2 266.385 2.308 10 0 CEAELP NC(=O)[C@H](CC[NH+]1CCC2(CCCCC2)CC1)[NH2+]C1CC1 ZINC000062532839 526993087 /nfs/dbraw/zinc/99/30/87/526993087.db2.gz YVYKUXJGSOOMMT-HNNXBMFYSA-N 2 2 293.455 2.029 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(OC(F)(F)F)cc1 ZINC000052304156 527198498 /nfs/dbraw/zinc/19/84/98/527198498.db2.gz MIYJVPCQRVDZKF-UHFFFAOYSA-N 2 2 285.269 2.331 10 0 CEAELP [NH3+]C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757558 527207830 /nfs/dbraw/zinc/20/78/30/527207830.db2.gz PVGYVGXZGSTLNG-CABCVRRESA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757558 527207832 /nfs/dbraw/zinc/20/78/32/527207832.db2.gz PVGYVGXZGSTLNG-CABCVRRESA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@H](c1cc2ccccc2o1)N1CCn2cc[nH+]c2C1 ZINC000068811982 527230304 /nfs/dbraw/zinc/23/03/04/527230304.db2.gz XRRGSOTTXZBQKL-CYBMUJFWSA-N 2 2 282.347 2.145 10 0 CEAELP [NH3+]Cc1cc(Cn2cc[nH+]c2-c2ccccc2)ccn1 ZINC000068751009 527249066 /nfs/dbraw/zinc/24/90/66/527249066.db2.gz CMOOCRZSQJBVRT-UHFFFAOYSA-N 2 2 264.332 2.452 10 0 CEAELP Cc1ncc(C[NH2+]C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538892 527270170 /nfs/dbraw/zinc/27/01/70/527270170.db2.gz YWAGBLRRUAMIKH-OBJOEFQTSA-N 2 2 265.426 2.462 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1ncc(Cl)c1C ZINC000156758144 639388949 /nfs/dbraw/zinc/38/89/49/639388949.db2.gz WVHDPCIBZIVBSQ-ZDUSSCGKSA-N 2 2 293.802 2.472 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ncc(Cl)c1C ZINC000156758144 639388951 /nfs/dbraw/zinc/38/89/51/639388951.db2.gz WVHDPCIBZIVBSQ-ZDUSSCGKSA-N 2 2 293.802 2.472 10 0 CEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129106552 651805729 /nfs/dbraw/zinc/80/57/29/651805729.db2.gz AIYKVXQDVPTBRQ-ZIAGYGMSSA-N 3 2 264.417 2.030 10 0 CEAELP COc1ccccc1CC[C@H](C[NH3+])c1[nH+]ccn1C ZINC000082296268 177950362 /nfs/dbraw/zinc/95/03/62/177950362.db2.gz OURFDBPZIQUTCB-CYBMUJFWSA-N 2 2 259.353 2.104 10 0 CEAELP Oc1cccc2c1CC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000036852646 361864614 /nfs/dbraw/zinc/86/46/14/361864614.db2.gz SYPZMYJEXMKSIG-CQSZACIVSA-N 2 2 257.337 2.256 10 0 CEAELP C[NH+](C)CC(C[NH3+])(c1ccccc1)c1ccccc1 ZINC000001641464 343351756 /nfs/dbraw/zinc/35/17/56/343351756.db2.gz ZHFLJXSRKYCDSA-UHFFFAOYSA-N 2 2 254.377 2.493 10 0 CEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000028711012 343397995 /nfs/dbraw/zinc/39/79/95/343397995.db2.gz SOYFXGWMZNSNJQ-GOSISDBHSA-N 2 2 284.403 2.269 10 0 CEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000028711012 343397997 /nfs/dbraw/zinc/39/79/97/343397997.db2.gz SOYFXGWMZNSNJQ-GOSISDBHSA-N 2 2 284.403 2.269 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439672 344374359 /nfs/dbraw/zinc/37/43/59/344374359.db2.gz RUYJPVZLXKYQRA-INIZCTEOSA-N 2 2 276.424 2.422 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000134439672 344374360 /nfs/dbraw/zinc/37/43/60/344374360.db2.gz RUYJPVZLXKYQRA-INIZCTEOSA-N 2 2 276.424 2.422 10 0 CEAELP [NH3+]C1(CC[NH+]2CCN(c3nccs3)CC2)CCCCC1 ZINC000084187957 178820764 /nfs/dbraw/zinc/82/07/64/178820764.db2.gz IBRUKEGWKQNFHO-UHFFFAOYSA-N 2 2 294.468 2.317 10 0 CEAELP CCn1cc[nH+]c1C[C@@H]([NH3+])[C@@H]1Cc2ccccc2S1 ZINC000097304485 185581352 /nfs/dbraw/zinc/58/13/52/185581352.db2.gz JXCLCJZCLMANFU-OCCSQVGLSA-N 2 2 273.405 2.490 10 0 CEAELP CC[N@H+](CC[C@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303895 179011351 /nfs/dbraw/zinc/01/13/51/179011351.db2.gz BCHOSLJNNPLPQN-AWEZNQCLSA-N 2 2 258.365 2.376 10 0 CEAELP CC[N@@H+](CC[C@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303895 179011352 /nfs/dbraw/zinc/01/13/52/179011352.db2.gz BCHOSLJNNPLPQN-AWEZNQCLSA-N 2 2 258.365 2.376 10 0 CEAELP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085454508 179067773 /nfs/dbraw/zinc/06/77/73/179067773.db2.gz NVMNQRVSHBBHGI-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085454508 179067774 /nfs/dbraw/zinc/06/77/74/179067774.db2.gz NVMNQRVSHBBHGI-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP CC1(C)C[N@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085471471 179076374 /nfs/dbraw/zinc/07/63/74/179076374.db2.gz HRRBSRFZEKVEEI-UHFFFAOYSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[N@@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085471471 179076376 /nfs/dbraw/zinc/07/63/76/179076376.db2.gz HRRBSRFZEKVEEI-UHFFFAOYSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515874 179087804 /nfs/dbraw/zinc/08/78/04/179087804.db2.gz JHGCRZWZMPZYNG-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC12CCCC2 ZINC000085515874 179087806 /nfs/dbraw/zinc/08/78/06/179087806.db2.gz JHGCRZWZMPZYNG-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCOC ZINC000085497901 179083103 /nfs/dbraw/zinc/08/31/03/179083103.db2.gz KKXPXXCSJSHKQB-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CCC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCOC ZINC000085497901 179083104 /nfs/dbraw/zinc/08/31/04/179083104.db2.gz KKXPXXCSJSHKQB-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626525 179106732 /nfs/dbraw/zinc/10/67/32/179106732.db2.gz HFLITRMRVOMXIZ-WFASDCNBSA-N 2 2 275.396 2.053 10 0 CEAELP COc1cccc(C[N@H+]2C[C@@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626525 179106734 /nfs/dbraw/zinc/10/67/34/179106734.db2.gz HFLITRMRVOMXIZ-WFASDCNBSA-N 2 2 275.396 2.053 10 0 CEAELP CC(C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000085608548 179101015 /nfs/dbraw/zinc/10/10/15/179101015.db2.gz OKOSEBAWRMNYNJ-OAHLLOKOSA-N 2 2 272.396 2.154 10 0 CEAELP CCC1(CC)C[N@H+](CCn2cc[nH+]c2C)[C@H](C)CC[NH2+]1 ZINC000085627891 179107472 /nfs/dbraw/zinc/10/74/72/179107472.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 3 2 278.444 2.434 10 0 CEAELP CCC1(CC)C[N@@H+](CCn2cc[nH+]c2C)[C@H](C)CC[NH2+]1 ZINC000085627891 179107473 /nfs/dbraw/zinc/10/74/73/179107473.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 3 2 278.444 2.434 10 0 CEAELP C[NH2+][C@@H](Cc1cc(F)ccc1Br)C[NH+](C)C ZINC000085798778 179172704 /nfs/dbraw/zinc/17/27/04/179172704.db2.gz ZMACMTGFWKDLCT-NSHDSACASA-N 2 2 289.192 2.280 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000085798111 179173130 /nfs/dbraw/zinc/17/31/30/179173130.db2.gz PUAIQSHZQRPOGN-JTQLQIEISA-N 2 2 275.165 2.020 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(Br)s1)C[NH+](C)C ZINC000085798880 179173243 /nfs/dbraw/zinc/17/32/43/179173243.db2.gz WTYJTPDIBNDZJP-QMMMGPOBSA-N 2 2 277.231 2.203 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCCOC ZINC000086259462 179258055 /nfs/dbraw/zinc/25/80/55/179258055.db2.gz WQXXRHLZHDMJGB-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCCOC ZINC000086259462 179258057 /nfs/dbraw/zinc/25/80/57/179258057.db2.gz WQXXRHLZHDMJGB-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260105 179259026 /nfs/dbraw/zinc/25/90/26/179259026.db2.gz GKCJUYNKQBWTBF-CABCVRRESA-N 2 2 266.429 2.410 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260105 179259027 /nfs/dbraw/zinc/25/90/27/179259027.db2.gz GKCJUYNKQBWTBF-CABCVRRESA-N 2 2 266.429 2.410 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260145 179259161 /nfs/dbraw/zinc/25/91/61/179259161.db2.gz YOEYITRWDPRGNR-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260145 179259162 /nfs/dbraw/zinc/25/91/62/179259162.db2.gz YOEYITRWDPRGNR-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP CC(C)[N@@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317397 179270290 /nfs/dbraw/zinc/27/02/90/179270290.db2.gz PNGPSQHCZIPTGK-SJORKVTESA-N 2 2 285.391 2.344 10 0 CEAELP CC(C)[N@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317397 179270291 /nfs/dbraw/zinc/27/02/91/179270291.db2.gz PNGPSQHCZIPTGK-SJORKVTESA-N 2 2 285.391 2.344 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@](C)(CC)C2)CC1 ZINC000086291508 179266755 /nfs/dbraw/zinc/26/67/55/179266755.db2.gz NKXVEQJGQYOFIS-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@](C)(CC)C2)CC1 ZINC000086291508 179266757 /nfs/dbraw/zinc/26/67/57/179266757.db2.gz NKXVEQJGQYOFIS-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CC(C)[C@H]1C[N@@H+]([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299089 179268881 /nfs/dbraw/zinc/26/88/81/179268881.db2.gz SICWRMOQLNHHGD-HUUCEWRRSA-N 2 2 260.381 2.440 10 0 CEAELP CC(C)[C@H]1C[N@H+]([C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000086299089 179268882 /nfs/dbraw/zinc/26/88/82/179268882.db2.gz SICWRMOQLNHHGD-HUUCEWRRSA-N 2 2 260.381 2.440 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccccc1)[C@@H]1C[N@H+](CC)CCO1 ZINC000086654269 179316544 /nfs/dbraw/zinc/31/65/44/179316544.db2.gz OJIVXIHFRVVDPP-IRXDYDNUSA-N 2 2 276.424 2.318 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccccc1)[C@@H]1C[N@@H+](CC)CCO1 ZINC000086654269 179316545 /nfs/dbraw/zinc/31/65/45/179316545.db2.gz OJIVXIHFRVVDPP-IRXDYDNUSA-N 2 2 276.424 2.318 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000086655226 179316554 /nfs/dbraw/zinc/31/65/54/179316554.db2.gz QWLJQNJLESQNFE-DLBZAZTESA-N 2 2 276.424 2.316 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000086655226 179316556 /nfs/dbraw/zinc/31/65/56/179316556.db2.gz QWLJQNJLESQNFE-DLBZAZTESA-N 2 2 276.424 2.316 10 0 CEAELP CCC[N@@H+]1CCO[C@@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654744 179316618 /nfs/dbraw/zinc/31/66/18/179316618.db2.gz YXYSMUCYHHCKTE-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP CCC[N@H+]1CCO[C@@H]([C@@H](Cc2ccccc2)[NH2+]CC)C1 ZINC000086654744 179316619 /nfs/dbraw/zinc/31/66/19/179316619.db2.gz YXYSMUCYHHCKTE-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP C[C@H]1CCC[C@@]1(C[NH3+])[N@@H+]1CCOc2ccccc2C1 ZINC000086677258 179319038 /nfs/dbraw/zinc/31/90/38/179319038.db2.gz QFFQRUVLQIRTLU-BBRMVZONSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@H]1CCC[C@@]1(C[NH3+])[N@H+]1CCOc2ccccc2C1 ZINC000086677258 179319040 /nfs/dbraw/zinc/31/90/40/179319040.db2.gz QFFQRUVLQIRTLU-BBRMVZONSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])(OCCCn2cc[nH+]c2)C1 ZINC000086713018 179322989 /nfs/dbraw/zinc/32/29/89/179322989.db2.gz CONJNJPIQOJOQM-KBPBESRZSA-N 2 2 251.374 2.197 10 0 CEAELP CCc1cc(NCc2ccc(C[NH3+])cc2F)nc[nH+]1 ZINC000103958452 185868055 /nfs/dbraw/zinc/86/80/55/185868055.db2.gz IGZZRQCFOWKCRH-UHFFFAOYSA-N 2 2 260.316 2.249 10 0 CEAELP C[N@@H+]1CCC[C@@](C[NH3+])([NH+]2CCCc3ccccc3C2)CC1 ZINC000086819590 179348572 /nfs/dbraw/zinc/34/85/72/179348572.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 3 2 287.451 2.248 10 0 CEAELP C[N@H+]1CCC[C@@](C[NH3+])([NH+]2CCCc3ccccc3C2)CC1 ZINC000086819590 179348574 /nfs/dbraw/zinc/34/85/74/179348574.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 3 2 287.451 2.248 10 0 CEAELP C[NH+]1CCC[C@@](C[NH3+])([N@@H+]2CCCc3ccccc3C2)CC1 ZINC000086819590 179348576 /nfs/dbraw/zinc/34/85/76/179348576.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 3 2 287.451 2.248 10 0 CEAELP C[NH+]1CCC[C@@](C[NH3+])([N@H+]2CCCc3ccccc3C2)CC1 ZINC000086819590 179348578 /nfs/dbraw/zinc/34/85/78/179348578.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 3 2 287.451 2.248 10 0 CEAELP CC[NH2+][C@]1(c2nc(C)cs2)CCC[N@H+](C)CC1 ZINC000086833659 179350405 /nfs/dbraw/zinc/35/04/05/179350405.db2.gz UOHVRMQCHOBFPB-CYBMUJFWSA-N 2 2 253.415 2.372 10 0 CEAELP CC[NH2+][C@]1(c2nc(C)cs2)CCC[N@@H+](C)CC1 ZINC000086833659 179350407 /nfs/dbraw/zinc/35/04/07/179350407.db2.gz UOHVRMQCHOBFPB-CYBMUJFWSA-N 2 2 253.415 2.372 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836663 179351521 /nfs/dbraw/zinc/35/15/21/179351521.db2.gz BCPHVCUNPDVSDE-CVEARBPZSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836663 179351523 /nfs/dbraw/zinc/35/15/23/179351523.db2.gz BCPHVCUNPDVSDE-CVEARBPZSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836300 179351945 /nfs/dbraw/zinc/35/19/45/179351945.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836300 179351947 /nfs/dbraw/zinc/35/19/47/179351947.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C)on2)CC1 ZINC000086843486 179353426 /nfs/dbraw/zinc/35/34/26/179353426.db2.gz LESRZPJHWCSXNO-CYBMUJFWSA-N 2 2 251.374 2.337 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C)on2)CC1 ZINC000086843486 179353427 /nfs/dbraw/zinc/35/34/27/179353427.db2.gz LESRZPJHWCSXNO-CYBMUJFWSA-N 2 2 251.374 2.337 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842026 179353625 /nfs/dbraw/zinc/35/36/25/179353625.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842026 179353627 /nfs/dbraw/zinc/35/36/27/179353627.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842023 179353848 /nfs/dbraw/zinc/35/38/48/179353848.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842023 179353850 /nfs/dbraw/zinc/35/38/50/179353850.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991902 179375372 /nfs/dbraw/zinc/37/53/72/179375372.db2.gz KZTANVDHXVQOSF-HNNXBMFYSA-N 2 2 298.402 2.439 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086991902 179375374 /nfs/dbraw/zinc/37/53/74/179375374.db2.gz KZTANVDHXVQOSF-HNNXBMFYSA-N 2 2 298.402 2.439 10 0 CEAELP CCC1CCC(O)(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000087065986 179390283 /nfs/dbraw/zinc/39/02/83/179390283.db2.gz SGFDHJACTRFMFG-UHFFFAOYSA-N 2 2 265.401 2.194 10 0 CEAELP c1cn([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616662958 348553982 /nfs/dbraw/zinc/55/39/82/348553982.db2.gz MQHFWZDOJZVLKL-OAHLLOKOSA-N 2 2 257.337 2.304 10 0 CEAELP c1cn([C@H]2CC[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616662958 348553984 /nfs/dbraw/zinc/55/39/84/348553984.db2.gz MQHFWZDOJZVLKL-OAHLLOKOSA-N 2 2 257.337 2.304 10 0 CEAELP [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc[nH+]c1N1CCCC1 ZINC000089148327 179723892 /nfs/dbraw/zinc/72/38/92/179723892.db2.gz DBTTXPXMMGBYSF-OLZOCXBDSA-N 2 2 260.385 2.221 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C)OC ZINC000090625190 180015737 /nfs/dbraw/zinc/01/57/37/180015737.db2.gz QUDPDPMZAYOAMR-LBPRGKRZSA-N 2 2 286.441 2.295 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C)OC ZINC000090625190 180015739 /nfs/dbraw/zinc/01/57/39/180015739.db2.gz QUDPDPMZAYOAMR-LBPRGKRZSA-N 2 2 286.441 2.295 10 0 CEAELP CCC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875357 180051095 /nfs/dbraw/zinc/05/10/95/180051095.db2.gz CPTDFBDMZHUYJY-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875357 180051097 /nfs/dbraw/zinc/05/10/97/180051097.db2.gz CPTDFBDMZHUYJY-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019546 180088302 /nfs/dbraw/zinc/08/83/02/180088302.db2.gz LYWOPZFHDSNZIR-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019546 180088305 /nfs/dbraw/zinc/08/83/05/180088305.db2.gz LYWOPZFHDSNZIR-CYBMUJFWSA-N 2 2 258.369 2.137 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)Cc1ccccc1C ZINC000091322719 180134461 /nfs/dbraw/zinc/13/44/61/180134461.db2.gz QNBOERSHTOAVAZ-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1C ZINC000091322719 180134462 /nfs/dbraw/zinc/13/44/62/180134462.db2.gz QNBOERSHTOAVAZ-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CCC1(CC)CC[NH+]([C@@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323543 180134492 /nfs/dbraw/zinc/13/44/92/180134492.db2.gz NURCUALSHHOYNO-OAHLLOKOSA-N 2 2 295.471 2.228 10 0 CEAELP COC[C@H](C)[N@H+](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362523 180141772 /nfs/dbraw/zinc/14/17/72/180141772.db2.gz FDIOMCJIXVOSPL-AJNGGQMLSA-N 2 2 254.418 2.264 10 0 CEAELP COC[C@H](C)[N@@H+](C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362523 180141773 /nfs/dbraw/zinc/14/17/73/180141773.db2.gz FDIOMCJIXVOSPL-AJNGGQMLSA-N 2 2 254.418 2.264 10 0 CEAELP CN(c1ccccc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276154 180119005 /nfs/dbraw/zinc/11/90/05/180119005.db2.gz COPRDCSSBZQJMT-AWEZNQCLSA-N 2 2 256.353 2.354 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N1Cc2ccccc2C1 ZINC000091276506 180119696 /nfs/dbraw/zinc/11/96/96/180119696.db2.gz YSKRLMQRIGPAHE-OAHLLOKOSA-N 2 2 268.364 2.234 10 0 CEAELP c1ncn(C2CC2)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277008 180119922 /nfs/dbraw/zinc/11/99/22/180119922.db2.gz SGFPTHWVGRWDFM-BBRMVZONSA-N 2 2 274.412 2.182 10 0 CEAELP c1ncn(C2CC2)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277008 180119923 /nfs/dbraw/zinc/11/99/23/180119923.db2.gz SGFPTHWVGRWDFM-BBRMVZONSA-N 2 2 274.412 2.182 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091277008 180119925 /nfs/dbraw/zinc/11/99/25/180119925.db2.gz SGFPTHWVGRWDFM-BBRMVZONSA-N 2 2 274.412 2.182 10 0 CEAELP COc1ccc(N[C@H](C[NH3+])c2c[nH+]cn2C2CC2)cc1 ZINC000091276627 180120375 /nfs/dbraw/zinc/12/03/75/180120375.db2.gz QCQGHKUTMDJBJN-CQSZACIVSA-N 2 2 272.352 2.339 10 0 CEAELP CCc1cc(C[C@@H]([NH2+]C)C(C)(C)[NH+]2CCCCC2)n(C)n1 ZINC000091564881 180193603 /nfs/dbraw/zinc/19/36/03/180193603.db2.gz KMWDUGYFJUMHSA-MRXNPFEDSA-N 2 2 292.471 2.378 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](N)c1c[nH+]ccc1N ZINC000091573710 180196292 /nfs/dbraw/zinc/19/62/92/180196292.db2.gz FFUHCZBPPQPTKX-KBPBESRZSA-N 2 2 250.390 2.174 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609539 180205746 /nfs/dbraw/zinc/20/57/46/180205746.db2.gz DSPKWGHGIBZJGK-HOCLYGCPSA-N 2 2 293.459 2.383 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000091611852 180206673 /nfs/dbraw/zinc/20/66/73/180206673.db2.gz NJMUMDIROUTINL-LSDHHAIUSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+][C@H](Cc1cccc(F)c1F)C(C)(C)[NH+](C)C ZINC000091528571 180180328 /nfs/dbraw/zinc/18/03/28/180180328.db2.gz ABBIDLHABARMDE-GFCCVEGCSA-N 2 2 256.340 2.436 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)[NH+](C)C ZINC000091529638 180180807 /nfs/dbraw/zinc/18/08/07/180180807.db2.gz DGAKQZXFIZCHBW-ZDUSSCGKSA-N 2 2 281.448 2.110 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCC1 ZINC000091535717 180182380 /nfs/dbraw/zinc/18/23/80/180182380.db2.gz AQLQOYVZLSRROI-HNNXBMFYSA-N 3 2 276.428 2.059 10 0 CEAELP OC1CC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000091538429 180183160 /nfs/dbraw/zinc/18/31/60/180183160.db2.gz BSQSHVFQZNVRLA-AQFXKWCLSA-N 2 2 274.408 2.012 10 0 CEAELP OC1CC(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000091538429 180183161 /nfs/dbraw/zinc/18/31/61/180183161.db2.gz BSQSHVFQZNVRLA-AQFXKWCLSA-N 2 2 274.408 2.012 10 0 CEAELP CCC(CC)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCC1 ZINC000091634293 180210035 /nfs/dbraw/zinc/21/00/35/180210035.db2.gz OUNIYSMQZCQRGP-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP CC[C@H](C)C[C@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642843 180213882 /nfs/dbraw/zinc/21/38/82/180213882.db2.gz SLBOAXNBOXAJSS-KBPBESRZSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H](C)C[C@@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642844 180214172 /nfs/dbraw/zinc/21/41/72/180214172.db2.gz SLBOAXNBOXAJSS-ZIAGYGMSSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH+](C)C1(C(=O)Cc2ccc[nH+]c2N)CCCCC1 ZINC000091646538 180215509 /nfs/dbraw/zinc/21/55/09/180215509.db2.gz RNAJFTOHSQLZMD-UHFFFAOYSA-N 2 2 261.369 2.040 10 0 CEAELP CCC[NH2+][C@@H](Cc1c(Cl)c(CC)nn1C)C[NH+](C)C ZINC000091719964 180235883 /nfs/dbraw/zinc/23/58/83/180235883.db2.gz XCCVAIICXISREY-NSHDSACASA-N 2 2 286.851 2.108 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721189 180238509 /nfs/dbraw/zinc/23/85/09/180238509.db2.gz HMSNNWDSCFTADV-OWCLPIDISA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721189 180238511 /nfs/dbraw/zinc/23/85/11/180238511.db2.gz HMSNNWDSCFTADV-OWCLPIDISA-N 2 2 260.381 2.119 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091926141 180287580 /nfs/dbraw/zinc/28/75/80/180287580.db2.gz UFQNPNNUHAVIPK-ZDUSSCGKSA-N 2 2 265.401 2.482 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCCCCC1 ZINC000091926272 180287199 /nfs/dbraw/zinc/28/71/99/180287199.db2.gz NLLYEBSTPCFJJY-CYBMUJFWSA-N 2 2 251.374 2.236 10 0 CEAELP [NH3+]C[C@]1([C@H](O)c2c[nH+]cn2C2CC2)CCc2ccccc21 ZINC000091926585 180287410 /nfs/dbraw/zinc/28/74/10/180287410.db2.gz JXEOMERSFGNWPC-IAGOWNOFSA-N 2 2 283.375 2.094 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087519 180321191 /nfs/dbraw/zinc/32/11/91/180321191.db2.gz QLXFLXGCQBSSAH-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)C(=O)OCC ZINC000092087519 180321193 /nfs/dbraw/zinc/32/11/93/180321193.db2.gz QLXFLXGCQBSSAH-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300080 180358880 /nfs/dbraw/zinc/35/88/80/180358880.db2.gz BRTLVWNQDACFBJ-UONOGXRCSA-N 2 2 260.381 2.237 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000092339886 180365242 /nfs/dbraw/zinc/36/52/42/180365242.db2.gz OFECDOITCKPLJE-ZDUSSCGKSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000092339886 180365243 /nfs/dbraw/zinc/36/52/43/180365243.db2.gz OFECDOITCKPLJE-ZDUSSCGKSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1cc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc[nH+]1 ZINC000092349921 180368382 /nfs/dbraw/zinc/36/83/82/180368382.db2.gz ZOBCXVJWNHLHQI-HNNXBMFYSA-N 2 2 255.321 2.203 10 0 CEAELP CCNc1cccc(CN2CC[N@H+](C)C(C)(C)C2)[nH+]1 ZINC000092370828 180369806 /nfs/dbraw/zinc/36/98/06/180369806.db2.gz DJQWINRSCQGNHC-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN2CC[N@@H+](C)C(C)(C)C2)[nH+]1 ZINC000092370828 180369808 /nfs/dbraw/zinc/36/98/08/180369808.db2.gz DJQWINRSCQGNHC-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CC(C)[C@@H](CO)Nc1c(C[NH3+])c[nH+]c2ccccc21 ZINC000092391521 180375284 /nfs/dbraw/zinc/37/52/84/180375284.db2.gz SHHMWZPGOPQOQF-CQSZACIVSA-N 2 2 259.353 2.122 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000092417992 180380746 /nfs/dbraw/zinc/38/07/46/180380746.db2.gz LNEWJVDZNJVZOY-OAHLLOKOSA-N 2 2 263.385 2.250 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000092417992 180380747 /nfs/dbraw/zinc/38/07/47/180380747.db2.gz LNEWJVDZNJVZOY-OAHLLOKOSA-N 2 2 263.385 2.250 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000092417871 180381481 /nfs/dbraw/zinc/38/14/81/180381481.db2.gz DWCDKZDOVZAGRE-CYBMUJFWSA-N 2 2 291.395 2.289 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)c1 ZINC000092417871 180381484 /nfs/dbraw/zinc/38/14/84/180381484.db2.gz DWCDKZDOVZAGRE-CYBMUJFWSA-N 2 2 291.395 2.289 10 0 CEAELP CN(Cc1[nH+]ccn1C)c1cc(C[NH3+])nc2ccccc21 ZINC000109589589 186264568 /nfs/dbraw/zinc/26/45/68/186264568.db2.gz USELQOBXXQCPNG-UHFFFAOYSA-N 2 2 281.363 2.063 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CC1CCCC1)OCCO2 ZINC000110836488 186328172 /nfs/dbraw/zinc/32/81/72/186328172.db2.gz VVEBINKBJYHCRJ-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CC1CCCC1)OCCO2 ZINC000110836488 186328173 /nfs/dbraw/zinc/32/81/73/186328173.db2.gz VVEBINKBJYHCRJ-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP COc1ccc([C@@H](C)[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926521 186333402 /nfs/dbraw/zinc/33/34/02/186333402.db2.gz LHKMOUHQLXKRAE-TZMCWYRMSA-N 2 2 278.396 2.449 10 0 CEAELP COc1ccc([C@@H](C)[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000110926521 186333404 /nfs/dbraw/zinc/33/34/04/186333404.db2.gz LHKMOUHQLXKRAE-TZMCWYRMSA-N 2 2 278.396 2.449 10 0 CEAELP C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931442 186333756 /nfs/dbraw/zinc/33/37/56/186333756.db2.gz AHWKFRYHHCQVMK-LBPRGKRZSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000110931442 186333757 /nfs/dbraw/zinc/33/37/57/186333757.db2.gz AHWKFRYHHCQVMK-LBPRGKRZSA-N 2 2 295.814 2.352 10 0 CEAELP CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936982 186335079 /nfs/dbraw/zinc/33/50/79/186335079.db2.gz PEFCSHFHGDKPMH-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110936982 186335082 /nfs/dbraw/zinc/33/50/82/186335082.db2.gz PEFCSHFHGDKPMH-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154438 186361055 /nfs/dbraw/zinc/36/10/55/186361055.db2.gz XTZUFTNOBKTMCP-YDHLFZDLSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154438 186361056 /nfs/dbraw/zinc/36/10/56/186361056.db2.gz XTZUFTNOBKTMCP-YDHLFZDLSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CC1CCOCC1 ZINC000111156021 186363026 /nfs/dbraw/zinc/36/30/26/186363026.db2.gz NECANTIMDPTNJT-JKSUJKDBSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CC1CCOCC1 ZINC000111156021 186363028 /nfs/dbraw/zinc/36/30/28/186363028.db2.gz NECANTIMDPTNJT-JKSUJKDBSA-N 2 2 277.412 2.218 10 0 CEAELP C[N@H+](Cc1ccccc1F)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320797 186396984 /nfs/dbraw/zinc/39/69/84/186396984.db2.gz KVYQRMVFPJLWFM-HIFRSBDPSA-N 2 2 266.360 2.011 10 0 CEAELP C[N@@H+](Cc1ccccc1F)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320797 186396985 /nfs/dbraw/zinc/39/69/85/186396985.db2.gz KVYQRMVFPJLWFM-HIFRSBDPSA-N 2 2 266.360 2.011 10 0 CEAELP CC(C)[NH2+]C[C@]1(C[N@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325738 186399172 /nfs/dbraw/zinc/39/91/72/186399172.db2.gz MWAJGKIEPZFSEI-KRWDZBQOSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+]C[C@]1(C[N@@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325738 186399174 /nfs/dbraw/zinc/39/91/74/186399174.db2.gz MWAJGKIEPZFSEI-KRWDZBQOSA-N 2 2 291.439 2.308 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000111405937 186414216 /nfs/dbraw/zinc/41/42/16/186414216.db2.gz OFSFBMUNLDTNIO-NSHDSACASA-N 2 2 254.324 2.396 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000111405937 186414217 /nfs/dbraw/zinc/41/42/17/186414217.db2.gz OFSFBMUNLDTNIO-NSHDSACASA-N 2 2 254.324 2.396 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000070359366 363076066 /nfs/dbraw/zinc/07/60/66/363076066.db2.gz HHSQHDALPATEMF-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000070359366 363076070 /nfs/dbraw/zinc/07/60/70/363076070.db2.gz HHSQHDALPATEMF-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630539886 351778042 /nfs/dbraw/zinc/77/80/42/351778042.db2.gz MZRFWHVHWYEWNU-IYBDPMFKSA-N 2 2 270.380 2.009 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000133035659 366191012 /nfs/dbraw/zinc/19/10/12/366191012.db2.gz ZXZSMJSOLDBQPE-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](COC)Cc2ccccc2)C1 ZINC000133035659 366191016 /nfs/dbraw/zinc/19/10/16/366191016.db2.gz ZXZSMJSOLDBQPE-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019966 366612532 /nfs/dbraw/zinc/61/25/32/366612532.db2.gz MSWFIYXIJHHBSX-DOTOQJQBSA-N 2 2 274.408 2.326 10 0 CEAELP C[NH+](C)C[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019966 366612535 /nfs/dbraw/zinc/61/25/35/366612535.db2.gz MSWFIYXIJHHBSX-DOTOQJQBSA-N 2 2 274.408 2.326 10 0 CEAELP COc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151282379 366635889 /nfs/dbraw/zinc/63/58/89/366635889.db2.gz HYHYPHXRUYUANA-GJZGRUSLSA-N 2 2 292.423 2.193 10 0 CEAELP CCCc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178311910 189105728 /nfs/dbraw/zinc/10/57/28/189105728.db2.gz XBOHONVTTRIUFW-ZDUSSCGKSA-N 2 2 289.383 2.192 10 0 CEAELP CCCc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)no1 ZINC000178311910 189105729 /nfs/dbraw/zinc/10/57/29/189105729.db2.gz XBOHONVTTRIUFW-ZDUSSCGKSA-N 2 2 289.383 2.192 10 0 CEAELP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCOC[C@H]1C ZINC000301873056 201243344 /nfs/dbraw/zinc/24/33/44/201243344.db2.gz JGJKSTNYANSXMH-VXGBXAGGSA-N 2 2 274.368 2.084 10 0 CEAELP C[C@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCOC[C@H]1C ZINC000301873056 201243348 /nfs/dbraw/zinc/24/33/48/201243348.db2.gz JGJKSTNYANSXMH-VXGBXAGGSA-N 2 2 274.368 2.084 10 0 CEAELP CC1CC[NH+](CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636556 363836170 /nfs/dbraw/zinc/83/61/70/363836170.db2.gz XACYPVLNWJVNJL-KKUMJFAQSA-N 2 2 266.429 2.121 10 0 CEAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095072292 364332309 /nfs/dbraw/zinc/33/23/09/364332309.db2.gz MAIYHRUBZZNRPA-IUCAKERBSA-N 2 2 275.183 2.143 10 0 CEAELP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162210447 367145085 /nfs/dbraw/zinc/14/50/85/367145085.db2.gz PGWNNQULVLVGTC-CQSZACIVSA-N 2 2 296.378 2.157 10 0 CEAELP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162210447 367145088 /nfs/dbraw/zinc/14/50/88/367145088.db2.gz PGWNNQULVLVGTC-CQSZACIVSA-N 2 2 296.378 2.157 10 0 CEAELP C[C@H]1C[N@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000631841128 367583039 /nfs/dbraw/zinc/58/30/39/367583039.db2.gz YHZWXOFHEHYARU-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP C[C@H]1C[N@@H+](Cc2coc(-c3cccs3)n2)C[C@H]1C[NH3+] ZINC000631841128 367583043 /nfs/dbraw/zinc/58/30/43/367583043.db2.gz YHZWXOFHEHYARU-WDEREUQCSA-N 2 2 277.393 2.430 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631843311 367586370 /nfs/dbraw/zinc/58/63/70/367586370.db2.gz MDXHFQHNBKVGIU-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1Cl ZINC000631843311 367586374 /nfs/dbraw/zinc/58/63/74/367586374.db2.gz MDXHFQHNBKVGIU-NEPJUHHUSA-N 2 2 295.814 2.114 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890587 367611822 /nfs/dbraw/zinc/61/18/22/367611822.db2.gz SXGUDUBYNCJQBP-KGLIPLIRSA-N 2 2 262.401 2.038 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000163660903 541635647 /nfs/dbraw/zinc/63/56/47/541635647.db2.gz MPSFBEHTTJRLTJ-HNNXBMFYSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cccc2C)C1 ZINC000163660903 541635652 /nfs/dbraw/zinc/63/56/52/541635652.db2.gz MPSFBEHTTJRLTJ-HNNXBMFYSA-N 2 2 262.397 2.114 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC000190483513 369628224 /nfs/dbraw/zinc/62/82/24/369628224.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccccn2)C1 ZINC000190483513 369628229 /nfs/dbraw/zinc/62/82/29/369628229.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190483513 369628235 /nfs/dbraw/zinc/62/82/35/369628235.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000190483513 369628239 /nfs/dbraw/zinc/62/82/39/369628239.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 2 296.418 2.431 10 0 CEAELP COc1c(C)cnc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000220426689 370233832 /nfs/dbraw/zinc/23/38/32/370233832.db2.gz GCEQPFUIORWGBP-CQSZACIVSA-N 2 2 277.412 2.138 10 0 CEAELP COc1c(C)cnc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c1C ZINC000220426689 370233836 /nfs/dbraw/zinc/23/38/36/370233836.db2.gz GCEQPFUIORWGBP-CQSZACIVSA-N 2 2 277.412 2.138 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(N)c1 ZINC000261775367 371728896 /nfs/dbraw/zinc/72/88/96/371728896.db2.gz ZNSAQJBDQXNJEK-MRXNPFEDSA-N 2 2 270.380 2.438 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(N)c1 ZINC000261775367 371728900 /nfs/dbraw/zinc/72/89/00/371728900.db2.gz ZNSAQJBDQXNJEK-MRXNPFEDSA-N 2 2 270.380 2.438 10 0 CEAELP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000261625702 371681276 /nfs/dbraw/zinc/68/12/76/371681276.db2.gz DLBMKXCJDJLHFB-JTQLQIEISA-N 2 2 294.786 2.245 10 0 CEAELP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000261625702 371681282 /nfs/dbraw/zinc/68/12/82/371681282.db2.gz DLBMKXCJDJLHFB-JTQLQIEISA-N 2 2 294.786 2.245 10 0 CEAELP C[C@@H](CC[NH2+]C1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379643119 375157020 /nfs/dbraw/zinc/15/70/20/375157020.db2.gz AXODUMRPBQFVSP-HNNXBMFYSA-N 3 2 275.440 2.239 10 0 CEAELP C[C@@H](CC[NH2+]C1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000379643119 375157025 /nfs/dbraw/zinc/15/70/25/375157025.db2.gz AXODUMRPBQFVSP-HNNXBMFYSA-N 3 2 275.440 2.239 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156381 375299119 /nfs/dbraw/zinc/29/91/19/375299119.db2.gz KTWGBRVMTCVRAX-NJAFHUGGSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156381 375299126 /nfs/dbraw/zinc/29/91/26/375299126.db2.gz KTWGBRVMTCVRAX-NJAFHUGGSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000389156381 375299131 /nfs/dbraw/zinc/29/91/31/375299131.db2.gz KTWGBRVMTCVRAX-NJAFHUGGSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000389156381 375299135 /nfs/dbraw/zinc/29/91/35/375299135.db2.gz KTWGBRVMTCVRAX-NJAFHUGGSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855943 375307213 /nfs/dbraw/zinc/30/72/13/375307213.db2.gz BAPWLQFCMGYRPF-RYQLBKOJSA-N 2 2 287.451 2.191 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855943 375307222 /nfs/dbraw/zinc/30/72/22/375307222.db2.gz BAPWLQFCMGYRPF-RYQLBKOJSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855943 375307228 /nfs/dbraw/zinc/30/72/28/375307228.db2.gz BAPWLQFCMGYRPF-RYQLBKOJSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000389855943 375307235 /nfs/dbraw/zinc/30/72/35/375307235.db2.gz BAPWLQFCMGYRPF-RYQLBKOJSA-N 2 2 287.451 2.191 10 0 CEAELP COc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313279221 249391705 /nfs/dbraw/zinc/39/17/05/249391705.db2.gz CCLFFOVMCBQKKQ-LBPRGKRZSA-N 2 2 259.353 2.322 10 0 CEAELP C[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710238 522632465 /nfs/dbraw/zinc/63/24/65/522632465.db2.gz CETZPVVJENVNDD-GFCCVEGCSA-N 2 2 258.287 2.446 10 0 CEAELP COc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473409 184807232 /nfs/dbraw/zinc/80/72/32/184807232.db2.gz JHQCNQNILWWMMM-SWLSCSKDSA-N 2 2 280.437 2.350 10 0 CEAELP COc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CS[C@@H](C)C1 ZINC000094473409 184807233 /nfs/dbraw/zinc/80/72/33/184807233.db2.gz JHQCNQNILWWMMM-SWLSCSKDSA-N 2 2 280.437 2.350 10 0 CEAELP C[NH2+]CCc1cn(Cc2c(F)cccc2Cl)c[nH+]1 ZINC000094529746 184814584 /nfs/dbraw/zinc/81/45/84/184814584.db2.gz PCLBUVULTAUKEA-UHFFFAOYSA-N 2 2 267.735 2.486 10 0 CEAELP Nc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090961503 135066719 /nfs/dbraw/zinc/06/67/19/135066719.db2.gz HUMHMJPJDWKNNT-UHFFFAOYSA-N 2 2 282.391 2.422 10 0 CEAELP CC[C@](C)([NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000094239244 135084397 /nfs/dbraw/zinc/08/43/97/135084397.db2.gz OHECHAGPMUKZKX-HNNXBMFYSA-N 2 2 265.376 2.075 10 0 CEAELP CC(C)C[N@H+](CCc1ccccc1)Cc1noc(C[NH3+])n1 ZINC000262175843 394614419 /nfs/dbraw/zinc/61/44/19/394614419.db2.gz IGEKGXWOQFVGPK-UHFFFAOYSA-N 2 2 288.395 2.229 10 0 CEAELP CC(C)C[N@@H+](CCc1ccccc1)Cc1noc(C[NH3+])n1 ZINC000262175843 394614423 /nfs/dbraw/zinc/61/44/23/394614423.db2.gz IGEKGXWOQFVGPK-UHFFFAOYSA-N 2 2 288.395 2.229 10 0 CEAELP Cc1cc(C)cc(OCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557567 400144985 /nfs/dbraw/zinc/14/49/85/400144985.db2.gz NCXDRNQQQGUDSP-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1cc(C)cc(OCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557567 400144989 /nfs/dbraw/zinc/14/49/89/400144989.db2.gz NCXDRNQQQGUDSP-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634332 286307662 /nfs/dbraw/zinc/30/76/62/286307662.db2.gz FWOKDZAKSHTJQS-OCCSQVGLSA-N 2 2 278.396 2.263 10 0 CEAELP COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000261634332 286307665 /nfs/dbraw/zinc/30/76/65/286307665.db2.gz FWOKDZAKSHTJQS-OCCSQVGLSA-N 2 2 278.396 2.263 10 0 CEAELP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516347 153294304 /nfs/dbraw/zinc/29/43/04/153294304.db2.gz UUOXXSQKJQLJSO-UONOGXRCSA-N 2 2 291.395 2.075 10 0 CEAELP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516347 153294307 /nfs/dbraw/zinc/29/43/07/153294307.db2.gz UUOXXSQKJQLJSO-UONOGXRCSA-N 2 2 291.395 2.075 10 0 CEAELP CCCCOC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294242 165232109 /nfs/dbraw/zinc/23/21/09/165232109.db2.gz GHIJDRLRSUDEMO-OAHLLOKOSA-N 2 2 293.411 2.389 10 0 CEAELP CCCCOC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294242 165232111 /nfs/dbraw/zinc/23/21/11/165232111.db2.gz GHIJDRLRSUDEMO-OAHLLOKOSA-N 2 2 293.411 2.389 10 0 CEAELP CC(C)C[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226433 171092251 /nfs/dbraw/zinc/09/22/51/171092251.db2.gz KKJCSFUWEQFZDB-GFCCVEGCSA-N 2 2 250.342 2.003 10 0 CEAELP CC(C)C[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226433 171092254 /nfs/dbraw/zinc/09/22/54/171092254.db2.gz KKJCSFUWEQFZDB-GFCCVEGCSA-N 2 2 250.342 2.003 10 0 CEAELP CCc1ccc(OC[C@@H](C[NH3+])[NH+]2CCCCC2)cc1 ZINC000020400811 171181484 /nfs/dbraw/zinc/18/14/84/171181484.db2.gz JZNOWZOAEFZCGR-OAHLLOKOSA-N 2 2 262.397 2.441 10 0 CEAELP CCc1cccc(OC[C@H](C[NH3+])[NH+]2CCCCC2)c1 ZINC000020400809 171181751 /nfs/dbraw/zinc/18/17/51/171181751.db2.gz QGCXBRTTXKGWQG-HNNXBMFYSA-N 2 2 262.397 2.441 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000037174485 173008669 /nfs/dbraw/zinc/00/86/69/173008669.db2.gz VYPMANZPBUAJPD-OCCSQVGLSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000037174485 173008671 /nfs/dbraw/zinc/00/86/71/173008671.db2.gz VYPMANZPBUAJPD-OCCSQVGLSA-N 2 2 250.411 2.432 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2sccc2C)CC1 ZINC000037265853 173075330 /nfs/dbraw/zinc/07/53/30/173075330.db2.gz QFPLNQMZTVSTHM-GFCCVEGCSA-N 2 2 254.399 2.167 10 0 CEAELP Cc1csc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038090988 174104491 /nfs/dbraw/zinc/10/44/91/174104491.db2.gz CTSRMOWXOFEGNL-DLOVCJGASA-N 2 2 253.415 2.270 10 0 CEAELP Cc1csc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000038090988 174104492 /nfs/dbraw/zinc/10/44/92/174104492.db2.gz CTSRMOWXOFEGNL-DLOVCJGASA-N 2 2 253.415 2.270 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502623 174299221 /nfs/dbraw/zinc/29/92/21/174299221.db2.gz BXBIIJNMQPNCCI-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502623 174299224 /nfs/dbraw/zinc/29/92/24/174299224.db2.gz BXBIIJNMQPNCCI-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CCN(CC)c1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687513 174375703 /nfs/dbraw/zinc/37/57/03/174375703.db2.gz SQXCRBUYIPDLHW-UHFFFAOYSA-N 2 2 258.329 2.044 10 0 CEAELP CC[C@H](CC(N)=[NH2+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694099 174377862 /nfs/dbraw/zinc/37/78/62/174377862.db2.gz WFGCMXPQFDYDSP-CYBMUJFWSA-N 3 2 266.433 2.041 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC000040717464 174384945 /nfs/dbraw/zinc/38/49/45/174384945.db2.gz VDUZORXIZVXFNG-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC000040717464 174384946 /nfs/dbraw/zinc/38/49/46/174384946.db2.gz VDUZORXIZVXFNG-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP CCC[N@H+](C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747622 174392688 /nfs/dbraw/zinc/39/26/88/174392688.db2.gz WTOAMZDUWJLUFU-FKEKPDDDSA-N 3 2 279.472 2.466 10 0 CEAELP CCC[N@@H+](C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747622 174392690 /nfs/dbraw/zinc/39/26/90/174392690.db2.gz WTOAMZDUWJLUFU-FKEKPDDDSA-N 3 2 279.472 2.466 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314993 175004535 /nfs/dbraw/zinc/00/45/35/175004535.db2.gz KJZUCKURUYLHJB-KRWDZBQOSA-N 2 2 294.439 2.288 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314993 175004536 /nfs/dbraw/zinc/00/45/36/175004536.db2.gz KJZUCKURUYLHJB-KRWDZBQOSA-N 2 2 294.439 2.288 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314912 175004886 /nfs/dbraw/zinc/00/48/86/175004886.db2.gz DONSPHJLYJVQQA-HNNXBMFYSA-N 2 2 250.386 2.272 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1cccc(C)c1C ZINC000043314912 175004888 /nfs/dbraw/zinc/00/48/88/175004888.db2.gz DONSPHJLYJVQQA-HNNXBMFYSA-N 2 2 250.386 2.272 10 0 CEAELP c1cn(Cc2cccc(N[C@@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000043326791 175008293 /nfs/dbraw/zinc/00/82/93/175008293.db2.gz PKPOXTXAPDSCFC-OAHLLOKOSA-N 2 2 256.353 2.095 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043340477 175014418 /nfs/dbraw/zinc/01/44/18/175014418.db2.gz WUMUFOVNZHYITF-NVXWUHKLSA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC)[C@@H](C)COC ZINC000043341146 175015281 /nfs/dbraw/zinc/01/52/81/175015281.db2.gz YXAZSPDZPKHQRA-GUTXKFCHSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC)[C@@H](C)COC ZINC000043341146 175015282 /nfs/dbraw/zinc/01/52/82/175015282.db2.gz YXAZSPDZPKHQRA-GUTXKFCHSA-N 2 2 265.401 2.217 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccncc1 ZINC000043347080 175017775 /nfs/dbraw/zinc/01/77/75/175017775.db2.gz GQLMYMVAWNWVFO-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccncc1 ZINC000043347080 175017777 /nfs/dbraw/zinc/01/77/77/175017777.db2.gz GQLMYMVAWNWVFO-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2cccnc2)[C@H]([NH3+])CC)CC1 ZINC000043347182 175017987 /nfs/dbraw/zinc/01/79/87/175017987.db2.gz BPDINRYHXPKBGC-CVEARBPZSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353858 175020667 /nfs/dbraw/zinc/02/06/67/175020667.db2.gz JUMIUHHLGQIDCC-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353858 175020669 /nfs/dbraw/zinc/02/06/69/175020669.db2.gz JUMIUHHLGQIDCC-IAGOWNOFSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354616 175022372 /nfs/dbraw/zinc/02/23/72/175022372.db2.gz PAROMTZHMJTHDS-IAGOWNOFSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354616 175022373 /nfs/dbraw/zinc/02/23/73/175022373.db2.gz PAROMTZHMJTHDS-IAGOWNOFSA-N 2 2 291.439 2.487 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043364573 175025970 /nfs/dbraw/zinc/02/59/70/175025970.db2.gz RFKZRUJECSQEGH-DOMZBBRYSA-N 2 2 266.385 2.477 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000043364992 175026071 /nfs/dbraw/zinc/02/60/71/175026071.db2.gz XNOZTNDECAAUNH-XJKSGUPXSA-N 3 2 279.428 2.250 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCCO)C(C)C ZINC000043365170 175026887 /nfs/dbraw/zinc/02/68/87/175026887.db2.gz XDYCRFPROJNTQA-DZGCQCFKSA-N 2 2 268.401 2.459 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCCO)C(C)C ZINC000043365170 175026889 /nfs/dbraw/zinc/02/68/89/175026889.db2.gz XDYCRFPROJNTQA-DZGCQCFKSA-N 2 2 268.401 2.459 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@H+](C)CCOC ZINC000043915173 175124217 /nfs/dbraw/zinc/12/42/17/175124217.db2.gz BVURQTZWDDYPRS-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1[N@@H+](C)CCOC ZINC000043915173 175124218 /nfs/dbraw/zinc/12/42/18/175124218.db2.gz BVURQTZWDDYPRS-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966031 175127098 /nfs/dbraw/zinc/12/70/98/175127098.db2.gz FTZVJIFIQSVXSN-XQLPTFJDSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966031 175127099 /nfs/dbraw/zinc/12/70/99/175127099.db2.gz FTZVJIFIQSVXSN-XQLPTFJDSA-N 2 2 254.418 2.264 10 0 CEAELP Oc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000044746749 175242644 /nfs/dbraw/zinc/24/26/44/175242644.db2.gz UCDOBEQVUFGYQA-SJORKVTESA-N 2 2 272.392 2.453 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067054 175299978 /nfs/dbraw/zinc/29/99/78/175299978.db2.gz NXBNMSFXCYRGJI-MAZHCROVSA-N 2 2 276.428 2.463 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045067054 175299979 /nfs/dbraw/zinc/29/99/79/175299979.db2.gz NXBNMSFXCYRGJI-MAZHCROVSA-N 2 2 276.428 2.463 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000045136406 175314034 /nfs/dbraw/zinc/31/40/34/175314034.db2.gz WQOSUJNAIMSWBR-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000045136406 175314035 /nfs/dbraw/zinc/31/40/35/175314035.db2.gz WQOSUJNAIMSWBR-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@@H+]2Cc3cccc(N)c3C2)C1 ZINC000045136406 175314037 /nfs/dbraw/zinc/31/40/37/175314037.db2.gz WQOSUJNAIMSWBR-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@H](C[N@H+]2Cc3cccc(N)c3C2)C1 ZINC000045136406 175314038 /nfs/dbraw/zinc/31/40/38/175314038.db2.gz WQOSUJNAIMSWBR-CYBMUJFWSA-N 2 2 259.397 2.315 10 0 CEAELP COc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1Cl ZINC000045946368 175387920 /nfs/dbraw/zinc/38/79/20/175387920.db2.gz FEDOQLZVMWJJJI-UHFFFAOYSA-N 2 2 265.744 2.404 10 0 CEAELP COc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1Cl ZINC000045946368 175387921 /nfs/dbraw/zinc/38/79/21/175387921.db2.gz FEDOQLZVMWJJJI-UHFFFAOYSA-N 2 2 265.744 2.404 10 0 CEAELP CCC[N@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071092215 176031956 /nfs/dbraw/zinc/03/19/56/176031956.db2.gz WIZHAUJFAVNKJH-NVXWUHKLSA-N 2 2 274.408 2.374 10 0 CEAELP CCC[N@@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071092215 176031958 /nfs/dbraw/zinc/03/19/58/176031958.db2.gz WIZHAUJFAVNKJH-NVXWUHKLSA-N 2 2 274.408 2.374 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191421 176070179 /nfs/dbraw/zinc/07/01/79/176070179.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191421 176070180 /nfs/dbraw/zinc/07/01/80/176070180.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191421 176070182 /nfs/dbraw/zinc/07/01/82/176070182.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@](C)(C[NH2+]CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191421 176070183 /nfs/dbraw/zinc/07/01/83/176070183.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCOC2CCCCC2)C1 ZINC000071199912 176077186 /nfs/dbraw/zinc/07/71/86/176077186.db2.gz OBHMNKADUCFHTA-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCOC2CCCCC2)C1 ZINC000071199912 176077187 /nfs/dbraw/zinc/07/71/87/176077187.db2.gz OBHMNKADUCFHTA-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP Cn1cc[nH+]c1Cn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000071275893 176106543 /nfs/dbraw/zinc/10/65/43/176106543.db2.gz MQQXKPYMVOZING-LBPRGKRZSA-N 2 2 258.369 2.242 10 0 CEAELP CC[N@H+](Cc1ccc(O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312376 176119163 /nfs/dbraw/zinc/11/91/63/176119163.db2.gz IGRIFMGRMCWACS-NSHDSACASA-N 2 2 254.761 2.229 10 0 CEAELP CC[N@@H+](Cc1ccc(O)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000071312376 176119164 /nfs/dbraw/zinc/11/91/64/176119164.db2.gz IGRIFMGRMCWACS-NSHDSACASA-N 2 2 254.761 2.229 10 0 CEAELP CCCN(Cc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000071331398 176124849 /nfs/dbraw/zinc/12/48/49/176124849.db2.gz SOBIOECMHOWZRJ-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP CCOCC[N@@H+]1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342115 176130165 /nfs/dbraw/zinc/13/01/65/176130165.db2.gz XFTFQJHYKWVNLP-GJZGRUSLSA-N 2 2 254.418 2.121 10 0 CEAELP CCOCC[N@H+]1C[C@@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342115 176130167 /nfs/dbraw/zinc/13/01/67/176130167.db2.gz XFTFQJHYKWVNLP-GJZGRUSLSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)C[C@H]1CN(CCCn2cc[nH+]c2)[C@H](C2CC2)C[NH2+]1 ZINC000071351109 176134603 /nfs/dbraw/zinc/13/46/03/176134603.db2.gz PVLUUKVXGPQJRJ-IRXDYDNUSA-N 2 2 290.455 2.372 10 0 CEAELP CCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071359163 176137156 /nfs/dbraw/zinc/13/71/56/176137156.db2.gz POZWZVPCNDTASX-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071359163 176137158 /nfs/dbraw/zinc/13/71/58/176137158.db2.gz POZWZVPCNDTASX-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000071358257 176137409 /nfs/dbraw/zinc/13/74/09/176137409.db2.gz IQDSXMWSESIHTH-AWEZNQCLSA-N 2 2 284.407 2.441 10 0 CEAELP CCOC(=O)[C@](C)(C1CCCCC1)[N@@H+]1CCC[NH2+]CC1 ZINC000071399835 176152061 /nfs/dbraw/zinc/15/20/61/176152061.db2.gz HCQJTQAWKACYGA-INIZCTEOSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@](C)(C1CCCCC1)[N@H+]1CCC[NH2+]CC1 ZINC000071399835 176152063 /nfs/dbraw/zinc/15/20/63/176152063.db2.gz HCQJTQAWKACYGA-INIZCTEOSA-N 2 2 282.428 2.184 10 0 CEAELP [NH3+]CCc1[nH]c[nH+]c1-c1cc(Br)cs1 ZINC000071611491 176231857 /nfs/dbraw/zinc/23/18/57/176231857.db2.gz SSQLOAQNCZZFHW-UHFFFAOYSA-N 2 2 272.171 2.402 10 0 CEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000656701634 415823651 /nfs/dbraw/zinc/82/36/51/415823651.db2.gz ZTYZZWHPFRENNJ-CQSZACIVSA-N 2 2 297.468 2.024 10 0 CEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nccs2)CC1 ZINC000656701634 415823654 /nfs/dbraw/zinc/82/36/54/415823654.db2.gz ZTYZZWHPFRENNJ-CQSZACIVSA-N 2 2 297.468 2.024 10 0 CEAELP Fc1ccc(Br)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398385193 270357948 /nfs/dbraw/zinc/35/79/48/270357948.db2.gz XDJIIGOZAPCYCQ-SECBINFHSA-N 2 2 287.176 2.287 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1C ZINC000154616959 280092989 /nfs/dbraw/zinc/09/29/89/280092989.db2.gz WMLPPNAYBXHVSK-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1C ZINC000154616959 280092990 /nfs/dbraw/zinc/09/29/90/280092990.db2.gz WMLPPNAYBXHVSK-SMDDNHRTSA-N 2 2 264.417 2.265 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccnc3C(F)(F)F)C[C@H]12 ZINC000530219770 298055358 /nfs/dbraw/zinc/05/53/58/298055358.db2.gz QOPXXDVUHTVEJX-ADEWGFFLSA-N 2 2 285.313 2.270 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)C[C@H]12 ZINC000530219770 298055360 /nfs/dbraw/zinc/05/53/60/298055360.db2.gz QOPXXDVUHTVEJX-ADEWGFFLSA-N 2 2 285.313 2.270 10 0 CEAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554482 519697504 /nfs/dbraw/zinc/69/75/04/519697504.db2.gz HWVVYUVXWGWEIO-PMRDEQMMSA-N 3 2 281.488 2.425 10 0 CEAELP CC(C)C[NH2+]CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573083 519743612 /nfs/dbraw/zinc/74/36/12/519743612.db2.gz APRCERRVTVEKLJ-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)C[NH2+]CCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573083 519743613 /nfs/dbraw/zinc/74/36/13/519743613.db2.gz APRCERRVTVEKLJ-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1C ZINC000052476818 520028027 /nfs/dbraw/zinc/02/80/27/520028027.db2.gz FIONBZCRQLMFQZ-STQMWFEESA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1C ZINC000052476818 520028035 /nfs/dbraw/zinc/02/80/35/520028035.db2.gz FIONBZCRQLMFQZ-STQMWFEESA-N 2 2 266.385 2.307 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1cccc(OC)c1 ZINC000052372845 522063342 /nfs/dbraw/zinc/06/33/42/522063342.db2.gz GZVISUWTXOLDQN-OAHLLOKOSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000052372845 522063353 /nfs/dbraw/zinc/06/33/53/522063353.db2.gz GZVISUWTXOLDQN-OAHLLOKOSA-N 2 2 250.386 2.371 10 0 CEAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H](C)CC[NH+](C)C ZINC000049554482 519697502 /nfs/dbraw/zinc/69/75/02/519697502.db2.gz HWVVYUVXWGWEIO-PMRDEQMMSA-N 3 2 281.488 2.425 10 0 CEAELP CC(C)[NH2+]CC[C@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417722 519722074 /nfs/dbraw/zinc/72/20/74/519722074.db2.gz BKKNAIBOFXEVRN-ZDUSSCGKSA-N 2 2 282.457 2.042 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C)C[NH+]1CCN(c2nccs2)CC1 ZINC000052417648 519744605 /nfs/dbraw/zinc/74/46/05/519744605.db2.gz FFZJQGBJBCLUEB-CQSZACIVSA-N 2 2 296.484 2.147 10 0 CEAELP CCCC1CC[NH+](CCC[C@](C)([NH2+]C)C(=O)OC)CC1 ZINC000050905769 519900911 /nfs/dbraw/zinc/90/09/11/519900911.db2.gz YEKXNPZOROJWHB-INIZCTEOSA-N 2 2 284.444 2.430 10 0 CEAELP CCCC1CC[NH+]([C@H]2COCC[C@H]2[NH2+]CC)CC1 ZINC000050893606 519903646 /nfs/dbraw/zinc/90/36/46/519903646.db2.gz FLHMGBJRXROFTB-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]C[C@@]1(Cc2[nH+]cc(C)c(OC)c2C)CCOC1 ZINC000054664201 519957776 /nfs/dbraw/zinc/95/77/76/519957776.db2.gz FUFGVIUXGBVHAH-INIZCTEOSA-N 2 2 278.396 2.266 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+](CCOC)[C@H](C)CC)cs1 ZINC000052547167 520020363 /nfs/dbraw/zinc/02/03/63/520020363.db2.gz XXWBBTXZTFGQCO-GFCCVEGCSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+](CCOC)[C@H](C)CC)cs1 ZINC000052547167 520020372 /nfs/dbraw/zinc/02/03/72/520020372.db2.gz XXWBBTXZTFGQCO-GFCCVEGCSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1C ZINC000052476819 520028378 /nfs/dbraw/zinc/02/83/78/520028378.db2.gz FIONBZCRQLMFQZ-QWHCGFSZSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1C ZINC000052476819 520028386 /nfs/dbraw/zinc/02/83/86/520028386.db2.gz FIONBZCRQLMFQZ-QWHCGFSZSA-N 2 2 266.385 2.307 10 0 CEAELP CCNc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cn1 ZINC000050816464 520298298 /nfs/dbraw/zinc/29/82/98/520298298.db2.gz JHLWCNUECKWDKA-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cn1 ZINC000050816464 520298305 /nfs/dbraw/zinc/29/83/05/520298305.db2.gz JHLWCNUECKWDKA-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053012707 520610094 /nfs/dbraw/zinc/61/00/94/520610094.db2.gz IYJXRQRLZMQHAP-MRXNPFEDSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053012707 520610102 /nfs/dbraw/zinc/61/01/02/520610102.db2.gz IYJXRQRLZMQHAP-MRXNPFEDSA-N 3 2 269.477 2.286 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237394 520969311 /nfs/dbraw/zinc/96/93/11/520969311.db2.gz KYKYLKJKEHSMEO-AWEZNQCLSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237394 520969320 /nfs/dbraw/zinc/96/93/20/520969320.db2.gz KYKYLKJKEHSMEO-AWEZNQCLSA-N 2 2 278.396 2.436 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000068650309 521554853 /nfs/dbraw/zinc/55/48/53/521554853.db2.gz GYSJHQJRIIKYDH-LRDDRELGSA-N 2 2 293.411 2.470 10 0 CEAELP COc1c(C)c[nH+]c(COC2CCC([NH3+])CC2)c1C ZINC000055142830 521814919 /nfs/dbraw/zinc/81/49/19/521814919.db2.gz SNSKOGKNCQRCGF-UHFFFAOYSA-N 2 2 264.369 2.494 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+](Cc1ccsc1)C1CC1 ZINC000052810848 521830579 /nfs/dbraw/zinc/83/05/79/521830579.db2.gz YZTQNRLGUHIPIH-GFCCVEGCSA-N 2 2 254.399 2.076 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+](Cc1ccsc1)C1CC1 ZINC000052810848 521830587 /nfs/dbraw/zinc/83/05/87/521830587.db2.gz YZTQNRLGUHIPIH-GFCCVEGCSA-N 2 2 254.399 2.076 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757222 522346424 /nfs/dbraw/zinc/34/64/24/522346424.db2.gz KXMAMQVNXFEJAO-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757222 522346428 /nfs/dbraw/zinc/34/64/28/522346428.db2.gz KXMAMQVNXFEJAO-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CN(C)c1nc(N(CCC(N)=[NH2+])c2ccccc2)cc[nH+]1 ZINC000068690054 522360649 /nfs/dbraw/zinc/36/06/49/522360649.db2.gz YTHVAOPLEXFRKY-UHFFFAOYSA-N 2 2 284.367 2.007 10 0 CEAELP C[NH2+][C@@H]1COc2cc(OCCCn3cc[nH+]c3)ccc21 ZINC000062804001 522398567 /nfs/dbraw/zinc/39/85/67/522398567.db2.gz ZLLFEYAGLHCXRJ-CQSZACIVSA-N 2 2 273.336 2.005 10 0 CEAELP C[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062710238 522632455 /nfs/dbraw/zinc/63/24/55/522632455.db2.gz CETZPVVJENVNDD-GFCCVEGCSA-N 2 2 258.287 2.446 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH2+]C(C)(C)C)C(C)C)[C@@H](C)COC ZINC000052572239 523780363 /nfs/dbraw/zinc/78/03/63/523780363.db2.gz KIXIVAFUYAMSDX-GJZGRUSLSA-N 2 2 288.476 2.382 10 0 CEAELP COCC[N@H+]([C@@H](C[NH2+]C(C)(C)C)C(C)C)[C@@H](C)COC ZINC000052572239 523780371 /nfs/dbraw/zinc/78/03/71/523780371.db2.gz KIXIVAFUYAMSDX-GJZGRUSLSA-N 2 2 288.476 2.382 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(CCO)Cc2ccccc2)[nH+]1 ZINC000050513800 524261020 /nfs/dbraw/zinc/26/10/20/524261020.db2.gz NOPJHWXTLUPRFC-UHFFFAOYSA-N 2 2 285.391 2.156 10 0 CEAELP Cc1ccc(C[N@@H+](C)[C@]2(C[NH3+])CCCSC2)o1 ZINC000061590031 524400957 /nfs/dbraw/zinc/40/09/57/524400957.db2.gz GUOLPMCNWGKEAY-ZDUSSCGKSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1ccc(C[N@H+](C)[C@]2(C[NH3+])CCCSC2)o1 ZINC000061590031 524400964 /nfs/dbraw/zinc/40/09/64/524400964.db2.gz GUOLPMCNWGKEAY-ZDUSSCGKSA-N 2 2 254.399 2.244 10 0 CEAELP COc1ccccc1C[N@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590136 524437259 /nfs/dbraw/zinc/43/72/59/524437259.db2.gz IQMYGYSIXIJEGR-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP COc1ccccc1C[N@@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590136 524437268 /nfs/dbraw/zinc/43/72/68/524437268.db2.gz IQMYGYSIXIJEGR-OAHLLOKOSA-N 2 2 280.437 2.352 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812937 524610038 /nfs/dbraw/zinc/61/00/38/524610038.db2.gz PGGZIBMOKOXTRI-NSHDSACASA-N 2 2 278.425 2.002 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)CC1CCCCC1 ZINC000068638487 524852873 /nfs/dbraw/zinc/85/28/73/524852873.db2.gz GIHKBGUVMLZRAD-SUMWQHHRSA-N 2 2 295.471 2.273 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)CC1CCCCC1 ZINC000068638487 524852881 /nfs/dbraw/zinc/85/28/81/524852881.db2.gz GIHKBGUVMLZRAD-SUMWQHHRSA-N 2 2 295.471 2.273 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000050578636 525007518 /nfs/dbraw/zinc/00/75/18/525007518.db2.gz GEWRKRJEWYKUFF-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)C1CCOCC1 ZINC000050578636 525007526 /nfs/dbraw/zinc/00/75/26/525007526.db2.gz GEWRKRJEWYKUFF-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP COc1ccc2cc(Cn3cc[nH+]c3C)c(N)[nH+]c2c1 ZINC000050818386 525633692 /nfs/dbraw/zinc/63/36/92/525633692.db2.gz BXJBCUFWPYBFJB-UHFFFAOYSA-N 2 2 268.320 2.379 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](CCO)Cc2ccccc2)cc1 ZINC000050513933 525952162 /nfs/dbraw/zinc/95/21/62/525952162.db2.gz WIRQNEXYLWWOMG-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000050513933 525952169 /nfs/dbraw/zinc/95/21/69/525952169.db2.gz WIRQNEXYLWWOMG-SFHVURJKSA-N 2 2 284.403 2.489 10 0 CEAELP Cc1cc(-n2cc[nH+]c2CC[NH3+])c2ccccc2[nH+]1 ZINC000052304595 526075769 /nfs/dbraw/zinc/07/57/69/526075769.db2.gz WXTGOUJWXGXVMY-UHFFFAOYSA-N 3 2 252.321 2.230 10 0 CEAELP Cc1ccc2[nH]c(SCC[NH2+]CC[NH+](C)C)nc2c1 ZINC000061441235 526102480 /nfs/dbraw/zinc/10/24/80/526102480.db2.gz UDOHOBHEJJWTDN-UHFFFAOYSA-N 2 2 278.425 2.115 10 0 CEAELP Cc1ccc2nc(SCC[NH2+]CC[NH+](C)C)[nH]c2c1 ZINC000061441235 526102488 /nfs/dbraw/zinc/10/24/88/526102488.db2.gz UDOHOBHEJJWTDN-UHFFFAOYSA-N 2 2 278.425 2.115 10 0 CEAELP Cc1nn(Cc2cn3ccccc3[nH+]2)c(C)c1C[C@H](C)[NH3+] ZINC000062803238 526299300 /nfs/dbraw/zinc/29/93/00/526299300.db2.gz TXNCYUNWXKORAB-NSHDSACASA-N 2 2 283.379 2.086 10 0 CEAELP Cc1csc(C[NH2+]C[C@@](C)([NH3+])c2ccccc2)n1 ZINC000052883537 526356051 /nfs/dbraw/zinc/35/60/51/526356051.db2.gz ZPEDIASKWNOOJT-CQSZACIVSA-N 2 2 261.394 2.415 10 0 CEAELP [NH3+]Cc1cc(C[N@H+](Cc2ccsc2)C2CC2)on1 ZINC000052542052 527247052 /nfs/dbraw/zinc/24/70/52/527247052.db2.gz SBZQVLDLUUMSLF-UHFFFAOYSA-N 2 2 263.366 2.359 10 0 CEAELP [NH3+]Cc1cc(C[N@@H+](Cc2ccsc2)C2CC2)on1 ZINC000052542052 527247054 /nfs/dbraw/zinc/24/70/54/527247054.db2.gz SBZQVLDLUUMSLF-UHFFFAOYSA-N 2 2 263.366 2.359 10 0 CEAELP [NH3+]Cc1ccccc1NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000050910511 527260868 /nfs/dbraw/zinc/26/08/68/527260868.db2.gz PMWHYLWZKBEYGQ-UHFFFAOYSA-N 2 2 281.359 2.100 10 0 CEAELP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714613 628198253 /nfs/dbraw/zinc/19/82/53/628198253.db2.gz KHGUPRLPGWPTBJ-GOSISDBHSA-N 3 2 287.451 2.240 10 0 CEAELP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714613 628198257 /nfs/dbraw/zinc/19/82/57/628198257.db2.gz KHGUPRLPGWPTBJ-GOSISDBHSA-N 3 2 287.451 2.240 10 0 CEAELP OCC[NH+]1CCC([NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000399200587 628783927 /nfs/dbraw/zinc/78/39/27/628783927.db2.gz UEOAUJDJNKIHKN-HNNXBMFYSA-N 2 2 292.448 2.270 10 0 CEAELP CCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668495 639869705 /nfs/dbraw/zinc/86/97/05/639869705.db2.gz DDSRNRFLTVAJKO-LSDHHAIUSA-N 2 2 283.460 2.145 10 0 CEAELP CCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668495 639869711 /nfs/dbraw/zinc/86/97/11/639869711.db2.gz DDSRNRFLTVAJKO-LSDHHAIUSA-N 2 2 283.460 2.145 10 0 CEAELP O[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000096028679 185067048 /nfs/dbraw/zinc/06/70/48/185067048.db2.gz HUVGDTRCZVNHGX-RTBURBONSA-N 2 2 296.414 2.412 10 0 CEAELP O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1 ZINC000096028679 185067049 /nfs/dbraw/zinc/06/70/49/185067049.db2.gz HUVGDTRCZVNHGX-RTBURBONSA-N 2 2 296.414 2.412 10 0 CEAELP COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728994 178245649 /nfs/dbraw/zinc/24/56/49/178245649.db2.gz GNUVNPRIRGKHKQ-CABCVRRESA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728994 178245652 /nfs/dbraw/zinc/24/56/52/178245652.db2.gz GNUVNPRIRGKHKQ-CABCVRRESA-N 2 2 290.407 2.278 10 0 CEAELP Brc1ccc(-n2c[nH+]cc2[C@H]2CC[NH2+]C2)nc1 ZINC000097014102 185151283 /nfs/dbraw/zinc/15/12/83/185151283.db2.gz KXMKUOIAZQUTJJ-VIFPVBQESA-N 2 2 293.168 2.107 10 0 CEAELP Cc1cc(N(C)CC[NH+](C)C)[nH+]c2ccc(N)cc12 ZINC000168676414 344481133 /nfs/dbraw/zinc/48/11/33/344481133.db2.gz GEBDBJVPIAEUIU-UHFFFAOYSA-N 2 2 258.369 2.123 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1C ZINC000384425984 344828331 /nfs/dbraw/zinc/82/83/31/344828331.db2.gz UJXABWROFONTHM-QGZVFWFLSA-N 2 2 276.424 2.158 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1C ZINC000384425984 344828333 /nfs/dbraw/zinc/82/83/33/344828333.db2.gz UJXABWROFONTHM-QGZVFWFLSA-N 2 2 276.424 2.158 10 0 CEAELP CCc1ccc([N@H+](C)CCC[C@](C)(O)C[NH3+])cc1 ZINC000085303605 179011159 /nfs/dbraw/zinc/01/11/59/179011159.db2.gz QOGZEFFAPXYCNW-HNNXBMFYSA-N 2 2 250.386 2.175 10 0 CEAELP CCc1ccc([N@@H+](C)CCC[C@](C)(O)C[NH3+])cc1 ZINC000085303605 179011162 /nfs/dbraw/zinc/01/11/62/179011162.db2.gz QOGZEFFAPXYCNW-HNNXBMFYSA-N 2 2 250.386 2.175 10 0 CEAELP CC[N@H+](CCCC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085304289 179011524 /nfs/dbraw/zinc/01/15/24/179011524.db2.gz SSSHLJZGVNGZON-OAHLLOKOSA-N 2 2 250.386 2.393 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)(O)C[NH3+])c1ccccc1 ZINC000085304289 179011525 /nfs/dbraw/zinc/01/15/25/179011525.db2.gz SSSHLJZGVNGZON-OAHLLOKOSA-N 2 2 250.386 2.393 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494110 179082255 /nfs/dbraw/zinc/08/22/55/179082255.db2.gz JSMWIMGOQVAKJC-NWANDNLSSA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494110 179082257 /nfs/dbraw/zinc/08/22/57/179082257.db2.gz JSMWIMGOQVAKJC-NWANDNLSSA-N 2 2 254.418 2.121 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085513639 179086618 /nfs/dbraw/zinc/08/66/18/179086618.db2.gz FKMUTVBWLYUBOR-IAGOWNOFSA-N 2 2 288.439 2.044 10 0 CEAELP CCOCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085516079 179087470 /nfs/dbraw/zinc/08/74/70/179087470.db2.gz KVLWIRIZBXELRU-HOTGVXAUSA-N 2 2 266.429 2.266 10 0 CEAELP CCOCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085516079 179087472 /nfs/dbraw/zinc/08/74/72/179087472.db2.gz KVLWIRIZBXELRU-HOTGVXAUSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516274 179087683 /nfs/dbraw/zinc/08/76/83/179087683.db2.gz WYFWGYVBTOUYAN-ULQDDVLXSA-N 2 2 278.440 2.408 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](C[C@@H]2CCCO2)[C@](C)(C2CC2)C[NH2+]1 ZINC000085516274 179087684 /nfs/dbraw/zinc/08/76/84/179087684.db2.gz WYFWGYVBTOUYAN-ULQDDVLXSA-N 2 2 278.440 2.408 10 0 CEAELP C[C@H]([NH3+])c1nc(C[N@@H+]2CCCSCC2)cs1 ZINC000085550233 179093301 /nfs/dbraw/zinc/09/33/01/179093301.db2.gz FNRNKKGRKLGLSA-VIFPVBQESA-N 2 2 257.428 2.102 10 0 CEAELP C[C@H]([NH3+])c1nc(C[N@H+]2CCCSCC2)cs1 ZINC000085550233 179093303 /nfs/dbraw/zinc/09/33/03/179093303.db2.gz FNRNKKGRKLGLSA-VIFPVBQESA-N 2 2 257.428 2.102 10 0 CEAELP c1cc(N2CCCC2)[nH+]cc1N[C@@H]1CCC[NH2+]CC1 ZINC000129004084 365818164 /nfs/dbraw/zinc/81/81/64/365818164.db2.gz UGGRQMYYEJJGTM-CYBMUJFWSA-N 2 2 260.385 2.236 10 0 CEAELP C[NH2+][C@H](CCO)C[NH+]1CCC2(CCCCC2)CC1 ZINC000085922767 179201197 /nfs/dbraw/zinc/20/11/97/179201197.db2.gz PGPWAUPTPRRRBJ-CQSZACIVSA-N 2 2 254.418 2.003 10 0 CEAELP CC[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086091906 179229152 /nfs/dbraw/zinc/22/91/52/179229152.db2.gz VEOUUEDAOYHTHJ-MBNYWOFBSA-N 2 2 264.417 2.400 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264841 179261202 /nfs/dbraw/zinc/26/12/02/179261202.db2.gz DKCDAJMDKZQBFE-CVEARBPZSA-N 2 2 284.407 2.345 10 0 CEAELP CCC1(CC)C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291425 179265124 /nfs/dbraw/zinc/26/51/24/179265124.db2.gz GLOIUSDYWDABTI-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CCC1(CC)C[N@@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291425 179265126 /nfs/dbraw/zinc/26/51/26/179265126.db2.gz GLOIUSDYWDABTI-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291529 179266314 /nfs/dbraw/zinc/26/63/14/179266314.db2.gz MFCJZMRHXRVFPM-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291529 179266317 /nfs/dbraw/zinc/26/63/17/179266317.db2.gz MFCJZMRHXRVFPM-INIZCTEOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086291546 179266355 /nfs/dbraw/zinc/26/63/55/179266355.db2.gz SGLDCSZXGAPRDS-MRXNPFEDSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086291546 179266357 /nfs/dbraw/zinc/26/63/57/179266357.db2.gz SGLDCSZXGAPRDS-MRXNPFEDSA-N 3 2 267.461 2.038 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897079 365940284 /nfs/dbraw/zinc/94/02/84/365940284.db2.gz OQTFJDOQTWJATB-CHWSQXEVSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897079 365940288 /nfs/dbraw/zinc/94/02/88/365940288.db2.gz OQTFJDOQTWJATB-CHWSQXEVSA-N 2 2 278.396 2.449 10 0 CEAELP CCC[NH2+][C@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833685 179350267 /nfs/dbraw/zinc/35/02/67/179350267.db2.gz YTBYGBRMZDCTDS-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP CCC[NH2+][C@]1(c2nccs2)CCC[N@@H+](C)CC1 ZINC000086833685 179350270 /nfs/dbraw/zinc/35/02/70/179350270.db2.gz YTBYGBRMZDCTDS-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836665 179351256 /nfs/dbraw/zinc/35/12/56/179351256.db2.gz BCPHVCUNPDVSDE-JKSUJKDBSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836665 179351259 /nfs/dbraw/zinc/35/12/59/179351259.db2.gz BCPHVCUNPDVSDE-JKSUJKDBSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836772 179352046 /nfs/dbraw/zinc/35/20/46/179352046.db2.gz VGPZXBRZRPAMNV-CQSZACIVSA-N 2 2 287.411 2.082 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836772 179352050 /nfs/dbraw/zinc/35/20/50/179352050.db2.gz VGPZXBRZRPAMNV-CQSZACIVSA-N 2 2 287.411 2.082 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2nc(C)cs2)CC1 ZINC000086842207 179352879 /nfs/dbraw/zinc/35/28/79/179352879.db2.gz RYGNDZRTLWGMLX-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2nc(C)cs2)CC1 ZINC000086842207 179352880 /nfs/dbraw/zinc/35/28/80/179352880.db2.gz RYGNDZRTLWGMLX-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875065 179365013 /nfs/dbraw/zinc/36/50/13/179365013.db2.gz PSWXQIRYORHVFS-OAHLLOKOSA-N 2 2 256.434 2.498 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOCC2(C)C)CC1 ZINC000086890937 179366493 /nfs/dbraw/zinc/36/64/93/179366493.db2.gz ULCVQTRGYLPKQK-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCOCC2(C)C)CC1 ZINC000086890937 179366495 /nfs/dbraw/zinc/36/64/95/179366495.db2.gz ULCVQTRGYLPKQK-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CCC[C@@H](C[NH3+])C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000087516975 179438776 /nfs/dbraw/zinc/43/87/76/179438776.db2.gz IIYDUSPIPZJJTA-LBPRGKRZSA-N 2 2 272.352 2.186 10 0 CEAELP COc1ccc(C[NH+]2Cc3ccccc3C2)cc1C(N)=[NH2+] ZINC000087827943 179496288 /nfs/dbraw/zinc/49/62/88/179496288.db2.gz XOKUMPMGDHRYHF-UHFFFAOYSA-N 2 2 281.359 2.495 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616620545 348537280 /nfs/dbraw/zinc/53/72/80/348537280.db2.gz LMPJOVZVCSYSJD-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616620545 348537281 /nfs/dbraw/zinc/53/72/81/348537281.db2.gz LMPJOVZVCSYSJD-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)CCc1ccccc1 ZINC000088193554 179562699 /nfs/dbraw/zinc/56/26/99/179562699.db2.gz YWXBLGMQYUVOIS-IRXDYDNUSA-N 2 2 286.423 2.373 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)CCc1ccccc1 ZINC000088193554 179562700 /nfs/dbraw/zinc/56/27/00/179562700.db2.gz YWXBLGMQYUVOIS-IRXDYDNUSA-N 2 2 286.423 2.373 10 0 CEAELP [NH3+]C[C@H]1CCC[C@H]1Nc1ccccc1-n1cc[nH+]c1 ZINC000089148234 179723654 /nfs/dbraw/zinc/72/36/54/179723654.db2.gz TYCNYTNQRAMBQG-CHWSQXEVSA-N 2 2 256.353 2.412 10 0 CEAELP Clc1ccc2[nH+]c(CSCC3C[NH2+]C3)cn2c1 ZINC000090712421 180028606 /nfs/dbraw/zinc/02/86/06/180028606.db2.gz SGPBGSUIPIMWIL-UHFFFAOYSA-N 2 2 267.785 2.440 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1)OC ZINC000090625116 180015842 /nfs/dbraw/zinc/01/58/42/180015842.db2.gz SDTCIXJEMCOFBH-ZDUSSCGKSA-N 2 2 286.803 2.108 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1)OC ZINC000090625116 180015843 /nfs/dbraw/zinc/01/58/43/180015843.db2.gz SDTCIXJEMCOFBH-ZDUSSCGKSA-N 2 2 286.803 2.108 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875333 180050722 /nfs/dbraw/zinc/05/07/22/180050722.db2.gz QJHVDDRGEXRLGH-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875333 180050723 /nfs/dbraw/zinc/05/07/23/180050723.db2.gz QJHVDDRGEXRLGH-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875359 180051265 /nfs/dbraw/zinc/05/12/65/180051265.db2.gz JLNLXWXLGQKZPI-CVEARBPZSA-N 2 2 274.408 2.453 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875359 180051268 /nfs/dbraw/zinc/05/12/68/180051268.db2.gz JLNLXWXLGQKZPI-CVEARBPZSA-N 2 2 274.408 2.453 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892388 180054067 /nfs/dbraw/zinc/05/40/67/180054067.db2.gz SCLHPBYAPPIUIR-IUODEOHRSA-N 2 2 278.371 2.203 10 0 CEAELP Fc1ccc2c(c1)C[C@H](C[NH2+]CCCCn1cc[nH+]c1)O2 ZINC000090892599 180055354 /nfs/dbraw/zinc/05/53/54/180055354.db2.gz IPAVJGYDARJFGR-OAHLLOKOSA-N 2 2 289.354 2.396 10 0 CEAELP Clc1ccc2c(c1)C[C@H](C[NH2+]CCn1cc[nH+]c1)O2 ZINC000090903935 180060077 /nfs/dbraw/zinc/06/00/77/180060077.db2.gz IBSYAZDMUYMRCX-CYBMUJFWSA-N 2 2 277.755 2.130 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907443 180061023 /nfs/dbraw/zinc/06/10/23/180061023.db2.gz YKTGHYCLDJZEJK-ZNMIVQPWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907443 180061025 /nfs/dbraw/zinc/06/10/25/180061025.db2.gz YKTGHYCLDJZEJK-ZNMIVQPWSA-N 2 2 254.418 2.264 10 0 CEAELP CC1(C)CCC(C[NH3+])([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905728 180061078 /nfs/dbraw/zinc/06/10/78/180061078.db2.gz VOIPNMZARQDTPM-BETUJISGSA-N 2 2 252.402 2.147 10 0 CEAELP CC1(C)CCC(C[NH3+])([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905728 180061080 /nfs/dbraw/zinc/06/10/80/180061080.db2.gz VOIPNMZARQDTPM-BETUJISGSA-N 2 2 252.402 2.147 10 0 CEAELP [NH3+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907532 180061699 /nfs/dbraw/zinc/06/16/99/180061699.db2.gz HNQHYZWMGFYKOV-ZOWXZIJZSA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907532 180061700 /nfs/dbraw/zinc/06/17/00/180061700.db2.gz HNQHYZWMGFYKOV-ZOWXZIJZSA-N 2 2 264.344 2.079 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090907971 180061991 /nfs/dbraw/zinc/06/19/91/180061991.db2.gz ANNOUITUKVFTQC-BETUJISGSA-N 2 2 264.369 2.061 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1C ZINC000090907971 180061993 /nfs/dbraw/zinc/06/19/93/180061993.db2.gz ANNOUITUKVFTQC-BETUJISGSA-N 2 2 264.369 2.061 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907553 180062313 /nfs/dbraw/zinc/06/23/13/180062313.db2.gz FPLUPDFRCSWQLG-LZWOXQAQSA-N 2 2 260.381 2.248 10 0 CEAELP Cc1ccccc1[C@@H]([NH3+])CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907553 180062315 /nfs/dbraw/zinc/06/23/15/180062315.db2.gz FPLUPDFRCSWQLG-LZWOXQAQSA-N 2 2 260.381 2.248 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000091272996 180117789 /nfs/dbraw/zinc/11/77/89/180117789.db2.gz MNRLCXVVJZNGJS-TZMCWYRMSA-N 2 2 250.390 2.166 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275395 180118501 /nfs/dbraw/zinc/11/85/01/180118501.db2.gz XOJRNUBQUGKHFJ-WBMJQRKESA-N 2 2 274.412 2.353 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275395 180118503 /nfs/dbraw/zinc/11/85/03/180118503.db2.gz XOJRNUBQUGKHFJ-WBMJQRKESA-N 2 2 274.412 2.353 10 0 CEAELP c1[nH+]cn(C2CC2)c1CN1CC[NH2+]CC12CCCCC2 ZINC000091277096 180120466 /nfs/dbraw/zinc/12/04/66/180120466.db2.gz MIXPKPBRLFADEH-UHFFFAOYSA-N 2 2 274.412 2.326 10 0 CEAELP O[C@H](c1c[nH+]cn1C1CC1)[C@H]1[NH2+]Cc2ccccc21 ZINC000091277438 180120470 /nfs/dbraw/zinc/12/04/70/180120470.db2.gz OYVGVQQWKVKDTA-LSDHHAIUSA-N 2 2 255.321 2.096 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)[N@H+](C)CC1CC(O)C1 ZINC000091450856 180158680 /nfs/dbraw/zinc/15/86/80/180158680.db2.gz JOUOJFUBRJUGDU-MPCAOIJTSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091450856 180158681 /nfs/dbraw/zinc/15/86/81/180158681.db2.gz JOUOJFUBRJUGDU-MPCAOIJTSA-N 2 2 292.423 2.176 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464197 180163056 /nfs/dbraw/zinc/16/30/56/180163056.db2.gz HMVHNTAXYSBWTJ-ADNDVJRGSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091464197 180163058 /nfs/dbraw/zinc/16/30/58/180163058.db2.gz HMVHNTAXYSBWTJ-ADNDVJRGSA-N 2 2 262.397 2.086 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)[N@H+](C)CC1CC(O)C1 ZINC000091464204 180163207 /nfs/dbraw/zinc/16/32/07/180163207.db2.gz SJWKHCYPBDMPTG-OKEQZYBDSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091464204 180163209 /nfs/dbraw/zinc/16/32/09/180163209.db2.gz SJWKHCYPBDMPTG-OKEQZYBDSA-N 2 2 276.424 2.476 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091565071 180193480 /nfs/dbraw/zinc/19/34/80/180193480.db2.gz UPUIZLWKTYJOKU-OAHLLOKOSA-N 3 2 290.455 2.449 10 0 CEAELP COc1c(C)c[nH+]c(C[C@H](O)C2([NH+](C)C)CCCC2)c1C ZINC000091636396 180210934 /nfs/dbraw/zinc/21/09/34/180210934.db2.gz UZZUQFRJVCXQGU-HNNXBMFYSA-N 2 2 292.423 2.485 10 0 CEAELP C[N@@H+]1CCO[C@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717068 180232177 /nfs/dbraw/zinc/23/21/77/180232177.db2.gz SPSDJVYGSVJFIM-GJZGRUSLSA-N 2 2 262.397 2.315 10 0 CEAELP C[N@H+]1CCO[C@H]([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)C1 ZINC000091717068 180232180 /nfs/dbraw/zinc/23/21/80/180232180.db2.gz SPSDJVYGSVJFIM-GJZGRUSLSA-N 2 2 262.397 2.315 10 0 CEAELP CCCn1nccc1[C@@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716122 180232408 /nfs/dbraw/zinc/23/24/08/180232408.db2.gz GECQUXLCIICFRB-CYBMUJFWSA-N 2 2 252.406 2.286 10 0 CEAELP C[N@@H+]1CCO[C@@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723970 180242280 /nfs/dbraw/zinc/24/22/80/180242280.db2.gz BXNUNOSZALPJIG-CQSZACIVSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@@H](c2nc(-c3cccc(C[NH3+])c3)cs2)C1 ZINC000091723970 180242283 /nfs/dbraw/zinc/24/22/83/180242283.db2.gz BXNUNOSZALPJIG-CQSZACIVSA-N 2 2 289.404 2.272 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926465 180287681 /nfs/dbraw/zinc/28/76/81/180287681.db2.gz SQMGMLUIAQPDFD-IRXDYDNUSA-N 2 2 285.391 2.340 10 0 CEAELP CC[NH2+][C@H](CC)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054153 180312897 /nfs/dbraw/zinc/31/28/97/180312897.db2.gz CFMZFUPOXKRWKR-GOEBONIOSA-N 2 2 292.423 2.457 10 0 CEAELP CC[NH2+][C@H](CC)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054153 180312898 /nfs/dbraw/zinc/31/28/98/180312898.db2.gz CFMZFUPOXKRWKR-GOEBONIOSA-N 2 2 292.423 2.457 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000092052484 180313026 /nfs/dbraw/zinc/31/30/26/180313026.db2.gz OMQMWLNEVOWRAV-SOUVJXGZSA-N 2 2 254.418 2.123 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000092052484 180313029 /nfs/dbraw/zinc/31/30/29/180313029.db2.gz OMQMWLNEVOWRAV-SOUVJXGZSA-N 2 2 254.418 2.123 10 0 CEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C[C@H]1C ZINC000092082925 180319599 /nfs/dbraw/zinc/31/95/99/180319599.db2.gz YCKBAHNLPWHJEL-NFAWXSAZSA-N 2 2 290.407 2.436 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092083607 180320287 /nfs/dbraw/zinc/32/02/87/180320287.db2.gz JZSOABACIKELBI-ZOWXZIJZSA-N 2 2 260.381 2.209 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)C[C@H]1C ZINC000092083607 180320289 /nfs/dbraw/zinc/32/02/89/180320289.db2.gz JZSOABACIKELBI-ZOWXZIJZSA-N 2 2 260.381 2.209 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267716 180355475 /nfs/dbraw/zinc/35/54/75/180355475.db2.gz UAPKYUJKYQIUBP-KBPBESRZSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267716 180355478 /nfs/dbraw/zinc/35/54/78/180355478.db2.gz UAPKYUJKYQIUBP-KBPBESRZSA-N 2 2 262.422 2.387 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302621 180359743 /nfs/dbraw/zinc/35/97/43/180359743.db2.gz BKQHPIDFUBFXQG-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302621 180359745 /nfs/dbraw/zinc/35/97/45/180359745.db2.gz BKQHPIDFUBFXQG-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000092339882 180365291 /nfs/dbraw/zinc/36/52/91/180365291.db2.gz JVFGSBPGMGZRLQ-CYBMUJFWSA-N 2 2 251.374 2.113 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000092339882 180365293 /nfs/dbraw/zinc/36/52/93/180365293.db2.gz JVFGSBPGMGZRLQ-CYBMUJFWSA-N 2 2 251.374 2.113 10 0 CEAELP Cc1noc(C)c1[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342414 180366065 /nfs/dbraw/zinc/36/60/65/180366065.db2.gz ZRPHLKPRUQIUMR-RISCZKNCSA-N 2 2 263.385 2.426 10 0 CEAELP Cc1noc(C)c1[C@@H](C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342414 180366067 /nfs/dbraw/zinc/36/60/67/180366067.db2.gz ZRPHLKPRUQIUMR-RISCZKNCSA-N 2 2 263.385 2.426 10 0 CEAELP Nc1cccc(CN2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000092368658 180370385 /nfs/dbraw/zinc/37/03/85/180370385.db2.gz FCIJBGXJFJGKFT-UHFFFAOYSA-N 2 2 274.412 2.114 10 0 CEAELP CCc1nnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)o1 ZINC000105897153 186086166 /nfs/dbraw/zinc/08/61/66/186086166.db2.gz IGSTZPIUFNHBHX-GFCCVEGCSA-N 2 2 289.383 2.228 10 0 CEAELP CCc1nnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)o1 ZINC000105897153 186086168 /nfs/dbraw/zinc/08/61/68/186086168.db2.gz IGSTZPIUFNHBHX-GFCCVEGCSA-N 2 2 289.383 2.228 10 0 CEAELP C[N@H+](Cc1cc(Cl)ccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092417133 180381530 /nfs/dbraw/zinc/38/15/30/180381530.db2.gz AOVROGMEDPWCEJ-ONXXMXGDSA-N 2 2 265.788 2.450 10 0 CEAELP C[N@@H+](Cc1cc(Cl)ccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000092417133 180381532 /nfs/dbraw/zinc/38/15/32/180381532.db2.gz AOVROGMEDPWCEJ-ONXXMXGDSA-N 2 2 265.788 2.450 10 0 CEAELP COc1ccc(C[N@H+](C)CC[NH3+])cc1C(C)(C)C ZINC000107294827 186168235 /nfs/dbraw/zinc/16/82/35/186168235.db2.gz FCDYHQUYELXJDJ-UHFFFAOYSA-N 2 2 250.386 2.383 10 0 CEAELP COc1ccc(C[N@@H+](C)CC[NH3+])cc1C(C)(C)C ZINC000107294827 186168237 /nfs/dbraw/zinc/16/82/37/186168237.db2.gz FCDYHQUYELXJDJ-UHFFFAOYSA-N 2 2 250.386 2.383 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@@H](C)C[C@@H]([NH3+])C3)cc1OC ZINC000107827688 186194556 /nfs/dbraw/zinc/19/45/56/186194556.db2.gz JLUGXNOEJMQCLL-CMPLNLGQSA-N 2 2 287.363 2.402 10 0 CEAELP CCC[N@H+](C[C@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946748 186335655 /nfs/dbraw/zinc/33/56/55/186335655.db2.gz CNFUODOMNYFKDE-CABCVRRESA-N 2 2 282.428 2.136 10 0 CEAELP CCC[N@@H+](C[C@H]1COC2(CCCC2)O1)[C@@H]1CCC[NH2+]C1 ZINC000110946748 186335656 /nfs/dbraw/zinc/33/56/56/186335656.db2.gz CNFUODOMNYFKDE-CABCVRRESA-N 2 2 282.428 2.136 10 0 CEAELP CC1CCC(C[NH3+])([N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000111158777 186362223 /nfs/dbraw/zinc/36/22/23/186362223.db2.gz KSSLHBUABFGEMZ-SHARSMKWSA-N 2 2 254.418 2.252 10 0 CEAELP CC1CCC(C[NH3+])([N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000111158777 186362225 /nfs/dbraw/zinc/36/22/25/186362225.db2.gz KSSLHBUABFGEMZ-SHARSMKWSA-N 2 2 254.418 2.252 10 0 CEAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111159316 186362935 /nfs/dbraw/zinc/36/29/35/186362935.db2.gz MHOPAEOYTFZRPQ-QGZVFWFLSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111159316 186362937 /nfs/dbraw/zinc/36/29/37/186362937.db2.gz MHOPAEOYTFZRPQ-QGZVFWFLSA-N 2 2 292.423 2.444 10 0 CEAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@H]1CCOc2ccccc21 ZINC000111185549 186366308 /nfs/dbraw/zinc/36/63/08/186366308.db2.gz RNLPQYZALFNIJZ-AAEUAGOBSA-N 2 2 257.337 2.107 10 0 CEAELP C[C@@H](c1cccs1)[N@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320946 186396599 /nfs/dbraw/zinc/39/65/99/186396599.db2.gz VYAFFVAYBGWDSK-XQQFMLRXSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H](c1cccs1)[N@@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320946 186396601 /nfs/dbraw/zinc/39/66/01/186396601.db2.gz VYAFFVAYBGWDSK-XQQFMLRXSA-N 2 2 268.426 2.495 10 0 CEAELP Cn1cc[nH+]c1CN1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000111699860 186446097 /nfs/dbraw/zinc/44/60/97/186446097.db2.gz KOTXAKBGHBGEIA-CYBMUJFWSA-N 2 2 264.417 2.020 10 0 CEAELP CCCCOC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155230368 188192096 /nfs/dbraw/zinc/19/20/96/188192096.db2.gz RIONBSJFGILFBN-AWEZNQCLSA-N 2 2 293.411 2.426 10 0 CEAELP CCCCOC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155230368 188192098 /nfs/dbraw/zinc/19/20/98/188192098.db2.gz RIONBSJFGILFBN-AWEZNQCLSA-N 2 2 293.411 2.426 10 0 CEAELP CC1(C)CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384670186 540212857 /nfs/dbraw/zinc/21/28/57/540212857.db2.gz CWAJSYOJAHIVFM-CABCVRRESA-N 2 2 268.445 2.392 10 0 CEAELP CC1(C)CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384670186 540212859 /nfs/dbraw/zinc/21/28/59/540212859.db2.gz CWAJSYOJAHIVFM-CABCVRRESA-N 2 2 268.445 2.392 10 0 CEAELP C[NH2+]C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000079047863 363569547 /nfs/dbraw/zinc/56/95/47/363569547.db2.gz DWDFNSFGZFUMJZ-GFCCVEGCSA-N 2 2 258.369 2.009 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC000177058533 189025622 /nfs/dbraw/zinc/02/56/22/189025622.db2.gz RMCGLDWFIQKNEF-ZDUSSCGKSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000177058533 189025623 /nfs/dbraw/zinc/02/56/23/189025623.db2.gz RMCGLDWFIQKNEF-ZDUSSCGKSA-N 2 2 273.384 2.016 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000019933336 361568686 /nfs/dbraw/zinc/56/86/86/361568686.db2.gz CZSKEZPJKBXMJI-LBPRGKRZSA-N 2 2 254.761 2.142 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000019933336 361568691 /nfs/dbraw/zinc/56/86/91/361568691.db2.gz CZSKEZPJKBXMJI-LBPRGKRZSA-N 2 2 254.761 2.142 10 0 CEAELP CCc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)nc(C)[nH+]1 ZINC000302111113 201346396 /nfs/dbraw/zinc/34/63/96/201346396.db2.gz UGSPDSRYBBXRKH-HUUCEWRRSA-N 2 2 290.411 2.013 10 0 CEAELP CCc1cc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)nc(C)[nH+]1 ZINC000302111113 201346399 /nfs/dbraw/zinc/34/63/99/201346399.db2.gz UGSPDSRYBBXRKH-HUUCEWRRSA-N 2 2 290.411 2.013 10 0 CEAELP C[C@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000631839572 367580269 /nfs/dbraw/zinc/58/02/69/367580269.db2.gz HUXUZAVCSGJERI-QWRGUYRKSA-N 2 2 278.787 2.014 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000631839572 367580275 /nfs/dbraw/zinc/58/02/75/367580275.db2.gz HUXUZAVCSGJERI-QWRGUYRKSA-N 2 2 278.787 2.014 10 0 CEAELP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182933762 368599183 /nfs/dbraw/zinc/59/91/83/368599183.db2.gz IWPBASLFPOHIFD-RBSFLKMASA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000182933762 368599186 /nfs/dbraw/zinc/59/91/86/368599186.db2.gz IWPBASLFPOHIFD-RBSFLKMASA-N 2 2 254.418 2.075 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183712661 368644160 /nfs/dbraw/zinc/64/41/60/368644160.db2.gz XHZQUAAHOBDPTF-STQMWFEESA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)OC(C)(C)C)C1 ZINC000183712661 368644167 /nfs/dbraw/zinc/64/41/67/368644167.db2.gz XHZQUAAHOBDPTF-STQMWFEESA-N 2 2 270.417 2.181 10 0 CEAELP CCc1nnc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)[nH]1 ZINC000189916114 369578954 /nfs/dbraw/zinc/57/89/54/369578954.db2.gz YBENLFFDSWTSHY-GFCCVEGCSA-N 2 2 296.378 2.404 10 0 CEAELP O[C@H](C[NH2+]Cc1cc(Cl)cs1)C[NH+]1CCCCC1 ZINC000193036987 369885185 /nfs/dbraw/zinc/88/51/85/369885185.db2.gz PDKVEYAVBYDYLQ-GFCCVEGCSA-N 2 2 288.844 2.338 10 0 CEAELP CC(C)OCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273329 370121145 /nfs/dbraw/zinc/12/11/45/370121145.db2.gz YZIJPBLWHUZVEH-QGZVFWFLSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273329 370121151 /nfs/dbraw/zinc/12/11/51/370121151.db2.gz YZIJPBLWHUZVEH-QGZVFWFLSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273329 370121157 /nfs/dbraw/zinc/12/11/57/370121157.db2.gz YZIJPBLWHUZVEH-QGZVFWFLSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273329 370121162 /nfs/dbraw/zinc/12/11/62/370121162.db2.gz YZIJPBLWHUZVEH-QGZVFWFLSA-N 2 2 291.439 2.260 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000235712576 370576256 /nfs/dbraw/zinc/57/62/56/370576256.db2.gz DJTOWZQEFMHJOM-NHYWBVRUSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c2ccccc2n1 ZINC000235712576 370576260 /nfs/dbraw/zinc/57/62/60/370576260.db2.gz DJTOWZQEFMHJOM-NHYWBVRUSA-N 2 2 255.365 2.322 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1cc(Br)cs1 ZINC000250628633 371387522 /nfs/dbraw/zinc/38/75/22/371387522.db2.gz QQXGALQCTGPRTA-XCBNKYQSSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1cc(Br)cs1 ZINC000250628633 371387527 /nfs/dbraw/zinc/38/75/27/371387527.db2.gz QQXGALQCTGPRTA-XCBNKYQSSA-N 2 2 275.215 2.462 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662482 371695366 /nfs/dbraw/zinc/69/53/66/371695366.db2.gz FFOBKGVELHJXLS-CYZMBNFOSA-N 2 2 273.336 2.104 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662482 371695367 /nfs/dbraw/zinc/69/53/67/371695367.db2.gz FFOBKGVELHJXLS-CYZMBNFOSA-N 2 2 273.336 2.104 10 0 CEAELP CC(C)n1cc[nH+]c1Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641051850 372258606 /nfs/dbraw/zinc/25/86/06/372258606.db2.gz SJUBNUSMCCYHOB-ZDUSSCGKSA-N 2 2 276.388 2.150 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000389533508 375305203 /nfs/dbraw/zinc/30/52/03/375305203.db2.gz IUFBAIKEFAMWLC-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000389533508 375305208 /nfs/dbraw/zinc/30/52/08/375305208.db2.gz IUFBAIKEFAMWLC-CZUORRHYSA-N 2 2 260.381 2.366 10 0 CEAELP CCC[C@@](C)([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000262720484 190061159 /nfs/dbraw/zinc/06/11/59/190061159.db2.gz ZHBVRVJKKLANAQ-MRXNPFEDSA-N 2 2 293.411 2.183 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccccn23)c[nH+]1 ZINC000188409913 542321411 /nfs/dbraw/zinc/32/14/11/542321411.db2.gz MPGMKOOMGCZAPX-AWEZNQCLSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cnc3ccccn23)c[nH+]1 ZINC000188409913 542321415 /nfs/dbraw/zinc/32/14/15/542321415.db2.gz MPGMKOOMGCZAPX-AWEZNQCLSA-N 2 2 281.363 2.195 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000093488512 184683180 /nfs/dbraw/zinc/68/31/80/184683180.db2.gz MMDKETBJCVBJNZ-TWMKSMIVSA-N 3 2 281.488 2.473 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H]1CCC[C@@]([NH3+])(CO)C1 ZINC000093784036 184721045 /nfs/dbraw/zinc/72/10/45/184721045.db2.gz GJKCIBLVBKSPIK-LRDDRELGSA-N 2 2 273.380 2.404 10 0 CEAELP C[NH2+][C@@H](Cc1[nH+]ccn1C)Cc1ccc(Cl)cc1 ZINC000094145187 184756395 /nfs/dbraw/zinc/75/63/95/184756395.db2.gz HQQIEZGZVHJSPM-CYBMUJFWSA-N 2 2 263.772 2.447 10 0 CEAELP C[C@H]1CC(c2ccc3c(c2)CCCN3C)=[NH+]NC1=[NH2+] ZINC000084240059 135033081 /nfs/dbraw/zinc/03/30/81/135033081.db2.gz HWCCVVOLSZFGOR-JTQLQIEISA-N 2 2 256.353 2.170 10 0 CEAELP C[C@@H]1CC(=[NH2+])N[NH+]=C1c1ccc2c(c1)CCCN2C ZINC000084239804 135033153 /nfs/dbraw/zinc/03/31/53/135033153.db2.gz ZVUAGFPJCDNHAS-SNVBAGLBSA-N 2 2 256.353 2.170 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000091402493 135069027 /nfs/dbraw/zinc/06/90/27/135069027.db2.gz VSTCYVCZJRDJKD-OAHLLOKOSA-N 2 2 290.455 2.228 10 0 CEAELP C[N@@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000092055893 135075289 /nfs/dbraw/zinc/07/52/89/135075289.db2.gz WGEMMRUKLGTPQE-KRWDZBQOSA-N 2 2 289.423 2.419 10 0 CEAELP C[N@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000092055893 135075290 /nfs/dbraw/zinc/07/52/90/135075290.db2.gz WGEMMRUKLGTPQE-KRWDZBQOSA-N 2 2 289.423 2.419 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000178331299 165234607 /nfs/dbraw/zinc/23/46/07/165234607.db2.gz QZOYVLUDVVPCLW-OAHLLOKOSA-N 2 2 256.353 2.251 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000178331299 165234609 /nfs/dbraw/zinc/23/46/09/165234609.db2.gz QZOYVLUDVVPCLW-OAHLLOKOSA-N 2 2 256.353 2.251 10 0 CEAELP CCn1ccnc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178309846 165235408 /nfs/dbraw/zinc/23/54/08/165235408.db2.gz JTCJQYNCEWXKNJ-CQSZACIVSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1ccnc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178309846 165235417 /nfs/dbraw/zinc/23/54/17/165235417.db2.gz JTCJQYNCEWXKNJ-CQSZACIVSA-N 2 2 273.384 2.073 10 0 CEAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226390 171092211 /nfs/dbraw/zinc/09/22/11/171092211.db2.gz YQBCTMZCTPPOEW-ZDUSSCGKSA-N 2 2 278.396 2.436 10 0 CEAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226390 171092213 /nfs/dbraw/zinc/09/22/13/171092213.db2.gz YQBCTMZCTPPOEW-ZDUSSCGKSA-N 2 2 278.396 2.436 10 0 CEAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303465 171140150 /nfs/dbraw/zinc/14/01/50/171140150.db2.gz PJBDCMUESFMDMC-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303465 171140151 /nfs/dbraw/zinc/14/01/51/171140151.db2.gz PJBDCMUESFMDMC-GOSISDBHSA-N 2 2 281.403 2.488 10 0 CEAELP C[NH+](C)[C@H](C[NH3+])COc1ccccc1C(C)(C)C ZINC000020400050 171181408 /nfs/dbraw/zinc/18/14/08/171181408.db2.gz WURCJYJUKSOUPW-GFCCVEGCSA-N 2 2 250.386 2.252 10 0 CEAELP COc1ccc([C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1OC ZINC000022049890 171350790 /nfs/dbraw/zinc/35/07/90/171350790.db2.gz ZWKSCGWONBFEEZ-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc([C@H](C)[N@H+]2CCC[NH2+]CC2)cc1OC ZINC000022049890 171350792 /nfs/dbraw/zinc/35/07/92/171350792.db2.gz ZWKSCGWONBFEEZ-LBPRGKRZSA-N 2 2 264.369 2.060 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221705 173042394 /nfs/dbraw/zinc/04/23/94/173042394.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 3 2 269.477 2.283 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000037221705 173042396 /nfs/dbraw/zinc/04/23/96/173042396.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 3 2 269.477 2.283 10 0 CEAELP Cc1nc2sccn2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000037249260 173061301 /nfs/dbraw/zinc/06/13/01/173061301.db2.gz XAQALDMSBSCVTK-UHFFFAOYSA-N 2 2 275.381 2.081 10 0 CEAELP COC1CC[NH+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000037266486 173076482 /nfs/dbraw/zinc/07/64/82/173076482.db2.gz RWDBMAWOASZXLZ-YDHLFZDLSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@H](C[NH2+][C@@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041604 174043490 /nfs/dbraw/zinc/04/34/90/174043490.db2.gz NUCOFZMDKUDUMJ-OLZOCXBDSA-N 2 2 250.390 2.182 10 0 CEAELP CC(C)c1ccc([C@H](CO)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038117452 174127447 /nfs/dbraw/zinc/12/74/47/174127447.db2.gz WBYKYIPRACIOON-INIZCTEOSA-N 2 2 262.397 2.139 10 0 CEAELP CC(C)c1ccc([C@H](CO)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038117452 174127449 /nfs/dbraw/zinc/12/74/49/174127449.db2.gz WBYKYIPRACIOON-INIZCTEOSA-N 2 2 262.397 2.139 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2ccncc2)[nH+]1 ZINC000040509447 174303419 /nfs/dbraw/zinc/30/34/19/174303419.db2.gz UBGQZQRALQXELJ-UHFFFAOYSA-N 2 2 256.353 2.189 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2[nH+]ccn2C)CC1 ZINC000040639030 174363318 /nfs/dbraw/zinc/36/33/18/174363318.db2.gz VAOIESVKNQYVCQ-CQSZACIVSA-N 3 2 278.444 2.063 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000040671517 174369851 /nfs/dbraw/zinc/36/98/51/174369851.db2.gz KDJGXOJDFHDAGK-MSOLQXFVSA-N 2 2 288.435 2.462 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000040671517 174369852 /nfs/dbraw/zinc/36/98/52/174369852.db2.gz KDJGXOJDFHDAGK-MSOLQXFVSA-N 2 2 288.435 2.462 10 0 CEAELP COc1ccc(OC)c([C@@H]([NH3+])C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000040717988 174384813 /nfs/dbraw/zinc/38/48/13/174384813.db2.gz SHDVGJLTGUBQBL-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc(OC)c([C@@H]([NH3+])C[N@H+]2CC[C@@H](C)C2)c1 ZINC000040717988 174384814 /nfs/dbraw/zinc/38/48/14/174384814.db2.gz SHDVGJLTGUBQBL-RISCZKNCSA-N 2 2 264.369 2.045 10 0 CEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCCC1 ZINC000121060425 414785690 /nfs/dbraw/zinc/78/56/90/414785690.db2.gz VMFSIVHZBISXEX-KRWDZBQOSA-N 2 2 276.424 2.355 10 0 CEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCCC1 ZINC000121060425 414785695 /nfs/dbraw/zinc/78/56/95/414785695.db2.gz VMFSIVHZBISXEX-KRWDZBQOSA-N 2 2 276.424 2.355 10 0 CEAELP CCOC1CC[NH+]([C@H](c2ccccn2)[C@H]([NH3+])CC)CC1 ZINC000043339693 175013606 /nfs/dbraw/zinc/01/36/06/175013606.db2.gz FOLUUDUGQFUADP-ZBFHGGJFSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340855 175014679 /nfs/dbraw/zinc/01/46/79/175014679.db2.gz QBCOUFXXIUMOAL-NVXWUHKLSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340855 175014680 /nfs/dbraw/zinc/01/46/80/175014680.db2.gz QBCOUFXXIUMOAL-NVXWUHKLSA-N 2 2 291.439 2.487 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340847 175014848 /nfs/dbraw/zinc/01/48/48/175014848.db2.gz KGILPGZHJAXIMN-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340847 175014849 /nfs/dbraw/zinc/01/48/49/175014849.db2.gz KGILPGZHJAXIMN-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP C[NH2+][C@H](C[N@H+](CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970835 175131945 /nfs/dbraw/zinc/13/19/45/175131945.db2.gz AWWBMJJWFQVGIX-QGZVFWFLSA-N 2 2 294.439 2.240 10 0 CEAELP C[NH2+][C@H](C[N@@H+](CCCOC)CCOC)c1ccc(C)cc1 ZINC000043970835 175131947 /nfs/dbraw/zinc/13/19/47/175131947.db2.gz AWWBMJJWFQVGIX-QGZVFWFLSA-N 2 2 294.439 2.240 10 0 CEAELP CCC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367938 175363041 /nfs/dbraw/zinc/36/30/41/175363041.db2.gz NPLVBHHOHWIUQY-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[NH2+][C@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367938 175363042 /nfs/dbraw/zinc/36/30/42/175363042.db2.gz NPLVBHHOHWIUQY-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC000045375007 175365998 /nfs/dbraw/zinc/36/59/98/175365998.db2.gz KMHZGELPXMVXCY-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CCOC(=O)C[N@H+](C[C@@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941111 176014594 /nfs/dbraw/zinc/01/45/94/176014594.db2.gz JBTCZQCWHPAUPR-OAHLLOKOSA-N 2 2 278.396 2.002 10 0 CEAELP CCOC(=O)C[N@@H+](C[C@@H](C[NH3+])c1ccccc1)C(C)C ZINC000070941111 176014595 /nfs/dbraw/zinc/01/45/95/176014595.db2.gz JBTCZQCWHPAUPR-OAHLLOKOSA-N 2 2 278.396 2.002 10 0 CEAELP C[N@@H+](Cc1ccnc(Cl)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071189077 176064237 /nfs/dbraw/zinc/06/42/37/176064237.db2.gz LRINFOJDACASKD-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1ccnc(Cl)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071189077 176064238 /nfs/dbraw/zinc/06/42/38/176064238.db2.gz LRINFOJDACASKD-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccnc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189077 176064239 /nfs/dbraw/zinc/06/42/39/176064239.db2.gz LRINFOJDACASKD-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccnc(Cl)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189077 176064240 /nfs/dbraw/zinc/06/42/40/176064240.db2.gz LRINFOJDACASKD-GFCCVEGCSA-N 2 2 253.777 2.119 10 0 CEAELP Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000071191225 176069490 /nfs/dbraw/zinc/06/94/90/176069490.db2.gz LPKWPZKBDAJKSO-HNNXBMFYSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000071191225 176069492 /nfs/dbraw/zinc/06/94/92/176069492.db2.gz LPKWPZKBDAJKSO-HNNXBMFYSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071191225 176069493 /nfs/dbraw/zinc/06/94/93/176069493.db2.gz LPKWPZKBDAJKSO-HNNXBMFYSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000071191225 176069494 /nfs/dbraw/zinc/06/94/94/176069494.db2.gz LPKWPZKBDAJKSO-HNNXBMFYSA-N 2 2 274.408 2.451 10 0 CEAELP C[N@H+](CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191265 176070429 /nfs/dbraw/zinc/07/04/29/176070429.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[N@@H+](CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191265 176070430 /nfs/dbraw/zinc/07/04/30/176070430.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191265 176070432 /nfs/dbraw/zinc/07/04/32/176070432.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191265 176070434 /nfs/dbraw/zinc/07/04/34/176070434.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP CC[N@H+](Cc1cn(C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000071312307 176119153 /nfs/dbraw/zinc/11/91/53/176119153.db2.gz VWHJDUDEXXJYJB-CQSZACIVSA-N 2 2 257.381 2.362 10 0 CEAELP CC[N@@H+](Cc1cn(C)c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000071312307 176119154 /nfs/dbraw/zinc/11/91/54/176119154.db2.gz VWHJDUDEXXJYJB-CQSZACIVSA-N 2 2 257.381 2.362 10 0 CEAELP Cc1ccc(OCCn2cc[nH+]c2)c(C[C@@H](C)[NH3+])c1 ZINC000071411877 176157491 /nfs/dbraw/zinc/15/74/91/176157491.db2.gz HZJUJFDEDUOFBV-CYBMUJFWSA-N 2 2 259.353 2.160 10 0 CEAELP CCc1cc(Cn2c[nH+]c(CC[NH3+])c2)ccc1OC ZINC000071585432 176211034 /nfs/dbraw/zinc/21/10/34/176211034.db2.gz BEDRCIJTOBRWNV-UHFFFAOYSA-N 2 2 259.353 2.004 10 0 CEAELP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000044532959 270229673 /nfs/dbraw/zinc/22/96/73/270229673.db2.gz AYIWNZONIAVUDA-DZGCQCFKSA-N 2 2 287.407 2.026 10 0 CEAELP CN1c2ccccc2[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000044532959 270229675 /nfs/dbraw/zinc/22/96/75/270229675.db2.gz AYIWNZONIAVUDA-DZGCQCFKSA-N 2 2 287.407 2.026 10 0 CEAELP CC[N@H+](C)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302825611 276077449 /nfs/dbraw/zinc/07/74/49/276077449.db2.gz MLHGCOLUEIGFMT-CYBMUJFWSA-N 2 2 274.412 2.194 10 0 CEAELP CC[N@@H+](C)[C@@H]1CCN(c2nc(C)[nH+]c3c2CCCC3)C1 ZINC000302825611 276077452 /nfs/dbraw/zinc/07/74/52/276077452.db2.gz MLHGCOLUEIGFMT-CYBMUJFWSA-N 2 2 274.412 2.194 10 0 CEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC(C)(C)C1 ZINC000252093793 278026857 /nfs/dbraw/zinc/02/68/57/278026857.db2.gz HMKJGIHWGKGELZ-ILXRZTDVSA-N 2 2 267.461 2.037 10 0 CEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC(C)(C)C1 ZINC000252093793 278026859 /nfs/dbraw/zinc/02/68/59/278026859.db2.gz HMKJGIHWGKGELZ-ILXRZTDVSA-N 2 2 267.461 2.037 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887095 322351620 /nfs/dbraw/zinc/35/16/20/322351620.db2.gz AESNDXGORFSZBG-KBMXLJTQSA-N 3 2 269.477 2.331 10 0 CEAELP CC[NH2+]CC(=O)OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000309929080 333051450 /nfs/dbraw/zinc/05/14/50/333051450.db2.gz VELKINIPZAKKLA-UHFFFAOYSA-N 2 2 290.407 2.051 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@@H+]2CCOC(C)(C)C2)on1 ZINC000052481817 518762548 /nfs/dbraw/zinc/76/25/48/518762548.db2.gz VGLGQVNHDHQLGD-UHFFFAOYSA-N 2 2 281.400 2.174 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[N@H+]2CCOC(C)(C)C2)on1 ZINC000052481817 518762556 /nfs/dbraw/zinc/76/25/56/518762556.db2.gz VGLGQVNHDHQLGD-UHFFFAOYSA-N 2 2 281.400 2.174 10 0 CEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC000052178380 518921525 /nfs/dbraw/zinc/92/15/25/518921525.db2.gz VRURKNFAMWSESO-CQSZACIVSA-N 2 2 265.401 2.314 10 0 CEAELP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419884 519721005 /nfs/dbraw/zinc/72/10/05/519721005.db2.gz ZVKMREPYLQDDGM-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+]CCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419884 519721006 /nfs/dbraw/zinc/72/10/06/519721006.db2.gz ZVKMREPYLQDDGM-CQSZACIVSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000051216965 519743015 /nfs/dbraw/zinc/74/30/15/519743015.db2.gz YHBOQNNCPFAWLJ-KGLIPLIRSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000051216965 519743018 /nfs/dbraw/zinc/74/30/18/519743018.db2.gz YHBOQNNCPFAWLJ-KGLIPLIRSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036417 519744491 /nfs/dbraw/zinc/74/44/91/519744491.db2.gz FVHBYDUSFVEQTH-MRXNPFEDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+]C[C@@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000061219068 519944662 /nfs/dbraw/zinc/94/46/62/519944662.db2.gz INGNFUHWPBHEKT-SECBINFHSA-N 2 2 261.325 2.047 10 0 CEAELP CC[NH2+]C[C@H](C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417253 519957411 /nfs/dbraw/zinc/95/74/11/519957411.db2.gz VQUXTRSVFRJNLD-QGZVFWFLSA-N 2 2 275.440 2.443 10 0 CEAELP CC[NH2+][C@H](CC[C@H]1CCCCO1)Cc1[nH]cc[nH+]1 ZINC000069391986 520194655 /nfs/dbraw/zinc/19/46/55/520194655.db2.gz YFOPCKXYFYCWOY-CHWSQXEVSA-N 2 2 251.374 2.280 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237395 520966095 /nfs/dbraw/zinc/96/60/95/520966095.db2.gz KYKYLKJKEHSMEO-CQSZACIVSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1cccc(OC)c1OC ZINC000069237395 520966100 /nfs/dbraw/zinc/96/61/00/520966100.db2.gz KYKYLKJKEHSMEO-CQSZACIVSA-N 2 2 278.396 2.436 10 0 CEAELP CCN(Cc1[nH+]ccn1CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054743830 521461938 /nfs/dbraw/zinc/46/19/38/521461938.db2.gz KXNDJKLGLPUJTF-PBWFPOADSA-N 2 2 262.401 2.008 10 0 CEAELP CCC1(CC)CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068693192 521690406 /nfs/dbraw/zinc/69/04/06/521690406.db2.gz DCPMGBPAOFOQBX-UHFFFAOYSA-N 2 2 272.396 2.298 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCO1 ZINC000052203707 521952170 /nfs/dbraw/zinc/95/21/70/521952170.db2.gz FKXISJBXLFHBTJ-HOCLYGCPSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCO1 ZINC000052203707 521952178 /nfs/dbraw/zinc/95/21/78/521952178.db2.gz FKXISJBXLFHBTJ-HOCLYGCPSA-N 2 2 262.397 2.360 10 0 CEAELP C[NH2+]Cc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000052420412 522150903 /nfs/dbraw/zinc/15/09/03/522150903.db2.gz FNUWKYHNQVHJJY-QWRGUYRKSA-N 2 2 253.415 2.340 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1ccc(NN)[nH+]c1 ZINC000062808107 522503539 /nfs/dbraw/zinc/50/35/39/522503539.db2.gz OQSZSSXXPDELHW-UHFFFAOYSA-N 2 2 267.336 2.328 10 0 CEAELP COC(=O)[C@](C)([NH3+])C[C@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000068649043 524002886 /nfs/dbraw/zinc/00/28/86/524002886.db2.gz HJTJFRPLMGOKNG-BLLLJJGKSA-N 2 2 287.363 2.392 10 0 CEAELP C[NH+](C)C1CC[NH+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052477647 524040203 /nfs/dbraw/zinc/04/02/03/524040203.db2.gz ZVJCMSFXFQPUBQ-UHFFFAOYSA-N 3 2 287.407 2.418 10 0 CEAELP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000049557734 524162978 /nfs/dbraw/zinc/16/29/78/524162978.db2.gz RLAXPUQNLWAJII-LLVKDONJSA-N 2 2 283.803 2.208 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000049150486 524595985 /nfs/dbraw/zinc/59/59/85/524595985.db2.gz LFAAYEYBTKPVNZ-SWLSCSKDSA-N 2 2 260.381 2.453 10 0 CEAELP C[C@@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cc(Cl)ccc21 ZINC000049510204 524630136 /nfs/dbraw/zinc/63/01/36/524630136.db2.gz CABDVZMPNNBUNK-JTQLQIEISA-N 2 2 294.786 2.165 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757503 524838480 /nfs/dbraw/zinc/83/84/80/524838480.db2.gz IZWHFTXTYRQDBI-SCRDCRAPSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757503 524838490 /nfs/dbraw/zinc/83/84/90/524838490.db2.gz IZWHFTXTYRQDBI-SCRDCRAPSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H](C[C@@](C)([NH3+])C(N)=O)[NH+]1CCC2(CCCCC2)CC1 ZINC000068643028 524853318 /nfs/dbraw/zinc/85/33/18/524853318.db2.gz VPGVCPQRJUHDLN-DZGCQCFKSA-N 2 2 281.444 2.014 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000068631956 524864239 /nfs/dbraw/zinc/86/42/39/524864239.db2.gz QFZOHWJAGWMVPA-CXUGXGMPSA-N 2 2 295.471 2.272 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000068631956 524864245 /nfs/dbraw/zinc/86/42/45/524864245.db2.gz QFZOHWJAGWMVPA-CXUGXGMPSA-N 2 2 295.471 2.272 10 0 CEAELP C[C@@H]([NH3+])c1cc(F)ccc1N(C)Cc1[nH+]ccn1C ZINC000062252990 525024315 /nfs/dbraw/zinc/02/43/15/525024315.db2.gz KIQDNIMTMDEHCM-SNVBAGLBSA-N 2 2 262.332 2.215 10 0 CEAELP Cc1cc(N)c[nH+]c1N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052812233 525038838 /nfs/dbraw/zinc/03/88/38/525038838.db2.gz ZSUUOKSMUPDORA-MRXNPFEDSA-N 2 2 282.391 2.465 10 0 CEAELP Cc1cc(N)c[nH+]c1N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052812233 525038847 /nfs/dbraw/zinc/03/88/47/525038847.db2.gz ZSUUOKSMUPDORA-MRXNPFEDSA-N 2 2 282.391 2.465 10 0 CEAELP COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CC[NH+](C)C)CCO2 ZINC000049554315 525578325 /nfs/dbraw/zinc/57/83/25/525578325.db2.gz CDPGPAGYEWXLGT-DOMZBBRYSA-N 2 2 278.396 2.449 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068628378 525649654 /nfs/dbraw/zinc/64/96/54/525649654.db2.gz WCYWLBQWWHPOJA-ZMSDIMECSA-N 3 2 281.488 2.414 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757607 525889310 /nfs/dbraw/zinc/88/93/10/525889310.db2.gz ZUGYRBFUBUEXHP-OLZOCXBDSA-N 2 2 268.426 2.293 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757607 525889318 /nfs/dbraw/zinc/88/93/18/525889318.db2.gz ZUGYRBFUBUEXHP-OLZOCXBDSA-N 2 2 268.426 2.293 10 0 CEAELP COc1cccc(C[N@H+](C)[C@]2(C[NH3+])CCCSC2)c1 ZINC000061590133 525916304 /nfs/dbraw/zinc/91/63/04/525916304.db2.gz GXWITYNOONFZBT-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@]2(C[NH3+])CCCSC2)c1 ZINC000061590133 525916316 /nfs/dbraw/zinc/91/63/16/525916316.db2.gz GXWITYNOONFZBT-HNNXBMFYSA-N 2 2 280.437 2.352 10 0 CEAELP Cc1[nH+]c2cc(N)ccc2n1[C@H](C)Cn1cc[nH+]c1 ZINC000052855113 527123124 /nfs/dbraw/zinc/12/31/24/527123124.db2.gz RIFIJMDUNNNONR-SNVBAGLBSA-N 2 2 255.325 2.385 10 0 CEAELP [NH3+]Cc1ccoc1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052417115 527262759 /nfs/dbraw/zinc/26/27/59/527262759.db2.gz OJRRALZEMUTIAK-UHFFFAOYSA-N 2 2 285.391 2.056 10 0 CEAELP Cc1nc(N2CCCC[C@H]2C[NH2+]CC(C)C)cc[nH+]1 ZINC000054937633 527344667 /nfs/dbraw/zinc/34/46/67/527344667.db2.gz NAASPJMKRGLDHS-AWEZNQCLSA-N 2 2 262.401 2.390 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@H](C)[NH2+]C[C@@H]1C1CCCCC1 ZINC000068699267 527426398 /nfs/dbraw/zinc/42/63/98/527426398.db2.gz GMXBUROLKMBLBU-WMLDXEAASA-N 2 2 290.455 2.434 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699267 527426401 /nfs/dbraw/zinc/42/64/01/527426401.db2.gz GMXBUROLKMBLBU-WMLDXEAASA-N 2 2 290.455 2.434 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699267 527426408 /nfs/dbraw/zinc/42/64/08/527426408.db2.gz GMXBUROLKMBLBU-WMLDXEAASA-N 2 2 290.455 2.434 10 0 CEAELP CC(C)n1c[nH+]cc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000090237058 535102522 /nfs/dbraw/zinc/10/25/22/535102522.db2.gz KCLFJJBLBIAZHY-AWEZNQCLSA-N 2 2 270.380 2.354 10 0 CEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016535 639519063 /nfs/dbraw/zinc/51/90/63/639519063.db2.gz FZJIVXXITAPSLS-KGLIPLIRSA-N 2 2 297.443 2.070 10 0 CEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000226016535 639519067 /nfs/dbraw/zinc/51/90/67/639519067.db2.gz FZJIVXXITAPSLS-KGLIPLIRSA-N 2 2 297.443 2.070 10 0 CEAELP Fc1ccc(-n2c[nH+]cc2C2C[NH2+]C2)c(Cl)c1 ZINC000097007062 185150730 /nfs/dbraw/zinc/15/07/30/185150730.db2.gz LUTBAHAREMKMKN-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP Brc1ccccc1Cn1c[nH+]cc1C1C[NH2+]C1 ZINC000097020930 185152781 /nfs/dbraw/zinc/15/27/81/185152781.db2.gz NWKNZRXOOXSYLR-UHFFFAOYSA-N 2 2 292.180 2.381 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000131837008 539263939 /nfs/dbraw/zinc/26/39/39/539263939.db2.gz VFNMTJZPSBGGPX-LBPRGKRZSA-N 2 2 254.374 2.341 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCSc1ccc(F)cc1 ZINC000131837008 539263940 /nfs/dbraw/zinc/26/39/40/539263940.db2.gz VFNMTJZPSBGGPX-LBPRGKRZSA-N 2 2 254.374 2.341 10 0 CEAELP O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000037321167 343426718 /nfs/dbraw/zinc/42/67/18/343426718.db2.gz IMQVRBTZYANTST-GOEBONIOSA-N 2 2 271.364 2.265 10 0 CEAELP Clc1cccc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000038956741 343434819 /nfs/dbraw/zinc/43/48/19/343434819.db2.gz XYOIJBNAAKEXEN-HNNXBMFYSA-N 2 2 279.815 2.436 10 0 CEAELP CC[NH+]1CCN(c2cc(C)c3cc(N)ccc3[nH+]2)CC1 ZINC000168698680 344480910 /nfs/dbraw/zinc/48/09/10/344480910.db2.gz KCTWLQGNSLMOGU-UHFFFAOYSA-N 2 2 270.380 2.267 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000399009665 344856190 /nfs/dbraw/zinc/85/61/90/344856190.db2.gz WRWAUYDCFFWIMP-GFCCVEGCSA-N 2 2 282.815 2.447 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cc(F)ccc1F ZINC000399247327 344858089 /nfs/dbraw/zinc/85/80/89/344858089.db2.gz KKQVMYZMQBXRBO-NSHDSACASA-N 2 2 284.350 2.072 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000399278046 344858123 /nfs/dbraw/zinc/85/81/23/344858123.db2.gz WPESCLMTRBMSPX-NSHDSACASA-N 2 2 284.350 2.072 10 0 CEAELP [NH3+]CCCc1[nH+]c2ccccc2n1C[C@H]1CCCO1 ZINC000053994566 362503137 /nfs/dbraw/zinc/50/31/37/362503137.db2.gz PCJCRIMNPZBFLV-GFCCVEGCSA-N 2 2 259.353 2.107 10 0 CEAELP C[NH2+][C@H](C)C[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000084390604 178878789 /nfs/dbraw/zinc/87/87/89/178878789.db2.gz KNGWIACFOOUMHH-CABCVRRESA-N 3 2 267.461 2.323 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)C1(C)C ZINC000085397869 179050363 /nfs/dbraw/zinc/05/03/63/179050363.db2.gz WWEGHORDAXBGNS-MELADBBJSA-N 2 2 256.434 2.366 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000085611309 179102821 /nfs/dbraw/zinc/10/28/21/179102821.db2.gz LYFLUDQQEVMABG-OAHLLOKOSA-N 2 2 264.417 2.113 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000085611309 179102822 /nfs/dbraw/zinc/10/28/22/179102822.db2.gz LYFLUDQQEVMABG-OAHLLOKOSA-N 2 2 264.417 2.113 10 0 CEAELP COc1ccc(C[N@@H+]2C[C@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619944 179105574 /nfs/dbraw/zinc/10/55/74/179105574.db2.gz USVRYKULQCJEDO-STQMWFEESA-N 2 2 278.396 2.276 10 0 CEAELP COc1ccc(C[N@H+]2C[C@H](C)[NH2+]CC[C@@H]2C)cc1OC ZINC000085619944 179105577 /nfs/dbraw/zinc/10/55/77/179105577.db2.gz USVRYKULQCJEDO-STQMWFEESA-N 2 2 278.396 2.276 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@@H+]2CC(C)(C)[NH2+]CC[C@@H]2C)C1 ZINC000085622621 179105808 /nfs/dbraw/zinc/10/58/08/179105808.db2.gz ZFRMWNGVHZNUBC-MJBXVCDLSA-N 2 2 254.418 2.406 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@H+]2CC(C)(C)[NH2+]CC[C@@H]2C)C1 ZINC000085622621 179105810 /nfs/dbraw/zinc/10/58/10/179105810.db2.gz ZFRMWNGVHZNUBC-MJBXVCDLSA-N 2 2 254.418 2.406 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675493 179112377 /nfs/dbraw/zinc/11/23/77/179112377.db2.gz KJURBNAPIVFZMK-XQLPTFJDSA-N 2 2 268.445 2.366 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675489 179112712 /nfs/dbraw/zinc/11/27/12/179112712.db2.gz KJURBNAPIVFZMK-YJNKXOJESA-N 2 2 268.445 2.366 10 0 CEAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634995 179109235 /nfs/dbraw/zinc/10/92/35/179109235.db2.gz XYPFJWAYTZCRGO-QPSCCSFWSA-N 2 2 266.429 2.264 10 0 CEAELP CC[NH2+][C@H](CCO)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000085921699 179200450 /nfs/dbraw/zinc/20/04/50/179200450.db2.gz COUJEJISWOZUDO-GOSISDBHSA-N 2 2 290.451 2.302 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218825 179250344 /nfs/dbraw/zinc/25/03/44/179250344.db2.gz JOTITVBWUOLDKB-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C1CCOCC1 ZINC000086218825 179250346 /nfs/dbraw/zinc/25/03/46/179250346.db2.gz JOTITVBWUOLDKB-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CCC[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264885 179260921 /nfs/dbraw/zinc/26/09/21/179260921.db2.gz YMSIWJDJIAVZHT-KGLIPLIRSA-N 2 2 264.417 2.019 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)s1 ZINC000086289961 179264924 /nfs/dbraw/zinc/26/49/24/179264924.db2.gz SCWAREJHIWDYNT-CYBMUJFWSA-N 2 2 251.399 2.025 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)s1 ZINC000086289961 179264926 /nfs/dbraw/zinc/26/49/26/179264926.db2.gz SCWAREJHIWDYNT-CYBMUJFWSA-N 2 2 251.399 2.025 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000086296396 179267235 /nfs/dbraw/zinc/26/72/35/179267235.db2.gz YGISMZNBJBCHLD-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)cn1 ZINC000086296396 179267236 /nfs/dbraw/zinc/26/72/36/179267236.db2.gz YGISMZNBJBCHLD-OAHLLOKOSA-N 2 2 277.412 2.300 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296423 179267649 /nfs/dbraw/zinc/26/76/49/179267649.db2.gz HAOMCOATHWWTFV-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)cn1 ZINC000086296423 179267652 /nfs/dbraw/zinc/26/76/52/179267652.db2.gz HAOMCOATHWWTFV-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086299082 179268856 /nfs/dbraw/zinc/26/88/56/179268856.db2.gz CKURIGZNZBWFHJ-LSDHHAIUSA-N 2 2 258.365 2.194 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086299082 179268859 /nfs/dbraw/zinc/26/88/59/179268859.db2.gz CKURIGZNZBWFHJ-LSDHHAIUSA-N 2 2 258.365 2.194 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297894 179269273 /nfs/dbraw/zinc/26/92/73/179269273.db2.gz NRTCFLXQFXJFJN-TZMCWYRMSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297894 179269275 /nfs/dbraw/zinc/26/92/75/179269275.db2.gz NRTCFLXQFXJFJN-TZMCWYRMSA-N 2 2 267.442 2.396 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842247 179352531 /nfs/dbraw/zinc/35/25/31/179352531.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086842247 179352533 /nfs/dbraw/zinc/35/25/33/179352533.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 3 2 267.461 2.323 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C)no2)CC1 ZINC000086843582 179352748 /nfs/dbraw/zinc/35/27/48/179352748.db2.gz SPANCBQEHHSREC-CYBMUJFWSA-N 2 2 251.374 2.337 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C)no2)CC1 ZINC000086843582 179352750 /nfs/dbraw/zinc/35/27/50/179352750.db2.gz SPANCBQEHHSREC-CYBMUJFWSA-N 2 2 251.374 2.337 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851308 179359058 /nfs/dbraw/zinc/35/90/58/179359058.db2.gz MLBSZQZFPIDXRW-CYBMUJFWSA-N 2 2 253.415 2.420 10 0 CEAELP CC[N@H+]1CCC[C@]([NH3+])(c2nc(C)c(C)s2)CC1 ZINC000086851308 179359060 /nfs/dbraw/zinc/35/90/60/179359060.db2.gz MLBSZQZFPIDXRW-CYBMUJFWSA-N 2 2 253.415 2.420 10 0 CEAELP COC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949807 179368717 /nfs/dbraw/zinc/36/87/17/179368717.db2.gz LTRKPSUSOZTWOH-NVXWUHKLSA-N 2 2 296.455 2.430 10 0 CEAELP COC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C(C)C)CC1 ZINC000086949807 179368719 /nfs/dbraw/zinc/36/87/19/179368719.db2.gz LTRKPSUSOZTWOH-NVXWUHKLSA-N 2 2 296.455 2.430 10 0 CEAELP CCC[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947842 179368736 /nfs/dbraw/zinc/36/87/36/179368736.db2.gz NUVPDTHTVAGPPP-HUUCEWRRSA-N 2 2 254.418 2.397 10 0 CEAELP [NH3+]CCc1cn(Cc2ccc(Br)s2)c[nH+]1 ZINC000087016531 179380358 /nfs/dbraw/zinc/38/03/58/179380358.db2.gz DWLHEXNNCOGQKV-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615289 348535265 /nfs/dbraw/zinc/53/52/65/348535265.db2.gz USPSZSSCXLATAS-OAHLLOKOSA-N 2 2 276.380 2.349 10 0 CEAELP CCOC(=O)c1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615289 348535267 /nfs/dbraw/zinc/53/52/67/348535267.db2.gz USPSZSSCXLATAS-OAHLLOKOSA-N 2 2 276.380 2.349 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616621386 348537504 /nfs/dbraw/zinc/53/75/04/348537504.db2.gz RYRDVTDEACZGIY-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616621386 348537506 /nfs/dbraw/zinc/53/75/06/348537506.db2.gz RYRDVTDEACZGIY-OAHLLOKOSA-N 2 2 255.365 2.373 10 0 CEAELP Nc1cc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616662298 348553664 /nfs/dbraw/zinc/55/36/64/348553664.db2.gz GYUPXWHZOMKPHY-MRXNPFEDSA-N 2 2 283.375 2.110 10 0 CEAELP Nc1cc([C@H]2COCC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000616662298 348553667 /nfs/dbraw/zinc/55/36/67/348553667.db2.gz GYUPXWHZOMKPHY-MRXNPFEDSA-N 2 2 283.375 2.110 10 0 CEAELP CC[NH+]1CCC(CNc2cc[nH+]c(C(=O)OC)c2)CC1 ZINC000090737828 180034137 /nfs/dbraw/zinc/03/41/37/180034137.db2.gz GFCOSOYXNDWSBG-UHFFFAOYSA-N 2 2 277.368 2.012 10 0 CEAELP CN([C@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CCCCC1 ZINC000091276168 180118685 /nfs/dbraw/zinc/11/86/85/180118685.db2.gz MCUUKHQBMNOLEE-CQSZACIVSA-N 2 2 262.401 2.482 10 0 CEAELP CCC[C@H](C)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276272 180120001 /nfs/dbraw/zinc/12/00/01/180120001.db2.gz WDYYZZBESAWSRE-AAEUAGOBSA-N 2 2 250.390 2.338 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(C[NH2+]C2CC2)cc1 ZINC000091278258 180121269 /nfs/dbraw/zinc/12/12/69/180121269.db2.gz QVZUYPDLAQXBBW-UHFFFAOYSA-N 2 2 257.337 2.251 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1F)[N@H+](C)CC1CC(O)C1 ZINC000091463791 180162048 /nfs/dbraw/zinc/16/20/48/180162048.db2.gz OGMOYCSUNIFANI-UQZDFYISSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccc1F)[N@@H+](C)CC1CC(O)C1 ZINC000091463791 180162051 /nfs/dbraw/zinc/16/20/51/180162051.db2.gz OGMOYCSUNIFANI-UQZDFYISSA-N 2 2 280.387 2.307 10 0 CEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)c1 ZINC000091464229 180163302 /nfs/dbraw/zinc/16/33/02/180163302.db2.gz AFJQEJWGUNJFOZ-FKFRUQKQSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)c1 ZINC000091464229 180163304 /nfs/dbraw/zinc/16/33/04/180163304.db2.gz AFJQEJWGUNJFOZ-FKFRUQKQSA-N 2 2 262.397 2.086 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@H](N)c1c[nH+]ccc1N ZINC000091573709 180196507 /nfs/dbraw/zinc/19/65/07/180196507.db2.gz FFUHCZBPPQPTKX-ZIAGYGMSSA-N 2 2 250.390 2.174 10 0 CEAELP CC[C@@](C)([C@H](O)c1c(C)cc[nH+]c1N)[NH+]1CCCC1 ZINC000091602526 180202957 /nfs/dbraw/zinc/20/29/57/180202957.db2.gz OEMNMMPXWVSTMG-HIFRSBDPSA-N 2 2 263.385 2.270 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607206 180204504 /nfs/dbraw/zinc/20/45/04/180204504.db2.gz WUVKKVNXISOLNP-IAGOWNOFSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)N1CCCC1 ZINC000091607206 180204505 /nfs/dbraw/zinc/20/45/05/180204505.db2.gz WUVKKVNXISOLNP-IAGOWNOFSA-N 2 2 290.455 2.449 10 0 CEAELP CC[C@](C)([C@@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608728 180205741 /nfs/dbraw/zinc/20/57/41/180205741.db2.gz HCNYIUUYSZWMMM-GOEBONIOSA-N 2 2 277.412 2.222 10 0 CEAELP CCC[NH2+][C@H](Cc1ncnn1CC(C)C)C(C)(C)[NH+](C)C ZINC000091529281 180180376 /nfs/dbraw/zinc/18/03/76/180180376.db2.gz YTUHPWFGUXBXAZ-CQSZACIVSA-N 2 2 295.475 2.185 10 0 CEAELP CC[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(C)(C)[NH+](C)C ZINC000091528956 180181009 /nfs/dbraw/zinc/18/10/09/180181009.db2.gz FCZSPNPCBAVCEL-LBPRGKRZSA-N 2 2 286.851 2.243 10 0 CEAELP CC(C)([C@H]([NH3+])c1ccc2c(c1)OCCO2)[NH+]1CCCC1 ZINC000091533873 180181352 /nfs/dbraw/zinc/18/13/52/180181352.db2.gz YCMGUGFNCMWJBV-OAHLLOKOSA-N 2 2 276.380 2.332 10 0 CEAELP CC(C)([C@@H]([NH3+])Cc1ccncc1Cl)[NH+]1CCCC1 ZINC000091533734 180181441 /nfs/dbraw/zinc/18/14/41/180181441.db2.gz PYIWJJUMBMKYLK-ZDUSSCGKSA-N 2 2 267.804 2.479 10 0 CEAELP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000091543560 180184990 /nfs/dbraw/zinc/18/49/90/180184990.db2.gz KTBNEXRJRHHUCK-NEPJUHHUSA-N 2 2 270.336 2.143 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000091661268 180219745 /nfs/dbraw/zinc/21/97/45/180219745.db2.gz ZBNVYSSDIOOSHK-CYBMUJFWSA-N 2 2 256.353 2.025 10 0 CEAELP CCC[NH2+][C@@H](CC[NH+](CC)CC)c1cnccn1 ZINC000091716768 180232326 /nfs/dbraw/zinc/23/23/26/180232326.db2.gz CDVDFRWGRZSZSX-ZDUSSCGKSA-N 2 2 250.390 2.249 10 0 CEAELP CC[NH+](CC)CC[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000091715943 180232923 /nfs/dbraw/zinc/23/29/23/180232923.db2.gz AQRCVVUSDBBHBF-CQSZACIVSA-N 2 2 266.385 2.436 10 0 CEAELP CC[NH2+][C@@H](Cc1nn(CC)c2ccccc12)C[NH+](C)C ZINC000091719846 180234197 /nfs/dbraw/zinc/23/41/97/180234197.db2.gz STPWRXLOKSOLGV-ZDUSSCGKSA-N 2 2 274.412 2.138 10 0 CEAELP CC[NH2+][C@H](c1ccsc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721571 180237526 /nfs/dbraw/zinc/23/75/26/180237526.db2.gz LCSASCVARKWFLP-MGPQQGTHSA-N 2 2 266.410 2.262 10 0 CEAELP CC[NH2+][C@H](c1ccsc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721571 180237527 /nfs/dbraw/zinc/23/75/27/180237527.db2.gz LCSASCVARKWFLP-MGPQQGTHSA-N 2 2 266.410 2.262 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721463 180238046 /nfs/dbraw/zinc/23/80/46/180238046.db2.gz FMZAXTBTUODTTN-KBRIMQKVSA-N 2 2 290.407 2.127 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1OC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721463 180238048 /nfs/dbraw/zinc/23/80/48/180238048.db2.gz FMZAXTBTUODTTN-KBRIMQKVSA-N 2 2 290.407 2.127 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054150 180312656 /nfs/dbraw/zinc/31/26/56/180312656.db2.gz CFMZFUPOXKRWKR-HOCLYGCPSA-N 2 2 292.423 2.457 10 0 CEAELP CC[NH2+][C@@H](CC)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054150 180312657 /nfs/dbraw/zinc/31/26/57/180312657.db2.gz CFMZFUPOXKRWKR-HOCLYGCPSA-N 2 2 292.423 2.457 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000092054251 180314424 /nfs/dbraw/zinc/31/44/24/180314424.db2.gz DVTNYRQJKJMUNG-JKSUJKDBSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccc(OC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054251 180314426 /nfs/dbraw/zinc/31/44/26/180314426.db2.gz DVTNYRQJKJMUNG-JKSUJKDBSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092054255 180314633 /nfs/dbraw/zinc/31/46/33/180314633.db2.gz DVTNYRQJKJMUNG-HZPDHXFCSA-N 2 2 278.396 2.067 10 0 CEAELP CC[C@@H]([NH2+]C)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054255 180314634 /nfs/dbraw/zinc/31/46/34/180314634.db2.gz DVTNYRQJKJMUNG-HZPDHXFCSA-N 2 2 278.396 2.067 10 0 CEAELP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092132970 180330689 /nfs/dbraw/zinc/33/06/89/180330689.db2.gz WAUVIWGXARKJNY-SNVBAGLBSA-N 2 2 292.770 2.320 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299356 180358916 /nfs/dbraw/zinc/35/89/16/180358916.db2.gz SPEIRVXMIUJALG-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299356 180358918 /nfs/dbraw/zinc/35/89/18/180358918.db2.gz SPEIRVXMIUJALG-ZIAGYGMSSA-N 2 2 260.381 2.237 10 0 CEAELP c1ccc2sc(C[NH2+]C[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000107795653 186191854 /nfs/dbraw/zinc/19/18/54/186191854.db2.gz RTRZYDCDKRHUCJ-LLVKDONJSA-N 2 2 261.394 2.386 10 0 CEAELP C[C@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)[nH+]c21 ZINC000107827595 186193758 /nfs/dbraw/zinc/19/37/58/186193758.db2.gz BJJNQEBMQHUQKW-CMPLNLGQSA-N 2 2 285.347 2.156 10 0 CEAELP C[C@@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)[nH+]c21 ZINC000107827586 186193760 /nfs/dbraw/zinc/19/37/60/186193760.db2.gz BJJNQEBMQHUQKW-PWSUYJOCSA-N 2 2 285.347 2.156 10 0 CEAELP [NH3+]C[C@]1([NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431853 186252459 /nfs/dbraw/zinc/25/24/59/186252459.db2.gz CAJACCPUYGNMOM-OAHLLOKOSA-N 2 2 252.402 2.151 10 0 CEAELP CCN(c1cn[nH+]c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110947163 186335909 /nfs/dbraw/zinc/33/59/09/186335909.db2.gz VENREWDCEIEHQU-GFCCVEGCSA-N 2 2 256.353 2.208 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@@H+]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000110745066 186319241 /nfs/dbraw/zinc/31/92/41/186319241.db2.gz XOMHJOVBTDLHGC-INIZCTEOSA-N 2 2 281.488 2.428 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@H+]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000110745066 186319242 /nfs/dbraw/zinc/31/92/42/186319242.db2.gz XOMHJOVBTDLHGC-INIZCTEOSA-N 2 2 281.488 2.428 10 0 CEAELP CCOc1cc(N[C@H](C)CC[NH+](C)C)ccc1[NH3+] ZINC000111052939 186348633 /nfs/dbraw/zinc/34/86/33/186348633.db2.gz LWDBDRPKJACMIH-LLVKDONJSA-N 2 2 251.374 2.420 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154781 186360662 /nfs/dbraw/zinc/36/06/62/186360662.db2.gz PSLPJXQZLMPQHU-IPYPFGDCSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154781 186360664 /nfs/dbraw/zinc/36/06/64/186360664.db2.gz PSLPJXQZLMPQHU-IPYPFGDCSA-N 2 2 266.385 2.335 10 0 CEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159385 186362976 /nfs/dbraw/zinc/36/29/76/186362976.db2.gz IEUFLDUNVXONKL-DZGCQCFKSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159385 186362977 /nfs/dbraw/zinc/36/29/77/186362977.db2.gz IEUFLDUNVXONKL-DZGCQCFKSA-N 2 2 254.418 2.252 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1C ZINC000111159865 186363136 /nfs/dbraw/zinc/36/31/36/186363136.db2.gz JBBZVDKEHYMORO-INIZCTEOSA-N 2 2 292.423 2.362 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1C ZINC000111159865 186363137 /nfs/dbraw/zinc/36/31/37/186363137.db2.gz JBBZVDKEHYMORO-INIZCTEOSA-N 2 2 292.423 2.362 10 0 CEAELP CCOCC[N@H+](CC)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117637 186354487 /nfs/dbraw/zinc/35/44/87/186354487.db2.gz JIRIXRVSECDTAM-QGZVFWFLSA-N 2 2 276.424 2.231 10 0 CEAELP CCOCC[N@@H+](CC)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117637 186354488 /nfs/dbraw/zinc/35/44/88/186354488.db2.gz JIRIXRVSECDTAM-QGZVFWFLSA-N 2 2 276.424 2.231 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154178 186359993 /nfs/dbraw/zinc/35/99/93/186359993.db2.gz BWFAMOVHZPDHSH-OFQRWUPVSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154178 186359994 /nfs/dbraw/zinc/35/99/94/186359994.db2.gz BWFAMOVHZPDHSH-OFQRWUPVSA-N 2 2 277.412 2.218 10 0 CEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@H]1CCOc2ccccc21 ZINC000111185793 186366509 /nfs/dbraw/zinc/36/65/09/186366509.db2.gz ICQLURAGXNYEKM-GXTWGEPZSA-N 2 2 271.364 2.497 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccnn2CC)C1 ZINC000122893714 187058114 /nfs/dbraw/zinc/05/81/14/187058114.db2.gz MDJFTCQXEZFKMD-CQSZACIVSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccnn2CC)C1 ZINC000122893714 187058115 /nfs/dbraw/zinc/05/81/15/187058115.db2.gz MDJFTCQXEZFKMD-CQSZACIVSA-N 2 2 287.411 2.499 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000122955281 187062373 /nfs/dbraw/zinc/06/23/73/187062373.db2.gz LAQQQJMOIGYNKC-ZDUSSCGKSA-N 2 2 259.357 2.006 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000122955281 187062374 /nfs/dbraw/zinc/06/23/74/187062374.db2.gz LAQQQJMOIGYNKC-ZDUSSCGKSA-N 2 2 259.357 2.006 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2[nH+]1 ZINC000070575341 363097337 /nfs/dbraw/zinc/09/73/37/363097337.db2.gz CMAVAARWBQQCJN-MNOVXSKESA-N 2 2 272.352 2.327 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000123465226 187093168 /nfs/dbraw/zinc/09/31/68/187093168.db2.gz HRVWOMQYKVVWRO-NSHDSACASA-N 2 2 256.296 2.211 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(OC(F)F)cc1 ZINC000123465226 187093169 /nfs/dbraw/zinc/09/31/69/187093169.db2.gz HRVWOMQYKVVWRO-NSHDSACASA-N 2 2 256.296 2.211 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000123458303 187093425 /nfs/dbraw/zinc/09/34/25/187093425.db2.gz GJGBKTSKAPKFEB-ZDUSSCGKSA-N 2 2 281.787 2.092 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000123458303 187093426 /nfs/dbraw/zinc/09/34/26/187093426.db2.gz GJGBKTSKAPKFEB-ZDUSSCGKSA-N 2 2 281.787 2.092 10 0 CEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000388809288 540331746 /nfs/dbraw/zinc/33/17/46/540331746.db2.gz VBFQJFKOGJNXRG-GXTWGEPZSA-N 2 2 268.376 2.097 10 0 CEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000388809288 540331749 /nfs/dbraw/zinc/33/17/49/540331749.db2.gz VBFQJFKOGJNXRG-GXTWGEPZSA-N 2 2 268.376 2.097 10 0 CEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133673210 296002404 /nfs/dbraw/zinc/00/24/04/296002404.db2.gz OJGSVTKDCIJMKR-OADHPXTJSA-N 2 2 278.440 2.168 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151243060 366633777 /nfs/dbraw/zinc/63/37/77/366633777.db2.gz WFIAFMLUDSQVPS-KGLIPLIRSA-N 2 2 280.387 2.323 10 0 CEAELP Cc1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000178309373 189105392 /nfs/dbraw/zinc/10/53/92/189105392.db2.gz GFZNQRBPFGUXLD-AWEZNQCLSA-N 2 2 274.368 2.461 10 0 CEAELP Cc1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000178309373 189105393 /nfs/dbraw/zinc/10/53/93/189105393.db2.gz GFZNQRBPFGUXLD-AWEZNQCLSA-N 2 2 274.368 2.461 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519746 189123050 /nfs/dbraw/zinc/12/30/50/189123050.db2.gz WELLKGATXMBSOM-TZMCWYRMSA-N 2 2 268.426 2.246 10 0 CEAELP Cc1[nH+]cc(CN2CC[N@@H+]3CCC[C@@H]3C2)n1-c1ccccc1 ZINC000179548017 189201636 /nfs/dbraw/zinc/20/16/36/189201636.db2.gz OHIYQHQKSNGWRO-QGZVFWFLSA-N 2 2 296.418 2.461 10 0 CEAELP Cc1[nH+]cc(CN2CC[N@H+]3CCC[C@@H]3C2)n1-c1ccccc1 ZINC000179548017 189201637 /nfs/dbraw/zinc/20/16/37/189201637.db2.gz OHIYQHQKSNGWRO-QGZVFWFLSA-N 2 2 296.418 2.461 10 0 CEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812426 364109353 /nfs/dbraw/zinc/10/93/53/364109353.db2.gz UOGQKLWOLBASRO-AWEZNQCLSA-N 2 2 285.395 2.058 10 0 CEAELP Cc1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812426 364109356 /nfs/dbraw/zinc/10/93/56/364109356.db2.gz UOGQKLWOLBASRO-AWEZNQCLSA-N 2 2 285.395 2.058 10 0 CEAELP Cc1c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cnn1C ZINC000093649204 364208700 /nfs/dbraw/zinc/20/87/00/364208700.db2.gz RJVSJPBWMFHIIX-UHFFFAOYSA-N 2 2 286.423 2.340 10 0 CEAELP Cc1c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cnn1C ZINC000093649204 364208703 /nfs/dbraw/zinc/20/87/03/364208703.db2.gz RJVSJPBWMFHIIX-UHFFFAOYSA-N 2 2 286.423 2.340 10 0 CEAELP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162210328 367144888 /nfs/dbraw/zinc/14/48/88/367144888.db2.gz PGWNNQULVLVGTC-AWEZNQCLSA-N 2 2 296.378 2.157 10 0 CEAELP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162210328 367144894 /nfs/dbraw/zinc/14/48/94/367144894.db2.gz PGWNNQULVLVGTC-AWEZNQCLSA-N 2 2 296.378 2.157 10 0 CEAELP C[C@@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000631840049 367581913 /nfs/dbraw/zinc/58/19/13/367581913.db2.gz OVVDFFIBVJRIDU-MNOVXSKESA-N 2 2 267.442 2.467 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@@H]1C[NH3+] ZINC000631840049 367581916 /nfs/dbraw/zinc/58/19/16/367581916.db2.gz OVVDFFIBVJRIDU-MNOVXSKESA-N 2 2 267.442 2.467 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043339 370901894 /nfs/dbraw/zinc/90/18/94/370901894.db2.gz XHZQUAAHOBDPTF-OLZOCXBDSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246043339 370901899 /nfs/dbraw/zinc/90/18/99/370901899.db2.gz XHZQUAAHOBDPTF-OLZOCXBDSA-N 2 2 270.417 2.181 10 0 CEAELP C[C@@H](CC[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193582123 369958714 /nfs/dbraw/zinc/95/87/14/369958714.db2.gz SWQRLIDPJOOYQO-DOTOQJQBSA-N 2 2 276.424 2.443 10 0 CEAELP C[C@@H](CC[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000193582123 369958717 /nfs/dbraw/zinc/95/87/17/369958717.db2.gz SWQRLIDPJOOYQO-DOTOQJQBSA-N 2 2 276.424 2.443 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000195515653 370135858 /nfs/dbraw/zinc/13/58/58/370135858.db2.gz YYNDIUDZAYRYDS-CABCVRRESA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)[nH+]c1 ZINC000195515653 370135863 /nfs/dbraw/zinc/13/58/63/370135863.db2.gz YYNDIUDZAYRYDS-CABCVRRESA-N 2 2 275.396 2.385 10 0 CEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@@H]21 ZINC000230134151 370441863 /nfs/dbraw/zinc/44/18/63/370441863.db2.gz UDMYZKJRADVWKY-SDDRHHMPSA-N 2 2 256.353 2.127 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679835 370573794 /nfs/dbraw/zinc/57/37/94/370573794.db2.gz DGVNKIUPQWPMFZ-GJZGRUSLSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679835 370573800 /nfs/dbraw/zinc/57/38/00/370573800.db2.gz DGVNKIUPQWPMFZ-GJZGRUSLSA-N 2 2 262.397 2.351 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565453 371649685 /nfs/dbraw/zinc/64/96/85/371649685.db2.gz YKMRMOGBYMHCLP-RAIGVLPGSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(Br)c3)C[C@@H]12 ZINC000261565453 371649696 /nfs/dbraw/zinc/64/96/96/371649696.db2.gz YKMRMOGBYMHCLP-RAIGVLPGSA-N 2 2 296.212 2.013 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1[NH3+] ZINC000261961689 371785876 /nfs/dbraw/zinc/78/58/76/371785876.db2.gz HIYBIDDXLBJWPD-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1[NH3+] ZINC000261961689 371785882 /nfs/dbraw/zinc/78/58/82/371785882.db2.gz HIYBIDDXLBJWPD-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)[C@@H]1CCc2ccccc21 ZINC000262149815 371830894 /nfs/dbraw/zinc/83/08/94/371830894.db2.gz FUTWWDOHKHDISR-CQSZACIVSA-N 2 2 286.379 2.428 10 0 CEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)[C@@H]1CCc2ccccc21 ZINC000262149815 371830903 /nfs/dbraw/zinc/83/09/03/371830903.db2.gz FUTWWDOHKHDISR-CQSZACIVSA-N 2 2 286.379 2.428 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1[NH3+] ZINC000262034393 371804918 /nfs/dbraw/zinc/80/49/18/371804918.db2.gz OJUGRKMTGCNJJI-WMLDXEAASA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1[NH3+] ZINC000262034393 371804924 /nfs/dbraw/zinc/80/49/24/371804924.db2.gz OJUGRKMTGCNJJI-WMLDXEAASA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@H+](CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048324 371810557 /nfs/dbraw/zinc/81/05/57/371810557.db2.gz PYIHBLSMVZNJDS-OCCSQVGLSA-N 2 2 250.411 2.199 10 0 CEAELP C[C@@H]1C[N@@H+](CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048324 371810567 /nfs/dbraw/zinc/81/05/67/371810567.db2.gz PYIHBLSMVZNJDS-OCCSQVGLSA-N 2 2 250.411 2.199 10 0 CEAELP CCc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC000272913778 373708671 /nfs/dbraw/zinc/70/86/71/373708671.db2.gz RTKCIMNZKUDLQW-BXUZGUMPSA-N 2 2 262.401 2.488 10 0 CEAELP CCc1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC000272913778 373708676 /nfs/dbraw/zinc/70/86/76/373708676.db2.gz RTKCIMNZKUDLQW-BXUZGUMPSA-N 2 2 262.401 2.488 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000389236238 375300099 /nfs/dbraw/zinc/30/00/99/375300099.db2.gz JVDYXXDWDTWCGV-JSGCOSHPSA-N 2 2 250.361 2.441 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2F)C1 ZINC000389236238 375300106 /nfs/dbraw/zinc/30/01/06/375300106.db2.gz JVDYXXDWDTWCGV-JSGCOSHPSA-N 2 2 250.361 2.441 10 0 CEAELP [NH3+]C1CCN(c2cc(Nc3ccccc3)[nH+]cn2)CC1 ZINC000057330499 542180752 /nfs/dbraw/zinc/18/07/52/542180752.db2.gz OIJPBKHTGHDOCI-UHFFFAOYSA-N 2 2 269.352 2.148 10 0 CEAELP C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745995 207007324 /nfs/dbraw/zinc/00/73/24/207007324.db2.gz MPQAZLFHWUGFLI-CZUORRHYSA-N 2 2 271.364 2.075 10 0 CEAELP C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000334745995 207007326 /nfs/dbraw/zinc/00/73/26/207007326.db2.gz MPQAZLFHWUGFLI-CZUORRHYSA-N 2 2 271.364 2.075 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnn3ccccc23)c[nH+]1 ZINC000188403624 542321278 /nfs/dbraw/zinc/32/12/78/542321278.db2.gz JDNJJIQDPDZXNM-OAHLLOKOSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cnn3ccccc23)c[nH+]1 ZINC000188403624 542321281 /nfs/dbraw/zinc/32/12/81/542321281.db2.gz JDNJJIQDPDZXNM-OAHLLOKOSA-N 2 2 281.363 2.195 10 0 CEAELP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744672 285311802 /nfs/dbraw/zinc/31/18/02/285311802.db2.gz UCNMLDLPQJEYAF-RRQGHBQHSA-N 2 2 289.423 2.312 10 0 CEAELP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744672 285311803 /nfs/dbraw/zinc/31/18/03/285311803.db2.gz UCNMLDLPQJEYAF-RRQGHBQHSA-N 2 2 289.423 2.312 10 0 CEAELP CC[NH2+][C@@]1(C(=O)OC)CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC000093582841 184692983 /nfs/dbraw/zinc/69/29/83/184692983.db2.gz JMAHOWXTTZSRFO-RDJZCZTQSA-N 2 2 296.455 2.430 10 0 CEAELP Cn1cc[nH+]c1C[C@H]([NH3+])Cc1ccccc1Br ZINC000094159624 184757416 /nfs/dbraw/zinc/75/74/16/184757416.db2.gz IPVOWPNRLFZERR-LLVKDONJSA-N 2 2 294.196 2.295 10 0 CEAELP CC[NH2+][C@@H](CSCC(C)C)Cc1[nH+]ccn1C ZINC000094160961 184757938 /nfs/dbraw/zinc/75/79/38/184757938.db2.gz GMSXJLXVVRAEHW-GFCCVEGCSA-N 2 2 255.431 2.330 10 0 CEAELP CC[NH2+][C@@H](C[NH+](C)C)[C@H]1CCOC2(CCCC2)C1 ZINC000094407419 184793807 /nfs/dbraw/zinc/79/38/07/184793807.db2.gz IJVBLRKCONWQFC-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@](C)([NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000094239251 135084620 /nfs/dbraw/zinc/08/46/20/135084620.db2.gz ZROUZWRDSAFKOX-MRXNPFEDSA-N 2 2 261.413 2.244 10 0 CEAELP C[C@@H]1CC[C@H](C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000190592308 395340538 /nfs/dbraw/zinc/34/05/38/395340538.db2.gz BJWJADPSJNLSDW-RBSFLKMASA-N 2 2 275.396 2.383 10 0 CEAELP C[C@@H]1CC[C@H](C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)O1 ZINC000190592308 395340544 /nfs/dbraw/zinc/34/05/44/395340544.db2.gz BJWJADPSJNLSDW-RBSFLKMASA-N 2 2 275.396 2.383 10 0 CEAELP c1csc([C@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)n1 ZINC000649412013 396146190 /nfs/dbraw/zinc/14/61/90/396146190.db2.gz CELCIMCAQXPRBU-VXGBXAGGSA-N 2 2 251.399 2.280 10 0 CEAELP c1csc([C@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)n1 ZINC000649412013 396146194 /nfs/dbraw/zinc/14/61/94/396146194.db2.gz CELCIMCAQXPRBU-VXGBXAGGSA-N 2 2 251.399 2.280 10 0 CEAELP C[C@@H]([NH2+]Cc1nccc(N)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189919155 153112893 /nfs/dbraw/zinc/11/28/93/153112893.db2.gz PGYSVPMKTKZFOA-GFCCVEGCSA-N 2 2 294.362 2.095 10 0 CEAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccc(Br)o1 ZINC000035382275 172164365 /nfs/dbraw/zinc/16/43/65/172164365.db2.gz NIEIEDJILUPLJD-ZCFIWIBFSA-N 2 2 256.103 2.008 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037166609 173000925 /nfs/dbraw/zinc/00/09/25/173000925.db2.gz NHAVWXSVWFWNMZ-GOEBONIOSA-N 3 2 269.477 2.283 10 0 CEAELP COc1ccccc1C[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040639205 174363967 /nfs/dbraw/zinc/36/39/67/174363967.db2.gz NMNUXLVVSWNPSJ-CYBMUJFWSA-N 2 2 273.380 2.192 10 0 CEAELP CN(c1[nH]c2ccccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747357 174392955 /nfs/dbraw/zinc/39/29/55/174392955.db2.gz HCRHMTGNBXXNKC-FOSCPWQOSA-N 2 2 256.353 2.282 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)o1 ZINC000040749297 174393642 /nfs/dbraw/zinc/39/36/42/174393642.db2.gz JOXOEPCZTTVWGO-PBINXNQUSA-N 2 2 285.185 2.496 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)o1 ZINC000040749297 174393643 /nfs/dbraw/zinc/39/36/43/174393643.db2.gz JOXOEPCZTTVWGO-PBINXNQUSA-N 2 2 285.185 2.496 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)nc1 ZINC000040750164 174394971 /nfs/dbraw/zinc/39/49/71/174394971.db2.gz SUKKSDSTCNCXMZ-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)nc1 ZINC000040750164 174394973 /nfs/dbraw/zinc/39/49/73/174394973.db2.gz SUKKSDSTCNCXMZ-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP CCN(C[C@@H](C)C(N)=[NH2+])c1cc(C)[nH+]c(C(C)C)n1 ZINC000042446457 174741004 /nfs/dbraw/zinc/74/10/04/174741004.db2.gz RNJXCEUFOJIFNI-SNVBAGLBSA-N 2 2 263.389 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCOC)CC(C)C ZINC000043347898 175018015 /nfs/dbraw/zinc/01/80/15/175018015.db2.gz HQSSGNXAXNNWBB-HZPDHXFCSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCOC)CC(C)C ZINC000043347898 175018017 /nfs/dbraw/zinc/01/80/17/175018017.db2.gz HQSSGNXAXNNWBB-HZPDHXFCSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CC)CCOC ZINC000043364875 175025676 /nfs/dbraw/zinc/02/56/76/175025676.db2.gz GLRMCKWKTHCEEH-OCCSQVGLSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CC)CCOC ZINC000043364875 175025677 /nfs/dbraw/zinc/02/56/77/175025677.db2.gz GLRMCKWKTHCEEH-OCCSQVGLSA-N 2 2 254.374 2.335 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394465 175035102 /nfs/dbraw/zinc/03/51/02/175035102.db2.gz LCFQSGCETPAJEZ-KRWDZBQOSA-N 2 2 294.439 2.288 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394465 175035103 /nfs/dbraw/zinc/03/51/03/175035103.db2.gz LCFQSGCETPAJEZ-KRWDZBQOSA-N 2 2 294.439 2.288 10 0 CEAELP CC[NH+](CC)CCCNc1[nH+]c(C)ccc1C(N)=S ZINC000043396420 175036342 /nfs/dbraw/zinc/03/63/42/175036342.db2.gz OBMLQZFOLRSHCI-UHFFFAOYSA-N 2 2 280.441 2.168 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000043812552 175111308 /nfs/dbraw/zinc/11/13/08/175111308.db2.gz STUPSJXHJAPBEJ-QWHCGFSZSA-N 2 2 278.396 2.196 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000043812552 175111310 /nfs/dbraw/zinc/11/13/10/175111310.db2.gz STUPSJXHJAPBEJ-QWHCGFSZSA-N 2 2 278.396 2.196 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](C)CCOC ZINC000043916108 175124993 /nfs/dbraw/zinc/12/49/93/175124993.db2.gz OFBMCYCVXLJYMG-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916108 175124995 /nfs/dbraw/zinc/12/49/95/175124995.db2.gz OFBMCYCVXLJYMG-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966621 175127662 /nfs/dbraw/zinc/12/76/62/175127662.db2.gz MYUKNXOYDIBYJM-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966621 175127665 /nfs/dbraw/zinc/12/76/65/175127665.db2.gz MYUKNXOYDIBYJM-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966619 175128100 /nfs/dbraw/zinc/12/81/00/175128100.db2.gz MYUKNXOYDIBYJM-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966619 175128101 /nfs/dbraw/zinc/12/81/01/175128101.db2.gz MYUKNXOYDIBYJM-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966910 175128107 /nfs/dbraw/zinc/12/81/07/175128107.db2.gz RQYSYQBHSLASBH-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966910 175128108 /nfs/dbraw/zinc/12/81/08/175128108.db2.gz RQYSYQBHSLASBH-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)CC1CCCCC1 ZINC000043968283 175129743 /nfs/dbraw/zinc/12/97/43/175129743.db2.gz BLOUQTBJRFTCFU-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968283 175129745 /nfs/dbraw/zinc/12/97/45/175129745.db2.gz BLOUQTBJRFTCFU-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP CCC1CCC([N@H+](C)[C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968982 175130208 /nfs/dbraw/zinc/13/02/08/175130208.db2.gz SJZCHVYWUYTMSD-WUCCLRPBSA-N 2 2 254.418 2.264 10 0 CEAELP CCC1CCC([N@@H+](C)[C@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043968982 175130209 /nfs/dbraw/zinc/13/02/09/175130209.db2.gz SJZCHVYWUYTMSD-WUCCLRPBSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@H]1[N@H+](C)[C@@H](C)COC ZINC000043969212 175130287 /nfs/dbraw/zinc/13/02/87/175130287.db2.gz JKZLXCIQUOBBJL-MAZHCROVSA-N 2 2 262.397 2.229 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969212 175130289 /nfs/dbraw/zinc/13/02/89/175130289.db2.gz JKZLXCIQUOBBJL-MAZHCROVSA-N 2 2 262.397 2.229 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969884 175131254 /nfs/dbraw/zinc/13/12/54/175131254.db2.gz AZTOKYNMIONGAP-YUELXQCFSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969884 175131256 /nfs/dbraw/zinc/13/12/56/175131256.db2.gz AZTOKYNMIONGAP-YUELXQCFSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)C ZINC000045065385 175299440 /nfs/dbraw/zinc/29/94/40/175299440.db2.gz OJLAPABBRLVHKT-QWHCGFSZSA-N 2 2 252.406 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)C ZINC000045065385 175299442 /nfs/dbraw/zinc/29/94/42/175299442.db2.gz OJLAPABBRLVHKT-QWHCGFSZSA-N 2 2 252.406 2.176 10 0 CEAELP [NH3+]CC1([N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000045071044 175301539 /nfs/dbraw/zinc/30/15/39/175301539.db2.gz LOCFWORVGIMGCN-AWEZNQCLSA-N 2 2 252.402 2.149 10 0 CEAELP [NH3+]CC1([N@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000045071044 175301541 /nfs/dbraw/zinc/30/15/41/175301541.db2.gz LOCFWORVGIMGCN-AWEZNQCLSA-N 2 2 252.402 2.149 10 0 CEAELP CO[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045106354 175308490 /nfs/dbraw/zinc/30/84/90/175308490.db2.gz VMSRVJJTIHFZTH-ZIAGYGMSSA-N 2 2 251.374 2.211 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1nc2ccccc2s1 ZINC000045134283 175312832 /nfs/dbraw/zinc/31/28/32/175312832.db2.gz FLQHRLQDJXEUGZ-UHFFFAOYSA-N 2 2 272.377 2.362 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+](CC)c1ccccc1)C(N)=O ZINC000045379943 175369192 /nfs/dbraw/zinc/36/91/92/175369192.db2.gz ZLVDTKALRGKIFY-INIZCTEOSA-N 2 2 277.412 2.147 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+](CC)c1ccccc1)C(N)=O ZINC000045379943 175369193 /nfs/dbraw/zinc/36/91/93/175369193.db2.gz ZLVDTKALRGKIFY-INIZCTEOSA-N 2 2 277.412 2.147 10 0 CEAELP CCC[N@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045387149 175373037 /nfs/dbraw/zinc/37/30/37/175373037.db2.gz CTEOZEMAEMRNRP-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](CC)CCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045387149 175373038 /nfs/dbraw/zinc/37/30/38/175373038.db2.gz CTEOZEMAEMRNRP-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP C[N@@H+](Cc1cc(N)ccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000071187770 176061765 /nfs/dbraw/zinc/06/17/65/176061765.db2.gz KMKIUYGFCAROQU-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[N@H+](Cc1cc(N)ccc1Cl)C[C@H]1CC[NH+](C)C1 ZINC000071187770 176061766 /nfs/dbraw/zinc/06/17/66/176061766.db2.gz KMKIUYGFCAROQU-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1cc(N)ccc1Cl)C[C@H]1CC[N@H+](C)C1 ZINC000071187770 176061768 /nfs/dbraw/zinc/06/17/68/176061768.db2.gz KMKIUYGFCAROQU-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[NH+](Cc1cc(N)ccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000071187770 176061769 /nfs/dbraw/zinc/06/17/69/176061769.db2.gz KMKIUYGFCAROQU-NSHDSACASA-N 2 2 267.804 2.306 10 0 CEAELP C[N@@H+](Cc1cc2ccccc2nc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071191097 176067705 /nfs/dbraw/zinc/06/77/05/176067705.db2.gz NMZNYZVQFPEWPM-CYBMUJFWSA-N 2 2 284.407 2.201 10 0 CEAELP C[N@H+](Cc1cc2ccccc2nc1N)C[C@@H]1CC[NH+](C)C1 ZINC000071191097 176067706 /nfs/dbraw/zinc/06/77/06/176067706.db2.gz NMZNYZVQFPEWPM-CYBMUJFWSA-N 2 2 284.407 2.201 10 0 CEAELP C[NH+](Cc1cc2ccccc2nc1N)C[C@@H]1CC[N@H+](C)C1 ZINC000071191097 176067708 /nfs/dbraw/zinc/06/77/08/176067708.db2.gz NMZNYZVQFPEWPM-CYBMUJFWSA-N 2 2 284.407 2.201 10 0 CEAELP C[NH+](Cc1cc2ccccc2nc1N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191097 176067709 /nfs/dbraw/zinc/06/77/09/176067709.db2.gz NMZNYZVQFPEWPM-CYBMUJFWSA-N 2 2 284.407 2.201 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191306 176069536 /nfs/dbraw/zinc/06/95/36/176069536.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191306 176069537 /nfs/dbraw/zinc/06/95/37/176069537.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191306 176069539 /nfs/dbraw/zinc/06/95/39/176069539.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191306 176069540 /nfs/dbraw/zinc/06/95/40/176069540.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191377 176069569 /nfs/dbraw/zinc/06/95/69/176069569.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191377 176069571 /nfs/dbraw/zinc/06/95/71/176069571.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191377 176069573 /nfs/dbraw/zinc/06/95/73/176069573.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191377 176069574 /nfs/dbraw/zinc/06/95/74/176069574.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069857 /nfs/dbraw/zinc/06/98/57/176069857.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069859 /nfs/dbraw/zinc/06/98/59/176069859.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069860 /nfs/dbraw/zinc/06/98/60/176069860.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069862 /nfs/dbraw/zinc/06/98/62/176069862.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[N@H+](CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191257 176070015 /nfs/dbraw/zinc/07/00/15/176070015.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[N@@H+](CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071191257 176070016 /nfs/dbraw/zinc/07/00/16/176070016.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191257 176070017 /nfs/dbraw/zinc/07/00/17/176070017.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP C[NH+](CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191257 176070018 /nfs/dbraw/zinc/07/00/18/176070018.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 3 2 279.403 2.099 10 0 CEAELP Cc1oc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071743 /nfs/dbraw/zinc/07/17/43/176071743.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071744 /nfs/dbraw/zinc/07/17/44/176071744.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071746 /nfs/dbraw/zinc/07/17/46/176071746.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071748 /nfs/dbraw/zinc/07/17/48/176071748.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP COc1ccc([C@@H](C)[N@H+](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309353 176116872 /nfs/dbraw/zinc/11/68/72/176116872.db2.gz GBXBKMGJDCKRGR-DGCLKSJQSA-N 2 2 264.369 2.059 10 0 CEAELP COc1ccc([C@@H](C)[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000071309353 176116873 /nfs/dbraw/zinc/11/68/73/176116873.db2.gz GBXBKMGJDCKRGR-DGCLKSJQSA-N 2 2 264.369 2.059 10 0 CEAELP CC[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000071314006 176120570 /nfs/dbraw/zinc/12/05/70/176120570.db2.gz JTRMJTZNSUEVSR-OAHLLOKOSA-N 2 2 255.365 2.419 10 0 CEAELP CC[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CC[NH2+]C1 ZINC000071314006 176120571 /nfs/dbraw/zinc/12/05/71/176120571.db2.gz JTRMJTZNSUEVSR-OAHLLOKOSA-N 2 2 255.365 2.419 10 0 CEAELP CC[C@H]1CN(CCCn2cc[nH+]c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071344219 176130772 /nfs/dbraw/zinc/13/07/72/176130772.db2.gz ILKXSPKUAWVETG-GJZGRUSLSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H]1CN(Cc2cn3ccccc3[nH+]2)C(C)(C)C[NH2+]1 ZINC000071344808 176131682 /nfs/dbraw/zinc/13/16/82/176131682.db2.gz HNESXVAAFOFQQJ-ZDUSSCGKSA-N 2 2 272.396 2.297 10 0 CEAELP COc1ccc(F)cc1C[N@H+](CC[NH3+])C(C)(C)C ZINC000076658251 177046932 /nfs/dbraw/zinc/04/69/32/177046932.db2.gz IRJMKRKAEVZCHR-UHFFFAOYSA-N 2 2 254.349 2.394 10 0 CEAELP COc1ccc(F)cc1C[N@@H+](CC[NH3+])C(C)(C)C ZINC000076658251 177046934 /nfs/dbraw/zinc/04/69/34/177046934.db2.gz IRJMKRKAEVZCHR-UHFFFAOYSA-N 2 2 254.349 2.394 10 0 CEAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666885656 419455812 /nfs/dbraw/zinc/45/58/12/419455812.db2.gz KNDXLEMACNSNEF-IUODEOHRSA-N 2 2 255.365 2.465 10 0 CEAELP COCC[NH+]1[C@H](C)CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C ZINC000301900243 274035180 /nfs/dbraw/zinc/03/51/80/274035180.db2.gz YXYYECBEGWJLAC-CHWSQXEVSA-N 2 2 288.395 2.108 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@H](C)c1[nH+]ccn1C ZINC000070444935 279133959 /nfs/dbraw/zinc/13/39/59/279133959.db2.gz QBVVOKYRMZFSGG-CHWSQXEVSA-N 2 2 252.406 2.047 10 0 CEAELP COc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644435 295297620 /nfs/dbraw/zinc/29/76/20/295297620.db2.gz MZJPDTPTYQMPPA-JSGCOSHPSA-N 2 2 278.396 2.263 10 0 CEAELP COc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644435 295297623 /nfs/dbraw/zinc/29/76/23/295297623.db2.gz MZJPDTPTYQMPPA-JSGCOSHPSA-N 2 2 278.396 2.263 10 0 CEAELP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000516173839 313082843 /nfs/dbraw/zinc/08/28/43/313082843.db2.gz DJIALPWICLANIG-NCOADZHNSA-N 3 2 281.488 2.475 10 0 CEAELP NC(=[NH2+])c1ccc(/C=C/c2ccc(C(N)=[NH2+])c(O)c2)cc1 ZINC000002386942 333043653 /nfs/dbraw/zinc/04/36/53/333043653.db2.gz JDIMCXNFQRSDBE-OWOJBTEDSA-N 2 2 280.331 2.131 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812984 519344010 /nfs/dbraw/zinc/34/40/10/519344010.db2.gz NQFUYLSBDDYBNE-GFCCVEGCSA-N 2 2 280.441 2.104 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419841 519730326 /nfs/dbraw/zinc/73/03/26/519730326.db2.gz AJYFKXFUINGPPV-UHFFFAOYSA-N 3 2 279.428 2.304 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419841 519730328 /nfs/dbraw/zinc/73/03/28/519730328.db2.gz AJYFKXFUINGPPV-UHFFFAOYSA-N 3 2 279.428 2.304 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000049204486 519793500 /nfs/dbraw/zinc/79/35/00/519793500.db2.gz APJRGBGQILYSGF-CABCVRRESA-N 2 2 268.376 2.035 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198880 519814710 /nfs/dbraw/zinc/81/47/10/519814710.db2.gz KADVCXIIFYEIHF-DOMZBBRYSA-N 2 2 292.427 2.414 10 0 CEAELP CCCC1CC[NH+]([C@@H]2COCC[C@@H]2[NH2+]CC)CC1 ZINC000050893603 519903117 /nfs/dbraw/zinc/90/31/17/519903117.db2.gz FLHMGBJRXROFTB-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418225 519928514 /nfs/dbraw/zinc/92/85/14/519928514.db2.gz HWCGAHZSXXOAMG-CQSZACIVSA-N 2 2 279.403 2.336 10 0 CEAELP CCC[NH2+][C@](Cn1cc[nH+]c1C(C)C)(C(=O)OC)C1CC1 ZINC000069191673 520125769 /nfs/dbraw/zinc/12/57/69/520125769.db2.gz RMQZKSFRGGKECK-INIZCTEOSA-N 2 2 293.411 2.328 10 0 CEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCO2 ZINC000050892164 520205501 /nfs/dbraw/zinc/20/55/01/520205501.db2.gz HYINKQPKOGWYBD-CYBMUJFWSA-N 2 2 257.337 2.238 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@H](C)n1cc[nH+]c1CC)[NH2+]C1CC1 ZINC000068649448 521152348 /nfs/dbraw/zinc/15/23/48/521152348.db2.gz ZYKFLTBITDYKFR-BLLLJJGKSA-N 2 2 293.411 2.470 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@@H+]1CCn1cccn1 ZINC000068704485 521690723 /nfs/dbraw/zinc/69/07/23/521690723.db2.gz HKVFKBJBYSCFOR-HNNXBMFYSA-N 2 2 278.444 2.372 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@H+]1CCn1cccn1 ZINC000068704485 521690726 /nfs/dbraw/zinc/69/07/26/521690726.db2.gz HKVFKBJBYSCFOR-HNNXBMFYSA-N 2 2 278.444 2.372 10 0 CEAELP C[NH+](C)C[C@H]1CCCN1c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000061641591 521873398 /nfs/dbraw/zinc/87/33/98/521873398.db2.gz VXNDQAMGJCDIQO-CQSZACIVSA-N 3 2 284.407 2.224 10 0 CEAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453670 522038784 /nfs/dbraw/zinc/03/87/84/522038784.db2.gz XNRMYOPREBSMAT-KGLIPLIRSA-N 2 2 250.411 2.384 10 0 CEAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453670 522038791 /nfs/dbraw/zinc/03/87/91/522038791.db2.gz XNRMYOPREBSMAT-KGLIPLIRSA-N 2 2 250.411 2.384 10 0 CEAELP C[NH2+]Cc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540182 522107487 /nfs/dbraw/zinc/10/74/87/522107487.db2.gz VNDINRLTGOQVEH-LSDHHAIUSA-N 2 2 264.369 2.061 10 0 CEAELP C[NH2+]Cc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)oc1C ZINC000052540182 522107495 /nfs/dbraw/zinc/10/74/95/522107495.db2.gz VNDINRLTGOQVEH-LSDHHAIUSA-N 2 2 264.369 2.061 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCOc1ccccc1 ZINC000062803185 522337560 /nfs/dbraw/zinc/33/75/60/522337560.db2.gz FJAQZSSQTGFQAZ-ZDUSSCGKSA-N 2 2 259.353 2.242 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@@](C)([NH2+]C)C(N)=O ZINC000068650221 522506895 /nfs/dbraw/zinc/50/68/95/522506895.db2.gz RRFKXJGTTPNYAL-BDJLRTHQSA-N 2 2 288.395 2.013 10 0 CEAELP C[N@H+](CCC[NH2+]Cc1ccncn1)Cc1ccccc1 ZINC000054788618 522773403 /nfs/dbraw/zinc/77/34/03/522773403.db2.gz PUFJDLGWMZPDDZ-UHFFFAOYSA-N 2 2 270.380 2.088 10 0 CEAELP C[N@@H+](CCC[NH2+]Cc1ccncn1)Cc1ccccc1 ZINC000054788618 522773408 /nfs/dbraw/zinc/77/34/08/522773408.db2.gz PUFJDLGWMZPDDZ-UHFFFAOYSA-N 2 2 270.380 2.088 10 0 CEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502793 523231940 /nfs/dbraw/zinc/23/19/40/523231940.db2.gz RIDPUOAPNRPATM-MRXNPFEDSA-N 2 2 273.380 2.203 10 0 CEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502793 523231949 /nfs/dbraw/zinc/23/19/49/523231949.db2.gz RIDPUOAPNRPATM-MRXNPFEDSA-N 2 2 273.380 2.203 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570734 523353708 /nfs/dbraw/zinc/35/37/08/523353708.db2.gz IORBOYVXKHWAHS-SNPRPXQTSA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052570734 523353718 /nfs/dbraw/zinc/35/37/18/523353718.db2.gz IORBOYVXKHWAHS-SNPRPXQTSA-N 2 2 254.418 2.262 10 0 CEAELP C[N@H+](Cc1ccccn1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624652 523397896 /nfs/dbraw/zinc/39/78/96/523397896.db2.gz YBDBGNLWAILURR-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP C[N@@H+](Cc1ccccn1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624652 523397901 /nfs/dbraw/zinc/39/79/01/523397901.db2.gz YBDBGNLWAILURR-QGZVFWFLSA-N 2 2 269.392 2.474 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052508357 523681274 /nfs/dbraw/zinc/68/12/74/523681274.db2.gz CPOSSFHQYUBUQO-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052508357 523681275 /nfs/dbraw/zinc/68/12/75/523681275.db2.gz CPOSSFHQYUBUQO-HNNXBMFYSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068698412 523719907 /nfs/dbraw/zinc/71/99/07/523719907.db2.gz KXNCZJOSFONPQT-BBRMVZONSA-N 2 2 272.396 2.297 10 0 CEAELP COCC[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000062738568 523947571 /nfs/dbraw/zinc/94/75/71/523947571.db2.gz BMBLNQLOXFQKDI-UHFFFAOYSA-N 2 2 265.744 2.262 10 0 CEAELP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049500959 524607069 /nfs/dbraw/zinc/60/70/69/524607069.db2.gz RVGDGOPPASLZOA-ZNMIVQPWSA-N 2 2 254.418 2.144 10 0 CEAELP C[C@@H](Cc1c(F)cccc1F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765053 524885374 /nfs/dbraw/zinc/88/53/74/524885374.db2.gz WFIWDIFZMUPDMO-VIFPVBQESA-N 2 2 251.280 2.409 10 0 CEAELP COc1ccc2cc(Cn3cc[nH+]c3)c(N)[nH+]c2c1 ZINC000050818550 525634575 /nfs/dbraw/zinc/63/45/75/525634575.db2.gz SXMMCWONKMDZHV-UHFFFAOYSA-N 2 2 254.293 2.070 10 0 CEAELP Cc1occc1C[N@@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590145 526826774 /nfs/dbraw/zinc/82/67/74/526826774.db2.gz BJRLVMNASAKQMI-ZDUSSCGKSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1occc1C[N@H+](C)[C@]1(C[NH3+])CCCSC1 ZINC000061590145 526826778 /nfs/dbraw/zinc/82/67/78/526826778.db2.gz BJRLVMNASAKQMI-ZDUSSCGKSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1[nH]c(C[NH2+]CCc2cc(F)cc(F)c2)c[nH+]1 ZINC000054822626 526887061 /nfs/dbraw/zinc/88/70/61/526887061.db2.gz LZIALWQYZXDLNS-UHFFFAOYSA-N 2 2 251.280 2.329 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc2cnccc21 ZINC000061125445 527428997 /nfs/dbraw/zinc/42/89/97/527428997.db2.gz YHDPDZWWPNZMMZ-UHFFFAOYSA-N 2 2 266.348 2.301 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)n1 ZINC000320511468 630827376 /nfs/dbraw/zinc/82/73/76/630827376.db2.gz WENPKXRTGGBFKP-LBPRGKRZSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)n1 ZINC000320511468 630827387 /nfs/dbraw/zinc/82/73/87/630827387.db2.gz WENPKXRTGGBFKP-LBPRGKRZSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc(Cl)n1 ZINC000320511468 630827393 /nfs/dbraw/zinc/82/73/93/630827393.db2.gz WENPKXRTGGBFKP-LBPRGKRZSA-N 2 2 267.804 2.427 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc(Cl)n1 ZINC000320511468 630827399 /nfs/dbraw/zinc/82/73/99/630827399.db2.gz WENPKXRTGGBFKP-LBPRGKRZSA-N 2 2 267.804 2.427 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000231759802 639874071 /nfs/dbraw/zinc/87/40/71/639874071.db2.gz FRHULJJSKDUWIR-FDYHWXHSSA-N 2 2 294.361 2.464 10 0 CEAELP c1ccc(C[N@@H+]2CCC[C@@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949202 185137713 /nfs/dbraw/zinc/13/77/13/185137713.db2.gz LIMWAGPWMSNAHQ-HNNXBMFYSA-N 2 2 262.422 2.358 10 0 CEAELP c1ccc(C[N@H+]2CCC[C@@]3(CSCC[NH2+]3)C2)cc1 ZINC000096949202 185137714 /nfs/dbraw/zinc/13/77/14/185137714.db2.gz LIMWAGPWMSNAHQ-HNNXBMFYSA-N 2 2 262.422 2.358 10 0 CEAELP c1ccc(C[N@@H+]2CCSC[C@]23CCC[NH2+]C3)cc1 ZINC000096949204 185137803 /nfs/dbraw/zinc/13/78/03/185137803.db2.gz GQTZPESQBBTHTF-OAHLLOKOSA-N 2 2 262.422 2.358 10 0 CEAELP c1ccc(C[N@H+]2CCSC[C@]23CCC[NH2+]C3)cc1 ZINC000096949204 185137804 /nfs/dbraw/zinc/13/78/04/185137804.db2.gz GQTZPESQBBTHTF-OAHLLOKOSA-N 2 2 262.422 2.358 10 0 CEAELP COC[C@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000131700494 539263282 /nfs/dbraw/zinc/26/32/82/539263282.db2.gz QTSHDUAPGOWDKL-HIFRSBDPSA-N 2 2 250.386 2.161 10 0 CEAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)nc[nH+]2)C1 ZINC000153033194 136394734 /nfs/dbraw/zinc/39/47/34/136394734.db2.gz CNSLPVOYKNASHY-ZDUSSCGKSA-N 2 2 289.427 2.219 10 0 CEAELP C[C@H]1CCCN(c2cc(NC3CC[NH+](C)CC3)[nH+]cn2)C1 ZINC000153033194 136394735 /nfs/dbraw/zinc/39/47/35/136394735.db2.gz CNSLPVOYKNASHY-ZDUSSCGKSA-N 2 2 289.427 2.219 10 0 CEAELP C[NH2+][C@@H](C[NH3+])c1cc(Br)ccc1Cl ZINC000234424957 344584806 /nfs/dbraw/zinc/58/48/06/344584806.db2.gz QLQLHRFOCRVIKS-VIFPVBQESA-N 2 2 263.566 2.322 10 0 CEAELP Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328625299 344756168 /nfs/dbraw/zinc/75/61/68/344756168.db2.gz CYJPPMGBSGATPD-HNNXBMFYSA-N 2 2 297.406 2.356 10 0 CEAELP Nc1ccc(N[C@H]2CCC[N@@H+](Cc3ccncc3)CC2)c[nH+]1 ZINC000328625299 344756170 /nfs/dbraw/zinc/75/61/70/344756170.db2.gz CYJPPMGBSGATPD-HNNXBMFYSA-N 2 2 297.406 2.356 10 0 CEAELP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000085360368 179032272 /nfs/dbraw/zinc/03/22/72/179032272.db2.gz ASYFOAFQBVVENU-LSDHHAIUSA-N 2 2 284.363 2.328 10 0 CEAELP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000085360364 179032422 /nfs/dbraw/zinc/03/24/22/179032422.db2.gz ASYFOAFQBVVENU-GJZGRUSLSA-N 2 2 284.363 2.328 10 0 CEAELP C[C@@H]([NH3+])c1ccccc1Nc1cc[nH+]c(N(C)C)n1 ZINC000085432775 179060211 /nfs/dbraw/zinc/06/02/11/179060211.db2.gz ZKJUTLGNFAJJJT-SNVBAGLBSA-N 2 2 257.341 2.306 10 0 CEAELP CCC[C@@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000085455482 179067695 /nfs/dbraw/zinc/06/76/95/179067695.db2.gz JUGXWAWSRQJUSZ-CQSZACIVSA-N 2 2 264.417 2.126 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476081 179079426 /nfs/dbraw/zinc/07/94/26/179079426.db2.gz WLXJFUQLRZSZAR-MCIONIFRSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CCOC ZINC000085476081 179079430 /nfs/dbraw/zinc/07/94/30/179079430.db2.gz WLXJFUQLRZSZAR-MCIONIFRSA-N 2 2 256.434 2.367 10 0 CEAELP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1CCCn1cc[nH+]c1 ZINC000085504284 179084763 /nfs/dbraw/zinc/08/47/63/179084763.db2.gz FCCLBVGNOXKQSH-DOTOQJQBSA-N 2 2 284.407 2.308 10 0 CEAELP CC[C@]1(C)C[NH2+][C@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085515063 179086581 /nfs/dbraw/zinc/08/65/81/179086581.db2.gz VPWSBOPGJWFZQH-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@]1(C)C[NH2+][C@](C)(C2CC2)C[N@H+]1CCn1cccn1 ZINC000085515063 179086583 /nfs/dbraw/zinc/08/65/83/179086583.db2.gz VPWSBOPGJWFZQH-CVEARBPZSA-N 2 2 276.428 2.126 10 0 CEAELP CCC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085497990 179083309 /nfs/dbraw/zinc/08/33/09/179083309.db2.gz MHPKMJNHEBONKA-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085497990 179083310 /nfs/dbraw/zinc/08/33/10/179083310.db2.gz MHPKMJNHEBONKA-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085498236 179083796 /nfs/dbraw/zinc/08/37/96/179083796.db2.gz LHXCHRGNTUNHLP-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000085498236 179083797 /nfs/dbraw/zinc/08/37/97/179083797.db2.gz LHXCHRGNTUNHLP-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085524858 179089164 /nfs/dbraw/zinc/08/91/64/179089164.db2.gz KPDWCPFXHHQXMW-PVAVHDDUSA-N 2 2 290.455 2.372 10 0 CEAELP CC[C@@H](C)[C@@H]1CN[C@H](C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085524858 179089166 /nfs/dbraw/zinc/08/91/66/179089166.db2.gz KPDWCPFXHHQXMW-PVAVHDDUSA-N 2 2 290.455 2.372 10 0 CEAELP CC(C)(C)c1nc2c(n1CCCn1cc[nH+]c1)CC[NH2+]C2 ZINC000085568586 179095220 /nfs/dbraw/zinc/09/52/20/179095220.db2.gz QJLAMHNRBNENFQ-UHFFFAOYSA-N 2 2 287.411 2.113 10 0 CEAELP C[NH2+][C@H](Cc1ccc(Br)s1)C[NH+](C)C ZINC000085798881 179173196 /nfs/dbraw/zinc/17/31/96/179173196.db2.gz WTYJTPDIBNDZJP-MRVPVSSYSA-N 2 2 277.231 2.203 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@H+](C)Cc1ccccc1C ZINC000085921935 179200756 /nfs/dbraw/zinc/20/07/56/179200756.db2.gz TXHQHABTHMWIIS-MRXNPFEDSA-N 2 2 264.413 2.177 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@@H+](C)Cc1ccccc1C ZINC000085921935 179200759 /nfs/dbraw/zinc/20/07/59/179200759.db2.gz TXHQHABTHMWIIS-MRXNPFEDSA-N 2 2 264.413 2.177 10 0 CEAELP CCOC[C@H](C)[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086173886 179245015 /nfs/dbraw/zinc/24/50/15/179245015.db2.gz SLCCKLDHKDNUOP-RRFJBIMHSA-N 2 2 256.434 2.366 10 0 CEAELP CCOC[C@H](C)[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086173886 179245017 /nfs/dbraw/zinc/24/50/17/179245017.db2.gz SLCCKLDHKDNUOP-RRFJBIMHSA-N 2 2 256.434 2.366 10 0 CEAELP Cn1cc[nH+]c1CN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000086264789 179260979 /nfs/dbraw/zinc/26/09/79/179260979.db2.gz BESGHSLKGQQQBZ-HNNXBMFYSA-N 2 2 284.407 2.345 10 0 CEAELP CC[C@@H](COC)[N@@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086267461 179261911 /nfs/dbraw/zinc/26/19/11/179261911.db2.gz YQNQGYWAWNLUAU-RRFJBIMHSA-N 2 2 254.418 2.120 10 0 CEAELP CC[C@@H](COC)[N@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086267461 179261913 /nfs/dbraw/zinc/26/19/13/179261913.db2.gz YQNQGYWAWNLUAU-RRFJBIMHSA-N 2 2 254.418 2.120 10 0 CEAELP C1CCC2(CC1)C[N@@H+]([C@@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285926 179263668 /nfs/dbraw/zinc/26/36/68/179263668.db2.gz QEQUFRQAMLPIHQ-MRXNPFEDSA-N 3 2 277.456 2.079 10 0 CEAELP C1CCC2(CC1)C[N@H+]([C@@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285926 179263669 /nfs/dbraw/zinc/26/36/69/179263669.db2.gz QEQUFRQAMLPIHQ-MRXNPFEDSA-N 3 2 277.456 2.079 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291488 179266468 /nfs/dbraw/zinc/26/64/68/179266468.db2.gz NBWXRBNSOIFAGC-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291488 179266469 /nfs/dbraw/zinc/26/64/69/179266469.db2.gz NBWXRBNSOIFAGC-NVXWUHKLSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292483 179266764 /nfs/dbraw/zinc/26/67/64/179266764.db2.gz IINTYZJAQGLXCT-KBPBESRZSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)(C)[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292483 179266765 /nfs/dbraw/zinc/26/67/65/179266765.db2.gz IINTYZJAQGLXCT-KBPBESRZSA-N 2 2 254.418 2.123 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130229790 365935447 /nfs/dbraw/zinc/93/54/47/365935447.db2.gz OQKDNFXVWXNZBB-NFAWXSAZSA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130229790 365935457 /nfs/dbraw/zinc/93/54/57/365935457.db2.gz OQKDNFXVWXNZBB-NFAWXSAZSA-N 2 2 258.365 2.337 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838191 179351477 /nfs/dbraw/zinc/35/14/77/179351477.db2.gz YJMOMLYSFXLSTQ-KBPBESRZSA-N 2 2 287.411 2.254 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2nnc3ccccn32)CC1 ZINC000086838191 179351479 /nfs/dbraw/zinc/35/14/79/179351479.db2.gz YJMOMLYSFXLSTQ-KBPBESRZSA-N 2 2 287.411 2.254 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837156 179351610 /nfs/dbraw/zinc/35/16/10/179351610.db2.gz AIUBWRADBQHKIV-HNNXBMFYSA-N 3 2 264.417 2.126 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086837156 179351611 /nfs/dbraw/zinc/35/16/11/179351611.db2.gz AIUBWRADBQHKIV-HNNXBMFYSA-N 3 2 264.417 2.126 10 0 CEAELP COCC[NH2+][C@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851702 179359272 /nfs/dbraw/zinc/35/92/72/179359272.db2.gz KJXYCTHFUMGSEJ-OAHLLOKOSA-N 2 2 297.468 2.469 10 0 CEAELP COCC[NH2+][C@]1(c2nccs2)CCC[N@H+](C(C)C)CC1 ZINC000086851702 179359274 /nfs/dbraw/zinc/35/92/74/179359274.db2.gz KJXYCTHFUMGSEJ-OAHLLOKOSA-N 2 2 297.468 2.469 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851774 179359319 /nfs/dbraw/zinc/35/93/19/179359319.db2.gz FCIKISYOBYYGQY-HNNXBMFYSA-N 2 2 280.416 2.415 10 0 CEAELP CC(C)[N@H+]1CCC[C@@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851774 179359321 /nfs/dbraw/zinc/35/93/21/179359321.db2.gz FCIKISYOBYYGQY-HNNXBMFYSA-N 2 2 280.416 2.415 10 0 CEAELP CC1CCC([N@H+](C)[C@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875218 179365658 /nfs/dbraw/zinc/36/56/58/179365658.db2.gz CXFYLGBJQLEKJN-YMAMQOFZSA-N 2 2 254.418 2.395 10 0 CEAELP CC1CCC([N@@H+](C)[C@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875218 179365659 /nfs/dbraw/zinc/36/56/59/179365659.db2.gz CXFYLGBJQLEKJN-YMAMQOFZSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047939 179388198 /nfs/dbraw/zinc/38/81/98/179388198.db2.gz OMZNNIZLFWMIJB-CQSZACIVSA-N 2 2 268.445 2.392 10 0 CEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCC(C)(C)CC1 ZINC000087047939 179388200 /nfs/dbraw/zinc/38/82/00/179388200.db2.gz OMZNNIZLFWMIJB-CQSZACIVSA-N 2 2 268.445 2.392 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnnc3ccccc32)CC1 ZINC000616629955 348540444 /nfs/dbraw/zinc/54/04/44/348540444.db2.gz WXHUBTMGKXNEPL-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnnc3ccccc32)CC1 ZINC000616629955 348540449 /nfs/dbraw/zinc/54/04/49/348540449.db2.gz WXHUBTMGKXNEPL-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]C[C@@H]([NH2+]C1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000087911706 179519146 /nfs/dbraw/zinc/51/91/46/179519146.db2.gz ZXVFTOPJVHFEAC-CQSZACIVSA-N 2 2 276.380 2.380 10 0 CEAELP O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693966 180026171 /nfs/dbraw/zinc/02/61/71/180026171.db2.gz YLFUQHISAIMBTL-GDBMZVCRSA-N 2 2 287.407 2.089 10 0 CEAELP O=C(C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693966 180026173 /nfs/dbraw/zinc/02/61/73/180026173.db2.gz YLFUQHISAIMBTL-GDBMZVCRSA-N 2 2 287.407 2.089 10 0 CEAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873648 180049614 /nfs/dbraw/zinc/04/96/14/180049614.db2.gz YSLNCWZSWQCZKY-KBMXLJTQSA-N 2 2 274.408 2.453 10 0 CEAELP C[NH2+][C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873648 180049615 /nfs/dbraw/zinc/04/96/15/180049615.db2.gz YSLNCWZSWQCZKY-KBMXLJTQSA-N 2 2 274.408 2.453 10 0 CEAELP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875314 180050789 /nfs/dbraw/zinc/05/07/89/180050789.db2.gz XHHKDTFSRNWPGP-YUELXQCFSA-N 2 2 260.381 2.192 10 0 CEAELP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875314 180050792 /nfs/dbraw/zinc/05/07/92/180050792.db2.gz XHHKDTFSRNWPGP-YUELXQCFSA-N 2 2 260.381 2.192 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895632 180055781 /nfs/dbraw/zinc/05/57/81/180055781.db2.gz LUUGGRVSBDCPJW-OAHLLOKOSA-N 2 2 289.354 2.444 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898934 180058107 /nfs/dbraw/zinc/05/81/07/180058107.db2.gz PMIQBQKZVFAGJW-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898934 180058109 /nfs/dbraw/zinc/05/81/09/180058109.db2.gz PMIQBQKZVFAGJW-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907552 180061779 /nfs/dbraw/zinc/06/17/79/180061779.db2.gz FPLUPDFRCSWQLG-IJEWVQPXSA-N 2 2 260.381 2.248 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907552 180061781 /nfs/dbraw/zinc/06/17/81/180061781.db2.gz FPLUPDFRCSWQLG-IJEWVQPXSA-N 2 2 260.381 2.248 10 0 CEAELP C[NH2+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907470 180061874 /nfs/dbraw/zinc/06/18/74/180061874.db2.gz UGZSODIJIBLPST-XHSDSOJGSA-N 2 2 260.381 2.200 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907470 180061877 /nfs/dbraw/zinc/06/18/77/180061877.db2.gz UGZSODIJIBLPST-XHSDSOJGSA-N 2 2 260.381 2.200 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907839 180062417 /nfs/dbraw/zinc/06/24/17/180062417.db2.gz XDKLNHFRVGQPCM-OKILXGFUSA-N 2 2 264.369 2.142 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907839 180062419 /nfs/dbraw/zinc/06/24/19/180062419.db2.gz XDKLNHFRVGQPCM-OKILXGFUSA-N 2 2 264.369 2.142 10 0 CEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017684 180087385 /nfs/dbraw/zinc/08/73/85/180087385.db2.gz LHMMDLRCWOTYOC-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP C[N@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017684 180087388 /nfs/dbraw/zinc/08/73/88/180087388.db2.gz LHMMDLRCWOTYOC-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP CC[N@H+](CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362515 180141866 /nfs/dbraw/zinc/14/18/66/180141866.db2.gz CHAQRXIWIFWGJD-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP CC[N@@H+](CCOC)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362515 180141867 /nfs/dbraw/zinc/14/18/67/180141867.db2.gz CHAQRXIWIFWGJD-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091273572 180118033 /nfs/dbraw/zinc/11/80/33/180118033.db2.gz XLGPPWHVCDGASN-JKSUJKDBSA-N 2 2 271.364 2.384 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)NCc1c[nH+]cn1C1CC1 ZINC000091275366 180118655 /nfs/dbraw/zinc/11/86/55/180118655.db2.gz STGIHBBKLPZOJP-CYBMUJFWSA-N 2 2 264.417 2.284 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N1CCc2ccccc21 ZINC000091276173 180118695 /nfs/dbraw/zinc/11/86/95/180118695.db2.gz JLQNRJWWHGYVGR-HNNXBMFYSA-N 2 2 268.364 2.281 10 0 CEAELP CCCN1C(=O)CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275594 180118725 /nfs/dbraw/zinc/11/87/25/180118725.db2.gz VVXAMCDNRIFIBJ-SWLSCSKDSA-N 2 2 276.384 2.009 10 0 CEAELP CCCN(C(C)C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276226 180119800 /nfs/dbraw/zinc/11/98/00/180119800.db2.gz QPRQZMJLLRPOOH-CYBMUJFWSA-N 2 2 250.390 2.338 10 0 CEAELP Cc1csc([C@H](C)[NH2+]CC[C@@H]2CSCC[NH2+]2)n1 ZINC000091292345 180123549 /nfs/dbraw/zinc/12/35/49/180123549.db2.gz SSPUBOWCWVRIFC-WDEREUQCSA-N 2 2 271.455 2.197 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@@H]1C[NH2+]CCO1)n2C1CC1 ZINC000091293203 180124327 /nfs/dbraw/zinc/12/43/27/180124327.db2.gz ASXZYXTYRYHXNL-CYBMUJFWSA-N 2 2 271.364 2.211 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461675 180161776 /nfs/dbraw/zinc/16/17/76/180161776.db2.gz XGMNXUDPUHVHGG-XZQMRNSJSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461675 180161780 /nfs/dbraw/zinc/16/17/80/180161780.db2.gz XGMNXUDPUHVHGG-XZQMRNSJSA-N 2 2 280.387 2.307 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)[N@H+](C)CC1CC(O)C1 ZINC000091464588 180163228 /nfs/dbraw/zinc/16/32/28/180163228.db2.gz HWWUGMHDDLVULQ-PPVZGCELSA-N 2 2 288.844 2.493 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)[N@@H+](C)CC1CC(O)C1 ZINC000091464588 180163229 /nfs/dbraw/zinc/16/32/29/180163229.db2.gz HWWUGMHDDLVULQ-PPVZGCELSA-N 2 2 288.844 2.493 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599675 180202253 /nfs/dbraw/zinc/20/22/53/180202253.db2.gz PIXHWFDFNFZTBS-HOTGVXAUSA-N 2 2 280.460 2.370 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607207 180203969 /nfs/dbraw/zinc/20/39/69/180203969.db2.gz WUVKKVNXISOLNP-IRXDYDNUSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@](C)(CC)N1CCCC1 ZINC000091607207 180203972 /nfs/dbraw/zinc/20/39/72/180203972.db2.gz WUVKKVNXISOLNP-IRXDYDNUSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](Cc1cc[nH+]c(N)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607165 180204664 /nfs/dbraw/zinc/20/46/64/180204664.db2.gz UNOGKRILMUSESH-WBVHZDCISA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@](C)([C@H]([NH2+]C)[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC000091609634 180205546 /nfs/dbraw/zinc/20/55/46/180205546.db2.gz CEJPCAUSQFWKRI-RBSFLKMASA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@@H](C1CCCC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643155 180214120 /nfs/dbraw/zinc/21/41/20/180214120.db2.gz JUCWWCFBFPNGPN-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646627 180215495 /nfs/dbraw/zinc/21/54/95/180215495.db2.gz HJOSEPHUDZYSLE-CYBMUJFWSA-N 2 2 263.385 2.270 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716487 180232973 /nfs/dbraw/zinc/23/29/73/180232973.db2.gz KGBMAWWKRYKAND-CQSZACIVSA-N 3 2 250.390 2.046 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721159 180238165 /nfs/dbraw/zinc/23/81/65/180238165.db2.gz AOUJLIBFENOVHQ-BZUAXINKSA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721159 180238167 /nfs/dbraw/zinc/23/81/67/180238167.db2.gz AOUJLIBFENOVHQ-BZUAXINKSA-N 2 2 260.381 2.119 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926552 180287635 /nfs/dbraw/zinc/28/76/35/180287635.db2.gz YQNLXONSJSOSCU-MRXNPFEDSA-N 2 2 285.391 2.241 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092054170 180312859 /nfs/dbraw/zinc/31/28/59/180312859.db2.gz TXJOJXAACYMABS-CZUORRHYSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054170 180312861 /nfs/dbraw/zinc/31/28/61/180312861.db2.gz TXJOJXAACYMABS-CZUORRHYSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054644 180313897 /nfs/dbraw/zinc/31/38/97/180313897.db2.gz FKDCSYPGOBHAMU-HUUCEWRRSA-N 2 2 292.423 2.375 10 0 CEAELP CC[NH2+][C@H](C)c1ccc(C)cc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054644 180313898 /nfs/dbraw/zinc/31/38/98/180313898.db2.gz FKDCSYPGOBHAMU-HUUCEWRRSA-N 2 2 292.423 2.375 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302577 180359560 /nfs/dbraw/zinc/35/95/60/180359560.db2.gz UGHMNCZQKGCZPC-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc21 ZINC000092302577 180359562 /nfs/dbraw/zinc/35/95/62/180359562.db2.gz UGHMNCZQKGCZPC-KGLIPLIRSA-N 2 2 260.381 2.237 10 0 CEAELP CC[C@@H]1C[N@@H+]([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342342 180366013 /nfs/dbraw/zinc/36/60/13/180366013.db2.gz SGYVVMSBLNEVMA-WCQYABFASA-N 2 2 251.374 2.426 10 0 CEAELP CC[C@@H]1C[N@H+]([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342342 180366014 /nfs/dbraw/zinc/36/60/14/180366014.db2.gz SGYVVMSBLNEVMA-WCQYABFASA-N 2 2 251.374 2.426 10 0 CEAELP CCCC1(C(=O)Nc2cc[nH+]c(C)c2)CC[NH2+]CC1 ZINC000092349800 180367232 /nfs/dbraw/zinc/36/72/32/180367232.db2.gz RYGHSYRUCHOWBE-UHFFFAOYSA-N 2 2 261.369 2.498 10 0 CEAELP CNc1cccc(CN2CC[NH+](C(C)(C)C)CC2)[nH+]1 ZINC000092369765 180369948 /nfs/dbraw/zinc/36/99/48/180369948.db2.gz BAGVBOWIDNSJPK-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([NH2+]CC(C)C)CCC2 ZINC000092384826 180373494 /nfs/dbraw/zinc/37/34/94/180373494.db2.gz DOGDAUAXPQNALW-MRXNPFEDSA-N 2 2 262.397 2.431 10 0 CEAELP CC[N@H+](CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944268 186335373 /nfs/dbraw/zinc/33/53/73/186335373.db2.gz UBRGTLGZIKGNCB-CQSZACIVSA-N 2 2 266.360 2.278 10 0 CEAELP CC[N@@H+](CCOc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110944268 186335375 /nfs/dbraw/zinc/33/53/75/186335375.db2.gz UBRGTLGZIKGNCB-CQSZACIVSA-N 2 2 266.360 2.278 10 0 CEAELP c1ccc2c(NCC[C@H]3CCC[NH2+]C3)cn[nH+]c2c1 ZINC000110793287 186325033 /nfs/dbraw/zinc/32/50/33/186325033.db2.gz UVHAIOKVTXYJGN-GFCCVEGCSA-N 2 2 256.353 2.431 10 0 CEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154760 186360844 /nfs/dbraw/zinc/36/08/44/186360844.db2.gz SAVUHVVVUWZXHK-KEYYUXOJSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154760 186360846 /nfs/dbraw/zinc/36/08/46/186360846.db2.gz SAVUHVVVUWZXHK-KEYYUXOJSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111155908 186361374 /nfs/dbraw/zinc/36/13/74/186361374.db2.gz FBWRVMXKDHVSDO-CXAGYDPISA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111155908 186361376 /nfs/dbraw/zinc/36/13/76/186361376.db2.gz FBWRVMXKDHVSDO-CXAGYDPISA-N 2 2 292.423 2.442 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)ccc1F ZINC000111157685 186361427 /nfs/dbraw/zinc/36/14/27/186361427.db2.gz ZEJOIUVWEQBXMT-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)ccc1F ZINC000111157685 186361429 /nfs/dbraw/zinc/36/14/29/186361429.db2.gz ZEJOIUVWEQBXMT-XJKSGUPXSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000111158158 186362370 /nfs/dbraw/zinc/36/23/70/186362370.db2.gz PVWQWKTZIGRYHY-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1F ZINC000111158158 186362371 /nfs/dbraw/zinc/36/23/71/186362371.db2.gz PVWQWKTZIGRYHY-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000111116602 186353643 /nfs/dbraw/zinc/35/36/43/186353643.db2.gz RIJZIYZJCXFNKP-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000111116602 186353645 /nfs/dbraw/zinc/35/36/45/186353645.db2.gz RIJZIYZJCXFNKP-HNNXBMFYSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@H+](CC)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118726 186354941 /nfs/dbraw/zinc/35/49/41/186354941.db2.gz CAJYEFRBXOCNAX-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C ZINC000111118726 186354942 /nfs/dbraw/zinc/35/49/42/186354942.db2.gz CAJYEFRBXOCNAX-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH+](C)CCC[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000111147698 186359447 /nfs/dbraw/zinc/35/94/47/186359447.db2.gz SQGQNCBRQKIVFL-UHFFFAOYSA-N 3 2 299.503 2.055 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000111147698 186359449 /nfs/dbraw/zinc/35/94/49/186359449.db2.gz SQGQNCBRQKIVFL-UHFFFAOYSA-N 3 2 299.503 2.055 10 0 CEAELP [NH3+]C[C@@H]([C@@H]1CCCOC1)[NH+]1CCC2(CCCC2)CC1 ZINC000111321270 186397714 /nfs/dbraw/zinc/39/77/14/186397714.db2.gz DNMMEBDBHHPMAL-CABCVRRESA-N 2 2 266.429 2.397 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csnn2)C1 ZINC000122937201 187060913 /nfs/dbraw/zinc/06/09/13/187060913.db2.gz JFMVZHHCCIEXGM-LBPRGKRZSA-N 2 2 277.397 2.134 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csnn2)C1 ZINC000122937201 187060914 /nfs/dbraw/zinc/06/09/14/187060914.db2.gz JFMVZHHCCIEXGM-LBPRGKRZSA-N 2 2 277.397 2.134 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245626600 539952595 /nfs/dbraw/zinc/95/25/95/539952595.db2.gz PCTLSPRZNYYVBY-RBSFLKMASA-N 2 2 275.396 2.119 10 0 CEAELP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245626600 539952597 /nfs/dbraw/zinc/95/25/97/539952597.db2.gz PCTLSPRZNYYVBY-RBSFLKMASA-N 2 2 275.396 2.119 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384793863 540218276 /nfs/dbraw/zinc/21/82/76/540218276.db2.gz XFMJMZKELUUNQF-BZUAXINKSA-N 2 2 268.445 2.392 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384793863 540218277 /nfs/dbraw/zinc/21/82/77/540218277.db2.gz XFMJMZKELUUNQF-BZUAXINKSA-N 2 2 268.445 2.392 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151267105 366634309 /nfs/dbraw/zinc/63/43/09/366634309.db2.gz KZXGHKSFYOFGKD-CHWSQXEVSA-N 2 2 268.426 2.246 10 0 CEAELP CCC[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180566710 189262241 /nfs/dbraw/zinc/26/22/41/189262241.db2.gz ADQLAFYURKXWFO-STQMWFEESA-N 2 2 277.416 2.265 10 0 CEAELP CC[N@H+]1CCC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000112075888 364772340 /nfs/dbraw/zinc/77/23/40/364772340.db2.gz WAXKPEZZMGNLPC-AWEZNQCLSA-N 2 2 289.427 2.363 10 0 CEAELP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1[nH+]ccn1C ZINC000070443584 299349217 /nfs/dbraw/zinc/34/92/17/299349217.db2.gz XAKWXXGSUXGNHE-ZFWWWQNUSA-N 2 2 272.396 2.374 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839719 367580629 /nfs/dbraw/zinc/58/06/29/367580629.db2.gz KBLXAYSHKZVFCS-QWRGUYRKSA-N 2 2 253.415 2.293 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839719 367580634 /nfs/dbraw/zinc/58/06/34/367580634.db2.gz KBLXAYSHKZVFCS-QWRGUYRKSA-N 2 2 253.415 2.293 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890589 367611619 /nfs/dbraw/zinc/61/16/19/367611619.db2.gz SXGUDUBYNCJQBP-UONOGXRCSA-N 2 2 262.401 2.038 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)OC(C)C)C1 ZINC000173698334 367936310 /nfs/dbraw/zinc/93/63/10/367936310.db2.gz OKUTUWKQJFUDCK-CQSZACIVSA-N 2 2 293.411 2.424 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000173698334 367936315 /nfs/dbraw/zinc/93/63/15/367936315.db2.gz OKUTUWKQJFUDCK-CQSZACIVSA-N 2 2 293.411 2.424 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254620 371083034 /nfs/dbraw/zinc/08/30/34/371083034.db2.gz ZXZSMJSOLDBQPE-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254620 371083043 /nfs/dbraw/zinc/08/30/43/371083043.db2.gz ZXZSMJSOLDBQPE-IAGOWNOFSA-N 2 2 276.424 2.318 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254067 371083467 /nfs/dbraw/zinc/08/34/67/371083467.db2.gz ZXZSMJSOLDBQPE-DLBZAZTESA-N 2 2 276.424 2.318 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](COC)Cc2ccccc2)C1 ZINC000247254067 371083474 /nfs/dbraw/zinc/08/34/74/371083474.db2.gz ZXZSMJSOLDBQPE-DLBZAZTESA-N 2 2 276.424 2.318 10 0 CEAELP C[C@@H](Cc1ccccc1)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587669 371217597 /nfs/dbraw/zinc/21/75/97/371217597.db2.gz QKQGWDPRNOVQRK-RDJZCZTQSA-N 2 2 276.424 2.128 10 0 CEAELP C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248587669 371217600 /nfs/dbraw/zinc/21/76/00/371217600.db2.gz QKQGWDPRNOVQRK-RDJZCZTQSA-N 2 2 276.424 2.128 10 0 CEAELP C[C@@H](CC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000249037051 371284910 /nfs/dbraw/zinc/28/49/10/371284910.db2.gz SWQRLIDPJOOYQO-RDJZCZTQSA-N 2 2 276.424 2.443 10 0 CEAELP C[C@@H](CC[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000249037051 371284913 /nfs/dbraw/zinc/28/49/13/371284913.db2.gz SWQRLIDPJOOYQO-RDJZCZTQSA-N 2 2 276.424 2.443 10 0 CEAELP C[C@@H]1COCC[C@H]1[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000249117609 371296401 /nfs/dbraw/zinc/29/64/01/371296401.db2.gz SQNYJOYXOXYMBS-FVQBIDKESA-N 2 2 262.397 2.304 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000250241040 371381463 /nfs/dbraw/zinc/38/14/63/371381463.db2.gz HHSQHDALPATEMF-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000250241040 371381469 /nfs/dbraw/zinc/38/14/69/371381469.db2.gz HHSQHDALPATEMF-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP Cc1cccc([C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000261605776 371675468 /nfs/dbraw/zinc/67/54/68/371675468.db2.gz BDBYDALMICGVIM-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1cccc([C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000261605776 371675472 /nfs/dbraw/zinc/67/54/72/371675472.db2.gz BDBYDALMICGVIM-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP CCCOc1ccc(OCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261646580 371690526 /nfs/dbraw/zinc/69/05/26/371690526.db2.gz PGRYAODQMHXTLT-XJKSGUPXSA-N 2 2 278.396 2.133 10 0 CEAELP CCCOc1ccc(OCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261646580 371690534 /nfs/dbraw/zinc/69/05/34/371690534.db2.gz PGRYAODQMHXTLT-XJKSGUPXSA-N 2 2 278.396 2.133 10 0 CEAELP CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000261661235 371695784 /nfs/dbraw/zinc/69/57/84/371695784.db2.gz GYVPNJZEZQKNOD-HNNXBMFYSA-N 2 2 274.368 2.357 10 0 CEAELP CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000261661235 371695792 /nfs/dbraw/zinc/69/57/92/371695792.db2.gz GYVPNJZEZQKNOD-HNNXBMFYSA-N 2 2 274.368 2.357 10 0 CEAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc2cccnc12 ZINC000262060592 371814863 /nfs/dbraw/zinc/81/48/63/371814863.db2.gz RDIOSZHIZJYGKR-DOMZBBRYSA-N 2 2 255.365 2.322 10 0 CEAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc2cccnc12 ZINC000262060592 371814872 /nfs/dbraw/zinc/81/48/72/371814872.db2.gz RDIOSZHIZJYGKR-DOMZBBRYSA-N 2 2 255.365 2.322 10 0 CEAELP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262082681 371819574 /nfs/dbraw/zinc/81/95/74/371819574.db2.gz FJGUDYFBQOKVIL-NVXWUHKLSA-N 2 2 290.407 2.168 10 0 CEAELP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262082681 371819578 /nfs/dbraw/zinc/81/95/78/371819578.db2.gz FJGUDYFBQOKVIL-NVXWUHKLSA-N 2 2 290.407 2.168 10 0 CEAELP C[N@H+](Cc1noc(C[NH3+])n1)CC12CC3CC(CC(C3)C1)C2 ZINC000262281332 371846009 /nfs/dbraw/zinc/84/60/09/371846009.db2.gz USMHYRNWPNVZGZ-UHFFFAOYSA-N 2 2 290.411 2.177 10 0 CEAELP C[N@@H+](Cc1noc(C[NH3+])n1)CC12CC3CC(CC(C3)C1)C2 ZINC000262281332 371846015 /nfs/dbraw/zinc/84/60/15/371846015.db2.gz USMHYRNWPNVZGZ-UHFFFAOYSA-N 2 2 290.411 2.177 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCC2 ZINC000389550348 375305676 /nfs/dbraw/zinc/30/56/76/375305676.db2.gz OIYBTXOOEFZQKU-MGPQQGTHSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000389550348 375305683 /nfs/dbraw/zinc/30/56/83/375305683.db2.gz OIYBTXOOEFZQKU-MGPQQGTHSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nc(N(C)C)cc[nH+]1 ZINC000302049239 379318856 /nfs/dbraw/zinc/31/88/56/379318856.db2.gz ZQSXGEWXFGSBHR-AWEZNQCLSA-N 2 2 299.422 2.475 10 0 CEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nc(N(C)C)cc[nH+]1 ZINC000302049239 379318861 /nfs/dbraw/zinc/31/88/61/379318861.db2.gz ZQSXGEWXFGSBHR-AWEZNQCLSA-N 2 2 299.422 2.475 10 0 CEAELP CCn1cc[nH+]c1C[C@@H](O)[C@](C)(CC)[NH+]1CCCCC1 ZINC000094144530 184756534 /nfs/dbraw/zinc/75/65/34/184756534.db2.gz JWWHXUXRIKQXGP-ZBFHGGJFSA-N 2 2 279.428 2.461 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H](CCCOC)[NH2+]CC ZINC000094160841 184757551 /nfs/dbraw/zinc/75/75/51/184757551.db2.gz RKBUHNWHYBISDO-CYBMUJFWSA-N 2 2 253.390 2.240 10 0 CEAELP Cn1cc[nH+]c1C[C@@H]([NH3+])CSC1CCCCC1 ZINC000094161108 184758044 /nfs/dbraw/zinc/75/80/44/184758044.db2.gz JTDBDUIMNMHXOJ-LLVKDONJSA-N 2 2 253.415 2.356 10 0 CEAELP COc1cccc(C[N@H+](C)[C@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473405 184807718 /nfs/dbraw/zinc/80/77/18/184807718.db2.gz DRFGLSDPECWIIX-SWLSCSKDSA-N 2 2 280.437 2.350 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473405 184807719 /nfs/dbraw/zinc/80/77/19/184807719.db2.gz DRFGLSDPECWIIX-SWLSCSKDSA-N 2 2 280.437 2.350 10 0 CEAELP C[C@@H](CCCO)[NH2+][C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000094943114 184898309 /nfs/dbraw/zinc/89/83/09/184898309.db2.gz UJPGJWBYOYMXNC-GWCFXTLKSA-N 2 2 256.777 2.090 10 0 CEAELP CCOC(=O)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896156 130036447 /nfs/dbraw/zinc/03/64/47/130036447.db2.gz ZTBGMRJXLGYJNY-CYBMUJFWSA-N 2 2 287.363 2.476 10 0 CEAELP C[N@@H+]1CCc2[nH+]c3c(c(N)c2C1)CCN3c1ccccc1 ZINC000005738061 394459053 /nfs/dbraw/zinc/45/90/53/394459053.db2.gz GVLNQIRRUFOYRQ-UHFFFAOYSA-N 2 2 280.375 2.346 10 0 CEAELP C[N@H+]1CCc2[nH+]c3c(c(N)c2C1)CCN3c1ccccc1 ZINC000005738061 394459057 /nfs/dbraw/zinc/45/90/57/394459057.db2.gz GVLNQIRRUFOYRQ-UHFFFAOYSA-N 2 2 280.375 2.346 10 0 CEAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135001 394509516 /nfs/dbraw/zinc/50/95/16/394509516.db2.gz AGYHKWFBOPPCNZ-BFHYXJOUSA-N 2 2 284.444 2.425 10 0 CEAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135001 394509519 /nfs/dbraw/zinc/50/95/19/394509519.db2.gz AGYHKWFBOPPCNZ-BFHYXJOUSA-N 2 2 284.444 2.425 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553586 395216604 /nfs/dbraw/zinc/21/66/04/395216604.db2.gz PUICNQCOHVQZQU-OUCADQQQSA-N 2 2 276.380 2.249 10 0 CEAELP c1ccc2[nH+]c(NCCC3CC[NH2+]CC3)ccc2c1 ZINC000650311960 400867888 /nfs/dbraw/zinc/86/78/88/400867888.db2.gz HEOMJQNYEDOMLH-UHFFFAOYSA-N 2 2 255.365 2.458 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C12CCOCC2 ZINC000249053345 286284582 /nfs/dbraw/zinc/28/45/82/286284582.db2.gz XBZRNAPVGPUXLF-NUEKZKHPSA-N 2 2 296.455 2.033 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C12CCOCC2 ZINC000249053345 286284583 /nfs/dbraw/zinc/28/45/83/286284583.db2.gz XBZRNAPVGPUXLF-NUEKZKHPSA-N 2 2 296.455 2.033 10 0 CEAELP C[C@@](C[NH3+])(CCc1ccccc1)[NH+]1CCSCC1 ZINC000020257125 171111788 /nfs/dbraw/zinc/11/17/88/171111788.db2.gz IZWKIEZVZDHURV-HNNXBMFYSA-N 2 2 264.438 2.385 10 0 CEAELP CCOc1cc([C@H](C[NH3+])[NH+](C)C)ccc1OC(F)F ZINC000022177383 171371660 /nfs/dbraw/zinc/37/16/60/171371660.db2.gz CZXOYEWFTAGHQX-JTQLQIEISA-N 2 2 274.311 2.248 10 0 CEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2cc(F)ccc2s1 ZINC000037205187 173027827 /nfs/dbraw/zinc/02/78/27/173027827.db2.gz AWXZCLHYTYQLMX-SECBINFHSA-N 2 2 262.313 2.401 10 0 CEAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nc2cc(F)ccc2s1 ZINC000037205187 173027829 /nfs/dbraw/zinc/02/78/29/173027829.db2.gz AWXZCLHYTYQLMX-SECBINFHSA-N 2 2 262.313 2.401 10 0 CEAELP COc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCO2 ZINC000037249444 173062117 /nfs/dbraw/zinc/06/21/17/173062117.db2.gz CXBCLTUEQZNTKK-HNNXBMFYSA-N 2 2 287.363 2.395 10 0 CEAELP C[N@H+](Cc1cc(N)ccc1Cl)C1CC[NH+](C)CC1 ZINC000037403021 173179455 /nfs/dbraw/zinc/17/94/55/173179455.db2.gz ZQKMSQXSHODXEV-UHFFFAOYSA-N 2 2 267.804 2.448 10 0 CEAELP C[N@@H+](Cc1cc(N)ccc1Cl)C1CC[NH+](C)CC1 ZINC000037403021 173179458 /nfs/dbraw/zinc/17/94/58/173179458.db2.gz ZQKMSQXSHODXEV-UHFFFAOYSA-N 2 2 267.804 2.448 10 0 CEAELP COc1cccc(C2CC([NH2+]C[C@H](C)[NH+](C)C)C2)c1 ZINC000038087777 174100864 /nfs/dbraw/zinc/10/08/64/174100864.db2.gz OGFITHHIJZMEBY-GRTSSRMGSA-N 2 2 262.397 2.481 10 0 CEAELP CCN1CCC[C@H]([NH2+]C2CC[NH+](CC=C(C)C)CC2)C1 ZINC000040502889 174299321 /nfs/dbraw/zinc/29/93/21/174299321.db2.gz PYUFUIIQEBZJSB-KRWDZBQOSA-N 2 2 279.472 2.491 10 0 CEAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)CCO2 ZINC000040639287 174363915 /nfs/dbraw/zinc/36/39/15/174363915.db2.gz OXADXAWOOACDJQ-LBPRGKRZSA-N 2 2 271.364 2.248 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2o1 ZINC000040750049 174394834 /nfs/dbraw/zinc/39/48/34/174394834.db2.gz MFRHPLXJGUTIQE-YOGCLGLASA-N 2 2 257.337 2.282 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2o1 ZINC000040750049 174394836 /nfs/dbraw/zinc/39/48/36/174394836.db2.gz MFRHPLXJGUTIQE-YOGCLGLASA-N 2 2 257.337 2.282 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccsc2)no1 ZINC000040750254 174395372 /nfs/dbraw/zinc/39/53/72/174395372.db2.gz OKIYMLUZQDBGSI-YOGCLGLASA-N 2 2 290.392 2.252 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccsc2)no1 ZINC000040750254 174395374 /nfs/dbraw/zinc/39/53/74/174395374.db2.gz OKIYMLUZQDBGSI-YOGCLGLASA-N 2 2 290.392 2.252 10 0 CEAELP CC[C@@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@@H]1[NH3+] ZINC000122955500 414791736 /nfs/dbraw/zinc/79/17/36/414791736.db2.gz KOBKYMUYRJIAAM-NEPJUHHUSA-N 2 2 258.369 2.137 10 0 CEAELP c1cn(Cc2cccc(N[C@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000043326792 175008319 /nfs/dbraw/zinc/00/83/19/175008319.db2.gz PKPOXTXAPDSCFC-HNNXBMFYSA-N 2 2 256.353 2.095 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043335946 175012149 /nfs/dbraw/zinc/01/21/49/175012149.db2.gz PPZNCLRGAZBDOL-GDBMZVCRSA-N 3 2 279.428 2.332 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340849 175014167 /nfs/dbraw/zinc/01/41/67/175014167.db2.gz QBCOUFXXIUMOAL-RDJZCZTQSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340849 175014169 /nfs/dbraw/zinc/01/41/69/175014169.db2.gz QBCOUFXXIUMOAL-RDJZCZTQSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCC1 ZINC000043348336 175018871 /nfs/dbraw/zinc/01/88/71/175018871.db2.gz HKKKPXUWANWDFT-HZPDHXFCSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCC1 ZINC000043348336 175018872 /nfs/dbraw/zinc/01/88/72/175018872.db2.gz HKKKPXUWANWDFT-HZPDHXFCSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348322 175018975 /nfs/dbraw/zinc/01/89/75/175018975.db2.gz RAZDGZOPJPFQHL-SJORKVTESA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348322 175018976 /nfs/dbraw/zinc/01/89/76/175018976.db2.gz RAZDGZOPJPFQHL-SJORKVTESA-N 2 2 291.439 2.487 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](C[NH3+])c1ccc(C)o1 ZINC000043365183 175026903 /nfs/dbraw/zinc/02/69/03/175026903.db2.gz IAAAJZJVDXFJHK-CYBMUJFWSA-N 2 2 254.374 2.071 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](C[NH3+])c1ccc(C)o1 ZINC000043365183 175026904 /nfs/dbraw/zinc/02/69/04/175026904.db2.gz IAAAJZJVDXFJHK-CYBMUJFWSA-N 2 2 254.374 2.071 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884037 175117017 /nfs/dbraw/zinc/11/70/17/175117017.db2.gz PWLOGUKLHURVJH-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884037 175117019 /nfs/dbraw/zinc/11/70/19/175117019.db2.gz PWLOGUKLHURVJH-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895594 175119087 /nfs/dbraw/zinc/11/90/87/175119087.db2.gz GZEKPLFGVMRXFH-RRFJBIMHSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)[C@@H](C)C(C)C)OCCO2 ZINC000043895594 175119088 /nfs/dbraw/zinc/11/90/88/175119088.db2.gz GZEKPLFGVMRXFH-RRFJBIMHSA-N 2 2 284.444 2.236 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897808 175120622 /nfs/dbraw/zinc/12/06/22/175120622.db2.gz ODNBBMBJOQOGTE-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897808 175120624 /nfs/dbraw/zinc/12/06/24/175120624.db2.gz ODNBBMBJOQOGTE-MCIONIFRSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897631 175120662 /nfs/dbraw/zinc/12/06/62/175120662.db2.gz CSFOLZZJEICNIH-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897631 175120664 /nfs/dbraw/zinc/12/06/64/175120664.db2.gz CSFOLZZJEICNIH-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898362 175121552 /nfs/dbraw/zinc/12/15/52/175121552.db2.gz UUXPHPIWQUKBNT-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898362 175121553 /nfs/dbraw/zinc/12/15/53/175121553.db2.gz UUXPHPIWQUKBNT-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](C[N@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969087 175130795 /nfs/dbraw/zinc/13/07/95/175130795.db2.gz RRHOBZUHQZFQRX-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H](C[N@@H+](C)[C@@H](C)COC)c1ccccc1C ZINC000043969087 175130797 /nfs/dbraw/zinc/13/07/97/175130797.db2.gz RRHOBZUHQZFQRX-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@@H](C[N@H+](CCCOC)CCOC)c1ccccc1C ZINC000043970909 175131958 /nfs/dbraw/zinc/13/19/58/175131958.db2.gz NZEHZRARZYWMCE-KRWDZBQOSA-N 2 2 294.439 2.240 10 0 CEAELP C[NH2+][C@@H](C[N@@H+](CCCOC)CCOC)c1ccccc1C ZINC000043970909 175131959 /nfs/dbraw/zinc/13/19/59/175131959.db2.gz NZEHZRARZYWMCE-KRWDZBQOSA-N 2 2 294.439 2.240 10 0 CEAELP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557655 175202710 /nfs/dbraw/zinc/20/27/10/175202710.db2.gz QFBJZDWGGQAAKM-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000044557655 175202711 /nfs/dbraw/zinc/20/27/11/175202711.db2.gz QFBJZDWGGQAAKM-OAHLLOKOSA-N 2 2 262.397 2.495 10 0 CEAELP CCCC(C[NH3+])(CCC)C(=O)NCCCCn1cc[nH+]c1 ZINC000045107997 175308970 /nfs/dbraw/zinc/30/89/70/175308970.db2.gz YRIJDLFYUBHNLO-UHFFFAOYSA-N 2 2 294.443 2.325 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374964 175365690 /nfs/dbraw/zinc/36/56/90/175365690.db2.gz NHDMAAAIRVJUQI-OAHLLOKOSA-N 2 2 270.417 2.040 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420042 175378618 /nfs/dbraw/zinc/37/86/18/175378618.db2.gz WHJGGHKLFRZGDZ-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420042 175378620 /nfs/dbraw/zinc/37/86/20/175378620.db2.gz WHJGGHKLFRZGDZ-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[N@H+](C[C@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044818 176030042 /nfs/dbraw/zinc/03/00/42/176030042.db2.gz XPQXIOJAILWPMT-OAHLLOKOSA-N 2 2 262.397 2.360 10 0 CEAELP CC[N@@H+](C[C@H]1OCCc2ccccc21)C(C)(C)C[NH3+] ZINC000071044818 176030044 /nfs/dbraw/zinc/03/00/44/176030044.db2.gz XPQXIOJAILWPMT-OAHLLOKOSA-N 2 2 262.397 2.360 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](CCCOC)CCOC ZINC000071161920 176046178 /nfs/dbraw/zinc/04/61/78/176046178.db2.gz KNSRLTBGGHZJBT-HOTGVXAUSA-N 2 2 286.460 2.269 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000071161920 176046179 /nfs/dbraw/zinc/04/61/79/176046179.db2.gz KNSRLTBGGHZJBT-HOTGVXAUSA-N 2 2 286.460 2.269 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191321 176069838 /nfs/dbraw/zinc/06/98/38/176069838.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191321 176069840 /nfs/dbraw/zinc/06/98/40/176069840.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191321 176069841 /nfs/dbraw/zinc/06/98/41/176069841.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191321 176069843 /nfs/dbraw/zinc/06/98/43/176069843.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 3 2 281.488 2.284 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191932 176071348 /nfs/dbraw/zinc/07/13/48/176071348.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191932 176071350 /nfs/dbraw/zinc/07/13/50/176071350.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191932 176071351 /nfs/dbraw/zinc/07/13/51/176071351.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191932 176071353 /nfs/dbraw/zinc/07/13/53/176071353.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CC1CCOCC1 ZINC000071359343 176137535 /nfs/dbraw/zinc/13/75/35/176137535.db2.gz ZHIBZVBQRPTWII-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CC1CCOCC1 ZINC000071359343 176137537 /nfs/dbraw/zinc/13/75/37/176137537.db2.gz ZHIBZVBQRPTWII-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP c1cn([C@H]2CCC[C@H]2[NH2+]Cc2cnn3ccccc23)c[nH+]1 ZINC000071373011 176138289 /nfs/dbraw/zinc/13/82/89/176138289.db2.gz AHFZLFMBWCIOSM-ZBFHGGJFSA-N 2 2 281.363 2.414 10 0 CEAELP C[N@H+](CC[NH3+])CCOc1cccc(Cl)c1Cl ZINC000076358505 177000552 /nfs/dbraw/zinc/00/05/52/177000552.db2.gz UKVMLTPTRDSZPK-UHFFFAOYSA-N 2 2 263.168 2.263 10 0 CEAELP C[N@@H+](CC[NH3+])CCOc1cccc(Cl)c1Cl ZINC000076358505 177000554 /nfs/dbraw/zinc/00/05/54/177000554.db2.gz UKVMLTPTRDSZPK-UHFFFAOYSA-N 2 2 263.168 2.263 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C12CCOCC2 ZINC000248991318 276345264 /nfs/dbraw/zinc/34/52/64/276345264.db2.gz LDMACCLWVDYODW-ARFHVFGLSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248991318 276345266 /nfs/dbraw/zinc/34/52/66/276345266.db2.gz LDMACCLWVDYODW-ARFHVFGLSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000255003992 277207833 /nfs/dbraw/zinc/20/78/33/277207833.db2.gz IOAGBFOCXFRONA-GJZGRUSLSA-N 2 2 290.407 2.178 10 0 CEAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C[NH3+] ZINC000255003992 277207835 /nfs/dbraw/zinc/20/78/35/277207835.db2.gz IOAGBFOCXFRONA-GJZGRUSLSA-N 2 2 290.407 2.178 10 0 CEAELP C[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)[C@@H]1C[NH3+] ZINC000079048722 277698961 /nfs/dbraw/zinc/69/89/61/277698961.db2.gz FDGHPOQDFCJHHJ-BXUZGUMPSA-N 2 2 258.369 2.137 10 0 CEAELP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248482426 280349826 /nfs/dbraw/zinc/34/98/26/280349826.db2.gz IWPBASLFPOHIFD-ILXRZTDVSA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248482426 280349827 /nfs/dbraw/zinc/34/98/27/280349827.db2.gz IWPBASLFPOHIFD-ILXRZTDVSA-N 2 2 254.418 2.075 10 0 CEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261745230 298186803 /nfs/dbraw/zinc/18/68/03/298186803.db2.gz PPVGIERCSXJNKQ-KBXIAJHMSA-N 2 2 295.471 2.129 10 0 CEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261745230 298186807 /nfs/dbraw/zinc/18/68/07/298186807.db2.gz PPVGIERCSXJNKQ-KBXIAJHMSA-N 2 2 295.471 2.129 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380292 519959039 /nfs/dbraw/zinc/95/90/39/519959039.db2.gz OFSFYJHELDVIDD-STQMWFEESA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000052380845 519990429 /nfs/dbraw/zinc/99/04/29/519990429.db2.gz RUHACQAGJRSBLR-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CC(C)[N@H+](C)CC[NH2+]CCCOc1ccccc1 ZINC000061815820 519626065 /nfs/dbraw/zinc/62/60/65/519626065.db2.gz QXYCZRZUDOIEHU-UHFFFAOYSA-N 2 2 250.386 2.385 10 0 CEAELP CC(C)[N@@H+](C)CC[NH2+]CCCOc1ccccc1 ZINC000061815820 519626069 /nfs/dbraw/zinc/62/60/69/519626069.db2.gz QXYCZRZUDOIEHU-UHFFFAOYSA-N 2 2 250.386 2.385 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000052180774 519742995 /nfs/dbraw/zinc/74/29/95/519742995.db2.gz LMLICLZZXWNIQU-IYBDPMFKSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)C[NH2+]CC1(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000052180774 519742997 /nfs/dbraw/zinc/74/29/97/519742997.db2.gz LMLICLZZXWNIQU-IYBDPMFKSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)N[C@@H](c1ccco1)c1[nH+]ccn1C ZINC000049198434 519814858 /nfs/dbraw/zinc/81/48/58/519814858.db2.gz KOLSFXXTTVXLOA-ZFWWWQNUSA-N 2 2 290.411 2.278 10 0 CEAELP CC(C)c1[nH+]ccn1[C@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053525281 519880596 /nfs/dbraw/zinc/88/05/96/519880596.db2.gz AEOBRTPAQGTILX-OLZOCXBDSA-N 2 2 251.374 2.336 10 0 CEAELP CCCC1CC[NH+]([C@H](c2cnn(C)c2)[C@H](C)[NH3+])CC1 ZINC000050892927 519903310 /nfs/dbraw/zinc/90/33/10/519903310.db2.gz GLYNIGYNFLMTLH-WFASDCNBSA-N 2 2 264.417 2.321 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[NH+]2CCC1CC2 ZINC000054603253 519908435 /nfs/dbraw/zinc/90/84/35/519908435.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 3 2 277.456 2.076 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C[NH+]2CCC1CC2 ZINC000054603253 519908437 /nfs/dbraw/zinc/90/84/37/519908437.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 3 2 277.456 2.076 10 0 CEAELP CCC[NH2+]C[C@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515223 519931252 /nfs/dbraw/zinc/93/12/52/519931252.db2.gz DGWBAIXGWMTCMW-HNNXBMFYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000061267293 519934991 /nfs/dbraw/zinc/93/49/91/519934991.db2.gz BUXWBIPPWMRYNS-OAHLLOKOSA-N 2 2 291.439 2.265 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000061267293 519934998 /nfs/dbraw/zinc/93/49/98/519934998.db2.gz BUXWBIPPWMRYNS-OAHLLOKOSA-N 2 2 291.439 2.265 10 0 CEAELP CCOCC[NH2+]CCn1c(CC)[nH+]c2ccccc21 ZINC000062808164 519966267 /nfs/dbraw/zinc/96/62/67/519966267.db2.gz RSAVURYRBLSEFB-UHFFFAOYSA-N 2 2 261.369 2.225 10 0 CEAELP CC[NH2+]C[C@H](C)c1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000061219069 519971672 /nfs/dbraw/zinc/97/16/72/519971672.db2.gz INGNFUHWPBHEKT-VIFPVBQESA-N 2 2 261.325 2.047 10 0 CEAELP CCC[NH2+][C@](Cn1cc[nH+]c1CC)(C(=O)OCC)C1CC1 ZINC000069193342 520125273 /nfs/dbraw/zinc/12/52/73/520125273.db2.gz DEGWXGABKGGAEZ-INIZCTEOSA-N 2 2 293.411 2.157 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674898 520215259 /nfs/dbraw/zinc/21/52/59/520215259.db2.gz ZERIFQGRZLFWJT-JSGCOSHPSA-N 2 2 276.380 2.235 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1C ZINC000061674898 520215268 /nfs/dbraw/zinc/21/52/68/520215268.db2.gz ZERIFQGRZLFWJT-JSGCOSHPSA-N 2 2 276.380 2.235 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053012705 520610880 /nfs/dbraw/zinc/61/08/80/520610880.db2.gz WCWRCIJXCMEXNZ-OAHLLOKOSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053012705 520610886 /nfs/dbraw/zinc/61/08/86/520610886.db2.gz WCWRCIJXCMEXNZ-OAHLLOKOSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052543973 521560369 /nfs/dbraw/zinc/56/03/69/521560369.db2.gz LRKQNBLDELTPHC-AWEZNQCLSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052543973 521560374 /nfs/dbraw/zinc/56/03/74/521560374.db2.gz LRKQNBLDELTPHC-AWEZNQCLSA-N 3 2 255.450 2.037 10 0 CEAELP CCc1nc(C2([NH2+]CCCn3cc[nH+]c3)CCCC2)no1 ZINC000182802416 522243469 /nfs/dbraw/zinc/24/34/69/522243469.db2.gz IYGNQYDVQQOVMH-UHFFFAOYSA-N 2 2 289.383 2.278 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818333 522346377 /nfs/dbraw/zinc/34/63/77/522346377.db2.gz NRETZMOIWMRXKD-KBPBESRZSA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(F)cc1F ZINC000062803134 522647585 /nfs/dbraw/zinc/64/75/85/522647585.db2.gz GHCWZMROJVIEJE-GFCCVEGCSA-N 2 2 265.307 2.489 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)C(C)(C)CC ZINC000069427662 522651966 /nfs/dbraw/zinc/65/19/66/522651966.db2.gz NFVVVTMFJNCBAO-CHWSQXEVSA-N 2 2 252.406 2.319 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)C(C)(C)CC ZINC000069427662 522651973 /nfs/dbraw/zinc/65/19/73/522651973.db2.gz NFVVVTMFJNCBAO-CHWSQXEVSA-N 2 2 252.406 2.319 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502435 522707848 /nfs/dbraw/zinc/70/78/48/522707848.db2.gz ICLVUJBVYASGMS-KRWDZBQOSA-N 2 2 285.391 2.345 10 0 CEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811973 523232032 /nfs/dbraw/zinc/23/20/32/523232032.db2.gz BMPXWVDGEHRMHM-ZDUSSCGKSA-N 2 2 262.353 2.401 10 0 CEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811973 523232044 /nfs/dbraw/zinc/23/20/44/523232044.db2.gz BMPXWVDGEHRMHM-ZDUSSCGKSA-N 2 2 262.353 2.401 10 0 CEAELP C[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000049596115 523987868 /nfs/dbraw/zinc/98/78/68/523987868.db2.gz XTXRKJMLZAVZFP-LBPRGKRZSA-N 2 2 299.212 2.122 10 0 CEAELP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)C1 ZINC000049596115 523987871 /nfs/dbraw/zinc/98/78/71/523987871.db2.gz XTXRKJMLZAVZFP-LBPRGKRZSA-N 2 2 299.212 2.122 10 0 CEAELP COC(=O)[C@](Cn1cc[nH+]c1C(C)C)([NH2+]C1CC1)C1CC1 ZINC000069191665 524005977 /nfs/dbraw/zinc/00/59/77/524005977.db2.gz UQXOZVOARTYVIO-MRXNPFEDSA-N 2 2 291.395 2.080 10 0 CEAELP C[C@@H](CC[NH2+]C(C)(C)C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417725 524498856 /nfs/dbraw/zinc/49/88/56/524498856.db2.gz IMNGXCFPXWNUFH-ZDUSSCGKSA-N 2 2 296.484 2.432 10 0 CEAELP Cc1cc(C[N@@H+]2CCCN(C)CC2)oc1C[NH2+]C(C)C ZINC000052424481 524679948 /nfs/dbraw/zinc/67/99/48/524679948.db2.gz BCILWEJKMHBONQ-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP Cc1cc(C[N@H+]2CCCN(C)CC2)oc1C[NH2+]C(C)C ZINC000052424481 524679956 /nfs/dbraw/zinc/67/99/56/524679956.db2.gz BCILWEJKMHBONQ-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])c2cccc3cccnc32)CCCO1 ZINC000069502774 525055394 /nfs/dbraw/zinc/05/53/94/525055394.db2.gz HUKPADJOLQIHEY-CJNGLKHVSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])c2cccc3cccnc32)CCCO1 ZINC000069502774 525055404 /nfs/dbraw/zinc/05/54/04/525055404.db2.gz HUKPADJOLQIHEY-CJNGLKHVSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@@H]1COCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475986 525128075 /nfs/dbraw/zinc/12/80/75/525128075.db2.gz KCACZDWFYURFSH-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1COCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052475986 525128079 /nfs/dbraw/zinc/12/80/79/525128079.db2.gz KCACZDWFYURFSH-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052505471 525133085 /nfs/dbraw/zinc/13/30/85/525133085.db2.gz YDDYNEXSDBQCHT-VIFPVBQESA-N 2 2 263.366 2.314 10 0 CEAELP C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052505471 525133092 /nfs/dbraw/zinc/13/30/92/525133092.db2.gz YDDYNEXSDBQCHT-VIFPVBQESA-N 2 2 263.366 2.314 10 0 CEAELP C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000067718641 525560706 /nfs/dbraw/zinc/56/07/06/525560706.db2.gz CRRHASICEQCLNF-GFCCVEGCSA-N 2 2 267.336 2.446 10 0 CEAELP Cc1cc2[nH+]cn(C[C@@H]3CC[C@@H](C[NH3+])O3)c2cc1C ZINC000052575663 525684193 /nfs/dbraw/zinc/68/41/93/525684193.db2.gz GEEFYBSPVAVEHU-STQMWFEESA-N 2 2 259.353 2.159 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)Cc2[nH+]ccn2C)s1 ZINC000062247369 525785086 /nfs/dbraw/zinc/78/50/86/525785086.db2.gz HEPMGDAMFFGDCD-BXUZGUMPSA-N 2 2 278.425 2.310 10 0 CEAELP Cc1oc(C[N@@H+]2CCO[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382364 526771991 /nfs/dbraw/zinc/77/19/91/526771991.db2.gz ZOCPDYFMRSNLEG-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[N@H+]2CCO[C@H](C)C2)cc1C[NH2+]C(C)C ZINC000052382364 526771998 /nfs/dbraw/zinc/77/19/98/526771998.db2.gz ZOCPDYFMRSNLEG-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1c(F)cccc1Cl ZINC000052304278 527198781 /nfs/dbraw/zinc/19/87/81/527198781.db2.gz KIPZPISOCQLHDP-UHFFFAOYSA-N 2 2 253.708 2.225 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000052304295 527199116 /nfs/dbraw/zinc/19/91/16/527199116.db2.gz KMFOAOWKQOXAPT-UHFFFAOYSA-N 2 2 269.270 2.451 10 0 CEAELP [NH3+]Cc1c[nH+]c2ccccc2c1N1CCC[C@H]1CCCO ZINC000052756747 527264176 /nfs/dbraw/zinc/26/41/76/527264176.db2.gz IGMFSAJBUZBTTI-AWEZNQCLSA-N 2 2 285.391 2.435 10 0 CEAELP Cc1nccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000054790135 527337225 /nfs/dbraw/zinc/33/72/25/527337225.db2.gz CZBXZJZVZFAWKN-UHFFFAOYSA-N 2 2 262.401 2.184 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@H](C)[NH2+]CC12CCCCC2 ZINC000068698848 527426221 /nfs/dbraw/zinc/42/62/21/527426221.db2.gz PRBWCCGBBQKFQI-CQSZACIVSA-N 2 2 276.428 2.188 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@H](C)[NH2+]CC12CCCCC2 ZINC000068698846 527426976 /nfs/dbraw/zinc/42/69/76/527426976.db2.gz PRBWCCGBBQKFQI-AWEZNQCLSA-N 2 2 276.428 2.188 10 0 CEAELP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328563045 627891038 /nfs/dbraw/zinc/89/10/38/627891038.db2.gz ITJCOIGUXUHIKY-BZIPOHERSA-N 2 2 270.376 2.096 10 0 CEAELP Cn1c[nH+]cc1-c1cc(NC2CC[NH2+]CC2)nc2[nH]ccc21 ZINC000072148358 641873003 /nfs/dbraw/zinc/87/30/03/641873003.db2.gz VIPISZCCDPWAED-UHFFFAOYSA-N 2 2 296.378 2.127 10 0 CEAELP Cc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)c1 ZINC000095525032 185003978 /nfs/dbraw/zinc/00/39/78/185003978.db2.gz UEGLEDPCAGEOKB-KRWDZBQOSA-N 2 2 297.402 2.073 10 0 CEAELP Cc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3)C[C@H](O)C2)c1 ZINC000095525032 185003981 /nfs/dbraw/zinc/00/39/81/185003981.db2.gz UEGLEDPCAGEOKB-KRWDZBQOSA-N 2 2 297.402 2.073 10 0 CEAELP C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000083799397 178748473 /nfs/dbraw/zinc/74/84/73/178748473.db2.gz SMRJXXRZFPUNJB-KBPBESRZSA-N 2 2 299.459 2.173 10 0 CEAELP C[N@H+](CC[NH3+])[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584595066 344961036 /nfs/dbraw/zinc/96/10/36/344961036.db2.gz OKFBJQJLWRUTRZ-DLBZAZTESA-N 2 2 270.376 2.352 10 0 CEAELP C[N@@H+](CC[NH3+])[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584595066 344961038 /nfs/dbraw/zinc/96/10/38/344961038.db2.gz OKFBJQJLWRUTRZ-DLBZAZTESA-N 2 2 270.376 2.352 10 0 CEAELP O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000054306533 362525255 /nfs/dbraw/zinc/52/52/55/362525255.db2.gz SDNIIQVRRLBYJE-ZDUSSCGKSA-N 2 2 284.363 2.201 10 0 CEAELP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127392656 187302877 /nfs/dbraw/zinc/30/28/77/187302877.db2.gz MTZHQEFBUMZDQH-SJORKVTESA-N 2 2 276.424 2.054 10 0 CEAELP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127392656 187302879 /nfs/dbraw/zinc/30/28/79/187302879.db2.gz MTZHQEFBUMZDQH-SJORKVTESA-N 2 2 276.424 2.054 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1CC)C[C@H](C)COC ZINC000097304668 185582868 /nfs/dbraw/zinc/58/28/68/185582868.db2.gz IBSFHPYUDFBADP-QWHCGFSZSA-N 2 2 253.390 2.096 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)[C@H]1OCCc2ccccc21 ZINC000097309707 185583167 /nfs/dbraw/zinc/58/31/67/185583167.db2.gz LEBSTELGXSUWPU-RDJZCZTQSA-N 2 2 285.391 2.255 10 0 CEAELP CC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@H](CC)C[NH2+]1 ZINC000085472464 179077071 /nfs/dbraw/zinc/07/70/71/179077071.db2.gz HJKJNEPHJGTISM-HIFRSBDPSA-N 2 2 272.396 2.297 10 0 CEAELP CC(C)(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085526618 179089762 /nfs/dbraw/zinc/08/97/62/179089762.db2.gz FQORMZHUXFMCPW-HZPDHXFCSA-N 2 2 290.455 2.372 10 0 CEAELP COCCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529231 179090680 /nfs/dbraw/zinc/09/06/80/179090680.db2.gz BSQODFJSPJJZEJ-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529231 179090683 /nfs/dbraw/zinc/09/06/83/179090683.db2.gz BSQODFJSPJJZEJ-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000085626974 179107237 /nfs/dbraw/zinc/10/72/37/179107237.db2.gz MVMRUIGOEOLGKX-BBRMVZONSA-N 2 2 284.407 2.297 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1Cc1cn2ccccc2n1 ZINC000085626974 179107240 /nfs/dbraw/zinc/10/72/40/179107240.db2.gz MVMRUIGOEOLGKX-BBRMVZONSA-N 2 2 284.407 2.297 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000085612598 179102864 /nfs/dbraw/zinc/10/28/64/179102864.db2.gz AXEHJOKBXTZGOQ-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+]C3(CCCC3)C2)n1 ZINC000085612598 179102866 /nfs/dbraw/zinc/10/28/66/179102866.db2.gz AXEHJOKBXTZGOQ-UHFFFAOYSA-N 2 2 275.396 2.198 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1Cc1cn2ccccc2n1 ZINC000085622711 179105231 /nfs/dbraw/zinc/10/52/31/179105231.db2.gz PVKREVCBGRCUAP-ZDUSSCGKSA-N 2 2 272.396 2.297 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1Cc1cn2ccccc2n1 ZINC000085622711 179105232 /nfs/dbraw/zinc/10/52/32/179105232.db2.gz PVKREVCBGRCUAP-ZDUSSCGKSA-N 2 2 272.396 2.297 10 0 CEAELP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085623545 179105728 /nfs/dbraw/zinc/10/57/28/179105728.db2.gz HPAURNDOPBTQNW-DGCLKSJQSA-N 2 2 294.361 2.418 10 0 CEAELP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085623545 179105729 /nfs/dbraw/zinc/10/57/29/179105729.db2.gz HPAURNDOPBTQNW-DGCLKSJQSA-N 2 2 294.361 2.418 10 0 CEAELP CC[NH2+][C@@H](CCO)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000085923312 179201738 /nfs/dbraw/zinc/20/17/38/179201738.db2.gz WFDKDRVEVWYOGU-ZDUSSCGKSA-N 2 2 261.369 2.014 10 0 CEAELP CO[C@H]1CCC[C@H]1[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086261384 179260554 /nfs/dbraw/zinc/26/05/54/179260554.db2.gz VPHQOXZTUZBQLH-MJBXVCDLSA-N 2 2 252.402 2.160 10 0 CEAELP CO[C@H]1CCC[C@H]1[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086261384 179260557 /nfs/dbraw/zinc/26/05/57/179260557.db2.gz VPHQOXZTUZBQLH-MJBXVCDLSA-N 2 2 252.402 2.160 10 0 CEAELP c1ccc(CC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)nc1 ZINC000086288184 179264512 /nfs/dbraw/zinc/26/45/12/179264512.db2.gz VUOLQSITXPTBEL-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP c1ccc(CC[N@H+]2CCC[NH2+]C3(CCCC3)C2)nc1 ZINC000086288184 179264513 /nfs/dbraw/zinc/26/45/13/179264513.db2.gz VUOLQSITXPTBEL-UHFFFAOYSA-N 2 2 259.397 2.232 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289950 179264619 /nfs/dbraw/zinc/26/46/19/179264619.db2.gz NFGROUDQLDIFKR-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2cnc(C)s2)CCC[NH2+]1 ZINC000086289950 179264621 /nfs/dbraw/zinc/26/46/21/179264621.db2.gz NFGROUDQLDIFKR-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291440 179265747 /nfs/dbraw/zinc/26/57/47/179265747.db2.gz QSLSKMQMGJRCST-GOEBONIOSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@H](C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291440 179265748 /nfs/dbraw/zinc/26/57/48/179265748.db2.gz QSLSKMQMGJRCST-GOEBONIOSA-N 3 2 267.461 2.038 10 0 CEAELP CCC1(CC)C[N@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292787 179266718 /nfs/dbraw/zinc/26/67/18/179266718.db2.gz VHBOMYKGEMNHLB-UHFFFAOYSA-N 2 2 251.374 2.337 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292787 179266720 /nfs/dbraw/zinc/26/67/20/179266720.db2.gz VHBOMYKGEMNHLB-UHFFFAOYSA-N 2 2 251.374 2.337 10 0 CEAELP C[NH2+][C@@H]1CCCc2sc(N(C)Cc3[nH+]ccn3C)nc21 ZINC000086444053 179293838 /nfs/dbraw/zinc/29/38/38/179293838.db2.gz HJODWGLDEMZQKV-SNVBAGLBSA-N 2 2 291.424 2.110 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Cl)s1 ZINC000086777801 179329181 /nfs/dbraw/zinc/32/91/81/179329181.db2.gz JVDQULURFNSUBR-CBLAIPOGSA-N 2 2 257.790 2.251 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Cl)s1 ZINC000086777801 179329183 /nfs/dbraw/zinc/32/91/83/179329183.db2.gz JVDQULURFNSUBR-CBLAIPOGSA-N 2 2 257.790 2.251 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000086845118 179354817 /nfs/dbraw/zinc/35/48/17/179354817.db2.gz GCGWRVOSGSEYGF-GFCCVEGCSA-N 2 2 253.415 2.497 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2cscn2)CC1 ZINC000086845118 179354819 /nfs/dbraw/zinc/35/48/19/179354819.db2.gz GCGWRVOSGSEYGF-GFCCVEGCSA-N 2 2 253.415 2.497 10 0 CEAELP CCCc1nc([C@@]2([NH3+])CCC[N@@H+](CCC)CC2)no1 ZINC000086851742 179359632 /nfs/dbraw/zinc/35/96/32/179359632.db2.gz KTYBBTBOEQURLH-CQSZACIVSA-N 2 2 266.389 2.072 10 0 CEAELP CCCc1nc([C@@]2([NH3+])CCC[N@H+](CCC)CC2)no1 ZINC000086851742 179359633 /nfs/dbraw/zinc/35/96/33/179359633.db2.gz KTYBBTBOEQURLH-CQSZACIVSA-N 2 2 266.389 2.072 10 0 CEAELP CCCc1nc([C@]2([NH3+])CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851736 179359766 /nfs/dbraw/zinc/35/97/66/179359766.db2.gz NPHFDCKSIHMPEH-AWEZNQCLSA-N 2 2 266.389 2.070 10 0 CEAELP CCCc1nc([C@]2([NH3+])CCC[N@H+](C(C)C)CC2)no1 ZINC000086851736 179359767 /nfs/dbraw/zinc/35/97/67/179359767.db2.gz NPHFDCKSIHMPEH-AWEZNQCLSA-N 2 2 266.389 2.070 10 0 CEAELP C[N@H+](Cc1ccccc1F)[C@]1(C[NH3+])CCCOCC1 ZINC000086875081 179364703 /nfs/dbraw/zinc/36/47/03/179364703.db2.gz OFLRRWIKNGWCCE-OAHLLOKOSA-N 2 2 266.360 2.156 10 0 CEAELP C[N@@H+](Cc1ccccc1F)[C@]1(C[NH3+])CCCOCC1 ZINC000086875081 179364704 /nfs/dbraw/zinc/36/47/04/179364704.db2.gz OFLRRWIKNGWCCE-OAHLLOKOSA-N 2 2 266.360 2.156 10 0 CEAELP CCCC1CC[NH+]([C@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875621 179365521 /nfs/dbraw/zinc/36/55/21/179365521.db2.gz SPFQYSZXEUAVAW-OAHLLOKOSA-N 2 2 254.418 2.397 10 0 CEAELP [NH3+]C[C@]1([NH+](CC2CC2)CC2CC2)CCCOCC1 ZINC000086875919 179365699 /nfs/dbraw/zinc/36/56/99/179365699.db2.gz RCUZGUYAVSCGIQ-HNNXBMFYSA-N 2 2 252.402 2.006 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045985 179388010 /nfs/dbraw/zinc/38/80/10/179388010.db2.gz OMMUHUXKJJAAIJ-CQSZACIVSA-N 2 2 268.445 2.390 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045985 179388012 /nfs/dbraw/zinc/38/80/12/179388012.db2.gz OMMUHUXKJJAAIJ-CQSZACIVSA-N 2 2 268.445 2.390 10 0 CEAELP CCc1cc(N(C)c2cccc(C(N)=[NH2+])c2)nc(C)[nH+]1 ZINC000088760097 179666976 /nfs/dbraw/zinc/66/69/76/179666976.db2.gz ULGUNNCJYQOITR-UHFFFAOYSA-N 2 2 269.352 2.399 10 0 CEAELP COc1cc2[nH]c([C@@H]3CCC[C@@H]3C[NH3+])[nH+]c2cc1OC ZINC000089425391 179786161 /nfs/dbraw/zinc/78/61/61/179786161.db2.gz KSYQAECDGDPNAV-NXEZZACHSA-N 2 2 275.352 2.423 10 0 CEAELP COCc1nc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655998 350075842 /nfs/dbraw/zinc/07/58/42/350075842.db2.gz KRCACRSMAJXDKV-LBPRGKRZSA-N 2 2 283.441 2.111 10 0 CEAELP COCc1nc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cs1 ZINC000623655998 350075845 /nfs/dbraw/zinc/07/58/45/350075845.db2.gz KRCACRSMAJXDKV-LBPRGKRZSA-N 2 2 283.441 2.111 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874226 180050038 /nfs/dbraw/zinc/05/00/38/180050038.db2.gz LNKKTJFCHHSCHR-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874226 180050040 /nfs/dbraw/zinc/05/00/40/180050040.db2.gz LNKKTJFCHHSCHR-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2ccccc2O1 ZINC000090877414 180052392 /nfs/dbraw/zinc/05/23/92/180052392.db2.gz FBTXXMDIJXLBKC-KBPBESRZSA-N 2 2 271.364 2.167 10 0 CEAELP CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894293 180056252 /nfs/dbraw/zinc/05/62/52/180056252.db2.gz RAAYZQQENJFKOB-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CC[N@@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090894293 180056254 /nfs/dbraw/zinc/05/62/54/180056254.db2.gz RAAYZQQENJFKOB-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C)O2 ZINC000090897797 180057051 /nfs/dbraw/zinc/05/70/51/180057051.db2.gz PIOOAYBJVAQCJE-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C)O2 ZINC000090897797 180057053 /nfs/dbraw/zinc/05/70/53/180057053.db2.gz PIOOAYBJVAQCJE-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CCC[N@H+](C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900144 180058997 /nfs/dbraw/zinc/05/89/97/180058997.db2.gz QKGDUJTVOOSWLA-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP CCC[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CC[NH2+]C1 ZINC000090900144 180058999 /nfs/dbraw/zinc/05/89/99/180058999.db2.gz QKGDUJTVOOSWLA-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP [NH3+]C[C@@H](C1CCCCCC1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905697 180060139 /nfs/dbraw/zinc/06/01/39/180060139.db2.gz ICQIUSHGUZTLCB-ZNMIVQPWSA-N 2 2 252.402 2.147 10 0 CEAELP [NH3+]C[C@@H](C1CCCCCC1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090905697 180060141 /nfs/dbraw/zinc/06/01/41/180060141.db2.gz ICQIUSHGUZTLCB-ZNMIVQPWSA-N 2 2 252.402 2.147 10 0 CEAELP C[NH2+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907585 180061826 /nfs/dbraw/zinc/06/18/26/180061826.db2.gz BNVANTBJDDHNLX-XHSDSOJGSA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907585 180061828 /nfs/dbraw/zinc/06/18/28/180061828.db2.gz BNVANTBJDDHNLX-XHSDSOJGSA-N 2 2 278.371 2.340 10 0 CEAELP CCCC1CC[NH+]([C@H](C[NH3+])CC(=O)NC(C)(C)C)CC1 ZINC000091321533 180134311 /nfs/dbraw/zinc/13/43/11/180134311.db2.gz AWKNDBFWTNIOPB-AWEZNQCLSA-N 2 2 283.460 2.131 10 0 CEAELP CCN(Cc1c[nH+]cn1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000091273022 180117698 /nfs/dbraw/zinc/11/76/98/180117698.db2.gz FEUXZAHHOFLZEX-CYBMUJFWSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)CN1CCC[C@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275641 180118621 /nfs/dbraw/zinc/11/86/21/180118621.db2.gz QTSMSCFABCCUGF-DZGCQCFKSA-N 2 2 262.401 2.338 10 0 CEAELP CC(C)(C)N1C(=O)CC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275543 180119150 /nfs/dbraw/zinc/11/91/50/180119150.db2.gz VTRFWJPVOIIDSM-RISCZKNCSA-N 2 2 276.384 2.007 10 0 CEAELP CC(C)CN([C@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CC1 ZINC000091276418 180119547 /nfs/dbraw/zinc/11/95/47/180119547.db2.gz VMRJFLMYHRVPNL-CQSZACIVSA-N 2 2 262.401 2.338 10 0 CEAELP CCC(CC)N(C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276270 180119816 /nfs/dbraw/zinc/11/98/16/180119816.db2.gz TWLBYAQFLLALFR-CYBMUJFWSA-N 2 2 250.390 2.338 10 0 CEAELP CC(C)CN([C@@H](C[NH3+])c1c[nH+]cn1C1CC1)C1CC1 ZINC000091276417 180119906 /nfs/dbraw/zinc/11/99/06/180119906.db2.gz VMRJFLMYHRVPNL-AWEZNQCLSA-N 2 2 262.401 2.338 10 0 CEAELP C[C@@H]1CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)[C@@H]1C ZINC000091276501 180119955 /nfs/dbraw/zinc/11/99/55/180119955.db2.gz KCBULAJYYIGQEL-BZPMIXESSA-N 2 2 262.401 2.338 10 0 CEAELP CCCCCN(C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276238 180120363 /nfs/dbraw/zinc/12/03/63/180120363.db2.gz CIBNTJLMQYOKHO-CYBMUJFWSA-N 2 2 250.390 2.340 10 0 CEAELP Cc1[nH+]cn(-c2cncc(C[NH2+]C(C)(C)C)n2)c1C ZINC000091422489 180151458 /nfs/dbraw/zinc/15/14/58/180151458.db2.gz GRRMLQXRFIDAMR-UHFFFAOYSA-N 2 2 259.357 2.167 10 0 CEAELP CCC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)[NH+](C)C ZINC000091571797 180196702 /nfs/dbraw/zinc/19/67/02/180196702.db2.gz HXEBXYUBJYJXQB-HZPDHXFCSA-N 3 2 278.444 2.305 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607168 180203962 /nfs/dbraw/zinc/20/39/62/180203962.db2.gz UNOGKRILMUSESH-DOTOQJQBSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCCC1 ZINC000091609681 180205231 /nfs/dbraw/zinc/20/52/31/180205231.db2.gz XSKMDPSOOPTRCT-SJORKVTESA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@](C)([C@@H](N)c1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091609140 180205446 /nfs/dbraw/zinc/20/54/46/180205446.db2.gz MLKXPDJOYCDVSL-LSDHHAIUSA-N 2 2 262.401 2.318 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609540 180205587 /nfs/dbraw/zinc/20/55/87/180205587.db2.gz DSPKWGHGIBZJGK-GOEBONIOSA-N 2 2 293.459 2.383 10 0 CEAELP CC[NH+](CC)C1([C@@H]([NH2+]C)[C@@H]2CCOC2)CCCC1 ZINC000091639431 180211988 /nfs/dbraw/zinc/21/19/88/180211988.db2.gz UCDKNTKMDDRVSV-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1ccnn1CC ZINC000091716395 180232617 /nfs/dbraw/zinc/23/26/17/180232617.db2.gz MPCDXFSBLXDMTM-CYBMUJFWSA-N 2 2 252.406 2.286 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccncc1Cl)C[NH+](C)C ZINC000091719950 180237145 /nfs/dbraw/zinc/23/71/45/180237145.db2.gz QSRRGNWCFRSILL-LBPRGKRZSA-N 2 2 255.793 2.207 10 0 CEAELP CC[NH2+][C@H](c1ccccc1OC)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721587 180238076 /nfs/dbraw/zinc/23/80/76/180238076.db2.gz RBGIWZZOPKUQDI-KBRIMQKVSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccccc1OC)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721587 180238077 /nfs/dbraw/zinc/23/80/77/180238077.db2.gz RBGIWZZOPKUQDI-KBRIMQKVSA-N 2 2 290.407 2.209 10 0 CEAELP CCC[NH2+]CCCc1c(C)nc(C[NH+](C)C)nc1C ZINC000091723654 180242053 /nfs/dbraw/zinc/24/20/53/180242053.db2.gz AJTSIKFSUVASEK-UHFFFAOYSA-N 2 2 264.417 2.087 10 0 CEAELP CCCn1c[nH+]cc1[C@H](O)C1(C[NH3+])CCCCC1 ZINC000091926341 180287584 /nfs/dbraw/zinc/28/75/84/180287584.db2.gz JIRPVKRJSQJBMA-ZDUSSCGKSA-N 2 2 251.374 2.236 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)[C@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926154 180287258 /nfs/dbraw/zinc/28/72/58/180287258.db2.gz XKWZOHRIMCNPQC-IAGOWNOFSA-N 2 2 285.391 2.070 10 0 CEAELP CCC[N@H+](Cc1nc(C)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000091996131 180302432 /nfs/dbraw/zinc/30/24/32/180302432.db2.gz MRLZFYFBEGITBJ-CYBMUJFWSA-N 2 2 263.385 2.060 10 0 CEAELP CCC[N@@H+](Cc1nc(C)ccc1O)[C@@H]1CCC[NH2+]C1 ZINC000091996131 180302434 /nfs/dbraw/zinc/30/24/34/180302434.db2.gz MRLZFYFBEGITBJ-CYBMUJFWSA-N 2 2 263.385 2.060 10 0 CEAELP CC(C)[NH2+]CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003712 180304473 /nfs/dbraw/zinc/30/44/73/180304473.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)[NH2+]CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003712 180304475 /nfs/dbraw/zinc/30/44/75/180304475.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)[NH2+]CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003712 180304476 /nfs/dbraw/zinc/30/44/76/180304476.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)[NH2+]CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003712 180304479 /nfs/dbraw/zinc/30/44/79/180304479.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP COc1cccc([C@H](C[NH3+])[NH2+]Cc2ccccc2)c1 ZINC000106024189 186098486 /nfs/dbraw/zinc/09/84/86/186098486.db2.gz XYOWXZDDQYHJAD-INIZCTEOSA-N 2 2 256.349 2.485 10 0 CEAELP CCC[NH2+]C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000092339771 180365359 /nfs/dbraw/zinc/36/53/59/180365359.db2.gz DUTHZKUHLBAHOF-UHFFFAOYSA-N 2 2 251.374 2.255 10 0 CEAELP CCC[NH+]1CCN(Cc2cccc(NCC)[nH+]2)CC1 ZINC000092367914 180370022 /nfs/dbraw/zinc/37/00/22/180370022.db2.gz HKTIKDPRSQSBQJ-UHFFFAOYSA-N 2 2 262.401 2.041 10 0 CEAELP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417237 180381493 /nfs/dbraw/zinc/38/14/93/180381493.db2.gz LNZFWYDFECHYMV-ZDUSSCGKSA-N 2 2 253.777 2.438 10 0 CEAELP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417237 180381495 /nfs/dbraw/zinc/38/14/95/180381495.db2.gz LNZFWYDFECHYMV-ZDUSSCGKSA-N 2 2 253.777 2.438 10 0 CEAELP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417255 180381535 /nfs/dbraw/zinc/38/15/35/180381535.db2.gz ZAWDPYYPCKWSHD-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417255 180381537 /nfs/dbraw/zinc/38/15/37/180381537.db2.gz ZAWDPYYPCKWSHD-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]1C[C@@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000107827784 186194166 /nfs/dbraw/zinc/19/41/66/186194166.db2.gz GMUYDFTUVYCKDC-MWLCHTKSSA-N 2 2 271.320 2.113 10 0 CEAELP COc1ccc(-c2cn3c([nH+]2)[C@H](C)C[C@@H]([NH3+])C3)c(OC)c1 ZINC000107827915 186194268 /nfs/dbraw/zinc/19/42/68/186194268.db2.gz AOIHRCYHBNWWSN-GHMZBOCLSA-N 2 2 287.363 2.402 10 0 CEAELP C[NH2+][C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554389 186262884 /nfs/dbraw/zinc/26/28/84/186262884.db2.gz PRAPIVDDJUXFOL-JSGCOSHPSA-N 2 2 278.396 2.276 10 0 CEAELP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000109554389 186262885 /nfs/dbraw/zinc/26/28/85/186262885.db2.gz PRAPIVDDJUXFOL-JSGCOSHPSA-N 2 2 278.396 2.276 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@H+](C)CC1CCOCC1 ZINC000111156472 186362842 /nfs/dbraw/zinc/36/28/42/186362842.db2.gz OSJBLKZSPIDPPF-SMDDNHRTSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccsc1)[N@@H+](C)CC1CCOCC1 ZINC000111156472 186362843 /nfs/dbraw/zinc/36/28/43/186362843.db2.gz OSJBLKZSPIDPPF-SMDDNHRTSA-N 2 2 268.426 2.495 10 0 CEAELP CCOCC[N@H+](CC)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117640 186355491 /nfs/dbraw/zinc/35/54/91/186355491.db2.gz JIRIXRVSECDTAM-KRWDZBQOSA-N 2 2 276.424 2.231 10 0 CEAELP CCOCC[N@@H+](CC)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000111117640 186355493 /nfs/dbraw/zinc/35/54/93/186355493.db2.gz JIRIXRVSECDTAM-KRWDZBQOSA-N 2 2 276.424 2.231 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155429 186360211 /nfs/dbraw/zinc/36/02/11/186360211.db2.gz OLSBOLUZOPHLGV-UONOGXRCSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111155429 186360213 /nfs/dbraw/zinc/36/02/13/186360213.db2.gz OLSBOLUZOPHLGV-UONOGXRCSA-N 2 2 256.434 2.497 10 0 CEAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)CC1CCOCC1 ZINC000111175523 186364805 /nfs/dbraw/zinc/36/48/05/186364805.db2.gz GLTMGYAYNXVJEL-HNNXBMFYSA-N 2 2 256.434 2.369 10 0 CEAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)CC1CCOCC1 ZINC000111175523 186364806 /nfs/dbraw/zinc/36/48/06/186364806.db2.gz GLTMGYAYNXVJEL-HNNXBMFYSA-N 2 2 256.434 2.369 10 0 CEAELP C[N@H+](Cc1ccco1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325149 186398090 /nfs/dbraw/zinc/39/80/90/186398090.db2.gz OIQAYIDPAMNSAU-INIZCTEOSA-N 2 2 278.396 2.260 10 0 CEAELP C[N@@H+](Cc1ccco1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325149 186398091 /nfs/dbraw/zinc/39/80/91/186398091.db2.gz OIQAYIDPAMNSAU-INIZCTEOSA-N 2 2 278.396 2.260 10 0 CEAELP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CCOCC2(C)C)CCCOC1 ZINC000111327709 186399740 /nfs/dbraw/zinc/39/97/40/186399740.db2.gz BXZZRJXXOPBZGT-KRWDZBQOSA-N 2 2 298.471 2.140 10 0 CEAELP CC(C)C[NH2+]C[C@]1(C[N@H+]2CCOCC2(C)C)CCCOC1 ZINC000111327709 186399742 /nfs/dbraw/zinc/39/97/42/186399742.db2.gz BXZZRJXXOPBZGT-KRWDZBQOSA-N 2 2 298.471 2.140 10 0 CEAELP CCc1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456497 363085392 /nfs/dbraw/zinc/08/53/92/363085392.db2.gz FJAZQGGZBDVIKZ-CQSZACIVSA-N 2 2 283.379 2.265 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361123 351712254 /nfs/dbraw/zinc/71/22/54/351712254.db2.gz LUJIYQPEPFHJNW-DZGCQCFKSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361123 351712262 /nfs/dbraw/zinc/71/22/62/351712262.db2.gz LUJIYQPEPFHJNW-DZGCQCFKSA-N 2 2 280.437 2.347 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000122839373 187054731 /nfs/dbraw/zinc/05/47/31/187054731.db2.gz GBCQGJALHPNIDC-HNNXBMFYSA-N 2 2 287.411 2.325 10 0 CEAELP Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133432767 187683833 /nfs/dbraw/zinc/68/38/33/187683833.db2.gz MRURHTOQLYXYFQ-QLFBSQMISA-N 2 2 262.397 2.413 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000178309331 189104356 /nfs/dbraw/zinc/10/43/56/189104356.db2.gz SJRATIYLMOELBN-GFCCVEGCSA-N 2 2 293.802 2.243 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000178309331 189104357 /nfs/dbraw/zinc/10/43/57/189104357.db2.gz SJRATIYLMOELBN-GFCCVEGCSA-N 2 2 293.802 2.243 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nccn1C(F)F ZINC000178310807 189105767 /nfs/dbraw/zinc/10/57/67/189105767.db2.gz YOFIBDUTCFRBJE-LBPRGKRZSA-N 2 2 295.337 2.448 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nccn1C(F)F ZINC000178310807 189105768 /nfs/dbraw/zinc/10/57/68/189105768.db2.gz YOFIBDUTCFRBJE-LBPRGKRZSA-N 2 2 295.337 2.448 10 0 CEAELP Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)cn1 ZINC000180052588 189235015 /nfs/dbraw/zinc/23/50/15/189235015.db2.gz JQKKVAKOBNEKFF-OAHLLOKOSA-N 2 2 281.363 2.405 10 0 CEAELP Cn1cc([C@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)cn1 ZINC000180052588 189235016 /nfs/dbraw/zinc/23/50/16/189235016.db2.gz JQKKVAKOBNEKFF-OAHLLOKOSA-N 2 2 281.363 2.405 10 0 CEAELP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000182100604 189314066 /nfs/dbraw/zinc/31/40/66/189314066.db2.gz PGQFHVYIGAOTAD-YGRLFVJLSA-N 2 2 293.411 2.039 10 0 CEAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000011848838 361366477 /nfs/dbraw/zinc/36/64/77/361366477.db2.gz MRZXMUDQTWUEOU-LLVKDONJSA-N 2 2 266.142 2.346 10 0 CEAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000011848839 361366653 /nfs/dbraw/zinc/36/66/53/361366653.db2.gz QKXJYJXWDBDHJZ-NSHDSACASA-N 2 2 266.142 2.346 10 0 CEAELP C[NH+](C)C[C@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000120611040 365450409 /nfs/dbraw/zinc/45/04/09/365450409.db2.gz NAEACGXOIBTNDE-HNNXBMFYSA-N 2 2 254.418 2.219 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000120611040 365450417 /nfs/dbraw/zinc/45/04/17/365450417.db2.gz NAEACGXOIBTNDE-HNNXBMFYSA-N 2 2 254.418 2.219 10 0 CEAELP C[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174650999 368051782 /nfs/dbraw/zinc/05/17/82/368051782.db2.gz VIHZWYYUBSHKKZ-GFCCVEGCSA-N 2 2 267.336 2.446 10 0 CEAELP COc1ccsc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000186122783 368922774 /nfs/dbraw/zinc/92/27/74/368922774.db2.gz BYRBLYASWYYVMR-STQMWFEESA-N 2 2 298.452 2.254 10 0 CEAELP CC(C)OCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273347 370121553 /nfs/dbraw/zinc/12/15/53/370121553.db2.gz YZIJPBLWHUZVEH-KRWDZBQOSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195273347 370121561 /nfs/dbraw/zinc/12/15/61/370121561.db2.gz YZIJPBLWHUZVEH-KRWDZBQOSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195273347 370121565 /nfs/dbraw/zinc/12/15/65/370121565.db2.gz YZIJPBLWHUZVEH-KRWDZBQOSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)OCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195273347 370121571 /nfs/dbraw/zinc/12/15/71/370121571.db2.gz YZIJPBLWHUZVEH-KRWDZBQOSA-N 2 2 291.439 2.260 10 0 CEAELP CC(C)n1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231669454 370485852 /nfs/dbraw/zinc/48/58/52/370485852.db2.gz DTRYJXWEVPYQNJ-CQSZACIVSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)n1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n1 ZINC000231669454 370485859 /nfs/dbraw/zinc/48/58/59/370485859.db2.gz DTRYJXWEVPYQNJ-CQSZACIVSA-N 2 2 250.390 2.038 10 0 CEAELP C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670481 370487588 /nfs/dbraw/zinc/48/75/88/370487588.db2.gz CKCGMTCJEHDXSJ-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231670481 370487592 /nfs/dbraw/zinc/48/75/92/370487592.db2.gz CKCGMTCJEHDXSJ-CQSZACIVSA-N 2 2 295.814 2.352 10 0 CEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248622553 371224895 /nfs/dbraw/zinc/22/48/95/371224895.db2.gz NPCCWJUTKHIROV-NFAWXSAZSA-N 2 2 271.368 2.317 10 0 CEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248622553 371224898 /nfs/dbraw/zinc/22/48/98/371224898.db2.gz NPCCWJUTKHIROV-NFAWXSAZSA-N 2 2 271.368 2.317 10 0 CEAELP OC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccsc1 ZINC000249599929 371345273 /nfs/dbraw/zinc/34/52/73/371345273.db2.gz XWUUOTMVSOUEAP-GJZGRUSLSA-N 2 2 291.420 2.043 10 0 CEAELP OC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1c1ccsc1 ZINC000249599929 371345274 /nfs/dbraw/zinc/34/52/74/371345274.db2.gz XWUUOTMVSOUEAP-GJZGRUSLSA-N 2 2 291.420 2.043 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000261995367 371795515 /nfs/dbraw/zinc/79/55/15/371795515.db2.gz SSXLISKZQPLOEV-AWEZNQCLSA-N 2 2 250.411 2.343 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000261995367 371795520 /nfs/dbraw/zinc/79/55/20/371795520.db2.gz SSXLISKZQPLOEV-AWEZNQCLSA-N 2 2 250.411 2.343 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(C)[nH+]1 ZINC000272916988 373711210 /nfs/dbraw/zinc/71/12/10/373711210.db2.gz SMHOXDCVSVCAMN-SMDDNHRTSA-N 2 2 260.385 2.020 10 0 CEAELP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc(C)[nH+]1 ZINC000272916988 373711216 /nfs/dbraw/zinc/71/12/16/373711216.db2.gz SMHOXDCVSVCAMN-SMDDNHRTSA-N 2 2 260.385 2.020 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)c1C ZINC000389283658 375302289 /nfs/dbraw/zinc/30/22/89/375302289.db2.gz VIEWRJIFOCTDGP-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)c1C ZINC000389283658 375302293 /nfs/dbraw/zinc/30/22/93/375302293.db2.gz VIEWRJIFOCTDGP-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP c1[nH+]cn(C2CC2)c1[C@H]1OCCC[C@H]1C[NH2+]C1CC1 ZINC000092887297 184633365 /nfs/dbraw/zinc/63/33/65/184633365.db2.gz DLVLAHBSKHYGQK-NHYWBVRUSA-N 2 2 261.369 2.438 10 0 CEAELP CC[NH2+][C@H]1[C@@H](C[N@H+](C)CCC[NH+](C)C)C(C)(C)OC1(C)C ZINC000094429796 184797392 /nfs/dbraw/zinc/79/73/92/184797392.db2.gz TXGDNTABMNLUIP-CABCVRRESA-N 3 2 299.503 2.052 10 0 CEAELP CC[NH2+][C@H]1[C@@H](C[N@@H+](C)CCC[NH+](C)C)C(C)(C)OC1(C)C ZINC000094429796 184797393 /nfs/dbraw/zinc/79/73/93/184797393.db2.gz TXGDNTABMNLUIP-CABCVRRESA-N 3 2 299.503 2.052 10 0 CEAELP CSC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189903805 130036833 /nfs/dbraw/zinc/03/68/33/130036833.db2.gz WSDWWSRDAZTRSS-WFASDCNBSA-N 2 2 291.420 2.247 10 0 CEAELP [NH3+]CC1([NH+]2CCN(c3ccccc3)CC2)CCSCC1 ZINC000042334954 134887231 /nfs/dbraw/zinc/88/72/31/134887231.db2.gz IQVHCRDHXCVFES-UHFFFAOYSA-N 2 2 291.464 2.033 10 0 CEAELP C[NH2+][C@H](C[NH+]1CCN(c2ccccc2)CC1)C(C)(C)C ZINC000043816623 134907301 /nfs/dbraw/zinc/90/73/01/134907301.db2.gz ZMSPPXYVZAFYIJ-MRXNPFEDSA-N 2 2 275.440 2.443 10 0 CEAELP C[C@@H]1CCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000086676604 135048318 /nfs/dbraw/zinc/04/83/18/135048318.db2.gz IQETVHJVIUZCNR-PBHICJAKSA-N 2 2 291.414 2.465 10 0 CEAELP CC[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181124859 395210245 /nfs/dbraw/zinc/21/02/45/395210245.db2.gz OVAWLFJROVMNFG-CQSZACIVSA-N 2 2 264.417 2.078 10 0 CEAELP CC[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181124859 395210250 /nfs/dbraw/zinc/21/02/50/395210250.db2.gz OVAWLFJROVMNFG-CQSZACIVSA-N 2 2 264.417 2.078 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)COC)C1 ZINC000173698957 165076163 /nfs/dbraw/zinc/07/61/63/165076163.db2.gz SKDQOXLNCCTISX-STQMWFEESA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC000173698957 165076167 /nfs/dbraw/zinc/07/61/67/165076167.db2.gz SKDQOXLNCCTISX-STQMWFEESA-N 2 2 251.374 2.117 10 0 CEAELP C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651467 165113472 /nfs/dbraw/zinc/11/34/72/165113472.db2.gz CEQQDBBXRIYXID-GFCCVEGCSA-N 2 2 267.336 2.446 10 0 CEAELP C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000035159887 172017898 /nfs/dbraw/zinc/01/78/98/172017898.db2.gz BPVMPKLPSOOBTG-UHFFFAOYSA-N 2 2 299.365 2.081 10 0 CEAELP Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CC[NH+](C)CC1 ZINC000035174383 172027821 /nfs/dbraw/zinc/02/78/21/172027821.db2.gz WVJITQISCJQMAX-UHFFFAOYSA-N 2 2 295.814 2.271 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000037174502 173008999 /nfs/dbraw/zinc/00/89/99/173008999.db2.gz HTMGRMKLGZCIQO-OCCSQVGLSA-N 2 2 266.410 2.132 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000037174502 173009000 /nfs/dbraw/zinc/00/90/00/173009000.db2.gz HTMGRMKLGZCIQO-OCCSQVGLSA-N 2 2 266.410 2.132 10 0 CEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443775 173212444 /nfs/dbraw/zinc/21/24/44/173212444.db2.gz DNVTZCFPYOLGLB-SECBINFHSA-N 2 2 261.716 2.182 10 0 CEAELP [NH3+][C@H](Cc1c[nH]c[nH+]1)c1nc2c(cccc2Cl)[nH]1 ZINC000037443775 173212445 /nfs/dbraw/zinc/21/24/45/173212445.db2.gz DNVTZCFPYOLGLB-SECBINFHSA-N 2 2 261.716 2.182 10 0 CEAELP COc1ccc(C[C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040639063 174362875 /nfs/dbraw/zinc/36/28/75/174362875.db2.gz FURWPRIGMHUVEZ-ZDUSSCGKSA-N 2 2 273.380 2.192 10 0 CEAELP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638713 174362930 /nfs/dbraw/zinc/36/29/30/174362930.db2.gz HAJIVELLSQETDP-LBPRGKRZSA-N 2 2 259.353 2.322 10 0 CEAELP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1O ZINC000040672153 174370038 /nfs/dbraw/zinc/37/00/38/174370038.db2.gz FVBFYQZIJNXGAW-AAEUAGOBSA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1O ZINC000040672153 174370039 /nfs/dbraw/zinc/37/00/39/174370039.db2.gz FVBFYQZIJNXGAW-AAEUAGOBSA-N 2 2 264.369 2.146 10 0 CEAELP CCOC1CC[NH+](C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690174 174377067 /nfs/dbraw/zinc/37/70/67/174377067.db2.gz ZCDINIOIMDPGKO-DZKIICNBSA-N 2 2 266.429 2.408 10 0 CEAELP CCc1nc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750188 174395051 /nfs/dbraw/zinc/39/50/51/174395051.db2.gz UZPLFFPZPLYFBJ-CLYYMRHHSA-N 2 2 251.399 2.160 10 0 CEAELP CCc1nc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cs1 ZINC000040750188 174395052 /nfs/dbraw/zinc/39/50/52/174395052.db2.gz UZPLFFPZPLYFBJ-CLYYMRHHSA-N 2 2 251.399 2.160 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000401793441 414753207 /nfs/dbraw/zinc/75/32/07/414753207.db2.gz DDEKQYJBSPNSRD-SGMGOOAPSA-N 2 2 278.396 2.352 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041663725 174595834 /nfs/dbraw/zinc/59/58/34/174595834.db2.gz GAOUMQFJYXPSPR-UHFFFAOYSA-N 2 2 281.363 2.143 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCCSCC1 ZINC000043335651 175011375 /nfs/dbraw/zinc/01/13/75/175011375.db2.gz OKZKVGCLBMOMGF-AAEUAGOBSA-N 2 2 254.399 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCCSCC1 ZINC000043335651 175011376 /nfs/dbraw/zinc/01/13/76/175011376.db2.gz OKZKVGCLBMOMGF-AAEUAGOBSA-N 2 2 254.399 2.497 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339595 175013565 /nfs/dbraw/zinc/01/35/65/175013565.db2.gz OCOGPYCCSCFSEF-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339595 175013566 /nfs/dbraw/zinc/01/35/66/175013566.db2.gz OCOGPYCCSCFSEF-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+]1CCCSCC1 ZINC000043339908 175013652 /nfs/dbraw/zinc/01/36/52/175013652.db2.gz YLOLGGOAQXNEJZ-TZMCWYRMSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+]1CCCSCC1 ZINC000043339908 175013653 /nfs/dbraw/zinc/01/36/53/175013653.db2.gz YLOLGGOAQXNEJZ-TZMCWYRMSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCOC)CC(C)C ZINC000043354390 175021158 /nfs/dbraw/zinc/02/11/58/175021158.db2.gz OYNIOHCCKLNUTQ-CVEARBPZSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCOC)CC(C)C ZINC000043354390 175021160 /nfs/dbraw/zinc/02/11/60/175021160.db2.gz OYNIOHCCKLNUTQ-CVEARBPZSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)[C@@H](C)COC ZINC000043364903 175025466 /nfs/dbraw/zinc/02/54/66/175025466.db2.gz CFUHNERCZLZHKN-ZKYQVNSYSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)[C@@H](C)COC ZINC000043364903 175025468 /nfs/dbraw/zinc/02/54/68/175025468.db2.gz CFUHNERCZLZHKN-ZKYQVNSYSA-N 2 2 254.374 2.333 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCCSCC2)o1 ZINC000043364684 175025663 /nfs/dbraw/zinc/02/56/63/175025663.db2.gz AMWZMKNNRXRFPH-DGCLKSJQSA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCCSCC2)o1 ZINC000043364684 175025664 /nfs/dbraw/zinc/02/56/64/175025664.db2.gz AMWZMKNNRXRFPH-DGCLKSJQSA-N 2 2 254.399 2.415 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCCOC)CCOC ZINC000043365048 175026233 /nfs/dbraw/zinc/02/62/33/175026233.db2.gz QZYWNQLVWRWZSP-GOEBONIOSA-N 2 2 298.427 2.351 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCCOC)CCOC ZINC000043365048 175026235 /nfs/dbraw/zinc/02/62/35/175026235.db2.gz QZYWNQLVWRWZSP-GOEBONIOSA-N 2 2 298.427 2.351 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394418 175035189 /nfs/dbraw/zinc/03/51/89/175035189.db2.gz LHMKNRMERAVGII-OAHLLOKOSA-N 2 2 250.386 2.272 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1cc(C)cc(C)c1 ZINC000043394418 175035190 /nfs/dbraw/zinc/03/51/90/175035190.db2.gz LHMKNRMERAVGII-OAHLLOKOSA-N 2 2 250.386 2.272 10 0 CEAELP CC[NH2+][C@@H](C[NH+]1CCCC1)c1ccc2c(c1)OCCO2 ZINC000043807363 175108069 /nfs/dbraw/zinc/10/80/69/175108069.db2.gz UOIBEIPMQIIVCA-AWEZNQCLSA-N 2 2 276.380 2.204 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815018 175111771 /nfs/dbraw/zinc/11/17/71/175111771.db2.gz KYALIEXRPOKIDZ-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815018 175111772 /nfs/dbraw/zinc/11/17/72/175111772.db2.gz KYALIEXRPOKIDZ-LSDHHAIUSA-N 2 2 282.428 2.135 10 0 CEAELP CC[C@@H]1C[N@@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892788 175118674 /nfs/dbraw/zinc/11/86/74/175118674.db2.gz AZPCZFNNLSNXAA-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1C[N@H+]([C@@H]2CCCCCC[C@@H]2[NH2+]C)CCO1 ZINC000043892788 175118676 /nfs/dbraw/zinc/11/86/76/175118676.db2.gz AZPCZFNNLSNXAA-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@H+](C)C2CCOCC2)C1 ZINC000043898150 175121502 /nfs/dbraw/zinc/12/15/02/175121502.db2.gz UAWXYWJJUMKVLA-VHDGCEQUSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H]1CC[C@H]([NH2+]C)[C@H]([N@@H+](C)C2CCOCC2)C1 ZINC000043898150 175121503 /nfs/dbraw/zinc/12/15/03/175121503.db2.gz UAWXYWJJUMKVLA-VHDGCEQUSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902252 175122863 /nfs/dbraw/zinc/12/28/63/175122863.db2.gz XPCRQQGDSMQNHV-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902252 175122864 /nfs/dbraw/zinc/12/28/64/175122864.db2.gz XPCRQQGDSMQNHV-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043915453 175124953 /nfs/dbraw/zinc/12/49/53/175124953.db2.gz VHTZYKWLISNYGT-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043915453 175124955 /nfs/dbraw/zinc/12/49/55/175124955.db2.gz VHTZYKWLISNYGT-ZFWWWQNUSA-N 2 2 250.386 2.222 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966033 175127344 /nfs/dbraw/zinc/12/73/44/175127344.db2.gz FTZVJIFIQSVXSN-AJNGGQMLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966033 175127345 /nfs/dbraw/zinc/12/73/45/175127345.db2.gz FTZVJIFIQSVXSN-AJNGGQMLSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966678 175128208 /nfs/dbraw/zinc/12/82/08/175128208.db2.gz YNTHSNNBFWCVER-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966678 175128209 /nfs/dbraw/zinc/12/82/09/175128209.db2.gz YNTHSNNBFWCVER-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969882 175131575 /nfs/dbraw/zinc/13/15/75/175131575.db2.gz AZTOKYNMIONGAP-QEJZJMRPSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969882 175131577 /nfs/dbraw/zinc/13/15/77/175131577.db2.gz AZTOKYNMIONGAP-QEJZJMRPSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H](C[N@H+](CCCOC)CCOC)c1ccccc1 ZINC000043970958 175131797 /nfs/dbraw/zinc/13/17/97/175131797.db2.gz UESLOVICTRTCAM-KRWDZBQOSA-N 2 2 294.439 2.322 10 0 CEAELP CC[NH2+][C@@H](C[N@@H+](CCCOC)CCOC)c1ccccc1 ZINC000043970958 175131798 /nfs/dbraw/zinc/13/17/98/175131798.db2.gz UESLOVICTRTCAM-KRWDZBQOSA-N 2 2 294.439 2.322 10 0 CEAELP CC[NH2+][C@@H](CC)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970719 175131966 /nfs/dbraw/zinc/13/19/66/175131966.db2.gz FYIPQFHUOHKVPL-ZFWWWQNUSA-N 3 2 255.450 2.037 10 0 CEAELP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557658 175202474 /nfs/dbraw/zinc/20/24/74/175202474.db2.gz QFBJZDWGGQAAKM-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1ccc(C)c(OCC[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000044557658 175202475 /nfs/dbraw/zinc/20/24/75/175202475.db2.gz QFBJZDWGGQAAKM-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986333 175284660 /nfs/dbraw/zinc/28/46/60/175284660.db2.gz NULQHDQTXCKDAA-CHWSQXEVSA-N 2 2 251.374 2.193 10 0 CEAELP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(C)no2)C1 ZINC000044986333 175284661 /nfs/dbraw/zinc/28/46/61/175284661.db2.gz NULQHDQTXCKDAA-CHWSQXEVSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)C ZINC000045065391 175299465 /nfs/dbraw/zinc/29/94/65/175299465.db2.gz OJLAPABBRLVHKT-STQMWFEESA-N 2 2 252.406 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)C ZINC000045065391 175299467 /nfs/dbraw/zinc/29/94/67/175299467.db2.gz OJLAPABBRLVHKT-STQMWFEESA-N 2 2 252.406 2.176 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000045135126 175312447 /nfs/dbraw/zinc/31/24/47/175312447.db2.gz IVBNUTGENZLYDU-LLVKDONJSA-N 2 2 272.343 2.098 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000045135126 175312448 /nfs/dbraw/zinc/31/24/48/175312448.db2.gz IVBNUTGENZLYDU-LLVKDONJSA-N 2 2 272.343 2.098 10 0 CEAELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000045135174 175313114 /nfs/dbraw/zinc/31/31/14/175313114.db2.gz GKOXRSKGYDRKDH-CQSZACIVSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000045135174 175313115 /nfs/dbraw/zinc/31/31/15/175313115.db2.gz GKOXRSKGYDRKDH-CQSZACIVSA-N 2 2 272.396 2.154 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1C ZINC000045169211 175319764 /nfs/dbraw/zinc/31/97/64/175319764.db2.gz DXWVEDGHEDWIDL-GFCCVEGCSA-N 2 2 275.400 2.457 10 0 CEAELP CC[N@H+](CC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045224176 175332110 /nfs/dbraw/zinc/33/21/10/175332110.db2.gz VJDGYSKIORPGCN-INIZCTEOSA-N 2 2 281.444 2.027 10 0 CEAELP CC[N@@H+](CC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045224176 175332111 /nfs/dbraw/zinc/33/21/11/175332111.db2.gz VJDGYSKIORPGCN-INIZCTEOSA-N 2 2 281.444 2.027 10 0 CEAELP C[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374782 175365283 /nfs/dbraw/zinc/36/52/83/175365283.db2.gz GZIDBVCYNYDFFA-HNNXBMFYSA-N 2 2 270.417 2.040 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393506 175376142 /nfs/dbraw/zinc/37/61/42/175376142.db2.gz QAWLMPWBXXDJDP-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H](CC)C1)C(=O)OC ZINC000045393506 175376144 /nfs/dbraw/zinc/37/61/44/175376144.db2.gz QAWLMPWBXXDJDP-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOCC2(C)C)C1 ZINC000071123756 176035183 /nfs/dbraw/zinc/03/51/83/176035183.db2.gz RRJYBNKHNSCKHA-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCOCC2(C)C)C1 ZINC000071123756 176035184 /nfs/dbraw/zinc/03/51/84/176035184.db2.gz RRJYBNKHNSCKHA-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1cccc(F)c1 ZINC000071191258 176069313 /nfs/dbraw/zinc/06/93/13/176069313.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1cccc(F)c1 ZINC000071191258 176069315 /nfs/dbraw/zinc/06/93/15/176069315.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC000071191258 176069316 /nfs/dbraw/zinc/06/93/16/176069316.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1cccc(F)c1 ZINC000071191258 176069317 /nfs/dbraw/zinc/06/93/17/176069317.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 3 2 293.430 2.360 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191958 176071796 /nfs/dbraw/zinc/07/17/96/176071796.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191958 176071797 /nfs/dbraw/zinc/07/17/97/176071797.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191958 176071800 /nfs/dbraw/zinc/07/18/00/176071800.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191958 176071802 /nfs/dbraw/zinc/07/18/02/176071802.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074094 /nfs/dbraw/zinc/07/40/94/176074094.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074095 /nfs/dbraw/zinc/07/40/95/176074095.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074097 /nfs/dbraw/zinc/07/40/97/176074097.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074099 /nfs/dbraw/zinc/07/40/99/176074099.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000071198078 176076599 /nfs/dbraw/zinc/07/65/99/176076599.db2.gz WXDCZKBZBJWKNW-HNNXBMFYSA-N 2 2 290.407 2.074 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000071198078 176076601 /nfs/dbraw/zinc/07/66/01/176076601.db2.gz WXDCZKBZBJWKNW-HNNXBMFYSA-N 2 2 290.407 2.074 10 0 CEAELP COCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1CC(C)C ZINC000071358782 176137187 /nfs/dbraw/zinc/13/71/87/176137187.db2.gz GMXDPVZKEZRNOT-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1CC(C)C ZINC000071358782 176137190 /nfs/dbraw/zinc/13/71/90/176137190.db2.gz GMXDPVZKEZRNOT-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCc1[nH+]ccn1-c1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390282 176148564 /nfs/dbraw/zinc/14/85/64/176148564.db2.gz KHULZGVCUOZSKN-UHFFFAOYSA-N 2 2 265.320 2.267 10 0 CEAELP C[C@H]([NH3+])c1ccc(Sc2nc(N)cc(N)[nH+]2)cc1Cl ZINC000078938766 177407604 /nfs/dbraw/zinc/40/76/04/177407604.db2.gz ZZGKCMYMJGYTGR-LURJTMIESA-N 2 2 295.799 2.465 10 0 CEAELP c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000157742543 275064282 /nfs/dbraw/zinc/06/42/82/275064282.db2.gz PZCBESFSKIQBAX-LBPRGKRZSA-N 2 2 258.325 2.004 10 0 CEAELP c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000157742543 275064284 /nfs/dbraw/zinc/06/42/84/275064284.db2.gz PZCBESFSKIQBAX-LBPRGKRZSA-N 2 2 258.325 2.004 10 0 CEAELP C[C@H](CCc1cccc(F)c1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248394495 278175976 /nfs/dbraw/zinc/17/59/76/278175976.db2.gz XVIUBGVOCPUGIO-PBHICJAKSA-N 2 2 294.414 2.409 10 0 CEAELP C[C@H](CCc1cccc(F)c1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248394495 278175978 /nfs/dbraw/zinc/17/59/78/278175978.db2.gz XVIUBGVOCPUGIO-PBHICJAKSA-N 2 2 294.414 2.409 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630418 279295286 /nfs/dbraw/zinc/29/52/86/279295286.db2.gz YRANKUUYSJNKPK-OLZOCXBDSA-N 2 2 254.418 2.406 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)C1 ZINC000246630418 279295288 /nfs/dbraw/zinc/29/52/88/279295288.db2.gz YRANKUUYSJNKPK-OLZOCXBDSA-N 2 2 254.418 2.406 10 0 CEAELP C[C@H]([NH3+])[C@@H]1CCCN(c2[nH+]c3ccccc3n2C)C1 ZINC000079048696 279407242 /nfs/dbraw/zinc/40/72/42/279407242.db2.gz RFTGBYIENARVQS-NWDGAFQWSA-N 2 2 258.369 2.137 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc2c(c1)OCCO2 ZINC000396553588 280674081 /nfs/dbraw/zinc/67/40/81/280674081.db2.gz PUICNQCOHVQZQU-SGMGOOAPSA-N 2 2 276.380 2.249 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000052507106 519815904 /nfs/dbraw/zinc/81/59/04/519815904.db2.gz FQQZSJVWFXDOIL-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000052381007 520028795 /nfs/dbraw/zinc/02/87/95/520028795.db2.gz WVQSFBCRVCCIKH-BETUJISGSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000052381007 520028805 /nfs/dbraw/zinc/02/88/05/520028805.db2.gz WVQSFBCRVCCIKH-BETUJISGSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431376 520213561 /nfs/dbraw/zinc/21/35/61/520213561.db2.gz KYWUEBCWXBWCJS-UONOGXRCSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431376 520213565 /nfs/dbraw/zinc/21/35/65/520213565.db2.gz KYWUEBCWXBWCJS-UONOGXRCSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053012708 520610439 /nfs/dbraw/zinc/61/04/39/520610439.db2.gz IYJXRQRLZMQHAP-INIZCTEOSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053012708 520610447 /nfs/dbraw/zinc/61/04/47/520610447.db2.gz IYJXRQRLZMQHAP-INIZCTEOSA-N 3 2 269.477 2.286 10 0 CEAELP CCOC(=O)[C@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)[NH2+]C ZINC000068648699 521325432 /nfs/dbraw/zinc/32/54/32/521325432.db2.gz XLWGVIQPVPVFCX-WFASDCNBSA-N 2 2 281.400 2.499 10 0 CEAELP CC(C)(C)[NH2+]Cc1cccc(C[NH+]2CCS(=O)CC2)c1 ZINC000052516183 518766875 /nfs/dbraw/zinc/76/68/75/518766875.db2.gz DRGHKVNXRNNRHW-UHFFFAOYSA-N 2 2 294.464 2.139 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049555483 519775994 /nfs/dbraw/zinc/77/59/94/519775994.db2.gz IENZHONZQZGUBZ-ZNMIVQPWSA-N 2 2 256.434 2.246 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507106 519815903 /nfs/dbraw/zinc/81/59/03/519815903.db2.gz FQQZSJVWFXDOIL-GJZGRUSLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183403 519911814 /nfs/dbraw/zinc/91/18/14/519911814.db2.gz BVYHKXOOKAUWMJ-UHFFFAOYSA-N 2 2 266.385 2.118 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)Cc2ccoc2)CCOCC1 ZINC000052183403 519911817 /nfs/dbraw/zinc/91/18/17/519911817.db2.gz BVYHKXOOKAUWMJ-UHFFFAOYSA-N 2 2 266.385 2.118 10 0 CEAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423707 519928843 /nfs/dbraw/zinc/92/88/43/519928843.db2.gz OCEARNYVHQZYEV-OAHLLOKOSA-N 2 2 291.439 2.205 10 0 CEAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422923 519969843 /nfs/dbraw/zinc/96/98/43/519969843.db2.gz CRTITOSQEWTAQS-HNNXBMFYSA-N 2 2 291.439 2.063 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540169 520013679 /nfs/dbraw/zinc/01/36/79/520013679.db2.gz GJXOIMIKOUTNGH-KBPBESRZSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1ccoc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540169 520013685 /nfs/dbraw/zinc/01/36/85/520013685.db2.gz GJXOIMIKOUTNGH-KBPBESRZSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061270924 520068471 /nfs/dbraw/zinc/06/84/71/520068471.db2.gz UNTFMOIBMVJAFY-NSHDSACASA-N 2 2 272.352 2.403 10 0 CEAELP CCC[NH2+][C@H](C[N@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000069074217 520081258 /nfs/dbraw/zinc/08/12/58/520081258.db2.gz QMYYDIAMFWJWAB-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000069074217 520081261 /nfs/dbraw/zinc/08/12/61/520081261.db2.gz QMYYDIAMFWJWAB-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062739946 520309643 /nfs/dbraw/zinc/30/96/43/520309643.db2.gz QUNJEDDUNBSZNM-RYUDHWBXSA-N 2 2 254.349 2.182 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062739946 520309646 /nfs/dbraw/zinc/30/96/46/520309646.db2.gz QUNJEDDUNBSZNM-RYUDHWBXSA-N 2 2 254.349 2.182 10 0 CEAELP CCO[C@H](C[NH3+])C[N@H+](C)Cc1ccccc1Cl ZINC000062739653 520517734 /nfs/dbraw/zinc/51/77/34/520517734.db2.gz JTPSFKYBLFADMV-GFCCVEGCSA-N 2 2 256.777 2.136 10 0 CEAELP CCO[C@H](C[NH3+])C[N@@H+](C)Cc1ccccc1Cl ZINC000062739653 520517739 /nfs/dbraw/zinc/51/77/39/520517739.db2.gz JTPSFKYBLFADMV-GFCCVEGCSA-N 2 2 256.777 2.136 10 0 CEAELP CCC[C@@H]1C[NH2+][C@H](C)CN1Cc1cn2ccccc2[nH+]1 ZINC000068697588 520844741 /nfs/dbraw/zinc/84/47/41/520844741.db2.gz VGMVVZSTSORQFG-UKRRQHHQSA-N 2 2 272.396 2.297 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049197570 521584543 /nfs/dbraw/zinc/58/45/43/521584543.db2.gz OKAUTXVAPSOQSL-HOCLYGCPSA-N 3 2 269.477 2.283 10 0 CEAELP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834316 521750415 /nfs/dbraw/zinc/75/04/15/521750415.db2.gz DFBPHXHESSXGLR-DZGCQCFKSA-N 2 2 289.423 2.104 10 0 CEAELP CCc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000163834316 521750418 /nfs/dbraw/zinc/75/04/18/521750418.db2.gz DFBPHXHESSXGLR-DZGCQCFKSA-N 2 2 289.423 2.104 10 0 CEAELP C[NH2+]C[C@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545087 522073158 /nfs/dbraw/zinc/07/31/58/522073158.db2.gz KBSQZKCXTWFGGS-JTQLQIEISA-N 2 2 271.202 2.489 10 0 CEAELP C[NH2+]C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545087 522073163 /nfs/dbraw/zinc/07/31/63/522073163.db2.gz KBSQZKCXTWFGGS-JTQLQIEISA-N 2 2 271.202 2.489 10 0 CEAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000052371183 522078535 /nfs/dbraw/zinc/07/85/35/522078535.db2.gz ACLDLWZXRMXMSK-CQSZACIVSA-N 2 2 250.411 2.386 10 0 CEAELP C[NH2+]C[C@H](c1ccccc1)[N@H+]1CCCSCC1 ZINC000052371183 522078544 /nfs/dbraw/zinc/07/85/44/522078544.db2.gz ACLDLWZXRMXMSK-CQSZACIVSA-N 2 2 250.411 2.386 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757408 522340261 /nfs/dbraw/zinc/34/02/61/522340261.db2.gz QHKJBFGIVYYVLU-IPYPFGDCSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757408 522340271 /nfs/dbraw/zinc/34/02/71/522340271.db2.gz QHKJBFGIVYYVLU-IPYPFGDCSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757668 522344640 /nfs/dbraw/zinc/34/46/40/522344640.db2.gz PSNGPODLHDLNEG-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757668 522344647 /nfs/dbraw/zinc/34/46/47/522344647.db2.gz PSNGPODLHDLNEG-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCCSC1 ZINC000061589977 523314818 /nfs/dbraw/zinc/31/48/18/523314818.db2.gz VHUDCQVKTMYVNO-AWEZNQCLSA-N 2 2 268.401 2.482 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCCSC1 ZINC000061589977 523314822 /nfs/dbraw/zinc/31/48/22/523314822.db2.gz VHUDCQVKTMYVNO-AWEZNQCLSA-N 2 2 268.401 2.482 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051210005 523462798 /nfs/dbraw/zinc/46/27/98/523462798.db2.gz YRPSEYJEWWWGQZ-VNHYZAJKSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@](C)(C[NH2+]C1CC1)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000051210005 523462805 /nfs/dbraw/zinc/46/28/05/523462805.db2.gz YRPSEYJEWWWGQZ-VNHYZAJKSA-N 2 2 254.418 2.264 10 0 CEAELP C[N@H+](Cc1ccsc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590038 523487109 /nfs/dbraw/zinc/48/71/09/523487109.db2.gz KGEXGRGVPXJNJJ-GFCCVEGCSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@@H+](Cc1ccsc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590038 523487119 /nfs/dbraw/zinc/48/71/19/523487119.db2.gz KGEXGRGVPXJNJJ-GFCCVEGCSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@H+]([C@@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015139 523624950 /nfs/dbraw/zinc/62/49/50/523624950.db2.gz WBOKBKRPCQMEHZ-INIZCTEOSA-N 3 2 261.413 2.103 10 0 CEAELP C[N@@H+]([C@@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015139 523624957 /nfs/dbraw/zinc/62/49/57/523624957.db2.gz WBOKBKRPCQMEHZ-INIZCTEOSA-N 3 2 261.413 2.103 10 0 CEAELP C[NH+](C)C1CC[NH+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052477706 524040262 /nfs/dbraw/zinc/04/02/62/524040262.db2.gz GTUDMONVJWMGQF-UHFFFAOYSA-N 3 2 287.407 2.418 10 0 CEAELP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049150023 524319084 /nfs/dbraw/zinc/31/90/84/524319084.db2.gz JAZLYKJSFOQROX-SJLPKXTDSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@H](C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000049150023 524319086 /nfs/dbraw/zinc/31/90/86/524319086.db2.gz JAZLYKJSFOQROX-SJLPKXTDSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000049150023 524319089 /nfs/dbraw/zinc/31/90/89/524319089.db2.gz JAZLYKJSFOQROX-SJLPKXTDSA-N 2 2 287.451 2.335 10 0 CEAELP C[C@H]1C[NH2+]C[C@H](C)N1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000069134629 524699524 /nfs/dbraw/zinc/69/95/24/524699524.db2.gz TVOAYXAMYMKWSD-KBPBESRZSA-N 2 2 270.380 2.055 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc2ncccc2c1 ZINC000062802838 525002522 /nfs/dbraw/zinc/00/25/22/525002522.db2.gz OXXYWOYZYYWCPF-GFCCVEGCSA-N 2 2 266.348 2.369 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)nc1 ZINC000181388761 525497048 /nfs/dbraw/zinc/49/70/48/525497048.db2.gz BSHJGCCUDDTGDN-OCCSQVGLSA-N 2 2 297.830 2.232 10 0 CEAELP Cc1oc(C[NH2+]C(C)(C)C)cc1C[NH+]1CCN(C)CC1 ZINC000052379573 526775338 /nfs/dbraw/zinc/77/53/38/526775338.db2.gz DZLGSJQTTIOXEJ-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP Cc1[nH]c(C[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c[nH+]1 ZINC000054822222 526890676 /nfs/dbraw/zinc/89/06/76/526890676.db2.gz LMWXXOSJMVOOBC-VIFPVBQESA-N 2 2 273.340 2.060 10 0 CEAELP Cc1ncc(C[NH2+]C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538893 527272542 /nfs/dbraw/zinc/27/25/42/527272542.db2.gz YWAGBLRRUAMIKH-SCRDCRAPSA-N 2 2 265.426 2.462 10 0 CEAELP [NH3+][C@H]1CCc2c1cccc2OCCCn1cc[nH+]c1 ZINC000062798242 527416771 /nfs/dbraw/zinc/41/67/71/527416771.db2.gz PIAGGXLHBIFPFR-AWEZNQCLSA-N 2 2 257.337 2.298 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cccnc1=S ZINC000176083742 624008778 /nfs/dbraw/zinc/00/87/78/624008778.db2.gz IAAFOXYSNLWPRC-CYBMUJFWSA-N 2 2 289.408 2.240 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cccnc1=S ZINC000176083742 624008786 /nfs/dbraw/zinc/00/87/86/624008786.db2.gz IAAFOXYSNLWPRC-CYBMUJFWSA-N 2 2 289.408 2.240 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670980 639872175 /nfs/dbraw/zinc/87/21/75/639872175.db2.gz CYIZLCJMNPGAAD-HNNXBMFYSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670980 639872181 /nfs/dbraw/zinc/87/21/81/639872181.db2.gz CYIZLCJMNPGAAD-HNNXBMFYSA-N 2 2 275.396 2.007 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000095936768 185034192 /nfs/dbraw/zinc/03/41/92/185034192.db2.gz XMVWLYSTZABKHZ-INIZCTEOSA-N 2 2 260.381 2.413 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000095936768 185034193 /nfs/dbraw/zinc/03/41/93/185034193.db2.gz XMVWLYSTZABKHZ-INIZCTEOSA-N 2 2 260.381 2.413 10 0 CEAELP CC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259872 539222343 /nfs/dbraw/zinc/22/23/43/539222343.db2.gz XMTDGABVECRJGV-HOCLYGCPSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259872 539222346 /nfs/dbraw/zinc/22/23/46/539222346.db2.gz XMTDGABVECRJGV-HOCLYGCPSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305259872 539222348 /nfs/dbraw/zinc/22/23/48/539222348.db2.gz XMTDGABVECRJGV-HOCLYGCPSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305259872 539222349 /nfs/dbraw/zinc/22/23/49/539222349.db2.gz XMTDGABVECRJGV-HOCLYGCPSA-N 2 2 264.413 2.210 10 0 CEAELP COC[C@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000131700942 539263376 /nfs/dbraw/zinc/26/33/76/539263376.db2.gz QTSHDUAPGOWDKL-UKRRQHHQSA-N 2 2 250.386 2.161 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438695 344374419 /nfs/dbraw/zinc/37/44/19/344374419.db2.gz KZARUQDRATZOQS-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438695 344374420 /nfs/dbraw/zinc/37/44/20/344374420.db2.gz KZARUQDRATZOQS-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP C[C@@]1([NH2+]Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000230745059 344573227 /nfs/dbraw/zinc/57/32/27/344573227.db2.gz UYJTZGXUOYWFFD-SNVBAGLBSA-N 2 2 275.215 2.352 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H](Cc1c(C)nn(C)c1C)[NH2+]C ZINC000097311147 185583565 /nfs/dbraw/zinc/58/35/65/185583565.db2.gz CAKYSDRFHRSBJG-CQSZACIVSA-N 2 2 289.427 2.017 10 0 CEAELP CC[N@H+](CCC[C@@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300505 179010304 /nfs/dbraw/zinc/01/03/04/179010304.db2.gz NABKAVICNFMBMK-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300505 179010307 /nfs/dbraw/zinc/01/03/07/179010307.db2.gz NABKAVICNFMBMK-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085468206 179073467 /nfs/dbraw/zinc/07/34/67/179073467.db2.gz QCWPLWVBUIIFPU-ZIAGYGMSSA-N 2 2 254.418 2.264 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C(C)C)C[N@H+]1[C@@H]1CCOC1 ZINC000085468206 179073469 /nfs/dbraw/zinc/07/34/69/179073469.db2.gz QCWPLWVBUIIFPU-ZIAGYGMSSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CCCOC ZINC000085498918 179083237 /nfs/dbraw/zinc/08/32/37/179083237.db2.gz ZQJUYADBDOUSPX-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CCCOC ZINC000085498918 179083239 /nfs/dbraw/zinc/08/32/39/179083239.db2.gz ZQJUYADBDOUSPX-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498899 179083534 /nfs/dbraw/zinc/08/35/34/179083534.db2.gz HFMNYDHMAZGXIU-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498899 179083537 /nfs/dbraw/zinc/08/35/37/179083537.db2.gz HFMNYDHMAZGXIU-KBPBESRZSA-N 2 2 252.402 2.020 10 0 CEAELP CCC[C@@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611943 179103203 /nfs/dbraw/zinc/10/32/03/179103203.db2.gz LHFPLQAJOLBNOH-LLVKDONJSA-N 2 2 268.323 2.029 10 0 CEAELP CCC[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611943 179103204 /nfs/dbraw/zinc/10/32/04/179103204.db2.gz LHFPLQAJOLBNOH-LLVKDONJSA-N 2 2 268.323 2.029 10 0 CEAELP CCC1(CC)C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617384 179104785 /nfs/dbraw/zinc/10/47/85/179104785.db2.gz DJFXAZXZCSPVNZ-UHFFFAOYSA-N 2 2 282.350 2.419 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617384 179104788 /nfs/dbraw/zinc/10/47/88/179104788.db2.gz DJFXAZXZCSPVNZ-UHFFFAOYSA-N 2 2 282.350 2.419 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000086120466 179234722 /nfs/dbraw/zinc/23/47/22/179234722.db2.gz CIDJQBRSFRISHK-SWLSCSKDSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[N@@H+](CCOC)[C@@H](C)C1CC1 ZINC000086120466 179234724 /nfs/dbraw/zinc/23/47/24/179234724.db2.gz CIDJQBRSFRISHK-SWLSCSKDSA-N 2 2 254.418 2.251 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[N@@H+]1CCOc2ccccc2C1 ZINC000086120771 179234867 /nfs/dbraw/zinc/23/48/67/179234867.db2.gz FWAPZEUIDVFSJC-INIZCTEOSA-N 2 2 260.381 2.399 10 0 CEAELP CC[C@](C[NH3+])(C1CC1)[N@H+]1CCOc2ccccc2C1 ZINC000086120771 179234869 /nfs/dbraw/zinc/23/48/69/179234869.db2.gz FWAPZEUIDVFSJC-INIZCTEOSA-N 2 2 260.381 2.399 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCOC1 ZINC000086260135 179259042 /nfs/dbraw/zinc/25/90/42/179259042.db2.gz YNFMMIBQVMFDFO-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCOC1 ZINC000086260135 179259043 /nfs/dbraw/zinc/25/90/43/179259043.db2.gz YNFMMIBQVMFDFO-LSDHHAIUSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264856 179261124 /nfs/dbraw/zinc/26/11/24/179261124.db2.gz BBSYSHODQRVALB-YOEHRIQHSA-N 2 2 284.407 2.129 10 0 CEAELP CCC[C@@H](COC)[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086267577 179262043 /nfs/dbraw/zinc/26/20/43/179262043.db2.gz QOJZNTIOEKRROK-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@@H](COC)[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C ZINC000086267577 179262046 /nfs/dbraw/zinc/26/20/46/179262046.db2.gz QOJZNTIOEKRROK-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP COc1ccc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086269456 179262468 /nfs/dbraw/zinc/26/24/68/179262468.db2.gz QNFTXHZFASZAIN-KRWDZBQOSA-N 2 2 274.408 2.312 10 0 CEAELP COc1ccc(CC[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086269456 179262471 /nfs/dbraw/zinc/26/24/71/179262471.db2.gz QNFTXHZFASZAIN-KRWDZBQOSA-N 2 2 274.408 2.312 10 0 CEAELP C[N@@H+]1CCC[C@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266020 /nfs/dbraw/zinc/26/60/20/179266020.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP C[N@H+]1CCC[C@H](C[NH+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266021 /nfs/dbraw/zinc/26/60/21/179266021.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP C[NH+]1CCC[C@H](C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266023 /nfs/dbraw/zinc/26/60/23/179266023.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP C[NH+]1CCC[C@H](C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266025 /nfs/dbraw/zinc/26/60/25/179266025.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 3 2 279.472 2.326 10 0 CEAELP CSCC[C@H](C[NH3+])[N@H+](C)CCc1cccs1 ZINC000086440829 179292713 /nfs/dbraw/zinc/29/27/13/179292713.db2.gz MPUGHQIOWFLYJJ-LLVKDONJSA-N 2 2 258.456 2.303 10 0 CEAELP CSCC[C@H](C[NH3+])[N@@H+](C)CCc1cccs1 ZINC000086440829 179292716 /nfs/dbraw/zinc/29/27/16/179292716.db2.gz MPUGHQIOWFLYJJ-LLVKDONJSA-N 2 2 258.456 2.303 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895063 365939490 /nfs/dbraw/zinc/93/94/90/365939490.db2.gz MKAJNEGXFQPIKD-DZGCQCFKSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895063 365939495 /nfs/dbraw/zinc/93/94/95/365939495.db2.gz MKAJNEGXFQPIKD-DZGCQCFKSA-N 2 2 262.397 2.310 10 0 CEAELP C[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833639 179349724 /nfs/dbraw/zinc/34/97/24/179349724.db2.gz HUEYVQJNXFCODA-CYBMUJFWSA-N 2 2 253.415 2.290 10 0 CEAELP C[NH2+][C@]1(c2nc(C)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833639 179349725 /nfs/dbraw/zinc/34/97/25/179349725.db2.gz HUEYVQJNXFCODA-CYBMUJFWSA-N 2 2 253.415 2.290 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835835 179349273 /nfs/dbraw/zinc/34/92/73/179349273.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835835 179349275 /nfs/dbraw/zinc/34/92/75/179349275.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000086835835 179349277 /nfs/dbraw/zinc/34/92/77/179349277.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH+]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000086835835 179349280 /nfs/dbraw/zinc/34/92/80/179349280.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817435 179345206 /nfs/dbraw/zinc/34/52/06/179345206.db2.gz AAABTIGNWLUIFL-JKSUJKDBSA-N 3 2 269.477 2.427 10 0 CEAELP CCC(CC)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817435 179345208 /nfs/dbraw/zinc/34/52/08/179345208.db2.gz AAABTIGNWLUIFL-JKSUJKDBSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C)no2)CC1 ZINC000086843579 179353004 /nfs/dbraw/zinc/35/30/04/179353004.db2.gz SPANCBQEHHSREC-ZDUSSCGKSA-N 2 2 251.374 2.337 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cc(C)no2)CC1 ZINC000086843579 179353005 /nfs/dbraw/zinc/35/30/05/179353005.db2.gz SPANCBQEHHSREC-ZDUSSCGKSA-N 2 2 251.374 2.337 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842808 179353267 /nfs/dbraw/zinc/35/32/67/179353267.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842808 179353269 /nfs/dbraw/zinc/35/32/69/179353269.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 3 2 267.461 2.323 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842890 179353563 /nfs/dbraw/zinc/35/35/63/179353563.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842890 179353564 /nfs/dbraw/zinc/35/35/64/179353564.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)[N@@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851773 179359298 /nfs/dbraw/zinc/35/92/98/179359298.db2.gz FCIKISYOBYYGQY-OAHLLOKOSA-N 2 2 280.416 2.415 10 0 CEAELP CC(C)[N@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851773 179359299 /nfs/dbraw/zinc/35/92/99/179359299.db2.gz FCIKISYOBYYGQY-OAHLLOKOSA-N 2 2 280.416 2.415 10 0 CEAELP [NH3+]C[C@]1([N@H+](Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875433 179365466 /nfs/dbraw/zinc/36/54/66/179365466.db2.gz MRCGBFAIAOBNPM-HNNXBMFYSA-N 2 2 264.369 2.142 10 0 CEAELP [NH3+]C[C@]1([N@@H+](Cc2ccco2)C2CC2)CCCOCC1 ZINC000086875433 179365468 /nfs/dbraw/zinc/36/54/68/179365468.db2.gz MRCGBFAIAOBNPM-HNNXBMFYSA-N 2 2 264.369 2.142 10 0 CEAELP CCC[C@@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947845 179368680 /nfs/dbraw/zinc/36/86/80/179368680.db2.gz NUVPDTHTVAGPPP-CABCVRRESA-N 2 2 254.418 2.397 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994834 179375897 /nfs/dbraw/zinc/37/58/97/179375897.db2.gz KIHWAACTKLXCQR-IUODEOHRSA-N 2 2 266.360 2.437 10 0 CEAELP CC[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994834 179375899 /nfs/dbraw/zinc/37/58/99/179375899.db2.gz KIHWAACTKLXCQR-IUODEOHRSA-N 2 2 266.360 2.437 10 0 CEAELP CC(C)[N@@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088653 179393775 /nfs/dbraw/zinc/39/37/75/179393775.db2.gz LYWVURFZCGWTPZ-AWEZNQCLSA-N 2 2 254.418 2.144 10 0 CEAELP CC(C)[N@H+]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088653 179393777 /nfs/dbraw/zinc/39/37/77/179393777.db2.gz LYWVURFZCGWTPZ-AWEZNQCLSA-N 2 2 254.418 2.144 10 0 CEAELP CC(=O)Nc1cccc([C@@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616616104 348535170 /nfs/dbraw/zinc/53/51/70/348535170.db2.gz HDQAZWYTGXTMAY-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1cccc([C@@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616616104 348535173 /nfs/dbraw/zinc/53/51/73/348535173.db2.gz HDQAZWYTGXTMAY-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616691087 348562302 /nfs/dbraw/zinc/56/23/02/348562302.db2.gz GNGOQVIEMKVDGU-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1ccc(CO)cc1 ZINC000616691087 348562305 /nfs/dbraw/zinc/56/23/05/348562305.db2.gz GNGOQVIEMKVDGU-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC000400509572 233179804 /nfs/dbraw/zinc/17/98/04/233179804.db2.gz FEKAPIUSMXMSHP-HOCLYGCPSA-N 2 2 284.407 2.019 10 0 CEAELP COCc1ccc(C[NH2+]C[C@@H](C)[NH+]2CCCC2)cc1 ZINC000090714340 180028940 /nfs/dbraw/zinc/02/89/40/180028940.db2.gz GPCYTDNYHVVUBI-CQSZACIVSA-N 2 2 262.397 2.407 10 0 CEAELP CC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876256 180050997 /nfs/dbraw/zinc/05/09/97/180050997.db2.gz NRHPJWGEWRLXCA-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876256 180050998 /nfs/dbraw/zinc/05/09/98/180050998.db2.gz NRHPJWGEWRLXCA-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C[NH+](C)C)C(C)C)O2 ZINC000090897651 180056896 /nfs/dbraw/zinc/05/68/96/180056896.db2.gz NCSUGWIGIJOFGI-JKSUJKDBSA-N 2 2 276.424 2.474 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898941 180057786 /nfs/dbraw/zinc/05/77/86/180057786.db2.gz MMQWWVFUZWHMFQ-HNNXBMFYSA-N 2 2 262.397 2.359 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898941 180057789 /nfs/dbraw/zinc/05/77/89/180057789.db2.gz MMQWWVFUZWHMFQ-HNNXBMFYSA-N 2 2 262.397 2.359 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906164 180061410 /nfs/dbraw/zinc/06/14/10/180061410.db2.gz NNIAEEIEMOXUHI-DFBGVHRSSA-N 2 2 276.380 2.078 10 0 CEAELP COc1ccc([C@@H](C)[NH3+])cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906164 180061411 /nfs/dbraw/zinc/06/14/11/180061411.db2.gz NNIAEEIEMOXUHI-DFBGVHRSSA-N 2 2 276.380 2.078 10 0 CEAELP CC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000090960070 180075704 /nfs/dbraw/zinc/07/57/04/180075704.db2.gz ADFVWRGLMOKUMW-UHFFFAOYSA-N 2 2 293.436 2.423 10 0 CEAELP CC[NH2+]Cc1cccn1Cc1cn2ccccc2[nH+]1 ZINC000090995900 180082646 /nfs/dbraw/zinc/08/26/46/180082646.db2.gz UDYWDLUBZIHZDO-UHFFFAOYSA-N 2 2 254.337 2.294 10 0 CEAELP CCn1cc[nH+]c1Cn1cc(C[NH2+]C)c2cccnc21 ZINC000091019613 180088155 /nfs/dbraw/zinc/08/81/55/180088155.db2.gz WMDNFTPEEAFSIE-UHFFFAOYSA-N 2 2 269.352 2.020 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccs1 ZINC000091322802 180134669 /nfs/dbraw/zinc/13/46/69/180134669.db2.gz XHIANZNKDJGFNR-STQMWFEESA-N 2 2 297.468 2.327 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccs1 ZINC000091322802 180134670 /nfs/dbraw/zinc/13/46/70/180134670.db2.gz XHIANZNKDJGFNR-STQMWFEESA-N 2 2 297.468 2.327 10 0 CEAELP COC1CC[NH+](C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362244 180141928 /nfs/dbraw/zinc/14/19/28/180141928.db2.gz XZQHXTRXFPFMFH-YCPHGPKFSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@H]1CN(Cc2c[nH+]cn2C2CC2)[C@@H](CC)C[NH2+]1 ZINC000091277090 180120189 /nfs/dbraw/zinc/12/01/89/180120189.db2.gz MJOYJRSLCMEPTG-STQMWFEESA-N 2 2 262.401 2.180 10 0 CEAELP c1coc(C[N@@H+](CC[C@@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292167 180123881 /nfs/dbraw/zinc/12/38/81/180123881.db2.gz HFHXZFBJYAEKRX-GFCCVEGCSA-N 2 2 266.410 2.339 10 0 CEAELP c1coc(C[N@H+](CC[C@@H]2CSCC[NH2+]2)C2CC2)c1 ZINC000091292167 180123883 /nfs/dbraw/zinc/12/38/83/180123883.db2.gz HFHXZFBJYAEKRX-GFCCVEGCSA-N 2 2 266.410 2.339 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccs1)[N@H+](C)CC1CC(O)C1 ZINC000091451649 180158796 /nfs/dbraw/zinc/15/87/96/180158796.db2.gz NCBDVLFNZWZHNK-BUCSNLDVSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccs1)[N@@H+](C)CC1CC(O)C1 ZINC000091451649 180158797 /nfs/dbraw/zinc/15/87/97/180158797.db2.gz NCBDVLFNZWZHNK-BUCSNLDVSA-N 2 2 268.426 2.229 10 0 CEAELP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091462849 180162425 /nfs/dbraw/zinc/16/24/25/180162425.db2.gz ZVWZWXOXNAWALJ-WTIISPKJSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccsc1[C@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091462849 180162427 /nfs/dbraw/zinc/16/24/27/180162427.db2.gz ZVWZWXOXNAWALJ-WTIISPKJSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464194 180162935 /nfs/dbraw/zinc/16/29/35/180162935.db2.gz HMVHNTAXYSBWTJ-FKFRUQKQSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091464194 180162936 /nfs/dbraw/zinc/16/29/36/180162936.db2.gz HMVHNTAXYSBWTJ-FKFRUQKQSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)c1 ZINC000091464232 180163131 /nfs/dbraw/zinc/16/31/31/180163131.db2.gz AFJQEJWGUNJFOZ-ADNDVJRGSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)c1 ZINC000091464232 180163134 /nfs/dbraw/zinc/16/31/34/180163134.db2.gz AFJQEJWGUNJFOZ-ADNDVJRGSA-N 2 2 262.397 2.086 10 0 CEAELP CC[NH+]1CCC([N@H+](C)CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091403876 180146955 /nfs/dbraw/zinc/14/69/55/180146955.db2.gz YTXKMMRMQSCYGL-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091403876 180146958 /nfs/dbraw/zinc/14/69/58/180146958.db2.gz YTXKMMRMQSCYGL-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091565233 180193380 /nfs/dbraw/zinc/19/33/80/180193380.db2.gz OHXCRNRDFANMAW-MRXNPFEDSA-N 3 2 290.455 2.449 10 0 CEAELP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@@](C)(CC)[NH+](C)C ZINC000091571796 180196418 /nfs/dbraw/zinc/19/64/18/180196418.db2.gz HXEBXYUBJYJXQB-JKSUJKDBSA-N 3 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1cc[nH+]c(N)c1)NC ZINC000091599128 180202733 /nfs/dbraw/zinc/20/27/33/180202733.db2.gz ATAHKMMZECLDBV-HOCLYGCPSA-N 2 2 278.444 2.305 10 0 CEAELP CCC[NH2+][C@H](Cc1ncnn1C)[C@](C)(CC)[NH+](CC)CC ZINC000091601508 180203379 /nfs/dbraw/zinc/20/33/79/180203379.db2.gz UIWMSHMJPHLYMY-ZBFHGGJFSA-N 2 2 295.475 2.236 10 0 CEAELP CC[C@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606170 180204685 /nfs/dbraw/zinc/20/46/85/180204685.db2.gz QTJUORBCXIPAEL-JKSUJKDBSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@](C)([C@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCC1 ZINC000091606170 180204688 /nfs/dbraw/zinc/20/46/88/180204688.db2.gz QTJUORBCXIPAEL-JKSUJKDBSA-N 2 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@H](Cc1ccn(C(C)C)n1)C(C)(C)[NH+](C)C ZINC000091529187 180180369 /nfs/dbraw/zinc/18/03/69/180180369.db2.gz VCJZNXGKVSBUCX-CQSZACIVSA-N 2 2 266.433 2.325 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@H](O)C1([NH+]2CCCC2)CCCC1 ZINC000091640162 180213264 /nfs/dbraw/zinc/21/32/64/180213264.db2.gz JOICKBXKISLJPK-AWEZNQCLSA-N 2 2 275.396 2.414 10 0 CEAELP CC[C@@H](C)C[C@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642842 180213760 /nfs/dbraw/zinc/21/37/60/180213760.db2.gz SLBOAXNBOXAJSS-KGLIPLIRSA-N 2 2 254.418 2.395 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000091661269 180219350 /nfs/dbraw/zinc/21/93/50/180219350.db2.gz ZBNVYSSDIOOSHK-ZDUSSCGKSA-N 2 2 256.353 2.025 10 0 CEAELP CC[NH2+][C@H]1CCCc2sc([C@H]3C[N@H+](C)CCO3)nc21 ZINC000091722553 180239776 /nfs/dbraw/zinc/23/97/76/180239776.db2.gz WQDKGVWAOGCJIM-WDEREUQCSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@H]1CCCc2sc([C@H]3C[N@@H+](C)CCO3)nc21 ZINC000091722553 180239780 /nfs/dbraw/zinc/23/97/80/180239780.db2.gz WQDKGVWAOGCJIM-WDEREUQCSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH+](CC)CC[C@H]([NH3+])c1cc(Cl)cnc1N ZINC000091715728 180232084 /nfs/dbraw/zinc/23/20/84/180232084.db2.gz RIDJPQSOSXXRHX-NSHDSACASA-N 2 2 256.781 2.049 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721831 180240154 /nfs/dbraw/zinc/24/01/54/180240154.db2.gz PMVKATOJQIWMPO-DAXOMENPSA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721831 180240155 /nfs/dbraw/zinc/24/01/55/180240155.db2.gz PMVKATOJQIWMPO-DAXOMENPSA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1cccc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721817 180240715 /nfs/dbraw/zinc/24/07/15/180240715.db2.gz PSMAXVSIPCBOCD-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1cccc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721817 180240716 /nfs/dbraw/zinc/24/07/16/180240716.db2.gz PSMAXVSIPCBOCD-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@H+](C)CCO3)sc21 ZINC000091722466 180240778 /nfs/dbraw/zinc/24/07/78/180240778.db2.gz SXOIIJBXNRBQRX-PWSUYJOCSA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@@H+](C)CCO3)sc21 ZINC000091722466 180240781 /nfs/dbraw/zinc/24/07/81/180240781.db2.gz SXOIIJBXNRBQRX-PWSUYJOCSA-N 2 2 281.425 2.133 10 0 CEAELP CCCn1c[nH+]cc1[C@H](O)C1(C[NH3+])Cc2ccccc2C1 ZINC000091926432 180287749 /nfs/dbraw/zinc/28/77/49/180287749.db2.gz BNGSDNAKHDBGTO-INIZCTEOSA-N 2 2 285.391 2.070 10 0 CEAELP CC(C)C1CCC(C[NH3+])([C@@H](O)c2c[nH+]cn2C)CC1 ZINC000091926045 180287763 /nfs/dbraw/zinc/28/77/63/180287763.db2.gz MNILFBYLPAYSSU-BLZCZZARSA-N 2 2 265.401 2.245 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000091926162 180287787 /nfs/dbraw/zinc/28/77/87/180287787.db2.gz POMMJZBAZYRXIS-SJORKVTESA-N 2 2 285.391 2.169 10 0 CEAELP C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054406 180313976 /nfs/dbraw/zinc/31/39/76/180313976.db2.gz IUROUQMIUBUNEH-CMPLNLGQSA-N 2 2 284.787 2.069 10 0 CEAELP C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054406 180313978 /nfs/dbraw/zinc/31/39/78/180313978.db2.gz IUROUQMIUBUNEH-CMPLNLGQSA-N 2 2 284.787 2.069 10 0 CEAELP C[N@@H+]1CCO[C@@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054304 180314407 /nfs/dbraw/zinc/31/44/07/180314407.db2.gz BKRYLVVBFZXANP-CQSZACIVSA-N 2 2 286.375 2.008 10 0 CEAELP C[N@H+]1CCO[C@@H](COc2ccc3ccccc3c2C[NH3+])C1 ZINC000092054304 180314408 /nfs/dbraw/zinc/31/44/08/180314408.db2.gz BKRYLVVBFZXANP-CQSZACIVSA-N 2 2 286.375 2.008 10 0 CEAELP C[C@H](C[NH2+]C[C@H]1Cc2ccccc2S1)[NH+](C)C ZINC000092243734 180351776 /nfs/dbraw/zinc/35/17/76/180351776.db2.gz ZWILWMJWBWBTEY-DGCLKSJQSA-N 2 2 250.411 2.243 10 0 CEAELP CC[NH2+]CC[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262996 180355116 /nfs/dbraw/zinc/35/51/16/180355116.db2.gz ZGQGBFFYFTYYJI-ZDUSSCGKSA-N 2 2 250.411 2.245 10 0 CEAELP CC[NH2+]CC[N@@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262996 180355120 /nfs/dbraw/zinc/35/51/20/180355120.db2.gz ZGQGBFFYFTYYJI-ZDUSSCGKSA-N 2 2 250.411 2.245 10 0 CEAELP [NH3+]CCc1[nH+]ccn1C[C@H]1Cc2ccccc2S1 ZINC000092270398 180355830 /nfs/dbraw/zinc/35/58/30/180355830.db2.gz GXBMCNQSYZVFOA-GFCCVEGCSA-N 2 2 259.378 2.101 10 0 CEAELP c1ccc2c(c1)OC[C@H]2C[NH2+]CC[NH+]1CCCCC1 ZINC000092300366 180358534 /nfs/dbraw/zinc/35/85/34/180358534.db2.gz RXXZZROOFLOVKC-CQSZACIVSA-N 2 2 260.381 2.238 10 0 CEAELP Cc1cc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc[nH+]1 ZINC000092349918 180368285 /nfs/dbraw/zinc/36/82/85/180368285.db2.gz ZOBCXVJWNHLHQI-OAHLLOKOSA-N 2 2 255.321 2.203 10 0 CEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366936 180369113 /nfs/dbraw/zinc/36/91/13/180369113.db2.gz HNJKJALUSHQIFL-KGYLQXTDSA-N 2 2 265.788 2.165 10 0 CEAELP CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366936 180369114 /nfs/dbraw/zinc/36/91/14/180369114.db2.gz HNJKJALUSHQIFL-KGYLQXTDSA-N 2 2 265.788 2.165 10 0 CEAELP C[N@@H+](Cc1cccc(Cl)n1)C[C@H]1CC[NH+](C)C1 ZINC000092366534 180369152 /nfs/dbraw/zinc/36/91/52/180369152.db2.gz KNINNAIEHLICLZ-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1cccc(Cl)n1)C[C@H]1CC[NH+](C)C1 ZINC000092366534 180369154 /nfs/dbraw/zinc/36/91/54/180369154.db2.gz KNINNAIEHLICLZ-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cccc(Cl)n1)C[C@H]1CC[N@H+](C)C1 ZINC000092366534 180369155 /nfs/dbraw/zinc/36/91/55/180369155.db2.gz KNINNAIEHLICLZ-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1cccc(Cl)n1)C[C@H]1CC[N@@H+](C)C1 ZINC000092366534 180369156 /nfs/dbraw/zinc/36/91/56/180369156.db2.gz KNINNAIEHLICLZ-NSHDSACASA-N 2 2 253.777 2.119 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366940 180369241 /nfs/dbraw/zinc/36/92/41/180369241.db2.gz BVPGTUSOHTZSSY-ZYHUDNBSSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366940 180369242 /nfs/dbraw/zinc/36/92/42/180369242.db2.gz BVPGTUSOHTZSSY-ZYHUDNBSSA-N 2 2 265.788 2.165 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366826 180369445 /nfs/dbraw/zinc/36/94/45/180369445.db2.gz DXIYLLFUQMTMOP-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366826 180369447 /nfs/dbraw/zinc/36/94/47/180369447.db2.gz DXIYLLFUQMTMOP-GHMZBOCLSA-N 2 2 253.777 2.294 10 0 CEAELP Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431276 180384389 /nfs/dbraw/zinc/38/43/89/180384389.db2.gz WKRQADONBMQVJY-HOTGVXAUSA-N 2 2 259.397 2.497 10 0 CEAELP Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431276 180384390 /nfs/dbraw/zinc/38/43/90/180384390.db2.gz WKRQADONBMQVJY-HOTGVXAUSA-N 2 2 259.397 2.497 10 0 CEAELP C[C@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCCO4)[nH+]c21 ZINC000107827589 186194416 /nfs/dbraw/zinc/19/44/16/186194416.db2.gz BJJNQEBMQHUQKW-JQWIXIFHSA-N 2 2 285.347 2.156 10 0 CEAELP COc1cccc(-c2cn3c([nH+]2)[C@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827669 186194663 /nfs/dbraw/zinc/19/46/63/186194663.db2.gz QAPNXILXFLRADG-PWSUYJOCSA-N 2 2 257.337 2.393 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@H+](C)CC1CCCC1 ZINC000110832407 186328201 /nfs/dbraw/zinc/32/82/01/186328201.db2.gz BATBPFXVHRWESF-LSDHHAIUSA-N 2 2 264.417 2.321 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[N@@H+](C)CC1CCCC1 ZINC000110832407 186328202 /nfs/dbraw/zinc/32/82/02/186328202.db2.gz BATBPFXVHRWESF-LSDHHAIUSA-N 2 2 264.417 2.321 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000110939084 186334559 /nfs/dbraw/zinc/33/45/59/186334559.db2.gz LRWZZXJTZGCEPU-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000110939084 186334561 /nfs/dbraw/zinc/33/45/61/186334561.db2.gz LRWZZXJTZGCEPU-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000110935979 186335113 /nfs/dbraw/zinc/33/51/13/186335113.db2.gz TZYHQJKGGCWFEG-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CCC[NH2+]C1 ZINC000110935979 186335115 /nfs/dbraw/zinc/33/51/15/186335115.db2.gz TZYHQJKGGCWFEG-HNNXBMFYSA-N 2 2 290.407 2.422 10 0 CEAELP CCC[N@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110945761 186335999 /nfs/dbraw/zinc/33/59/99/186335999.db2.gz VVVNDRQBSGCUEN-MRXNPFEDSA-N 2 2 290.407 2.437 10 0 CEAELP CCC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110945761 186336001 /nfs/dbraw/zinc/33/60/01/186336001.db2.gz VVVNDRQBSGCUEN-MRXNPFEDSA-N 2 2 290.407 2.437 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000111043499 186347555 /nfs/dbraw/zinc/34/75/55/186347555.db2.gz BPCVWRZZNHHNMC-CQSZACIVSA-N 2 2 269.348 2.146 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156090 186363156 /nfs/dbraw/zinc/36/31/56/186363156.db2.gz HVVDYEBNCPQJBD-RISCZKNCSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccs1)[N@@H+](C)CC1CCOCC1 ZINC000111156090 186363157 /nfs/dbraw/zinc/36/31/57/186363157.db2.gz HVVDYEBNCPQJBD-RISCZKNCSA-N 2 2 268.426 2.495 10 0 CEAELP CC[C@@H]1CCC(=O)[C@H](C[N@H+](C)CCC[NH+](C)C)C1 ZINC000111146564 186359654 /nfs/dbraw/zinc/35/96/54/186359654.db2.gz VUCKBUPKDDXVLT-KGLIPLIRSA-N 2 2 254.418 2.265 10 0 CEAELP CC[C@@H]1CCC(=O)[C@H](C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000111146564 186359655 /nfs/dbraw/zinc/35/96/55/186359655.db2.gz VUCKBUPKDDXVLT-KGLIPLIRSA-N 2 2 254.418 2.265 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@@H]12 ZINC000629520421 351385944 /nfs/dbraw/zinc/38/59/44/351385944.db2.gz VZQQSDBZQKEJTF-IRUJWGPZSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccncc3Br)C[C@@H]12 ZINC000629520421 351385948 /nfs/dbraw/zinc/38/59/48/351385948.db2.gz VZQQSDBZQKEJTF-IRUJWGPZSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccncc3Br)C[C@H]12 ZINC000629520422 351385965 /nfs/dbraw/zinc/38/59/65/351385965.db2.gz VZQQSDBZQKEJTF-SUZMYJTESA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccncc3Br)C[C@H]12 ZINC000629520422 351385969 /nfs/dbraw/zinc/38/59/69/351385969.db2.gz VZQQSDBZQKEJTF-SUZMYJTESA-N 2 2 296.212 2.013 10 0 CEAELP CO[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630359573 351711076 /nfs/dbraw/zinc/71/10/76/351711076.db2.gz GLOKWTGNDGRQOQ-LSDHHAIUSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)[C@@](C)(C[NH3+])C1 ZINC000630359573 351711081 /nfs/dbraw/zinc/71/10/81/351711081.db2.gz GLOKWTGNDGRQOQ-LSDHHAIUSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@H+](Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361125 351712240 /nfs/dbraw/zinc/71/22/40/351712240.db2.gz LUJIYQPEPFHJNW-UKRRQHHQSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2ccc(SC)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361125 351712243 /nfs/dbraw/zinc/71/22/43/351712243.db2.gz LUJIYQPEPFHJNW-UKRRQHHQSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@@H]1C[N@H+](CCSc2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630363661 351713494 /nfs/dbraw/zinc/71/34/94/351713494.db2.gz CHVSIZRPLUZFIO-DZGCQCFKSA-N 2 2 298.427 2.356 10 0 CEAELP CO[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)[C@@](C)(C[NH3+])C1 ZINC000630363661 351713496 /nfs/dbraw/zinc/71/34/96/351713496.db2.gz CHVSIZRPLUZFIO-DZGCQCFKSA-N 2 2 298.427 2.356 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccon3)C2)[nH+]1 ZINC000157744116 188336997 /nfs/dbraw/zinc/33/69/97/188336997.db2.gz NVQBWSSBYYBXAB-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccon3)C2)[nH+]1 ZINC000157744116 188336998 /nfs/dbraw/zinc/33/69/98/188336998.db2.gz NVQBWSSBYYBXAB-ZDUSSCGKSA-N 2 2 272.352 2.312 10 0 CEAELP COc1c(C)cnc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000231669122 540179950 /nfs/dbraw/zinc/17/99/50/540179950.db2.gz OMPZZDAUSBBNOD-AWEZNQCLSA-N 2 2 277.412 2.281 10 0 CEAELP COc1c(C)cnc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1C ZINC000231669122 540179953 /nfs/dbraw/zinc/17/99/53/540179953.db2.gz OMPZZDAUSBBNOD-AWEZNQCLSA-N 2 2 277.412 2.281 10 0 CEAELP CCc1noc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178310892 189105894 /nfs/dbraw/zinc/10/58/94/189105894.db2.gz HCAJRUOZRNLYBQ-DGCLKSJQSA-N 2 2 289.383 2.363 10 0 CEAELP CCc1noc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000178310892 189105895 /nfs/dbraw/zinc/10/58/95/189105895.db2.gz HCAJRUOZRNLYBQ-DGCLKSJQSA-N 2 2 289.383 2.363 10 0 CEAELP [NH3+]C[C@H](O)C[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000026509428 361641543 /nfs/dbraw/zinc/64/15/43/361641543.db2.gz KGOJQLWIHSZINB-AWEZNQCLSA-N 2 2 294.782 2.255 10 0 CEAELP [NH3+]C[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000026509428 361641549 /nfs/dbraw/zinc/64/15/49/361641549.db2.gz KGOJQLWIHSZINB-AWEZNQCLSA-N 2 2 294.782 2.255 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839718 367580688 /nfs/dbraw/zinc/58/06/88/367580688.db2.gz KBLXAYSHKZVFCS-MNOVXSKESA-N 2 2 253.415 2.293 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839718 367580693 /nfs/dbraw/zinc/58/06/93/367580693.db2.gz KBLXAYSHKZVFCS-MNOVXSKESA-N 2 2 253.415 2.293 10 0 CEAELP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000173698580 367935812 /nfs/dbraw/zinc/93/58/12/367935812.db2.gz BCYQBFLAUDXKEV-KBPBESRZSA-N 2 2 293.411 2.424 10 0 CEAELP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000173698580 367935816 /nfs/dbraw/zinc/93/58/16/367935816.db2.gz BCYQBFLAUDXKEV-KBPBESRZSA-N 2 2 293.411 2.424 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000246118629 370911555 /nfs/dbraw/zinc/91/15/55/370911555.db2.gz IXBCOTXSCQUVTE-BFHYXJOUSA-N 2 2 289.427 2.265 10 0 CEAELP C[C@H](CCc1ccccc1)[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000246389907 370955324 /nfs/dbraw/zinc/95/53/24/370955324.db2.gz PGDRWCBHZZOBRZ-WBVHZDCISA-N 2 2 276.424 2.270 10 0 CEAELP C[C@H](CCc1ccccc1)[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000246389907 370955326 /nfs/dbraw/zinc/95/53/26/370955326.db2.gz PGDRWCBHZZOBRZ-WBVHZDCISA-N 2 2 276.424 2.270 10 0 CEAELP Cc1ccc(OCCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235680129 370573305 /nfs/dbraw/zinc/57/33/05/370573305.db2.gz VNXSIQUOINEXSP-HOCLYGCPSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1ccc(OCCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1C ZINC000235680129 370573309 /nfs/dbraw/zinc/57/33/09/370573309.db2.gz VNXSIQUOINEXSP-HOCLYGCPSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1cc[nH+]c(NCC(F)(F)C[NH3+])c1Br ZINC000235788476 370578472 /nfs/dbraw/zinc/57/84/72/370578472.db2.gz DTMSHLSJKIQEIR-UHFFFAOYSA-N 2 2 280.116 2.158 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)[nH+]c1 ZINC000249293241 371311211 /nfs/dbraw/zinc/31/12/11/371311211.db2.gz MOZRBIJPLIFISN-HUUCEWRRSA-N 2 2 275.396 2.385 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](CC[C@H]3CCCO3)C2)[nH+]c1 ZINC000249293241 371311214 /nfs/dbraw/zinc/31/12/14/371311214.db2.gz MOZRBIJPLIFISN-HUUCEWRRSA-N 2 2 275.396 2.385 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1[NH3+] ZINC000261926732 371772418 /nfs/dbraw/zinc/77/24/18/371772418.db2.gz CIFLEKOPAKVNDI-BLLLJJGKSA-N 2 2 260.381 2.254 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC3CC3)cc2)C[C@H]1[NH3+] ZINC000261926732 371772431 /nfs/dbraw/zinc/77/24/31/371772431.db2.gz CIFLEKOPAKVNDI-BLLLJJGKSA-N 2 2 260.381 2.254 10 0 CEAELP C[N@H+](C[C@@H]1C[C@H](F)CN1Cc1cccs1)CC(C)(C)[NH3+] ZINC000261982309 371789793 /nfs/dbraw/zinc/78/97/93/371789793.db2.gz RLNWTGLNZGIEIU-STQMWFEESA-N 2 2 299.459 2.330 10 0 CEAELP C[N@@H+](C[C@@H]1C[C@H](F)CN1Cc1cccs1)CC(C)(C)[NH3+] ZINC000261982309 371789804 /nfs/dbraw/zinc/78/98/04/371789804.db2.gz RLNWTGLNZGIEIU-STQMWFEESA-N 2 2 299.459 2.330 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000262028412 371803718 /nfs/dbraw/zinc/80/37/18/371803718.db2.gz NTVFFTGSRWEXHZ-NSHDSACASA-N 2 2 291.424 2.321 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000262028412 371803724 /nfs/dbraw/zinc/80/37/24/371803724.db2.gz NTVFFTGSRWEXHZ-NSHDSACASA-N 2 2 291.424 2.321 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000262120533 371825008 /nfs/dbraw/zinc/82/50/08/371825008.db2.gz XGNXDMQHRVEFSG-SKDRFNHKSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)F)c2)C[C@@H]1[NH3+] ZINC000262120533 371825015 /nfs/dbraw/zinc/82/50/15/371825015.db2.gz XGNXDMQHRVEFSG-SKDRFNHKSA-N 2 2 256.296 2.067 10 0 CEAELP CCc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC000272913784 373708839 /nfs/dbraw/zinc/70/88/39/373708839.db2.gz RTKCIMNZKUDLQW-RISCZKNCSA-N 2 2 262.401 2.488 10 0 CEAELP CCc1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc(C)[nH+]1 ZINC000272913784 373708847 /nfs/dbraw/zinc/70/88/47/373708847.db2.gz RTKCIMNZKUDLQW-RISCZKNCSA-N 2 2 262.401 2.488 10 0 CEAELP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170890 374741910 /nfs/dbraw/zinc/74/19/10/374741910.db2.gz CKTVDBSNFVPVJF-HIFRSBDPSA-N 2 2 280.412 2.394 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460847 375303722 /nfs/dbraw/zinc/30/37/22/375303722.db2.gz SCLBFMMJFOUHIQ-GFCCVEGCSA-N 2 2 276.409 2.322 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460847 375303728 /nfs/dbraw/zinc/30/37/28/375303728.db2.gz SCLBFMMJFOUHIQ-GFCCVEGCSA-N 2 2 276.409 2.322 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509328 376852609 /nfs/dbraw/zinc/85/26/09/376852609.db2.gz MVOJFXNSBPIGOP-LRDDRELGSA-N 2 2 275.396 2.390 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000328509328 376852617 /nfs/dbraw/zinc/85/26/17/376852617.db2.gz MVOJFXNSBPIGOP-LRDDRELGSA-N 2 2 275.396 2.390 10 0 CEAELP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188418958 542322596 /nfs/dbraw/zinc/32/25/96/542322596.db2.gz IZFVHOIKOQJAAK-OAHLLOKOSA-N 2 2 287.411 2.499 10 0 CEAELP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188418958 542322600 /nfs/dbraw/zinc/32/26/00/542322600.db2.gz IZFVHOIKOQJAAK-OAHLLOKOSA-N 2 2 287.411 2.499 10 0 CEAELP [NH3+][C@H]1CCC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000093224403 184656877 /nfs/dbraw/zinc/65/68/77/184656877.db2.gz UWPQDQFEHVINHO-GOEBONIOSA-N 3 2 265.445 2.207 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094383890 184792274 /nfs/dbraw/zinc/79/22/74/184792274.db2.gz ODFWTFFWXNCSOS-UONOGXRCSA-N 2 2 284.469 2.115 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCOC3(CCSCC3)C2)C1 ZINC000094383890 184792275 /nfs/dbraw/zinc/79/22/75/184792275.db2.gz ODFWTFFWXNCSOS-UONOGXRCSA-N 2 2 284.469 2.115 10 0 CEAELP C[NH2+][C@@H](C[NH+](C)C)[C@@H]1CCOC2(CCCCC2)C1 ZINC000094407389 184794156 /nfs/dbraw/zinc/79/41/56/184794156.db2.gz UGNQDAMYNIXWSD-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[NH2+]C[C@@H]1CCC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000094967563 184907482 /nfs/dbraw/zinc/90/74/82/184907482.db2.gz XTCPCBIRHXBCEY-AWEZNQCLSA-N 2 2 297.468 2.208 10 0 CEAELP COCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000094967563 184907483 /nfs/dbraw/zinc/90/74/83/184907483.db2.gz XTCPCBIRHXBCEY-AWEZNQCLSA-N 2 2 297.468 2.208 10 0 CEAELP C[NH2+]C[C@@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093068231 135078907 /nfs/dbraw/zinc/07/89/07/135078907.db2.gz SRKDKXJZAJULRI-ZIAGYGMSSA-N 2 2 279.403 2.192 10 0 CEAELP CC[C@@](C)([NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000094239245 135084691 /nfs/dbraw/zinc/08/46/91/135084691.db2.gz OHECHAGPMUKZKX-OAHLLOKOSA-N 2 2 265.376 2.075 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261613648 394604106 /nfs/dbraw/zinc/60/41/06/394604106.db2.gz SUTPSMZXIWWXBL-MWLCHTKSSA-N 2 2 271.286 2.289 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415078 396148231 /nfs/dbraw/zinc/14/82/31/396148231.db2.gz IPWZCCRDMBFZKT-LSDHHAIUSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415078 396148234 /nfs/dbraw/zinc/14/82/34/396148234.db2.gz IPWZCCRDMBFZKT-LSDHHAIUSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415078 396148237 /nfs/dbraw/zinc/14/82/37/396148237.db2.gz IPWZCCRDMBFZKT-LSDHHAIUSA-N 2 2 276.428 2.428 10 0 CEAELP CC[C@H]1C[N@H+](Cc2nccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416535 396148993 /nfs/dbraw/zinc/14/89/93/396148993.db2.gz CYAUZVOWSWAYKJ-QWHCGFSZSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2nccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416535 396148996 /nfs/dbraw/zinc/14/89/96/396148996.db2.gz CYAUZVOWSWAYKJ-QWHCGFSZSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@H]1CN(Cc2[nH+]ccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416535 396148999 /nfs/dbraw/zinc/14/89/99/396148999.db2.gz CYAUZVOWSWAYKJ-QWHCGFSZSA-N 2 2 250.390 2.023 10 0 CEAELP COc1cc2c(cc1F)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261943850 286255964 /nfs/dbraw/zinc/25/59/64/286255964.db2.gz NAHNBXFWHOXFCN-LBPRGKRZSA-N 2 2 278.371 2.192 10 0 CEAELP COc1cc2c(cc1F)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261943850 286255966 /nfs/dbraw/zinc/25/59/66/286255966.db2.gz NAHNBXFWHOXFCN-LBPRGKRZSA-N 2 2 278.371 2.192 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)C12CCOCC2 ZINC000249053340 286389967 /nfs/dbraw/zinc/38/99/67/286389967.db2.gz XBZRNAPVGPUXLF-CWRNSKLLSA-N 2 2 296.455 2.033 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)C12CCOCC2 ZINC000249053340 286389968 /nfs/dbraw/zinc/38/99/68/286389968.db2.gz XBZRNAPVGPUXLF-CWRNSKLLSA-N 2 2 296.455 2.033 10 0 CEAELP Cn1cc([C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C2)cn1 ZINC000180330946 165304546 /nfs/dbraw/zinc/30/45/46/165304546.db2.gz AAHDIXNFMCFVOO-CYBMUJFWSA-N 2 2 281.363 2.057 10 0 CEAELP Cn1cc([C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C2)cn1 ZINC000180330946 165304549 /nfs/dbraw/zinc/30/45/49/165304549.db2.gz AAHDIXNFMCFVOO-CYBMUJFWSA-N 2 2 281.363 2.057 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCSC1 ZINC000020266474 171122459 /nfs/dbraw/zinc/12/24/59/171122459.db2.gz MXZNOCQIFHHDNR-CYBMUJFWSA-N 2 2 254.374 2.092 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCSC1 ZINC000020266474 171122461 /nfs/dbraw/zinc/12/24/61/171122461.db2.gz MXZNOCQIFHHDNR-CYBMUJFWSA-N 2 2 254.374 2.092 10 0 CEAELP CC(C)[NH2+]Cc1c(-n2cc[nH+]c2)nc2sccn12 ZINC000035430374 172199308 /nfs/dbraw/zinc/19/93/08/172199308.db2.gz BKNRUXNBMGPGNJ-UHFFFAOYSA-N 2 2 261.354 2.080 10 0 CEAELP CCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000038046860 174056253 /nfs/dbraw/zinc/05/62/53/174056253.db2.gz HPLMXUWLJDSIOP-CYBMUJFWSA-N 2 2 272.396 2.098 10 0 CEAELP CCn1c2ccccc2nc1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000038046860 174056254 /nfs/dbraw/zinc/05/62/54/174056254.db2.gz HPLMXUWLJDSIOP-CYBMUJFWSA-N 2 2 272.396 2.098 10 0 CEAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)OCO2 ZINC000040638729 174362983 /nfs/dbraw/zinc/36/29/83/174362983.db2.gz KPFXRWQHJJAXLD-LLVKDONJSA-N 2 2 273.336 2.042 10 0 CEAELP Cc1csc2nc(C)c(C[NH2+]CCc3[nH+]ccn3C)n12 ZINC000040639142 174363591 /nfs/dbraw/zinc/36/35/91/174363591.db2.gz AECHXRUDORHHOA-UHFFFAOYSA-N 2 2 289.408 2.078 10 0 CEAELP C=COCCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671303 174369781 /nfs/dbraw/zinc/36/97/81/174369781.db2.gz LMCQDJSVURKATI-QGZVFWFLSA-N 2 2 274.408 2.443 10 0 CEAELP C=COCCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671303 174369782 /nfs/dbraw/zinc/36/97/82/174369782.db2.gz LMCQDJSVURKATI-QGZVFWFLSA-N 2 2 274.408 2.443 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(Cl)c1 ZINC000040749957 174394658 /nfs/dbraw/zinc/39/46/58/174394658.db2.gz WUHXDMLCJPYSBG-QXMXGUDHSA-N 2 2 293.798 2.233 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1 ZINC000040749957 174394659 /nfs/dbraw/zinc/39/46/59/174394659.db2.gz WUHXDMLCJPYSBG-QXMXGUDHSA-N 2 2 293.798 2.233 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040750033 174394786 /nfs/dbraw/zinc/39/47/86/174394786.db2.gz VNVHUGSMYBBPGN-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000040750033 174394788 /nfs/dbraw/zinc/39/47/88/174394788.db2.gz VNVHUGSMYBBPGN-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP COc1ccc[nH+]c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000128351918 414809036 /nfs/dbraw/zinc/80/90/36/414809036.db2.gz JFIILLKNJKRZJM-CYBMUJFWSA-N 2 2 261.369 2.059 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCCOC)CCOC ZINC000043335995 175012040 /nfs/dbraw/zinc/01/20/40/175012040.db2.gz KTSAHNWWLKCUCD-ZFWWWQNUSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCCOC)CCOC ZINC000043335995 175012041 /nfs/dbraw/zinc/01/20/41/175012041.db2.gz KTSAHNWWLKCUCD-ZFWWWQNUSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339602 175013665 /nfs/dbraw/zinc/01/36/65/175013665.db2.gz KEQBVOUPOINHEH-RDJZCZTQSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339602 175013666 /nfs/dbraw/zinc/01/36/66/175013666.db2.gz KEQBVOUPOINHEH-RDJZCZTQSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCC1 ZINC000043340872 175014576 /nfs/dbraw/zinc/01/45/76/175014576.db2.gz MQLJJXPKMPVGQQ-GOEBONIOSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCC1 ZINC000043340872 175014578 /nfs/dbraw/zinc/01/45/78/175014578.db2.gz MQLJJXPKMPVGQQ-GOEBONIOSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340851 175014646 /nfs/dbraw/zinc/01/46/46/175014646.db2.gz QBCOUFXXIUMOAL-WBVHZDCISA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340851 175014647 /nfs/dbraw/zinc/01/46/47/175014647.db2.gz QBCOUFXXIUMOAL-WBVHZDCISA-N 2 2 291.439 2.487 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353855 175020790 /nfs/dbraw/zinc/02/07/90/175020790.db2.gz KICKBWAONRRCPW-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353855 175020793 /nfs/dbraw/zinc/02/07/93/175020793.db2.gz KICKBWAONRRCPW-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)[C@@H](C)COC ZINC000043364901 175025236 /nfs/dbraw/zinc/02/52/36/175025236.db2.gz CFUHNERCZLZHKN-SUHUHFCYSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)[C@@H](C)COC ZINC000043364901 175025238 /nfs/dbraw/zinc/02/52/38/175025238.db2.gz CFUHNERCZLZHKN-SUHUHFCYSA-N 2 2 254.374 2.333 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819094 175113734 /nfs/dbraw/zinc/11/37/34/175113734.db2.gz SHVIBJNRFAVOOP-CABCVRRESA-N 2 2 282.428 2.136 10 0 CEAELP CCC[C@@H]([NH2+]CC)[C@@H](CC)[NH+](CCOC)CCOC ZINC000043912805 175124414 /nfs/dbraw/zinc/12/44/14/175124414.db2.gz CVWGILHPWJUACZ-HUUCEWRRSA-N 2 2 274.449 2.138 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@H+](C)CCOC ZINC000043915179 175124540 /nfs/dbraw/zinc/12/45/40/175124540.db2.gz BVURQTZWDDYPRS-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH2+][C@H]1c2ccccc2CCC[C@H]1[N@@H+](C)CCOC ZINC000043915179 175124541 /nfs/dbraw/zinc/12/45/41/175124541.db2.gz BVURQTZWDDYPRS-CVEARBPZSA-N 2 2 262.397 2.230 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043970160 175130938 /nfs/dbraw/zinc/13/09/38/175130938.db2.gz LUIOIRRKZJNHKE-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043970160 175130939 /nfs/dbraw/zinc/13/09/39/175130939.db2.gz LUIOIRRKZJNHKE-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969739 175131083 /nfs/dbraw/zinc/13/10/83/175131083.db2.gz XLSKOIKUTDUIIJ-DYVFJYSZSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969739 175131084 /nfs/dbraw/zinc/13/10/84/175131084.db2.gz XLSKOIKUTDUIIJ-DYVFJYSZSA-N 2 2 292.423 2.455 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969894 175131184 /nfs/dbraw/zinc/13/11/84/175131184.db2.gz AZZRDQSOUYUTTF-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969894 175131185 /nfs/dbraw/zinc/13/11/85/175131185.db2.gz AZZRDQSOUYUTTF-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP Cc1ccc([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121042 175143010 /nfs/dbraw/zinc/14/30/10/175143010.db2.gz ONNAZDDPAWKPNT-MRXNPFEDSA-N 2 2 262.397 2.054 10 0 CEAELP Cc1ccc([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121042 175143011 /nfs/dbraw/zinc/14/30/11/175143011.db2.gz ONNAZDDPAWKPNT-MRXNPFEDSA-N 2 2 262.397 2.054 10 0 CEAELP CC[NH+]1CCC([NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172055 175321658 /nfs/dbraw/zinc/32/16/58/175321658.db2.gz XMWVVGSAKDAGKX-LLVKDONJSA-N 2 2 264.417 2.172 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H]1CC)[NH2+]C ZINC000045367499 175363406 /nfs/dbraw/zinc/36/34/06/175363406.db2.gz LDMALBVJENFTNT-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H]1CC)[NH2+]C ZINC000045367499 175363407 /nfs/dbraw/zinc/36/34/07/175363407.db2.gz LDMALBVJENFTNT-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419934 175377626 /nfs/dbraw/zinc/37/76/26/175377626.db2.gz CTSRQLQUDMITEZ-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419934 175377627 /nfs/dbraw/zinc/37/76/27/175377627.db2.gz CTSRQLQUDMITEZ-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC[C@@H]2CC)C1 ZINC000071123467 176035434 /nfs/dbraw/zinc/03/54/34/176035434.db2.gz ZMGURZJVKIOKHI-SOUVJXGZSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC[C@@H]2CC)C1 ZINC000071123467 176035435 /nfs/dbraw/zinc/03/54/35/176035435.db2.gz ZMGURZJVKIOKHI-SOUVJXGZSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191380 176070695 /nfs/dbraw/zinc/07/06/95/176070695.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191380 176070696 /nfs/dbraw/zinc/07/06/96/176070696.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191380 176070697 /nfs/dbraw/zinc/07/06/97/176070697.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191380 176070698 /nfs/dbraw/zinc/07/06/98/176070698.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191420 176070810 /nfs/dbraw/zinc/07/08/10/176070810.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191420 176070812 /nfs/dbraw/zinc/07/08/12/176070812.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191420 176070814 /nfs/dbraw/zinc/07/08/14/176070814.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191420 176070815 /nfs/dbraw/zinc/07/08/15/176070815.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 3 2 269.477 2.286 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191957 176072404 /nfs/dbraw/zinc/07/24/04/176072404.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)o1 ZINC000071191957 176072405 /nfs/dbraw/zinc/07/24/05/176072405.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191957 176072406 /nfs/dbraw/zinc/07/24/06/176072406.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)o1 ZINC000071191957 176072408 /nfs/dbraw/zinc/07/24/08/176072408.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 3 2 279.428 2.163 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@](C)([NH3+])c1ccccc1 ZINC000071213768 176085366 /nfs/dbraw/zinc/08/53/66/176085366.db2.gz KYTJWEOOISCXGU-AWEZNQCLSA-N 2 2 261.394 2.415 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@@H]([NH3+])Cc1ccccc1 ZINC000071213759 176085461 /nfs/dbraw/zinc/08/54/61/176085461.db2.gz WGGICXOXYHJKET-ZDUSSCGKSA-N 2 2 261.394 2.111 10 0 CEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc(Cl)s1 ZINC000071229106 176091056 /nfs/dbraw/zinc/09/10/56/176091056.db2.gz CLEKFJLAXQYSHV-UHFFFAOYSA-N 2 2 275.805 2.176 10 0 CEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc(Cl)s1 ZINC000071229106 176091057 /nfs/dbraw/zinc/09/10/57/176091057.db2.gz CLEKFJLAXQYSHV-UHFFFAOYSA-N 2 2 275.805 2.176 10 0 CEAELP CC[N@H+](Cc1ccc(O)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312375 176119146 /nfs/dbraw/zinc/11/91/46/176119146.db2.gz IGRIFMGRMCWACS-LLVKDONJSA-N 2 2 254.761 2.229 10 0 CEAELP CC[N@@H+](Cc1ccc(O)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071312375 176119147 /nfs/dbraw/zinc/11/91/47/176119147.db2.gz IGRIFMGRMCWACS-LLVKDONJSA-N 2 2 254.761 2.229 10 0 CEAELP CCC[N@H+](Cc1ccc(O)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000071314663 176121235 /nfs/dbraw/zinc/12/12/35/176121235.db2.gz YTDDRECLEZFEOL-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@@H]1CC[NH2+]C1 ZINC000071314663 176121237 /nfs/dbraw/zinc/12/12/37/176121237.db2.gz YTDDRECLEZFEOL-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342525 176130656 /nfs/dbraw/zinc/13/06/56/176130656.db2.gz MLJBLLZFAFQSGL-GJZGRUSLSA-N 2 2 278.444 2.372 10 0 CEAELP CC[C@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342525 176130657 /nfs/dbraw/zinc/13/06/57/176130657.db2.gz MLJBLLZFAFQSGL-GJZGRUSLSA-N 2 2 278.444 2.372 10 0 CEAELP CCC[C@@H]1C[NH2+][C@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000071356832 176136648 /nfs/dbraw/zinc/13/66/48/176136648.db2.gz XFWLTABULOIXDE-HZPDHXFCSA-N 2 2 278.444 2.434 10 0 CEAELP [NH3+]CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390531498 262210312 /nfs/dbraw/zinc/21/03/12/262210312.db2.gz DXHUJALJXHWYOZ-ALOPSCKCSA-N 3 2 273.424 2.120 10 0 CEAELP [NH3+]CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390531498 262210314 /nfs/dbraw/zinc/21/03/14/262210314.db2.gz DXHUJALJXHWYOZ-ALOPSCKCSA-N 3 2 273.424 2.120 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631008 278989784 /nfs/dbraw/zinc/98/97/84/278989784.db2.gz PPAAMOXWTUWCAX-XQLPTFJDSA-N 2 2 268.445 2.366 10 0 CEAELP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248482427 280349779 /nfs/dbraw/zinc/34/97/79/280349779.db2.gz IWPBASLFPOHIFD-KFWWJZLASA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000248482427 280349780 /nfs/dbraw/zinc/34/97/80/280349780.db2.gz IWPBASLFPOHIFD-KFWWJZLASA-N 2 2 254.418 2.075 10 0 CEAELP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000262053018 281212605 /nfs/dbraw/zinc/21/26/05/281212605.db2.gz ILHKSJSIVDJRSY-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP Cc1cccc(C)c1OCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000262053018 281212606 /nfs/dbraw/zinc/21/26/06/281212606.db2.gz ILHKSJSIVDJRSY-HNNXBMFYSA-N 2 2 262.397 2.495 10 0 CEAELP C[NH+](C)C[C@H]1C[N@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000183399510 289218021 /nfs/dbraw/zinc/21/80/21/289218021.db2.gz OXLIBHRDODURBO-INIZCTEOSA-N 2 2 276.424 2.227 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+](CC(C)(C)c2ccccc2)CCO1 ZINC000183399510 289218024 /nfs/dbraw/zinc/21/80/24/289218024.db2.gz OXLIBHRDODURBO-INIZCTEOSA-N 2 2 276.424 2.227 10 0 CEAELP COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644436 295297461 /nfs/dbraw/zinc/29/74/61/295297461.db2.gz MZJPDTPTYQMPPA-OCCSQVGLSA-N 2 2 278.396 2.263 10 0 CEAELP COc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1OC ZINC000261644436 295297462 /nfs/dbraw/zinc/29/74/62/295297462.db2.gz MZJPDTPTYQMPPA-OCCSQVGLSA-N 2 2 278.396 2.263 10 0 CEAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCO1 ZINC000052540788 519745510 /nfs/dbraw/zinc/74/55/10/519745510.db2.gz MTWLTGQGDOUJMH-LSDHHAIUSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000052540788 519745512 /nfs/dbraw/zinc/74/55/12/519745512.db2.gz MTWLTGQGDOUJMH-LSDHHAIUSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC(C)C)C(=O)OC ZINC000054629288 519911227 /nfs/dbraw/zinc/91/12/27/519911227.db2.gz MNDRSRBKCCSKBH-DKUMPPAJSA-N 2 2 282.428 2.179 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC(C)C)C(=O)OC ZINC000054629288 519911231 /nfs/dbraw/zinc/91/12/31/519911231.db2.gz MNDRSRBKCCSKBH-DKUMPPAJSA-N 2 2 282.428 2.179 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380290 519959241 /nfs/dbraw/zinc/95/92/41/519959241.db2.gz OFSFYJHELDVIDD-CHWSQXEVSA-N 2 2 266.385 2.388 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@H](C)n1cc[nH+]c1C)[NH2+]C(C)C ZINC000068648836 521153666 /nfs/dbraw/zinc/15/36/66/521153666.db2.gz FWUWULFXMQCYIZ-SWLSCSKDSA-N 2 2 281.400 2.462 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412322 533810776 /nfs/dbraw/zinc/81/07/76/533810776.db2.gz UKNDUZSHAZJHDC-DOTOQJQBSA-N 3 2 287.451 2.239 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@H](C)C[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000068629007 519713634 /nfs/dbraw/zinc/71/36/34/519713634.db2.gz OMCCDBCMZBNSKU-RHSMWYFYSA-N 2 2 297.487 2.375 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+]1CCOCC1(C)C ZINC000052546109 519730106 /nfs/dbraw/zinc/73/01/06/519730106.db2.gz LZEVQIOXLYZVKM-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+]1CCOCC1(C)C ZINC000052546109 519730107 /nfs/dbraw/zinc/73/01/07/519730107.db2.gz LZEVQIOXLYZVKM-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)C1CCOCC1 ZINC000052481087 519745558 /nfs/dbraw/zinc/74/55/58/519745558.db2.gz YCBSVPNSNXKRLB-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)C1CCOCC1 ZINC000052481087 519745560 /nfs/dbraw/zinc/74/55/60/519745560.db2.gz YCBSVPNSNXKRLB-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@@H+]2CCCN(C)CC2)o1 ZINC000052424199 519747093 /nfs/dbraw/zinc/74/70/93/519747093.db2.gz UFAGYWUNVFBZIC-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@H+]2CCCN(C)CC2)o1 ZINC000052424199 519747095 /nfs/dbraw/zinc/74/70/95/519747095.db2.gz UFAGYWUNVFBZIC-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CCCC[C@](CC)(C[NH3+])N(C)Cc1[nH+]ccn1C ZINC000069381012 521253800 /nfs/dbraw/zinc/25/38/00/521253800.db2.gz TYZFVKWUADBEDM-CQSZACIVSA-N 2 2 252.406 2.150 10 0 CEAELP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000052443392 522017384 /nfs/dbraw/zinc/01/73/84/522017384.db2.gz HRZIXBVGALFQCX-CYBMUJFWSA-N 2 2 281.831 2.460 10 0 CEAELP C[NH2+]Cc1ccoc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484202 522139069 /nfs/dbraw/zinc/13/90/69/522139069.db2.gz GMQWWNAXVGGDMD-UHFFFAOYSA-N 3 2 291.439 2.449 10 0 CEAELP CC[C@@H](C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068694496 522403825 /nfs/dbraw/zinc/40/38/25/522403825.db2.gz DMMGKEKVDRFZGY-UKRRQHHQSA-N 2 2 272.396 2.154 10 0 CEAELP C[NH2+][C@@](C)(C[C@@H](C)n1c[nH+]c2cc(C)c(C)cc21)C(N)=O ZINC000068648739 522418456 /nfs/dbraw/zinc/41/84/56/522418456.db2.gz HZVXDVVRVRMYJH-WBMJQRKESA-N 2 2 288.395 2.068 10 0 CEAELP CCc1[nH+]c2ccccc2n1CCC[C@](C)([NH3+])C(=O)OC ZINC000062808033 522501532 /nfs/dbraw/zinc/50/15/32/522501532.db2.gz FITKFTMLWONZTD-INIZCTEOSA-N 2 2 289.379 2.269 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546448 523259332 /nfs/dbraw/zinc/25/93/32/523259332.db2.gz PHXQWMJFYQUUAN-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546448 523259338 /nfs/dbraw/zinc/25/93/38/523259338.db2.gz PHXQWMJFYQUUAN-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP CC[C@H]1COCC[N@@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181970 523332997 /nfs/dbraw/zinc/33/29/97/523332997.db2.gz JHTIAHJLHAUBRT-INIZCTEOSA-N 2 2 298.471 2.140 10 0 CEAELP CC[C@H]1COCC[N@H+]1CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181970 523333004 /nfs/dbraw/zinc/33/30/04/523333004.db2.gz JHTIAHJLHAUBRT-INIZCTEOSA-N 2 2 298.471 2.140 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757297 524169291 /nfs/dbraw/zinc/16/92/91/524169291.db2.gz CBCHKVVYMLHBKM-LXZKKBNFSA-N 2 2 292.423 2.320 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757297 524169297 /nfs/dbraw/zinc/16/92/97/524169297.db2.gz CBCHKVVYMLHBKM-LXZKKBNFSA-N 2 2 292.423 2.320 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2cccc3cccnc32)CCCO1 ZINC000069502775 524664700 /nfs/dbraw/zinc/66/47/00/524664700.db2.gz HUKPADJOLQIHEY-BBRMVZONSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2cccc3cccnc32)CCCO1 ZINC000069502775 524664707 /nfs/dbraw/zinc/66/47/07/524664707.db2.gz HUKPADJOLQIHEY-BBRMVZONSA-N 2 2 285.391 2.345 10 0 CEAELP C[C@@H](C[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515205 524733356 /nfs/dbraw/zinc/73/33/56/524733356.db2.gz USHZTWRIUCHJCJ-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP C[C@H]1C[NH2+]CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000051017771 524692973 /nfs/dbraw/zinc/69/29/73/524692973.db2.gz HRKOOLUDYPJJLL-NSHDSACASA-N 2 2 254.324 2.396 10 0 CEAELP C[C@H]1C[NH2+]CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000051017771 524692986 /nfs/dbraw/zinc/69/29/86/524692986.db2.gz HRKOOLUDYPJJLL-NSHDSACASA-N 2 2 254.324 2.396 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000068635999 524862013 /nfs/dbraw/zinc/86/20/13/524862013.db2.gz QDMLPDOFIJHXCC-LBEHMCEESA-N 2 2 295.471 2.272 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000068635999 524862025 /nfs/dbraw/zinc/86/20/25/524862025.db2.gz QDMLPDOFIJHXCC-LBEHMCEESA-N 2 2 295.471 2.272 10 0 CEAELP COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)CCO2 ZINC000049554314 525578056 /nfs/dbraw/zinc/57/80/56/525578056.db2.gz CDPGPAGYEWXLGT-WFASDCNBSA-N 2 2 278.396 2.449 10 0 CEAELP Cc1cc2[nH+]cn(Cc3cc[nH+]c(NN)c3)c2cc1C ZINC000052726192 525685621 /nfs/dbraw/zinc/68/56/21/525685621.db2.gz UFFBTNITRMGHLP-UHFFFAOYSA-N 2 2 267.336 2.382 10 0 CEAELP Cc1[nH]c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c[nH+]1 ZINC000054821823 526890970 /nfs/dbraw/zinc/89/09/70/526890970.db2.gz YUPLGYKZSNHICL-VIFPVBQESA-N 2 2 259.309 2.298 10 0 CEAELP Cc1[nH]c(CNc2ccc(-n3cc[nH+]c3C)nc2)c[nH+]1 ZINC000054822207 526896327 /nfs/dbraw/zinc/89/63/27/526896327.db2.gz QPCYMEJFAVJZBG-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP Cc1[nH]cc(CNc2ccc(-n3cc[nH+]c3C)nc2)[nH+]1 ZINC000054822207 526896330 /nfs/dbraw/zinc/89/63/30/526896330.db2.gz QPCYMEJFAVJZBG-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1cccc(C(F)(F)F)c1 ZINC000052304064 527199223 /nfs/dbraw/zinc/19/92/23/527199223.db2.gz OOGUYMBWERNYEK-UHFFFAOYSA-N 2 2 269.270 2.451 10 0 CEAELP C[N@H+](C/C=C\Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000255392941 623934648 /nfs/dbraw/zinc/93/46/48/623934648.db2.gz DJYMQKREUIJAMX-KXFIGUGUSA-N 2 2 282.819 2.032 10 0 CEAELP C[N@@H+](C/C=C\Cl)C1CC[NH+](CCn2cccn2)CC1 ZINC000255392941 623934649 /nfs/dbraw/zinc/93/46/49/623934649.db2.gz DJYMQKREUIJAMX-KXFIGUGUSA-N 2 2 282.819 2.032 10 0 CEAELP CCC1CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000133903723 652742891 /nfs/dbraw/zinc/74/28/91/652742891.db2.gz OOKFZPVYIFYHBV-PPWQZUPISA-N 2 2 254.418 2.312 10 0 CEAELP CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973343 361801639 /nfs/dbraw/zinc/80/16/39/361801639.db2.gz UOWNODDFUCFZOH-MRXNPFEDSA-N 2 2 262.397 2.277 10 0 CEAELP CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973343 361801643 /nfs/dbraw/zinc/80/16/43/361801643.db2.gz UOWNODDFUCFZOH-MRXNPFEDSA-N 2 2 262.397 2.277 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002114 539032461 /nfs/dbraw/zinc/03/24/61/539032461.db2.gz IFMQAFHBOXKMFO-MRXNPFEDSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C2CC2)C1 ZINC000122002114 539032463 /nfs/dbraw/zinc/03/24/63/539032463.db2.gz IFMQAFHBOXKMFO-MRXNPFEDSA-N 2 2 274.408 2.374 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272427 539215625 /nfs/dbraw/zinc/21/56/25/539215625.db2.gz QAVQCCDLVNFZQS-ZYHUDNBSSA-N 2 2 296.440 2.051 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272427 539215626 /nfs/dbraw/zinc/21/56/26/539215626.db2.gz QAVQCCDLVNFZQS-ZYHUDNBSSA-N 2 2 296.440 2.051 10 0 CEAELP c1c(CN(C[C@H]2CCC[NH2+]2)C2CC2)[nH+]c2ccccn12 ZINC000328654683 344757928 /nfs/dbraw/zinc/75/79/28/344757928.db2.gz XQOHXTGHQQRRRM-CYBMUJFWSA-N 2 2 270.380 2.051 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000398999706 344856461 /nfs/dbraw/zinc/85/64/61/344856461.db2.gz RMVVPYACVCTXLA-LBPRGKRZSA-N 2 2 282.815 2.447 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3csnn3)C2)[nH+]1 ZINC000128283058 187361795 /nfs/dbraw/zinc/36/17/95/187361795.db2.gz GHCNSZKEYSUDSF-GFCCVEGCSA-N 2 2 289.408 2.176 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3csnn3)C2)[nH+]1 ZINC000128283058 187361797 /nfs/dbraw/zinc/36/17/97/187361797.db2.gz GHCNSZKEYSUDSF-GFCCVEGCSA-N 2 2 289.408 2.176 10 0 CEAELP CCc1ccc([N@H+](C)CCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303607 179011066 /nfs/dbraw/zinc/01/10/66/179011066.db2.gz QOGZEFFAPXYCNW-OAHLLOKOSA-N 2 2 250.386 2.175 10 0 CEAELP CCc1ccc([N@@H+](C)CCC[C@@](C)(O)C[NH3+])cc1 ZINC000085303607 179011068 /nfs/dbraw/zinc/01/10/68/179011068.db2.gz QOGZEFFAPXYCNW-OAHLLOKOSA-N 2 2 250.386 2.175 10 0 CEAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000085363097 179034604 /nfs/dbraw/zinc/03/46/04/179034604.db2.gz XTFDDPIOXFFDBQ-QWHCGFSZSA-N 2 2 270.336 2.143 10 0 CEAELP CC(C)[C@H]1C[N@H+]([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468379 179073292 /nfs/dbraw/zinc/07/32/92/179073292.db2.gz WTCMSBHGPPJIRS-ZIAGYGMSSA-N 2 2 252.402 2.018 10 0 CEAELP CC(C)[C@H]1C[N@@H+]([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468379 179073293 /nfs/dbraw/zinc/07/32/93/179073293.db2.gz WTCMSBHGPPJIRS-ZIAGYGMSSA-N 2 2 252.402 2.018 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C)CN1CCn1cc[nH+]c1C ZINC000085454308 179066944 /nfs/dbraw/zinc/06/69/44/179066944.db2.gz WLBZIWZTAMGULA-CYBMUJFWSA-N 2 2 264.417 2.044 10 0 CEAELP CC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474991 179078478 /nfs/dbraw/zinc/07/84/78/179078478.db2.gz BDGALORIBOFPQM-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085474991 179078481 /nfs/dbraw/zinc/07/84/81/179078481.db2.gz BDGALORIBOFPQM-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H]1C[N@H+](C[C@@H]2CCCO2)C(CC)(CC)C[NH2+]1 ZINC000085474684 179079117 /nfs/dbraw/zinc/07/91/17/179079117.db2.gz LADDDOYBBUJCLK-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1C[N@@H+](C[C@@H]2CCCO2)C(CC)(CC)C[NH2+]1 ZINC000085474684 179079119 /nfs/dbraw/zinc/07/91/19/179079119.db2.gz LADDDOYBBUJCLK-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[N@@H+]1CC2(CCCC2)[NH2+]CC12CCCC2 ZINC000085498716 179083803 /nfs/dbraw/zinc/08/38/03/179083803.db2.gz JRRNWZWITLRYNZ-UHFFFAOYSA-N 2 2 252.402 2.164 10 0 CEAELP COCC[N@H+]1CC2(CCCC2)[NH2+]CC12CCCC2 ZINC000085498716 179083804 /nfs/dbraw/zinc/08/38/04/179083804.db2.gz JRRNWZWITLRYNZ-UHFFFAOYSA-N 2 2 252.402 2.164 10 0 CEAELP CC1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085503534 179084008 /nfs/dbraw/zinc/08/40/08/179084008.db2.gz XTQBLTHHZSKMSN-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085503534 179084009 /nfs/dbraw/zinc/08/40/09/179084009.db2.gz XTQBLTHHZSKMSN-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085624042 179106556 /nfs/dbraw/zinc/10/65/56/179106556.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 3 2 278.444 2.372 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085624042 179106558 /nfs/dbraw/zinc/10/65/58/179106558.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 3 2 278.444 2.372 10 0 CEAELP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1CC1CCOCC1 ZINC000085623894 179107061 /nfs/dbraw/zinc/10/70/61/179107061.db2.gz DXZYPSLJWLFJNJ-XJKSGUPXSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@H+]1CC1CCOCC1 ZINC000085623894 179107062 /nfs/dbraw/zinc/10/70/62/179107062.db2.gz DXZYPSLJWLFJNJ-XJKSGUPXSA-N 2 2 266.429 2.266 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623711 179107251 /nfs/dbraw/zinc/10/72/51/179107251.db2.gz UQGYHICKJGNDLQ-SUMWQHHRSA-N 2 2 289.423 2.443 10 0 CEAELP COc1cccc(C[N@H+]2C[C@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623711 179107253 /nfs/dbraw/zinc/10/72/53/179107253.db2.gz UQGYHICKJGNDLQ-SUMWQHHRSA-N 2 2 289.423 2.443 10 0 CEAELP CC(C)Cc1nc2c(n1[C@H](C)Cn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573545 179099764 /nfs/dbraw/zinc/09/97/64/179099764.db2.gz BRCWIOAXYVOSIR-CYBMUJFWSA-N 2 2 287.411 2.185 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616979 179104044 /nfs/dbraw/zinc/10/40/44/179104044.db2.gz QFDBUTUIKYBHBE-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085616979 179104047 /nfs/dbraw/zinc/10/40/47/179104047.db2.gz QFDBUTUIKYBHBE-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP CC(C)C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H](C)CC[NH2+]1 ZINC000085621712 179105358 /nfs/dbraw/zinc/10/53/58/179105358.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 3 2 278.444 2.372 10 0 CEAELP CC(C)C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)CC[NH2+]1 ZINC000085621712 179105360 /nfs/dbraw/zinc/10/53/60/179105360.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 3 2 278.444 2.372 10 0 CEAELP CC1(C)[C@H]([NH2+]CCCCn2cc[nH+]c2)[C@@H]2CCO[C@@H]21 ZINC000085637377 179110219 /nfs/dbraw/zinc/11/02/19/179110219.db2.gz BSAMAVYLTWGWMP-MJBXVCDLSA-N 2 2 263.385 2.066 10 0 CEAELP CC(C)[C@@H]1CN(CC2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086173671 179244782 /nfs/dbraw/zinc/24/47/82/179244782.db2.gz PXNABJGOBWOLQW-IRXDYDNUSA-N 2 2 281.488 2.283 10 0 CEAELP COC[C@H](C)[N@@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086179899 179246296 /nfs/dbraw/zinc/24/62/96/179246296.db2.gz CJMVNMIPMZJNRO-CFVMTHIKSA-N 2 2 254.418 2.120 10 0 CEAELP COC[C@H](C)[N@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086179899 179246297 /nfs/dbraw/zinc/24/62/97/179246297.db2.gz CJMVNMIPMZJNRO-CFVMTHIKSA-N 2 2 254.418 2.120 10 0 CEAELP C[C@@H](CC[NH+](C)C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290450 179265460 /nfs/dbraw/zinc/26/54/60/179265460.db2.gz HWTMNXLRTQVQOB-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP C[C@@H](CC[NH+](C)C)[N@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290450 179265462 /nfs/dbraw/zinc/26/54/62/179265462.db2.gz HWTMNXLRTQVQOB-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP COc1ccc(CC[N@@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000086269436 179262127 /nfs/dbraw/zinc/26/21/27/179262127.db2.gz IEDKRKGYVQZZQM-UHFFFAOYSA-N 2 2 262.397 2.312 10 0 CEAELP COc1ccc(CC[N@H+]2CCC[NH2+]C(C)(C)C2)cc1 ZINC000086269436 179262130 /nfs/dbraw/zinc/26/21/30/179262130.db2.gz IEDKRKGYVQZZQM-UHFFFAOYSA-N 2 2 262.397 2.312 10 0 CEAELP CC(C)C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291445 179265802 /nfs/dbraw/zinc/26/58/02/179265802.db2.gz UQYFZTYSPAZUER-INIZCTEOSA-N 3 2 267.461 2.038 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291445 179265803 /nfs/dbraw/zinc/26/58/03/179265803.db2.gz UQYFZTYSPAZUER-INIZCTEOSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292715 179266609 /nfs/dbraw/zinc/26/66/09/179266609.db2.gz GYVMJGHJUYNJER-RISCZKNCSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292715 179266610 /nfs/dbraw/zinc/26/66/10/179266610.db2.gz GYVMJGHJUYNJER-RISCZKNCSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296309 179268360 /nfs/dbraw/zinc/26/83/60/179268360.db2.gz RMUHWJHQBQYMHM-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296309 179268361 /nfs/dbraw/zinc/26/83/61/179268361.db2.gz RMUHWJHQBQYMHM-UKRRQHHQSA-N 2 2 277.412 2.300 10 0 CEAELP C[N@H+](CCc1cccs1)Cc1cccc(NN)[nH+]1 ZINC000086441622 179292984 /nfs/dbraw/zinc/29/29/84/179292984.db2.gz MSYLMDNCQZTXMF-UHFFFAOYSA-N 2 2 262.382 2.103 10 0 CEAELP C[N@@H+](CCc1cccs1)Cc1cccc(NN)[nH+]1 ZINC000086441622 179292986 /nfs/dbraw/zinc/29/29/86/179292986.db2.gz MSYLMDNCQZTXMF-UHFFFAOYSA-N 2 2 262.382 2.103 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000086655224 179316274 /nfs/dbraw/zinc/31/62/74/179316274.db2.gz QWLJQNJLESQNFE-IRXDYDNUSA-N 2 2 276.424 2.316 10 0 CEAELP CC[NH2+][C@@H](Cc1ccccc1)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000086655224 179316277 /nfs/dbraw/zinc/31/62/77/179316277.db2.gz QWLJQNJLESQNFE-IRXDYDNUSA-N 2 2 276.424 2.316 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895064 365939326 /nfs/dbraw/zinc/93/93/26/365939326.db2.gz MKAJNEGXFQPIKD-HIFRSBDPSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895064 365939329 /nfs/dbraw/zinc/93/93/29/365939329.db2.gz MKAJNEGXFQPIKD-HIFRSBDPSA-N 2 2 262.397 2.310 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836662 179351681 /nfs/dbraw/zinc/35/16/81/179351681.db2.gz BCPHVCUNPDVSDE-HZPDHXFCSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000086836662 179351682 /nfs/dbraw/zinc/35/16/82/179351682.db2.gz BCPHVCUNPDVSDE-HZPDHXFCSA-N 3 2 269.477 2.425 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836927 179351818 /nfs/dbraw/zinc/35/18/18/179351818.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836927 179351819 /nfs/dbraw/zinc/35/18/19/179351819.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836929 179351920 /nfs/dbraw/zinc/35/19/20/179351920.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836929 179351923 /nfs/dbraw/zinc/35/19/23/179351923.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 3 2 269.477 2.427 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@]2([NH3+])CCCOCC2)c1C ZINC000086870392 179363740 /nfs/dbraw/zinc/36/37/40/179363740.db2.gz YEIRVQPCAMNYIO-OAHLLOKOSA-N 2 2 264.369 2.148 10 0 CEAELP COc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875146 179364727 /nfs/dbraw/zinc/36/47/27/179364727.db2.gz NUAGAGCOEVGYLU-MRXNPFEDSA-N 2 2 278.396 2.025 10 0 CEAELP COc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CCCOCC1 ZINC000086875146 179364729 /nfs/dbraw/zinc/36/47/29/179364729.db2.gz NUAGAGCOEVGYLU-MRXNPFEDSA-N 2 2 278.396 2.025 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2[nH+]ccn2C)CC1 ZINC000086891364 179366009 /nfs/dbraw/zinc/36/60/09/179366009.db2.gz GGXAYXQRJJEZGX-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913307 179367371 /nfs/dbraw/zinc/36/73/71/179367371.db2.gz BQSFFYQTZQLDTC-ZBFHGGJFSA-N 2 2 276.428 2.387 10 0 CEAELP CC1CCC(O)(C[NH2+]C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000087045232 179388162 /nfs/dbraw/zinc/38/81/62/179388162.db2.gz AGIOGDNGPUNOGI-SHARSMKWSA-N 2 2 254.418 2.002 10 0 CEAELP CC1CCC(O)(C[NH2+]C[C@H]2CCCC[N@H+]2C)CC1 ZINC000087045232 179388163 /nfs/dbraw/zinc/38/81/63/179388163.db2.gz AGIOGDNGPUNOGI-SHARSMKWSA-N 2 2 254.418 2.002 10 0 CEAELP Nc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616595496 348528269 /nfs/dbraw/zinc/52/82/69/348528269.db2.gz VQESZDZGXOIFEV-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP Nc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616595496 348528273 /nfs/dbraw/zinc/52/82/73/348528273.db2.gz VQESZDZGXOIFEV-INIZCTEOSA-N 2 2 283.375 2.458 10 0 CEAELP CC(=O)Nc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616600423 348529994 /nfs/dbraw/zinc/52/99/94/348529994.db2.gz FDPKPMJRHYXWQJ-CQSZACIVSA-N 2 2 275.396 2.173 10 0 CEAELP CC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616600423 348529996 /nfs/dbraw/zinc/52/99/96/348529996.db2.gz FDPKPMJRHYXWQJ-CQSZACIVSA-N 2 2 275.396 2.173 10 0 CEAELP CCC[NH2+]Cc1cn(Cc2[nH+]ccn2C)c2ncccc12 ZINC000091020391 180088009 /nfs/dbraw/zinc/08/80/09/180088009.db2.gz KXCMMKYWLZIHPR-UHFFFAOYSA-N 2 2 283.379 2.318 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000091272967 180117938 /nfs/dbraw/zinc/11/79/38/180117938.db2.gz XEOITEHGVRCHND-LSDHHAIUSA-N 2 2 262.401 2.180 10 0 CEAELP CC(C)CN1CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275642 180118898 /nfs/dbraw/zinc/11/88/98/180118898.db2.gz QTSMSCFABCCUGF-UKRRQHHQSA-N 2 2 262.401 2.338 10 0 CEAELP [NH3+]C[C@@H](Nc1ccccc1F)c1c[nH+]cn1C1CC1 ZINC000091276657 180119569 /nfs/dbraw/zinc/11/95/69/180119569.db2.gz MIUKEGATYDVQIZ-CYBMUJFWSA-N 2 2 260.316 2.469 10 0 CEAELP CC[C@H]1CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276274 180119741 /nfs/dbraw/zinc/11/97/41/180119741.db2.gz CFBJBMUMHILKGL-JSGCOSHPSA-N 2 2 262.401 2.340 10 0 CEAELP COc1cccc(N(C)[C@H](C[NH3+])c2c[nH+]cn2C2CC2)c1 ZINC000091276474 180120284 /nfs/dbraw/zinc/12/02/84/180120284.db2.gz GGRLXQMXQSRSMM-OAHLLOKOSA-N 2 2 286.379 2.363 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N1CCc2ccccc2C1 ZINC000091276191 180120535 /nfs/dbraw/zinc/12/05/35/180120535.db2.gz WXIWXZPWKPFMSQ-MRXNPFEDSA-N 2 2 282.391 2.276 10 0 CEAELP C[C@H]([NH3+])CCc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278224 180120764 /nfs/dbraw/zinc/12/07/64/180120764.db2.gz SIMCWAVEKKJIBD-LBPRGKRZSA-N 2 2 259.353 2.279 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461671 180161264 /nfs/dbraw/zinc/16/12/64/180161264.db2.gz XGMNXUDPUHVHGG-ZWHFUDEPSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461671 180161266 /nfs/dbraw/zinc/16/12/66/180161266.db2.gz XGMNXUDPUHVHGG-ZWHFUDEPSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)[N@H+](C)CC1CC(O)C1 ZINC000091463794 180162560 /nfs/dbraw/zinc/16/25/60/180162560.db2.gz OGMOYCSUNIFANI-DCNYZXSGSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)[N@@H+](C)CC1CC(O)C1 ZINC000091463794 180162562 /nfs/dbraw/zinc/16/25/62/180162562.db2.gz OGMOYCSUNIFANI-DCNYZXSGSA-N 2 2 280.387 2.307 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)cc1 ZINC000091464200 180162906 /nfs/dbraw/zinc/16/29/06/180162906.db2.gz HMVHNTAXYSBWTJ-QTISTPMNSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091464200 180162909 /nfs/dbraw/zinc/16/29/09/180162909.db2.gz HMVHNTAXYSBWTJ-QTISTPMNSA-N 2 2 262.397 2.086 10 0 CEAELP C[C@H]([NH3+])C(C)(C)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000091402340 180147128 /nfs/dbraw/zinc/14/71/28/180147128.db2.gz BHRORUUYYBLJEE-HNNXBMFYSA-N 2 2 275.440 2.178 10 0 CEAELP CCCc1[nH+]ccn1-c1cncc(C[NH2+]C(C)C)n1 ZINC000091422538 180151377 /nfs/dbraw/zinc/15/13/77/180151377.db2.gz ZGPAVQMWXZBBBI-UHFFFAOYSA-N 2 2 259.357 2.113 10 0 CEAELP CC[NH+](CC)[C@](C)(CC)[C@@H](N)c1c[nH+]ccc1N ZINC000091573711 180196040 /nfs/dbraw/zinc/19/60/40/180196040.db2.gz FFUHCZBPPQPTKX-UONOGXRCSA-N 2 2 250.390 2.174 10 0 CEAELP CC[C@](C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608182 180204432 /nfs/dbraw/zinc/20/44/32/180204432.db2.gz PJFXVHGAYNFOMX-MRXNPFEDSA-N 2 2 275.396 2.430 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCC1 ZINC000091535720 180182182 /nfs/dbraw/zinc/18/21/82/180182182.db2.gz AQLQOYVZLSRROI-OAHLLOKOSA-N 3 2 276.428 2.059 10 0 CEAELP CCC(CC)([C@@H](N)c1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634811 180210895 /nfs/dbraw/zinc/21/08/95/180210895.db2.gz AUTPKBWPGXOCEV-AWEZNQCLSA-N 2 2 262.401 2.318 10 0 CEAELP Cc1cc[nH+]c(N)c1[C@H](O)C1([NH+](C)C)CCCCC1 ZINC000091646626 180215411 /nfs/dbraw/zinc/21/54/11/180215411.db2.gz HJOSEPHUDZYSLE-ZDUSSCGKSA-N 2 2 263.385 2.270 10 0 CEAELP C[C@H]1CCC[C@@](C(=O)Cc2ccc[nH+]c2N)([NH+](C)C)C1 ZINC000091650481 180216547 /nfs/dbraw/zinc/21/65/47/180216547.db2.gz ZKEAFSRRUKHHLJ-BLLLJJGKSA-N 2 2 275.396 2.286 10 0 CEAELP CC[NH+](CC)CC[C@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000091715720 180232742 /nfs/dbraw/zinc/23/27/42/180232742.db2.gz MJNUGWGQQANNOX-AWEZNQCLSA-N 3 2 279.428 2.309 10 0 CEAELP C[NH2+][C@H](Cc1ccn(C2CCCCC2)n1)C[NH+](C)C ZINC000091719667 180234434 /nfs/dbraw/zinc/23/44/34/180234434.db2.gz VAPZTSVBGLRKEY-CQSZACIVSA-N 2 2 264.417 2.080 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721191 180237516 /nfs/dbraw/zinc/23/75/16/180237516.db2.gz HMSNNWDSCFTADV-BZUAXINKSA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1ccc(C)cc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721191 180237517 /nfs/dbraw/zinc/23/75/17/180237517.db2.gz HMSNNWDSCFTADV-BZUAXINKSA-N 2 2 260.381 2.119 10 0 CEAELP CC[NH2+][C@H](Cc1cccs1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721767 180238602 /nfs/dbraw/zinc/23/86/02/180238602.db2.gz UYAOKSKROOUXIB-BPLDGKMQSA-N 2 2 280.437 2.132 10 0 CEAELP CC[NH2+][C@H](Cc1cccs1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721767 180238604 /nfs/dbraw/zinc/23/86/04/180238604.db2.gz UYAOKSKROOUXIB-BPLDGKMQSA-N 2 2 280.437 2.132 10 0 CEAELP C[NH2+][C@H](c1cc(F)ccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721359 180238752 /nfs/dbraw/zinc/23/87/52/180238752.db2.gz HSKDOPKYWQTBRB-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1cc(F)ccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721359 180238754 /nfs/dbraw/zinc/23/87/54/180238754.db2.gz HSKDOPKYWQTBRB-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1CCC[NH2+]C(C)(C)C ZINC000091723660 180241479 /nfs/dbraw/zinc/24/14/79/180241479.db2.gz AJGLLISIWDIRRP-UHFFFAOYSA-N 2 2 278.444 2.476 10 0 CEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2ccc(F)cc2s1 ZINC000091939600 180289109 /nfs/dbraw/zinc/28/91/09/180289109.db2.gz CMRWMGWKHBVUER-VIFPVBQESA-N 2 2 262.313 2.401 10 0 CEAELP [NH3+][C@@H](Cc1c[nH]c[nH+]1)c1nc2ccc(F)cc2s1 ZINC000091939600 180289110 /nfs/dbraw/zinc/28/91/10/180289110.db2.gz CMRWMGWKHBVUER-VIFPVBQESA-N 2 2 262.313 2.401 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2O)n1-c1ccccc1 ZINC000092129194 180330055 /nfs/dbraw/zinc/33/00/55/180330055.db2.gz BZDILXPMAPFPIB-RHSMWYFYSA-N 2 2 285.391 2.431 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](CC)[C@@H](C)COC)c1 ZINC000092418345 180380797 /nfs/dbraw/zinc/38/07/97/180380797.db2.gz JHDCUAPDXKRBOY-LBPRGKRZSA-N 2 2 251.374 2.370 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](CC)[C@@H](C)COC)c1 ZINC000092418345 180380799 /nfs/dbraw/zinc/38/07/99/180380799.db2.gz JHDCUAPDXKRBOY-LBPRGKRZSA-N 2 2 251.374 2.370 10 0 CEAELP CNc1cc[nH+]c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1 ZINC000092419295 180382374 /nfs/dbraw/zinc/38/23/74/180382374.db2.gz NPSOWPKMSOZBMI-QWRGUYRKSA-N 2 2 251.399 2.449 10 0 CEAELP COc1cccc(-c2cn3c([nH+]2)[C@@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827677 186194741 /nfs/dbraw/zinc/19/47/41/186194741.db2.gz QAPNXILXFLRADG-CMPLNLGQSA-N 2 2 257.337 2.393 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+](C)CCC[NH+](C)C ZINC000111150450 186361143 /nfs/dbraw/zinc/36/11/43/186361143.db2.gz GCJPIPJJBHKYOK-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150450 186361144 /nfs/dbraw/zinc/36/11/44/186361144.db2.gz GCJPIPJJBHKYOK-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP CCOCC[N@H+](CC)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000111118222 186355604 /nfs/dbraw/zinc/35/56/04/186355604.db2.gz NOLQTRGIDWDZLG-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000111118222 186355605 /nfs/dbraw/zinc/35/56/05/186355605.db2.gz NOLQTRGIDWDZLG-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP C[NH+](C)CCC[N@H+](C)Cc1cc2ccccc2nc1N ZINC000111146200 186358434 /nfs/dbraw/zinc/35/84/34/186358434.db2.gz GVWYBMIKDWFSAP-UHFFFAOYSA-N 2 2 272.396 2.201 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccccc2nc1N ZINC000111146200 186358436 /nfs/dbraw/zinc/35/84/36/186358436.db2.gz GVWYBMIKDWFSAP-UHFFFAOYSA-N 2 2 272.396 2.201 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@H+](C)CCC[NH+](C)C ZINC000111147943 186359570 /nfs/dbraw/zinc/35/95/70/186359570.db2.gz TXSHPXFMVZUKIX-UHFFFAOYSA-N 3 2 257.466 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000111147943 186359572 /nfs/dbraw/zinc/35/95/72/186359572.db2.gz TXSHPXFMVZUKIX-UHFFFAOYSA-N 3 2 257.466 2.286 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+]C2C3CC4CC(C3)CC2C4)n1C ZINC000070143327 363035013 /nfs/dbraw/zinc/03/50/13/363035013.db2.gz SSRRIDSWCLZQKK-UHFFFAOYSA-N 2 2 288.439 2.400 10 0 CEAELP Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456263 363085114 /nfs/dbraw/zinc/08/51/14/363085114.db2.gz WNZOMNDVLNACFA-CYBMUJFWSA-N 2 2 283.379 2.259 10 0 CEAELP CCc1ccc(C[N@@H+]2C[C@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366205 351713626 /nfs/dbraw/zinc/71/36/26/351713626.db2.gz UICQINMPYMVRFK-HZPDHXFCSA-N 2 2 262.397 2.187 10 0 CEAELP CCc1ccc(C[N@H+]2C[C@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366205 351713629 /nfs/dbraw/zinc/71/36/29/351713629.db2.gz UICQINMPYMVRFK-HZPDHXFCSA-N 2 2 262.397 2.187 10 0 CEAELP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233058028 283290184 /nfs/dbraw/zinc/29/01/84/283290184.db2.gz XVAPZIVIBMHUKH-KBPBESRZSA-N 2 2 270.417 2.040 10 0 CEAELP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233058028 283290187 /nfs/dbraw/zinc/29/01/87/283290187.db2.gz XVAPZIVIBMHUKH-KBPBESRZSA-N 2 2 270.417 2.040 10 0 CEAELP CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247015690 535428754 /nfs/dbraw/zinc/42/87/54/535428754.db2.gz CKRRZSMBIRKNET-CHWSQXEVSA-N 2 2 279.384 2.034 10 0 CEAELP CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247015690 535428760 /nfs/dbraw/zinc/42/87/60/535428760.db2.gz CKRRZSMBIRKNET-CHWSQXEVSA-N 2 2 279.384 2.034 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000182135224 189314904 /nfs/dbraw/zinc/31/49/04/189314904.db2.gz OHMLTSWYPJCXCT-UONOGXRCSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000182135224 189314905 /nfs/dbraw/zinc/31/49/05/189314905.db2.gz OHMLTSWYPJCXCT-UONOGXRCSA-N 2 2 288.395 2.481 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000095071154 364330784 /nfs/dbraw/zinc/33/07/84/364330784.db2.gz GPNVZZQKVJDJFX-SECBINFHSA-N 2 2 259.806 2.228 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000095071154 364330786 /nfs/dbraw/zinc/33/07/86/364330786.db2.gz GPNVZZQKVJDJFX-SECBINFHSA-N 2 2 259.806 2.228 10 0 CEAELP CC[NH2+][C@@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091382 364337719 /nfs/dbraw/zinc/33/77/19/364337719.db2.gz NCKSHUQDCDWBCF-DLBZAZTESA-N 2 2 276.424 2.402 10 0 CEAELP CC[NH2+][C@@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095091382 364337729 /nfs/dbraw/zinc/33/77/29/364337729.db2.gz NCKSHUQDCDWBCF-DLBZAZTESA-N 2 2 276.424 2.402 10 0 CEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCC2(C1)CC[NH2+]CC2 ZINC000335294217 364679541 /nfs/dbraw/zinc/67/95/41/364679541.db2.gz CIHOMJCZKSEXFT-UHFFFAOYSA-N 2 2 288.370 2.292 10 0 CEAELP CCSCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000119188229 365232035 /nfs/dbraw/zinc/23/20/35/365232035.db2.gz TXVVVWLTNMOXGB-UHFFFAOYSA-N 2 2 296.484 2.032 10 0 CEAELP CCSCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000119188229 365232041 /nfs/dbraw/zinc/23/20/41/365232041.db2.gz TXVVVWLTNMOXGB-UHFFFAOYSA-N 2 2 296.484 2.032 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779044 367942996 /nfs/dbraw/zinc/94/29/96/367942996.db2.gz AAGSHQIDJUBZII-ZIAGYGMSSA-N 2 2 291.395 2.157 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779044 367943003 /nfs/dbraw/zinc/94/30/03/367943003.db2.gz AAGSHQIDJUBZII-ZIAGYGMSSA-N 2 2 291.395 2.157 10 0 CEAELP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173778820 367943700 /nfs/dbraw/zinc/94/37/00/367943700.db2.gz IOAPRLJPKBDOEH-AWEZNQCLSA-N 2 2 291.395 2.157 10 0 CEAELP COC(=O)C1CCC([NH2+][C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000192441770 369813496 /nfs/dbraw/zinc/81/34/96/369813496.db2.gz UXLGSVXPGUOTFB-YMAMQOFZSA-N 2 2 284.444 2.284 10 0 CEAELP C[N@H+](Cc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231671051 370486707 /nfs/dbraw/zinc/48/67/07/370486707.db2.gz NCYQQZSUZLGNGV-AWEZNQCLSA-N 2 2 286.379 2.311 10 0 CEAELP C[N@@H+](Cc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231671051 370486716 /nfs/dbraw/zinc/48/67/16/370486716.db2.gz NCYQQZSUZLGNGV-AWEZNQCLSA-N 2 2 286.379 2.311 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)C1 ZINC000639266237 371166072 /nfs/dbraw/zinc/16/60/72/371166072.db2.gz JOYTVGGTAUUSMS-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)C1 ZINC000639266237 371166073 /nfs/dbraw/zinc/16/60/73/371166073.db2.gz JOYTVGGTAUUSMS-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000248411605 371188869 /nfs/dbraw/zinc/18/88/69/371188869.db2.gz IIFWPGGXERWQJS-CABCVRRESA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000248411605 371188872 /nfs/dbraw/zinc/18/88/72/371188872.db2.gz IIFWPGGXERWQJS-CABCVRRESA-N 2 2 284.407 2.393 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1sccc1Br ZINC000252721207 371472352 /nfs/dbraw/zinc/47/23/52/371472352.db2.gz NBMKBZCHEUOFEM-CBAPKCEASA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1sccc1Br ZINC000252721207 371472356 /nfs/dbraw/zinc/47/23/56/371472356.db2.gz NBMKBZCHEUOFEM-CBAPKCEASA-N 2 2 275.215 2.462 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc3ccccc3n2)CC1 ZINC000259288497 371625234 /nfs/dbraw/zinc/62/52/34/371625234.db2.gz FRRNGTVNXALGDX-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]12 ZINC000261577954 371659197 /nfs/dbraw/zinc/65/91/97/371659197.db2.gz CZTKJRXKLSKJNJ-OUJBWJOFSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)c(F)c3)C[C@H]12 ZINC000261577954 371659200 /nfs/dbraw/zinc/65/92/00/371659200.db2.gz CZTKJRXKLSKJNJ-OUJBWJOFSA-N 2 2 270.298 2.273 10 0 CEAELP CC(C)C[C@H]1CCCCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261785557 371732437 /nfs/dbraw/zinc/73/24/37/371732437.db2.gz PTRMKAMUKDXVLL-GFCCVEGCSA-N 2 2 266.389 2.319 10 0 CEAELP CC(C)C[C@H]1CCCCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261785557 371732439 /nfs/dbraw/zinc/73/24/39/371732439.db2.gz PTRMKAMUKDXVLL-GFCCVEGCSA-N 2 2 266.389 2.319 10 0 CEAELP Cc1ccc([C@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261642948 371688169 /nfs/dbraw/zinc/68/81/69/371688169.db2.gz FRURKZMOQFUAFM-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1ccc([C@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)cc1 ZINC000261642948 371688178 /nfs/dbraw/zinc/68/81/78/371688178.db2.gz FRURKZMOQFUAFM-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP CC(C)(C)c1ccc(OCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000262287905 371847675 /nfs/dbraw/zinc/84/76/75/371847675.db2.gz ZVDQMPKGEIBYFJ-AWEZNQCLSA-N 2 2 262.397 2.314 10 0 CEAELP C[C@H]1C[N@H+](Cc2noc(C[NH3+])n2)CC[C@@H]1c1ccccc1 ZINC000262185033 371836200 /nfs/dbraw/zinc/83/62/00/371836200.db2.gz JDKAMJSCWWYDGQ-JSGCOSHPSA-N 2 2 286.379 2.154 10 0 CEAELP C[C@H]1C[N@@H+](Cc2noc(C[NH3+])n2)CC[C@@H]1c1ccccc1 ZINC000262185033 371836209 /nfs/dbraw/zinc/83/62/09/371836209.db2.gz JDKAMJSCWWYDGQ-JSGCOSHPSA-N 2 2 286.379 2.154 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)Cc1ccc(F)cc1 ZINC000094145227 184756409 /nfs/dbraw/zinc/75/64/09/184756409.db2.gz NUEOLQGWHKKGHB-CQSZACIVSA-N 2 2 261.344 2.323 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000094370391 184789983 /nfs/dbraw/zinc/78/99/83/184789983.db2.gz DEDPHVRDXLAYNZ-JKSUJKDBSA-N 2 2 298.471 2.281 10 0 CEAELP CC[N@H+](Cc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094969977 184908680 /nfs/dbraw/zinc/90/86/80/184908680.db2.gz DLKOBORLHFRQKT-FOSCPWQOSA-N 2 2 251.399 2.248 10 0 CEAELP CC[N@@H+](Cc1nccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094969977 184908681 /nfs/dbraw/zinc/90/86/81/184908681.db2.gz DLKOBORLHFRQKT-FOSCPWQOSA-N 2 2 251.399 2.248 10 0 CEAELP CC(C)C[C@](C)(O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090270462 135063019 /nfs/dbraw/zinc/06/30/19/135063019.db2.gz XIBGZMXEBCMDDU-KRWDZBQOSA-N 2 2 291.439 2.437 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221046 135079585 /nfs/dbraw/zinc/07/95/85/135079585.db2.gz GWYNLDIHVTWIRB-CHWSQXEVSA-N 2 2 279.815 2.342 10 0 CEAELP Cc1cc(C)c(CO)c(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)[nH+]1 ZINC000094440244 135087785 /nfs/dbraw/zinc/08/77/85/135087785.db2.gz QNCBPOWSERDGRR-LSDHHAIUSA-N 2 2 289.423 2.254 10 0 CEAELP Cc1cc(C)c(CO)c(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)[nH+]1 ZINC000094440244 135087787 /nfs/dbraw/zinc/08/77/87/135087787.db2.gz QNCBPOWSERDGRR-LSDHHAIUSA-N 2 2 289.423 2.254 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C1(C)C ZINC000223442177 153317263 /nfs/dbraw/zinc/31/72/63/153317263.db2.gz GXHIUYHMCXDKLT-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1(C)C ZINC000223442177 153317266 /nfs/dbraw/zinc/31/72/66/153317266.db2.gz GXHIUYHMCXDKLT-HZSPNIEDSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)C12CCOCC2 ZINC000186230129 286386581 /nfs/dbraw/zinc/38/65/81/286386581.db2.gz VAKVSHNZSWGLCD-JKSUJKDBSA-N 2 2 296.455 2.036 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C12CCOCC2 ZINC000248991323 286388970 /nfs/dbraw/zinc/38/89/70/286388970.db2.gz LDMACCLWVDYODW-HRCADAONSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248991323 286388973 /nfs/dbraw/zinc/38/89/73/286388973.db2.gz LDMACCLWVDYODW-HRCADAONSA-N 2 2 296.455 2.035 10 0 CEAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C ZINC000176922179 165178662 /nfs/dbraw/zinc/17/86/62/165178662.db2.gz ZEPCCAAMOKBMSK-LBPRGKRZSA-N 2 2 283.803 2.282 10 0 CEAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2Cl)C[C@@H]1C ZINC000176922179 165178666 /nfs/dbraw/zinc/17/86/66/165178666.db2.gz ZEPCCAAMOKBMSK-LBPRGKRZSA-N 2 2 283.803 2.282 10 0 CEAELP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303467 171140330 /nfs/dbraw/zinc/14/03/30/171140330.db2.gz PJBDCMUESFMDMC-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)C2)cc1 ZINC000020303467 171140333 /nfs/dbraw/zinc/14/03/33/171140333.db2.gz PJBDCMUESFMDMC-SFHVURJKSA-N 2 2 281.403 2.488 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000037174478 173009041 /nfs/dbraw/zinc/00/90/41/173009041.db2.gz KYSUHDLZXRJXAR-ZIAGYGMSSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)c1 ZINC000037174478 173009043 /nfs/dbraw/zinc/00/90/43/173009043.db2.gz KYSUHDLZXRJXAR-ZIAGYGMSSA-N 2 2 250.411 2.432 10 0 CEAELP NC(=[NH2+])c1cc(C(F)(F)F)ccc1-n1cc[nH+]c1 ZINC000037334643 173135535 /nfs/dbraw/zinc/13/55/35/173135535.db2.gz SOMLYQHTNHXFED-UHFFFAOYSA-N 2 2 254.215 2.175 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087975 174100755 /nfs/dbraw/zinc/10/07/55/174100755.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 3 2 255.450 2.037 10 0 CEAELP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087975 174100756 /nfs/dbraw/zinc/10/07/56/174100756.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038087985 174100906 /nfs/dbraw/zinc/10/09/06/174100906.db2.gz YIQPIAQCEDFNES-ZIAGYGMSSA-N 3 2 255.450 2.037 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCOc2ccccc21 ZINC000040638880 174362836 /nfs/dbraw/zinc/36/28/36/174362836.db2.gz GMKIMTJTCZTQCE-ZDUSSCGKSA-N 2 2 257.337 2.076 10 0 CEAELP Cc1nc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)cs1 ZINC000040639109 174363773 /nfs/dbraw/zinc/36/37/73/174363773.db2.gz UQRTUUYSRFYZOF-SECBINFHSA-N 2 2 250.371 2.078 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000040671516 174369938 /nfs/dbraw/zinc/36/99/38/174369938.db2.gz KDJGXOJDFHDAGK-ROUUACIJSA-N 2 2 288.435 2.462 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@H]([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000040671516 174369940 /nfs/dbraw/zinc/36/99/40/174369940.db2.gz KDJGXOJDFHDAGK-ROUUACIJSA-N 2 2 288.435 2.462 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000401793440 414753055 /nfs/dbraw/zinc/75/30/55/414753055.db2.gz DDEKQYJBSPNSRD-OBJOEFQTSA-N 2 2 278.396 2.352 10 0 CEAELP Cc1[nH+]cc(CN[C@@H](C[NH+](C)C)c2ccccc2)n1C ZINC000657298475 414842183 /nfs/dbraw/zinc/84/21/83/414842183.db2.gz VLYJAJRZNKZKNN-INIZCTEOSA-N 2 2 272.396 2.121 10 0 CEAELP Cc1nc([C@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cs1 ZINC000657354725 414878615 /nfs/dbraw/zinc/87/86/15/414878615.db2.gz YILOLRWKLRBEMH-QMMMGPOBSA-N 2 2 250.371 2.344 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](C)[C@@H]1CCSC1 ZINC000043334780 175010337 /nfs/dbraw/zinc/01/03/37/175010337.db2.gz SHEZONRLMGZJEB-NTZNESFSSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043334780 175010338 /nfs/dbraw/zinc/01/03/38/175010338.db2.gz SHEZONRLMGZJEB-NTZNESFSSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)C1CCOCC1 ZINC000043335322 175011340 /nfs/dbraw/zinc/01/13/40/175011340.db2.gz IONNMBRBOIJUHZ-OCCSQVGLSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)C1CCOCC1 ZINC000043335322 175011341 /nfs/dbraw/zinc/01/13/41/175011341.db2.gz IONNMBRBOIJUHZ-OCCSQVGLSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043335943 175011659 /nfs/dbraw/zinc/01/16/59/175011659.db2.gz PPZNCLRGAZBDOL-HOCLYGCPSA-N 3 2 279.428 2.332 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348306 175018426 /nfs/dbraw/zinc/01/84/26/175018426.db2.gz ABNDCHLLZPWCMG-HZPDHXFCSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348306 175018427 /nfs/dbraw/zinc/01/84/27/175018427.db2.gz ABNDCHLLZPWCMG-HZPDHXFCSA-N 2 2 279.428 2.343 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348317 175018533 /nfs/dbraw/zinc/01/85/33/175018533.db2.gz RAZDGZOPJPFQHL-DLBZAZTESA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348317 175018535 /nfs/dbraw/zinc/01/85/35/175018535.db2.gz RAZDGZOPJPFQHL-DLBZAZTESA-N 2 2 291.439 2.487 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348316 175018827 /nfs/dbraw/zinc/01/88/27/175018827.db2.gz MCRYEQSIWNHFHP-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348316 175018828 /nfs/dbraw/zinc/01/88/28/175018828.db2.gz MCRYEQSIWNHFHP-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccncc2)[C@@H]([NH3+])CC)CC1 ZINC000043353917 175020992 /nfs/dbraw/zinc/02/09/92/175020992.db2.gz PPTDEYGQGTXSEL-HOTGVXAUSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](C)C1CCOCC1 ZINC000043364465 175025263 /nfs/dbraw/zinc/02/52/63/175025263.db2.gz YWRCEUFKVPPQKT-UKRRQHHQSA-N 2 2 266.385 2.477 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](C)C1CCOCC1 ZINC000043364465 175025265 /nfs/dbraw/zinc/02/52/65/175025265.db2.gz YWRCEUFKVPPQKT-UKRRQHHQSA-N 2 2 266.385 2.477 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H](CC)C1)OCCO2 ZINC000043896782 175119228 /nfs/dbraw/zinc/11/92/28/175119228.db2.gz BMWULWQANLILGZ-OWCLPIDISA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[N@H+]1CCC[C@@H](CC)C1)OCCO2 ZINC000043896782 175119229 /nfs/dbraw/zinc/11/92/29/175119229.db2.gz BMWULWQANLILGZ-OWCLPIDISA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898351 175121571 /nfs/dbraw/zinc/12/15/71/175121571.db2.gz OSAJRWUXDROQBR-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898351 175121572 /nfs/dbraw/zinc/12/15/72/175121572.db2.gz OSAJRWUXDROQBR-CFVMTHIKSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H]([C@H]([NH2+]C)c1ccccc1)[NH+](CCOC)CCOC ZINC000043912613 175124495 /nfs/dbraw/zinc/12/44/95/175124495.db2.gz NMMALRXACVVSDY-IAGOWNOFSA-N 2 2 294.439 2.321 10 0 CEAELP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[NH+](CCOC)CCOC ZINC000043912878 175124683 /nfs/dbraw/zinc/12/46/83/175124683.db2.gz FTYPEMFICHGHLH-XHSDSOJGSA-N 2 2 286.460 2.138 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966369 175127865 /nfs/dbraw/zinc/12/78/65/175127865.db2.gz RKDHHLAGFRFJOX-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966369 175127866 /nfs/dbraw/zinc/12/78/66/175127866.db2.gz RKDHHLAGFRFJOX-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966306 175127882 /nfs/dbraw/zinc/12/78/82/175127882.db2.gz KSFZIOVEZWEBNB-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966306 175127883 /nfs/dbraw/zinc/12/78/83/175127883.db2.gz KSFZIOVEZWEBNB-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969609 175130666 /nfs/dbraw/zinc/13/06/66/175130666.db2.gz SKGFLPCKFQMCRY-BBRMVZONSA-N 2 2 262.397 2.446 10 0 CEAELP C[NH2+][C@H](c1ccccc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969609 175130667 /nfs/dbraw/zinc/13/06/67/175130667.db2.gz SKGFLPCKFQMCRY-BBRMVZONSA-N 2 2 262.397 2.446 10 0 CEAELP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971224 175132956 /nfs/dbraw/zinc/13/29/56/175132956.db2.gz FVLRVXWYBINVEN-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H]2[NH2+]CC)C1 ZINC000043971224 175132957 /nfs/dbraw/zinc/13/29/57/175132957.db2.gz FVLRVXWYBINVEN-QLFBSQMISA-N 2 2 254.418 2.408 10 0 CEAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000658059724 415181660 /nfs/dbraw/zinc/18/16/60/415181660.db2.gz WTZHXXQYBVOIAA-IGQOVBAYSA-N 2 2 266.429 2.262 10 0 CEAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000658059724 415181665 /nfs/dbraw/zinc/18/16/65/415181665.db2.gz WTZHXXQYBVOIAA-IGQOVBAYSA-N 2 2 266.429 2.262 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747471 175242971 /nfs/dbraw/zinc/24/29/71/175242971.db2.gz BYEWHVNPAKLHPG-CZUORRHYSA-N 2 2 260.381 2.453 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747471 175242972 /nfs/dbraw/zinc/24/29/72/175242972.db2.gz BYEWHVNPAKLHPG-CZUORRHYSA-N 2 2 260.381 2.453 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+](C)Cc1ccccc1F ZINC000045043392 175294737 /nfs/dbraw/zinc/29/47/37/175294737.db2.gz ZIQHHBFEXMNXBY-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+](C)Cc1ccccc1F ZINC000045043392 175294738 /nfs/dbraw/zinc/29/47/38/175294738.db2.gz ZIQHHBFEXMNXBY-CQSZACIVSA-N 2 2 254.349 2.011 10 0 CEAELP CC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(=O)OC ZINC000045374807 175365806 /nfs/dbraw/zinc/36/58/06/175365806.db2.gz WHJMGZMLOUEQJX-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376139 175366085 /nfs/dbraw/zinc/36/60/85/175366085.db2.gz MUXPHSCRXBIDQS-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C ZINC000045376139 175366087 /nfs/dbraw/zinc/36/60/87/175366087.db2.gz MUXPHSCRXBIDQS-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@@](C)(CO)CCCn1c(C)[nH+]c2ccccc21 ZINC000070515874 175965137 /nfs/dbraw/zinc/96/51/37/175965137.db2.gz MEXIKGRCQNDKJX-MRXNPFEDSA-N 2 2 275.396 2.485 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162685 176046587 /nfs/dbraw/zinc/04/65/87/176046587.db2.gz UKSLZGMGHSDCCG-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162685 176046589 /nfs/dbraw/zinc/04/65/89/176046589.db2.gz UKSLZGMGHSDCCG-HOCLYGCPSA-N 2 2 282.428 2.184 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191319 176069939 /nfs/dbraw/zinc/06/99/39/176069939.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191319 176069941 /nfs/dbraw/zinc/06/99/41/176069941.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191319 176069942 /nfs/dbraw/zinc/06/99/42/176069942.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191319 176069943 /nfs/dbraw/zinc/06/99/43/176069943.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 3 2 281.488 2.284 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000071198239 176077240 /nfs/dbraw/zinc/07/72/40/176077240.db2.gz JHJZNOWWTQEOLK-HNNXBMFYSA-N 2 2 292.423 2.320 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000071198239 176077241 /nfs/dbraw/zinc/07/72/41/176077241.db2.gz JHJZNOWWTQEOLK-HNNXBMFYSA-N 2 2 292.423 2.320 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@@](C)([NH3+])c1ccccc1 ZINC000071213769 176085415 /nfs/dbraw/zinc/08/54/15/176085415.db2.gz KYTJWEOOISCXGU-CQSZACIVSA-N 2 2 261.394 2.415 10 0 CEAELP CC[N@H+](CCOc1cc(C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071313924 176120578 /nfs/dbraw/zinc/12/05/78/176120578.db2.gz ANHCPVMIXQQYKN-OAHLLOKOSA-N 2 2 262.397 2.366 10 0 CEAELP CC[N@@H+](CCOc1cc(C)ccc1C)[C@@H]1CC[NH2+]C1 ZINC000071313924 176120580 /nfs/dbraw/zinc/12/05/80/176120580.db2.gz ANHCPVMIXQQYKN-OAHLLOKOSA-N 2 2 262.397 2.366 10 0 CEAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)o1 ZINC000133588320 419431969 /nfs/dbraw/zinc/43/19/69/419431969.db2.gz FSTFFAXBTCQPES-WCFLWFBJSA-N 2 2 252.358 2.006 10 0 CEAELP C[C@@H]([NH3+])[C@@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000127333768 278314182 /nfs/dbraw/zinc/31/41/82/278314182.db2.gz SPTOQSWFABEDAH-RKDXNWHRSA-N 2 2 259.275 2.274 10 0 CEAELP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261743681 280017293 /nfs/dbraw/zinc/01/72/93/280017293.db2.gz MVLDCBSHAYLNMD-JQWIXIFHSA-N 2 2 290.342 2.045 10 0 CEAELP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261743681 280017295 /nfs/dbraw/zinc/01/72/95/280017295.db2.gz MVLDCBSHAYLNMD-JQWIXIFHSA-N 2 2 290.342 2.045 10 0 CEAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccc2c(c1)OCO2 ZINC000396633484 280675046 /nfs/dbraw/zinc/67/50/46/280675046.db2.gz MPMMBDKANNIIDD-GMXVVIOVSA-N 2 2 262.353 2.206 10 0 CEAELP Cc1[nH+]c2ccccc2c(NC[C@H]2CN3CC[NH+]2CC3)c1C ZINC000302098758 282075442 /nfs/dbraw/zinc/07/54/42/282075442.db2.gz UDQHZHRNPWVZCM-HNNXBMFYSA-N 2 2 296.418 2.263 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842129 294190529 /nfs/dbraw/zinc/19/05/29/294190529.db2.gz CLMAELFXFBXVLJ-AVGNSLFASA-N 2 2 270.380 2.137 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476454 519973230 /nfs/dbraw/zinc/97/32/30/519973230.db2.gz TUCBKWAMNHTDPI-STQMWFEESA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476454 519973249 /nfs/dbraw/zinc/97/32/49/519973249.db2.gz TUCBKWAMNHTDPI-STQMWFEESA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+](CC)[C@@H](C)COC)cs1 ZINC000052504649 520021380 /nfs/dbraw/zinc/02/13/80/520021380.db2.gz OHSSSGHNAQRNSL-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+](CC)[C@@H](C)COC)cs1 ZINC000052504649 520021388 /nfs/dbraw/zinc/02/13/88/520021388.db2.gz OHSSSGHNAQRNSL-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476362 519958808 /nfs/dbraw/zinc/95/88/08/519958808.db2.gz FZQYLFQFJQPUPL-STQMWFEESA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476362 519958819 /nfs/dbraw/zinc/95/88/19/519958819.db2.gz FZQYLFQFJQPUPL-STQMWFEESA-N 2 2 266.385 2.388 10 0 CEAELP CCCNc1ncccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052717063 520193603 /nfs/dbraw/zinc/19/36/03/520193603.db2.gz BFBHWNPKILEDJZ-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCCNc1ncccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052717063 520193611 /nfs/dbraw/zinc/19/36/11/520193611.db2.gz BFBHWNPKILEDJZ-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C(C)(C)CC)OCCO2 ZINC000069431380 520212180 /nfs/dbraw/zinc/21/21/80/520212180.db2.gz KYWUEBCWXBWCJS-KBPBESRZSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C(C)(C)CC)OCCO2 ZINC000069431380 520212187 /nfs/dbraw/zinc/21/21/87/520212187.db2.gz KYWUEBCWXBWCJS-KBPBESRZSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@](Cn1cc[nH+]c1C(C)C)(C(=O)OCC)C1CC1 ZINC000069191723 520253331 /nfs/dbraw/zinc/25/33/31/520253331.db2.gz NNAXBOBRGOUVEN-INIZCTEOSA-N 2 2 293.411 2.328 10 0 CEAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061362250 520736728 /nfs/dbraw/zinc/73/67/28/520736728.db2.gz VBXVYHCYIBFXHH-OCCSQVGLSA-N 2 2 282.453 2.418 10 0 CEAELP CC[N@H+](Cc1cccs1)Cc1ccc[nH+]c1NN ZINC000052721272 521410783 /nfs/dbraw/zinc/41/07/83/521410783.db2.gz YOIMWSUTYKXXNV-UHFFFAOYSA-N 2 2 262.382 2.451 10 0 CEAELP CC[N@@H+](Cc1cccs1)Cc1ccc[nH+]c1NN ZINC000052721272 521410788 /nfs/dbraw/zinc/41/07/88/521410788.db2.gz YOIMWSUTYKXXNV-UHFFFAOYSA-N 2 2 262.382 2.451 10 0 CEAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150107 521650601 /nfs/dbraw/zinc/65/06/01/521650601.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 3 2 267.461 2.181 10 0 CEAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150107 521650604 /nfs/dbraw/zinc/65/06/04/521650604.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 3 2 267.461 2.181 10 0 CEAELP C[NH2+]C[C@H]1Cc2ccccc2C[N@@H+]1CC1CCOCC1 ZINC000052173184 522097677 /nfs/dbraw/zinc/09/76/77/522097677.db2.gz JTZCHAZEGPVUFS-QGZVFWFLSA-N 2 2 274.408 2.059 10 0 CEAELP C[NH2+]C[C@H]1Cc2ccccc2C[N@H+]1CC1CCOCC1 ZINC000052173184 522097694 /nfs/dbraw/zinc/09/76/94/522097694.db2.gz JTZCHAZEGPVUFS-QGZVFWFLSA-N 2 2 274.408 2.059 10 0 CEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502647 522220780 /nfs/dbraw/zinc/22/07/80/522220780.db2.gz CEEYEYYHCDSPQD-WBMJQRKESA-N 2 2 273.380 2.201 10 0 CEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502647 522220790 /nfs/dbraw/zinc/22/07/90/522220790.db2.gz CEEYEYYHCDSPQD-WBMJQRKESA-N 2 2 273.380 2.201 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757385 522341440 /nfs/dbraw/zinc/34/14/40/522341440.db2.gz MBXZQGKVWSSZCA-RDBSUJKOSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@H]([NH3+])[C@H]([N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757385 522341445 /nfs/dbraw/zinc/34/14/45/522341445.db2.gz MBXZQGKVWSSZCA-RDBSUJKOSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757670 522653418 /nfs/dbraw/zinc/65/34/18/522653418.db2.gz PSNGPODLHDLNEG-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757670 522653427 /nfs/dbraw/zinc/65/34/27/522653427.db2.gz PSNGPODLHDLNEG-OAGGEKHMSA-N 2 2 277.412 2.097 10 0 CEAELP C[N@H+](Cc1cccs1)[C@]1(C[NH3+])CCCSC1 ZINC000061590035 523446753 /nfs/dbraw/zinc/44/67/53/523446753.db2.gz YFOYTTAWTDRFEF-LBPRGKRZSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@@H+](Cc1cccs1)[C@]1(C[NH3+])CCCSC1 ZINC000061590035 523446762 /nfs/dbraw/zinc/44/67/62/523446762.db2.gz YFOYTTAWTDRFEF-LBPRGKRZSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@H+](Cc1ccsc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761140 523487671 /nfs/dbraw/zinc/48/76/71/523487671.db2.gz NYMAMDJWWUAROQ-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP C[N@@H+](Cc1ccsc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761140 523487677 /nfs/dbraw/zinc/48/76/77/523487677.db2.gz NYMAMDJWWUAROQ-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571053 523507492 /nfs/dbraw/zinc/50/74/92/523507492.db2.gz ZUZDWXQIIPBKFR-NWDGAFQWSA-N 2 2 252.358 2.046 10 0 CEAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C)c(C[NH3+])o1 ZINC000052571053 523507500 /nfs/dbraw/zinc/50/75/00/523507500.db2.gz ZUZDWXQIIPBKFR-NWDGAFQWSA-N 2 2 252.358 2.046 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000068649042 523819276 /nfs/dbraw/zinc/81/92/76/523819276.db2.gz HJTJFRPLMGOKNG-WBMJQRKESA-N 2 2 287.363 2.392 10 0 CEAELP C[NH+](C)C1CC[NH+](Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052477618 524040081 /nfs/dbraw/zinc/04/00/81/524040081.db2.gz CJZJAUFVXHMQPF-UHFFFAOYSA-N 3 2 277.412 2.058 10 0 CEAELP C[C@H]1C[NH+](Cc2ccoc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380453 524639846 /nfs/dbraw/zinc/63/98/46/524639846.db2.gz QYLCBSZDBYFHPO-RYUDHWBXSA-N 2 2 264.369 2.141 10 0 CEAELP C[C@H](Cc1c(F)cccc1F)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054765054 524688459 /nfs/dbraw/zinc/68/84/59/524688459.db2.gz WFIWDIFZMUPDMO-SECBINFHSA-N 2 2 251.280 2.409 10 0 CEAELP C[C@@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2nccs2)CC1 ZINC000052417646 524734387 /nfs/dbraw/zinc/73/43/87/524734387.db2.gz ZZTNXIVFOOYZPA-ZDUSSCGKSA-N 2 2 296.484 2.289 10 0 CEAELP C[C@H](Cn1c[nH+]c2cc(N)ccc21)[NH+]1CCCCC1 ZINC000052855015 524797064 /nfs/dbraw/zinc/79/70/64/524797064.db2.gz UOGMWBXIUSNSHG-GFCCVEGCSA-N 2 2 258.369 2.493 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757512 525006731 /nfs/dbraw/zinc/00/67/31/525006731.db2.gz PPBOEZNGZUTKRD-BNOWGMLFSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757512 525006742 /nfs/dbraw/zinc/00/67/42/525006742.db2.gz PPBOEZNGZUTKRD-BNOWGMLFSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]1C[NH2+]CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000051017770 525088274 /nfs/dbraw/zinc/08/82/74/525088274.db2.gz HRKOOLUDYPJJLL-LLVKDONJSA-N 2 2 254.324 2.396 10 0 CEAELP C[C@@H]1C[NH2+]CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000051017770 525088283 /nfs/dbraw/zinc/08/82/83/525088283.db2.gz HRKOOLUDYPJJLL-LLVKDONJSA-N 2 2 254.324 2.396 10 0 CEAELP COc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757146 525380716 /nfs/dbraw/zinc/38/07/16/525380716.db2.gz DSXXHKQDBDWDAO-LXZKKBNFSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757146 525380721 /nfs/dbraw/zinc/38/07/21/525380721.db2.gz DSXXHKQDBDWDAO-LXZKKBNFSA-N 2 2 292.423 2.320 10 0 CEAELP Cc1nc[nH]c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000054793729 525459922 /nfs/dbraw/zinc/45/99/22/525459922.db2.gz JLEFWOBJQSWIFI-UHFFFAOYSA-N 2 2 284.407 2.472 10 0 CEAELP Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)Cn1cc[nH+]c1 ZINC000052855111 527123145 /nfs/dbraw/zinc/12/31/45/527123145.db2.gz RIFIJMDUNNNONR-JTQLQIEISA-N 2 2 255.325 2.385 10 0 CEAELP [NH3+]C[C@H](C1CCOCC1)[N@H+](Cc1ccsc1)C1CC1 ZINC000052177550 527225239 /nfs/dbraw/zinc/22/52/39/527225239.db2.gz AQMIXUHZEVCSSL-OAHLLOKOSA-N 2 2 280.437 2.466 10 0 CEAELP [NH3+]C[C@H](C1CCOCC1)[N@@H+](Cc1ccsc1)C1CC1 ZINC000052177550 527225242 /nfs/dbraw/zinc/22/52/42/527225242.db2.gz AQMIXUHZEVCSSL-OAHLLOKOSA-N 2 2 280.437 2.466 10 0 CEAELP [NH3+][C@H]1CCOC[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061819285 527411218 /nfs/dbraw/zinc/41/12/18/527411218.db2.gz WQZLCJDBKSXTAJ-UONOGXRCSA-N 2 2 252.402 2.149 10 0 CEAELP C[NH2+][C@@H]1CCN(CCCn2cc[nH+]c2)c2ccccc21 ZINC000071325677 536375521 /nfs/dbraw/zinc/37/55/21/536375521.db2.gz FPARNNDJTKIUFU-OAHLLOKOSA-N 2 2 270.380 2.444 10 0 CEAELP COc1cccc(N2CC[NH+]([C@@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000041121075 537124983 /nfs/dbraw/zinc/12/49/83/537124983.db2.gz ZJRDKVCZDGWMPW-INIZCTEOSA-N 2 2 291.439 2.191 10 0 CEAELP Cc1nn(C)c2sc([C@@H]3[NH2+][C@@H](C)CC[C@H]3[NH3+])cc12 ZINC000757215973 574513179 /nfs/dbraw/zinc/51/31/79/574513179.db2.gz ORLSVWDDLPEBGU-HNBZJPLGSA-N 2 2 264.398 2.084 10 0 CEAELP OC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC000083301229 178380403 /nfs/dbraw/zinc/38/04/03/178380403.db2.gz HMEPRNJLXKLLQK-DLBZAZTESA-N 2 2 274.408 2.328 10 0 CEAELP OC[C@@H](c1ccccc1)[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC000083301229 178380404 /nfs/dbraw/zinc/38/04/04/178380404.db2.gz HMEPRNJLXKLLQK-DLBZAZTESA-N 2 2 274.408 2.328 10 0 CEAELP C[NH2+][C@H](C[NH3+])c1ccc(Br)c(Cl)c1 ZINC000234447647 344584822 /nfs/dbraw/zinc/58/48/22/344584822.db2.gz AJGJVXWOHUTHPP-SECBINFHSA-N 2 2 263.566 2.322 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639483 344757093 /nfs/dbraw/zinc/75/70/93/344757093.db2.gz POEWTFPGSZKVRE-ZNMIVQPWSA-N 2 2 277.437 2.170 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCSC2)[C@@H]1c1cccnc1 ZINC000328639483 344757094 /nfs/dbraw/zinc/75/70/94/344757094.db2.gz POEWTFPGSZKVRE-ZNMIVQPWSA-N 2 2 277.437 2.170 10 0 CEAELP CC[N@H+](CCC[C@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303526 179011398 /nfs/dbraw/zinc/01/13/98/179011398.db2.gz SXTQPYZUYHQXHV-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303526 179011399 /nfs/dbraw/zinc/01/13/99/179011399.db2.gz SXTQPYZUYHQXHV-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP C[C@@](O)(C[NH3+])CCCn1cc[nH+]c1-c1ccccc1 ZINC000085304777 179011938 /nfs/dbraw/zinc/01/19/38/179011938.db2.gz KALYPJGMQHJUHI-HNNXBMFYSA-N 2 2 259.353 2.040 10 0 CEAELP C[C@@H](C[C@](C)(O)C[NH3+])n1cc[nH+]c1-c1ccccc1 ZINC000085304756 179011987 /nfs/dbraw/zinc/01/19/87/179011987.db2.gz GBNUOAOQBLTAQS-WFASDCNBSA-N 2 2 259.353 2.211 10 0 CEAELP C[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085509639 179085697 /nfs/dbraw/zinc/08/56/97/179085697.db2.gz VWBQNEJCRONINN-DYVFJYSZSA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCOC ZINC000085498213 179083036 /nfs/dbraw/zinc/08/30/36/179083036.db2.gz SMPHGPFWPVZIGK-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCOC ZINC000085498213 179083037 /nfs/dbraw/zinc/08/30/37/179083037.db2.gz SMPHGPFWPVZIGK-KGLIPLIRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085522951 179088955 /nfs/dbraw/zinc/08/89/55/179088955.db2.gz GVQXRBYPMOACTO-HOTGVXAUSA-N 2 2 284.407 2.297 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623715 179106531 /nfs/dbraw/zinc/10/65/31/179106531.db2.gz UQGYHICKJGNDLQ-GUYCJALGSA-N 2 2 289.423 2.443 10 0 CEAELP COc1cccc(C[N@H+]2C[C@@](C)(C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085623715 179106534 /nfs/dbraw/zinc/10/65/34/179106534.db2.gz UQGYHICKJGNDLQ-GUYCJALGSA-N 2 2 289.423 2.443 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C)C2)cc1F ZINC000085610283 179101440 /nfs/dbraw/zinc/10/14/40/179101440.db2.gz OJNQQZZXPSWPEY-LLVKDONJSA-N 2 2 252.333 2.018 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C)C2)cc1F ZINC000085610283 179101441 /nfs/dbraw/zinc/10/14/41/179101441.db2.gz OJNQQZZXPSWPEY-LLVKDONJSA-N 2 2 252.333 2.018 10 0 CEAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000085622315 179105271 /nfs/dbraw/zinc/10/52/71/179105271.db2.gz RCSXZDQWTUWTIF-ZDUSSCGKSA-N 2 2 255.365 2.419 10 0 CEAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc2ccccc2n1 ZINC000085622315 179105272 /nfs/dbraw/zinc/10/52/72/179105272.db2.gz RCSXZDQWTUWTIF-ZDUSSCGKSA-N 2 2 255.365 2.419 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621888 179105433 /nfs/dbraw/zinc/10/54/33/179105433.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 3 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621888 179105434 /nfs/dbraw/zinc/10/54/34/179105434.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 3 2 278.444 2.290 10 0 CEAELP CCC[NH2+][C@H](CCO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000085922607 179201089 /nfs/dbraw/zinc/20/10/89/179201089.db2.gz RVOVKLWHEPSRBU-OAHLLOKOSA-N 2 2 270.461 2.495 10 0 CEAELP CCC1(CC)CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264873 179261314 /nfs/dbraw/zinc/26/13/14/179261314.db2.gz GJJJHUONUWTGCI-AWEZNQCLSA-N 2 2 278.444 2.409 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@H](CC(C)C)C2)CC1 ZINC000086291493 179266424 /nfs/dbraw/zinc/26/64/24/179266424.db2.gz GYOIIMWWNGSTKD-QGZVFWFLSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@H](CC(C)C)C2)CC1 ZINC000086291493 179266425 /nfs/dbraw/zinc/26/64/25/179266425.db2.gz GYOIIMWWNGSTKD-QGZVFWFLSA-N 3 2 281.488 2.428 10 0 CEAELP CCC1(CC)C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292520 179266577 /nfs/dbraw/zinc/26/65/77/179266577.db2.gz SEFNFBOMMHFBNF-AWEZNQCLSA-N 2 2 254.418 2.267 10 0 CEAELP CCC1(CC)C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292520 179266578 /nfs/dbraw/zinc/26/65/78/179266578.db2.gz SEFNFBOMMHFBNF-AWEZNQCLSA-N 2 2 254.418 2.267 10 0 CEAELP Cc1nccc(C[N@@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000086292605 179266879 /nfs/dbraw/zinc/26/68/79/179266879.db2.gz PMNDOIHAUFOMHE-QGZVFWFLSA-N 2 2 282.391 2.322 10 0 CEAELP Cc1nccc(C[N@H+]2CCC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000086292605 179266881 /nfs/dbraw/zinc/26/68/81/179266881.db2.gz PMNDOIHAUFOMHE-QGZVFWFLSA-N 2 2 282.391 2.322 10 0 CEAELP c1nc(CC[N@@H+]2CCC[NH2+]C3(CCCC3)C2)cs1 ZINC000086297918 179268511 /nfs/dbraw/zinc/26/85/11/179268511.db2.gz ZODRBOORXYVVQZ-UHFFFAOYSA-N 2 2 265.426 2.294 10 0 CEAELP c1nc(CC[N@H+]2CCC[NH2+]C3(CCCC3)C2)cs1 ZINC000086297918 179268514 /nfs/dbraw/zinc/26/85/14/179268514.db2.gz ZODRBOORXYVVQZ-UHFFFAOYSA-N 2 2 265.426 2.294 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840342 179351595 /nfs/dbraw/zinc/35/15/95/179351595.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 3 2 279.472 2.467 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840342 179351596 /nfs/dbraw/zinc/35/15/96/179351596.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 3 2 279.472 2.467 10 0 CEAELP CCC(CC)[N@H+](CCOC)[C@]1(C[NH3+])CCCOCC1 ZINC000086875412 179365288 /nfs/dbraw/zinc/36/52/88/179365288.db2.gz UTJVKVWNEAXWKF-OAHLLOKOSA-N 2 2 272.433 2.021 10 0 CEAELP CCC(CC)[N@@H+](CCOC)[C@]1(C[NH3+])CCCOCC1 ZINC000086875412 179365290 /nfs/dbraw/zinc/36/52/90/179365290.db2.gz UTJVKVWNEAXWKF-OAHLLOKOSA-N 2 2 272.433 2.021 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCOCC2)CC1 ZINC000086890732 179366395 /nfs/dbraw/zinc/36/63/95/179366395.db2.gz YGKWXFAMCOSQAT-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCOCC2)CC1 ZINC000086890732 179366396 /nfs/dbraw/zinc/36/63/96/179366396.db2.gz YGKWXFAMCOSQAT-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)cc1F ZINC000086983534 179374153 /nfs/dbraw/zinc/37/41/53/179374153.db2.gz OMMSOROFEUCVOK-ZDUSSCGKSA-N 2 2 254.349 2.422 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)cc1F ZINC000086983534 179374156 /nfs/dbraw/zinc/37/41/56/179374156.db2.gz OMMSOROFEUCVOK-ZDUSSCGKSA-N 2 2 254.349 2.422 10 0 CEAELP CC(=O)Nc1ccccc1[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616628127 348539407 /nfs/dbraw/zinc/53/94/07/348539407.db2.gz ZIDJXVSEPNVIQE-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1ccccc1[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000616628127 348539409 /nfs/dbraw/zinc/53/94/09/348539409.db2.gz ZIDJXVSEPNVIQE-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)Nc1nc[nH+]c2cc(N)ccc21 ZINC000087820506 179493283 /nfs/dbraw/zinc/49/32/83/179493283.db2.gz XDHRQXVDAQAZIP-AWEZNQCLSA-N 2 2 273.384 2.210 10 0 CEAELP CC(=O)Nc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615153 348535252 /nfs/dbraw/zinc/53/52/52/348535252.db2.gz RJWBZNROHMPQNT-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615153 348535255 /nfs/dbraw/zinc/53/52/55/348535255.db2.gz RJWBZNROHMPQNT-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP Cc1c[nH+]c(N2CC[C@H]([NH+]3CCCCC3)C2)c(N)c1 ZINC000090691279 180024737 /nfs/dbraw/zinc/02/47/37/180024737.db2.gz SDVWSKZMPBRJKD-ZDUSSCGKSA-N 2 2 260.385 2.037 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1Cc2ccccc2O1 ZINC000090877812 180052428 /nfs/dbraw/zinc/05/24/28/180052428.db2.gz UQDXLWJFHJWBPJ-HNNXBMFYSA-N 2 2 271.364 2.305 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907503 180061843 /nfs/dbraw/zinc/06/18/43/180061843.db2.gz ALODUKPNVJJWFQ-OKILXGFUSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907503 180061844 /nfs/dbraw/zinc/06/18/44/180061844.db2.gz ALODUKPNVJJWFQ-OKILXGFUSA-N 2 2 254.418 2.121 10 0 CEAELP [NH3+]Cc1nc(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cs1 ZINC000090930593 180063603 /nfs/dbraw/zinc/06/36/03/180063603.db2.gz ZQOBDLSKCKRIQS-UHFFFAOYSA-N 2 2 299.359 2.244 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cs1 ZINC000090958702 180075121 /nfs/dbraw/zinc/07/51/21/180075121.db2.gz VVBSAUDBBQZKPJ-KXUCPTDWSA-N 2 2 271.455 2.489 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cs1 ZINC000090958702 180075122 /nfs/dbraw/zinc/07/51/22/180075122.db2.gz VVBSAUDBBQZKPJ-KXUCPTDWSA-N 2 2 271.455 2.489 10 0 CEAELP Fc1cc2[nH]c(C[C@H]3CSCC[NH2+]3)[nH+]c2cc1F ZINC000091128495 180100591 /nfs/dbraw/zinc/10/05/91/180100591.db2.gz SMVFCFKEDUPLPI-ZETCQYMHSA-N 2 2 269.320 2.089 10 0 CEAELP CCNC(=O)C[C@@H](C[NH3+])[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316426 180133408 /nfs/dbraw/zinc/13/34/08/180133408.db2.gz YOJCDOXQDUDBKE-FZMZJTMJSA-N 2 2 297.830 2.186 10 0 CEAELP CCNC(=O)C[C@@H](C[NH3+])[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000091316426 180133409 /nfs/dbraw/zinc/13/34/09/180133409.db2.gz YOJCDOXQDUDBKE-FZMZJTMJSA-N 2 2 297.830 2.186 10 0 CEAELP CCCNC(=O)C[C@@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1 ZINC000091317507 180133981 /nfs/dbraw/zinc/13/39/81/180133981.db2.gz KTCGGNFNBBWLFF-HNNXBMFYSA-N 2 2 295.471 2.276 10 0 CEAELP CC1(C)CCCN([C@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276592 180120212 /nfs/dbraw/zinc/12/02/12/180120212.db2.gz SEGJXHUIWXCDKI-CYBMUJFWSA-N 2 2 262.401 2.340 10 0 CEAELP CN(Cc1ccsc1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276251 180120347 /nfs/dbraw/zinc/12/03/47/180120347.db2.gz DPDSCSPROPXMBN-ZDUSSCGKSA-N 2 2 276.409 2.411 10 0 CEAELP Cc1csc([C@H](C)[NH2+]CC[C@H]2CSCC[NH2+]2)n1 ZINC000091292347 180123728 /nfs/dbraw/zinc/12/37/28/180123728.db2.gz SSPUBOWCWVRIFC-QWRGUYRKSA-N 2 2 271.455 2.197 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000091405065 180147493 /nfs/dbraw/zinc/14/74/93/180147493.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000091405065 180147495 /nfs/dbraw/zinc/14/74/95/180147495.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000091405065 180147497 /nfs/dbraw/zinc/14/74/97/180147497.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 3 2 269.477 2.284 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000091405065 180147498 /nfs/dbraw/zinc/14/74/98/180147498.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 3 2 269.477 2.284 10 0 CEAELP CCn1cc(C[C@@H]([NH2+]C)C(C)(C)[NH+]2CCCCC2)cn1 ZINC000091564791 180193450 /nfs/dbraw/zinc/19/34/50/180193450.db2.gz LXVUATOKZKFTJH-OAHLLOKOSA-N 2 2 278.444 2.298 10 0 CEAELP CC[NH2+][C@@H](Cc1cnn(C)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091565098 180193752 /nfs/dbraw/zinc/19/37/52/180193752.db2.gz YOMSDGJMIIYKRL-HNNXBMFYSA-N 2 2 278.444 2.205 10 0 CEAELP CC[C@](C)([C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606081 180204129 /nfs/dbraw/zinc/20/41/29/180204129.db2.gz SLVGHALVQZDSSZ-GDBMZVCRSA-N 3 2 276.428 2.059 10 0 CEAELP CCC(CC)([C@H](O)c1c(C)cc[nH+]c1N)[NH+](C)C ZINC000091613479 180208300 /nfs/dbraw/zinc/20/83/00/180208300.db2.gz RGIADMICQDHUJB-GFCCVEGCSA-N 2 2 251.374 2.126 10 0 CEAELP C[NH2+][C@H](Cc1cc(C)ccc1OC)C(C)(C)[NH+](C)C ZINC000091528550 180180311 /nfs/dbraw/zinc/18/03/11/180180311.db2.gz MSCANVAXSKJOBI-OAHLLOKOSA-N 2 2 264.413 2.474 10 0 CEAELP C[NH2+][C@H](Cc1ccncc1Cl)C(C)(C)[NH+](C)C ZINC000091528634 180180676 /nfs/dbraw/zinc/18/06/76/180180676.db2.gz XTQCRRSQDALLRV-GFCCVEGCSA-N 2 2 255.793 2.206 10 0 CEAELP CC[C@H](C)C[C@@H]([NH3+])C1([NH+]2CCOCC2)CCCC1 ZINC000091642845 180214310 /nfs/dbraw/zinc/21/43/10/180214310.db2.gz SLBOAXNBOXAJSS-UONOGXRCSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@@](C(=O)Cc2ccc[nH+]c2N)([NH+](C)C)C1 ZINC000091650479 180216105 /nfs/dbraw/zinc/21/61/05/180216105.db2.gz ZKEAFSRRUKHHLJ-MLGOLLRUSA-N 2 2 275.396 2.286 10 0 CEAELP CC[NH+](CC)CC[C@@H]([NH3+])c1cc(Cl)cnc1N ZINC000091715729 180232449 /nfs/dbraw/zinc/23/24/49/180232449.db2.gz RIDJPQSOSXXRHX-LLVKDONJSA-N 2 2 256.781 2.049 10 0 CEAELP CCC[NH2+][C@H](Cc1ccc(OC)c(F)c1)C[NH+](C)C ZINC000091719899 180234194 /nfs/dbraw/zinc/23/41/94/180234194.db2.gz JQJLRYUNGOIUOO-CYBMUJFWSA-N 2 2 268.376 2.307 10 0 CEAELP C[NH+](C)C[C@@H]([NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000091719597 180234282 /nfs/dbraw/zinc/23/42/82/180234282.db2.gz NYYKZGFTLLTNPW-JTQLQIEISA-N 2 2 262.275 2.017 10 0 CEAELP CCC[NH2+][C@H](c1cnccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722269 180240441 /nfs/dbraw/zinc/24/04/41/180240441.db2.gz FVWULVYWGZISHN-HYVNUMGLSA-N 2 2 289.423 2.294 10 0 CEAELP CCC[NH2+][C@H](c1cnccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722269 180240443 /nfs/dbraw/zinc/24/04/43/180240443.db2.gz FVWULVYWGZISHN-HYVNUMGLSA-N 2 2 289.423 2.294 10 0 CEAELP CCC[NH2+]C[C@@H](C)c1c(C)nc(C[NH+](C)C)nc1C ZINC000091723767 180242441 /nfs/dbraw/zinc/24/24/41/180242441.db2.gz GGRXKAFADLFGSQ-LLVKDONJSA-N 2 2 264.417 2.258 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926285 180287659 /nfs/dbraw/zinc/28/76/59/180287659.db2.gz RZNHOZJIOKYPKO-QRMWWUJWSA-N 2 2 251.374 2.092 10 0 CEAELP CCCC1CCC(C[NH3+])([C@@H](O)c2c[nH+]cn2C)CC1 ZINC000091926062 180287730 /nfs/dbraw/zinc/28/77/30/180287730.db2.gz OTHQUFZSKYCCEC-BLZCZZARSA-N 2 2 265.401 2.389 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091926142 180287390 /nfs/dbraw/zinc/28/73/90/180287390.db2.gz UFQNPNNUHAVIPK-CYBMUJFWSA-N 2 2 265.401 2.482 10 0 CEAELP CCC[NH2+][C@@H](C)c1ccccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054213 180314601 /nfs/dbraw/zinc/31/46/01/180314601.db2.gz VRHPABBOFRMHBI-LSDHHAIUSA-N 2 2 292.423 2.457 10 0 CEAELP CCC[NH2+][C@@H](C)c1ccccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054213 180314602 /nfs/dbraw/zinc/31/46/02/180314602.db2.gz VRHPABBOFRMHBI-LSDHHAIUSA-N 2 2 292.423 2.457 10 0 CEAELP CC1(C)C[N@@H+](C[C@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307392 180360789 /nfs/dbraw/zinc/36/07/89/180360789.db2.gz JJJNXIFHHNSOLG-ZDUSSCGKSA-N 2 2 260.381 2.237 10 0 CEAELP CC1(C)C[N@H+](C[C@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307392 180360787 /nfs/dbraw/zinc/36/07/87/180360787.db2.gz JJJNXIFHHNSOLG-ZDUSSCGKSA-N 2 2 260.381 2.237 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366829 180368923 /nfs/dbraw/zinc/36/89/23/180368923.db2.gz DXIYLLFUQMTMOP-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366829 180368925 /nfs/dbraw/zinc/36/89/25/180368925.db2.gz DXIYLLFUQMTMOP-MNOVXSKESA-N 2 2 253.777 2.294 10 0 CEAELP CCNc1cccc(CN2CC[N@H+](C)[C@@H](CC)C2)[nH+]1 ZINC000092370808 180369976 /nfs/dbraw/zinc/36/99/76/180369976.db2.gz PKXUMQPJIDGMRA-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN2CC[N@@H+](C)[C@@H](CC)C2)[nH+]1 ZINC000092370808 180369977 /nfs/dbraw/zinc/36/99/77/180369977.db2.gz PKXUMQPJIDGMRA-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP COc1cccc(-c2cn3c([nH+]2)[C@H](C)C[C@@H]([NH3+])C3)c1 ZINC000107827674 186194779 /nfs/dbraw/zinc/19/47/79/186194779.db2.gz QAPNXILXFLRADG-ZYHUDNBSSA-N 2 2 257.337 2.393 10 0 CEAELP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000109461760 186253718 /nfs/dbraw/zinc/25/37/18/186253718.db2.gz JUGMOPLCTPZYES-HNNXBMFYSA-N 2 2 297.393 2.210 10 0 CEAELP CC[N@H+](Cc1ccc(NC(C)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110936311 186334990 /nfs/dbraw/zinc/33/49/90/186334990.db2.gz UOXZHIFDDARKRX-MRXNPFEDSA-N 2 2 275.396 2.219 10 0 CEAELP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110936311 186334991 /nfs/dbraw/zinc/33/49/91/186334991.db2.gz UOXZHIFDDARKRX-MRXNPFEDSA-N 2 2 275.396 2.219 10 0 CEAELP CC[N@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943471 186335528 /nfs/dbraw/zinc/33/55/28/186335528.db2.gz UZRGAELLNOVPDE-OAHLLOKOSA-N 2 2 276.380 2.047 10 0 CEAELP CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110943471 186335530 /nfs/dbraw/zinc/33/55/30/186335530.db2.gz UZRGAELLNOVPDE-OAHLLOKOSA-N 2 2 276.380 2.047 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154650 186360811 /nfs/dbraw/zinc/36/08/11/186360811.db2.gz ZGYDEEDUDOMXNM-MBNYWOFBSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154650 186360812 /nfs/dbraw/zinc/36/08/12/186360812.db2.gz ZGYDEEDUDOMXNM-MBNYWOFBSA-N 2 2 268.426 2.495 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111156275 186362543 /nfs/dbraw/zinc/36/25/43/186362543.db2.gz WQLOOBSXFJJUJP-SWLSCSKDSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111156275 186362545 /nfs/dbraw/zinc/36/25/45/186362545.db2.gz WQLOOBSXFJJUJP-SWLSCSKDSA-N 2 2 266.385 2.335 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+](C)CCC[NH+](C)C)oc1C ZINC000111150400 186359836 /nfs/dbraw/zinc/35/98/36/186359836.db2.gz XGGBTAGFCKJQFM-UHFFFAOYSA-N 3 2 267.417 2.081 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+](C)CCC[NH+](C)C)oc1C ZINC000111150400 186359837 /nfs/dbraw/zinc/35/98/37/186359837.db2.gz XGGBTAGFCKJQFM-UHFFFAOYSA-N 3 2 267.417 2.081 10 0 CEAELP C[N@H+](Cc1ccccc1F)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320799 186397645 /nfs/dbraw/zinc/39/76/45/186397645.db2.gz KVYQRMVFPJLWFM-UKRRQHHQSA-N 2 2 266.360 2.011 10 0 CEAELP C[N@@H+](Cc1ccccc1F)[C@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320799 186397647 /nfs/dbraw/zinc/39/76/47/186397647.db2.gz KVYQRMVFPJLWFM-UKRRQHHQSA-N 2 2 266.360 2.011 10 0 CEAELP C[N@H+](Cc1ccncc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000629519558 351385845 /nfs/dbraw/zinc/38/58/45/351385845.db2.gz UOBMDQCAHHTVAO-GFCCVEGCSA-N 2 2 298.228 2.418 10 0 CEAELP C[N@@H+](Cc1ccncc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000629519558 351385849 /nfs/dbraw/zinc/38/58/49/351385849.db2.gz UOBMDQCAHHTVAO-GFCCVEGCSA-N 2 2 298.228 2.418 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@@H](C)c1[nH+]ccn1C ZINC000070444933 363082004 /nfs/dbraw/zinc/08/20/04/363082004.db2.gz QBVVOKYRMZFSGG-QWHCGFSZSA-N 2 2 252.406 2.047 10 0 CEAELP CC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)C1 ZINC000389316098 540351045 /nfs/dbraw/zinc/35/10/45/540351045.db2.gz FUGPIEMLUAURRC-JTQLQIEISA-N 2 2 299.216 2.362 10 0 CEAELP CC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)C1 ZINC000389316098 540351049 /nfs/dbraw/zinc/35/10/49/540351049.db2.gz FUGPIEMLUAURRC-JTQLQIEISA-N 2 2 299.216 2.362 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccsc1 ZINC000178519724 189123076 /nfs/dbraw/zinc/12/30/76/189123076.db2.gz WELLKGATXMBSOM-OCCSQVGLSA-N 2 2 268.426 2.246 10 0 CEAELP CCn1nccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180126880 189238761 /nfs/dbraw/zinc/23/87/61/189238761.db2.gz ORBDNEZALURCFF-AWEZNQCLSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1nccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180126880 189238762 /nfs/dbraw/zinc/23/87/62/189238762.db2.gz ORBDNEZALURCFF-AWEZNQCLSA-N 2 2 273.384 2.073 10 0 CEAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400442675 299321956 /nfs/dbraw/zinc/32/19/56/299321956.db2.gz MUONQSVPAZMOTE-QXSJWSMHSA-N 3 2 267.461 2.085 10 0 CEAELP CCc1cc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)nc(C)[nH+]1 ZINC000302111112 201346803 /nfs/dbraw/zinc/34/68/03/201346803.db2.gz UGSPDSRYBBXRKH-GJZGRUSLSA-N 2 2 290.411 2.013 10 0 CEAELP CCc1cc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)nc(C)[nH+]1 ZINC000302111112 201346806 /nfs/dbraw/zinc/34/68/06/201346806.db2.gz UGSPDSRYBBXRKH-GJZGRUSLSA-N 2 2 290.411 2.013 10 0 CEAELP CC1CC[NH+](CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636553 363836084 /nfs/dbraw/zinc/83/60/84/363836084.db2.gz XACYPVLNWJVNJL-ZNMIVQPWSA-N 2 2 266.429 2.121 10 0 CEAELP c1cn2c(cccc2CN2CC[N@@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000245868685 370881574 /nfs/dbraw/zinc/88/15/74/370881574.db2.gz QXSKWUJPNJYWET-AWEZNQCLSA-N 2 2 270.380 2.004 10 0 CEAELP c1cn2c(cccc2CN2CC[N@H+]3CCCC[C@H]3C2)[nH+]1 ZINC000245868685 370881581 /nfs/dbraw/zinc/88/15/81/370881581.db2.gz QXSKWUJPNJYWET-AWEZNQCLSA-N 2 2 270.380 2.004 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC000190483491 369627716 /nfs/dbraw/zinc/62/77/16/369627716.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 2 296.418 2.431 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC000190483491 369627718 /nfs/dbraw/zinc/62/77/18/369627718.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190483491 369627720 /nfs/dbraw/zinc/62/77/20/369627720.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 2 296.418 2.431 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000190483491 369627721 /nfs/dbraw/zinc/62/77/21/369627721.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 2 296.418 2.431 10 0 CEAELP C=Cn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000194043100 370001863 /nfs/dbraw/zinc/00/18/63/370001863.db2.gz XBKGMNFZBTVURC-OAHLLOKOSA-N 2 2 271.368 2.153 10 0 CEAELP C=Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000194043100 370001867 /nfs/dbraw/zinc/00/18/67/370001867.db2.gz XBKGMNFZBTVURC-OAHLLOKOSA-N 2 2 271.368 2.153 10 0 CEAELP Brc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000226375804 370338277 /nfs/dbraw/zinc/33/82/77/370338277.db2.gz QWPSMQBNHTWXKH-QMMMGPOBSA-N 2 2 275.215 2.005 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000231669376 370486274 /nfs/dbraw/zinc/48/62/74/370486274.db2.gz ANHZJINFDPFLGX-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(C)c1 ZINC000231669376 370486277 /nfs/dbraw/zinc/48/62/77/370486277.db2.gz ANHZJINFDPFLGX-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249010830 371281873 /nfs/dbraw/zinc/28/18/73/371281873.db2.gz IOAVVRCHSIZNOO-HUUCEWRRSA-N 2 2 254.418 2.362 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249010830 371281879 /nfs/dbraw/zinc/28/18/79/371281879.db2.gz IOAVVRCHSIZNOO-HUUCEWRRSA-N 2 2 254.418 2.362 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000249007019 371281984 /nfs/dbraw/zinc/28/19/84/371281984.db2.gz OBUATMNGUNFVML-HRCADAONSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)C12CCOCC2 ZINC000249007019 371281991 /nfs/dbraw/zinc/28/19/91/371281991.db2.gz OBUATMNGUNFVML-HRCADAONSA-N 2 2 296.455 2.035 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647364 371388938 /nfs/dbraw/zinc/38/89/38/371388938.db2.gz VRTDNNMRSZEZRJ-XVKPBYJWSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647364 371388944 /nfs/dbraw/zinc/38/89/44/371388944.db2.gz VRTDNNMRSZEZRJ-XVKPBYJWSA-N 2 2 275.215 2.462 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1[NH3+] ZINC000261549089 371643833 /nfs/dbraw/zinc/64/38/33/371643833.db2.gz GSZLLCHTRIFWNZ-JOYOIKCWSA-N 2 2 256.296 2.067 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@H]1[NH3+] ZINC000261549089 371643837 /nfs/dbraw/zinc/64/38/37/371643837.db2.gz GSZLLCHTRIFWNZ-JOYOIKCWSA-N 2 2 256.296 2.067 10 0 CEAELP CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000261661238 371696006 /nfs/dbraw/zinc/69/60/06/371696006.db2.gz GYVPNJZEZQKNOD-OAHLLOKOSA-N 2 2 274.368 2.357 10 0 CEAELP CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000261661238 371696007 /nfs/dbraw/zinc/69/60/07/371696007.db2.gz GYVPNJZEZQKNOD-OAHLLOKOSA-N 2 2 274.368 2.357 10 0 CEAELP C[C@@H]1C[N@H+](Cc2noc(C[NH3+])n2)CC[C@@H]1c1ccccc1 ZINC000262185035 371835514 /nfs/dbraw/zinc/83/55/14/371835514.db2.gz JDKAMJSCWWYDGQ-OCCSQVGLSA-N 2 2 286.379 2.154 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2noc(C[NH3+])n2)CC[C@@H]1c1ccccc1 ZINC000262185035 371835516 /nfs/dbraw/zinc/83/55/16/371835516.db2.gz JDKAMJSCWWYDGQ-OCCSQVGLSA-N 2 2 286.379 2.154 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC000262028410 371803642 /nfs/dbraw/zinc/80/36/42/371803642.db2.gz NTVFFTGSRWEXHZ-LLVKDONJSA-N 2 2 291.424 2.321 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC000262028410 371803651 /nfs/dbraw/zinc/80/36/51/371803651.db2.gz NTVFFTGSRWEXHZ-LLVKDONJSA-N 2 2 291.424 2.321 10 0 CEAELP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000581619079 322412169 /nfs/dbraw/zinc/41/21/69/322412169.db2.gz XTVMYGNWHXMAHM-SDDRHHMPSA-N 2 2 253.415 2.490 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[C@@H]1CCC[C@@]1(O)C[NH3+] ZINC000093627331 184698759 /nfs/dbraw/zinc/69/87/59/184698759.db2.gz YBHQYYRTBBMEMX-XJKSGUPXSA-N 2 2 273.380 2.225 10 0 CEAELP CC[NH2+][C@@H](Cc1nc2ccccc2n1CC)C[NH+](C)C ZINC000094171905 184759111 /nfs/dbraw/zinc/75/91/11/184759111.db2.gz PYHMMGGPWYSLKF-ZDUSSCGKSA-N 2 2 274.412 2.138 10 0 CEAELP Cc1ccc2c(c1)CCC[N@H+]2CCC[C@@](C)(O)C[NH3+] ZINC000085303973 135035581 /nfs/dbraw/zinc/03/55/81/135035581.db2.gz GQTPNNGYELQPLA-MRXNPFEDSA-N 2 2 262.397 2.238 10 0 CEAELP Cc1ccc2c(c1)CCC[N@@H+]2CCC[C@@](C)(O)C[NH3+] ZINC000085303973 135035583 /nfs/dbraw/zinc/03/55/83/135035583.db2.gz GQTPNNGYELQPLA-MRXNPFEDSA-N 2 2 262.397 2.238 10 0 CEAELP C[C@@H]1CCC[C@]1(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000086676378 135048258 /nfs/dbraw/zinc/04/82/58/135048258.db2.gz PAVMGDQTNDKNBY-NVXWUHKLSA-N 2 2 273.424 2.326 10 0 CEAELP CC(C)[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068426 135079047 /nfs/dbraw/zinc/07/90/47/135079047.db2.gz ZFXIXSUCXDFNII-HOTGVXAUSA-N 2 2 290.455 2.226 10 0 CEAELP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396567528 395215797 /nfs/dbraw/zinc/21/57/97/395215797.db2.gz MPISNEWIDGJPSQ-YWPYICTPSA-N 2 2 278.396 2.495 10 0 CEAELP Clc1ccc(SCC[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000262136879 153918982 /nfs/dbraw/zinc/91/89/82/153918982.db2.gz OIVWIYMAFUXDTI-NSHDSACASA-N 2 2 256.802 2.384 10 0 CEAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000334832553 154235945 /nfs/dbraw/zinc/23/59/45/154235945.db2.gz DTEZSXAVCLMXIJ-BXKDBHETSA-N 2 2 284.201 2.074 10 0 CEAELP CO[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163597 162356502 /nfs/dbraw/zinc/35/65/02/162356502.db2.gz RCSWRPAAVQFYDM-CVEARBPZSA-N 2 2 292.423 2.412 10 0 CEAELP CO[C@H]1CC[N@@H+](Cc2cccc(OC(C)C)c2)[C@@H](C[NH3+])C1 ZINC000167163597 162356506 /nfs/dbraw/zinc/35/65/06/162356506.db2.gz RCSWRPAAVQFYDM-CVEARBPZSA-N 2 2 292.423 2.412 10 0 CEAELP [NH3+][C@@H](CC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020273995 171130557 /nfs/dbraw/zinc/13/05/57/171130557.db2.gz XFOSGQDFVFKUFM-ZDUSSCGKSA-N 2 2 254.761 2.062 10 0 CEAELP Cc1cc(N(CCC[NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000035663795 172342467 /nfs/dbraw/zinc/34/24/67/172342467.db2.gz KVVCVVJZRZFRKV-UHFFFAOYSA-N 2 2 250.390 2.472 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000037220633 173038764 /nfs/dbraw/zinc/03/87/64/173038764.db2.gz QQVKUJVNISWCRB-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP Cn1c2ccc(Br)cc2[nH+]c1CCC[NH3+] ZINC000037441361 173211145 /nfs/dbraw/zinc/21/11/45/173211145.db2.gz KJAVQJOQUBDSEQ-UHFFFAOYSA-N 2 2 268.158 2.227 10 0 CEAELP CCCCNc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687503 174376051 /nfs/dbraw/zinc/37/60/51/174376051.db2.gz JUPIXXDQRFMDET-UHFFFAOYSA-N 2 2 258.329 2.409 10 0 CEAELP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1[nH+]ccn1C ZINC000040769341 174399341 /nfs/dbraw/zinc/39/93/41/174399341.db2.gz JURFRIGGNOCUNC-FKEKPDDDSA-N 3 2 290.455 2.061 10 0 CEAELP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CCc1[nH+]ccn1C ZINC000040769341 174399342 /nfs/dbraw/zinc/39/93/42/174399342.db2.gz JURFRIGGNOCUNC-FKEKPDDDSA-N 3 2 290.455 2.061 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCSCC2)c1C ZINC000043314524 175004912 /nfs/dbraw/zinc/00/49/12/175004912.db2.gz SHICITKVGAIBJQ-CQSZACIVSA-N 2 2 250.411 2.352 10 0 CEAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000043324709 175006795 /nfs/dbraw/zinc/00/67/95/175006795.db2.gz DYPDXHAHHHWMMZ-KRWDZBQOSA-N 3 2 275.440 2.370 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339599 175013975 /nfs/dbraw/zinc/01/39/75/175013975.db2.gz OCOGPYCCSCFSEF-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339599 175013976 /nfs/dbraw/zinc/01/39/76/175013976.db2.gz OCOGPYCCSCFSEF-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043345773 175017028 /nfs/dbraw/zinc/01/70/28/175017028.db2.gz GXKDWSCGFBHDDM-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043345773 175017030 /nfs/dbraw/zinc/01/70/30/175017030.db2.gz GXKDWSCGFBHDDM-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043346280 175017371 /nfs/dbraw/zinc/01/73/71/175017371.db2.gz MNAQZUJGKLHILI-MCIONIFRSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043346280 175017372 /nfs/dbraw/zinc/01/73/72/175017372.db2.gz MNAQZUJGKLHILI-MCIONIFRSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCC1 ZINC000043348334 175018920 /nfs/dbraw/zinc/01/89/20/175018920.db2.gz HKKKPXUWANWDFT-JKSUJKDBSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCC1 ZINC000043348334 175018922 /nfs/dbraw/zinc/01/89/22/175018922.db2.gz HKKKPXUWANWDFT-JKSUJKDBSA-N 2 2 277.412 2.097 10 0 CEAELP COCC[N@H+](CC(C)C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354385 175021811 /nfs/dbraw/zinc/02/18/11/175021811.db2.gz LBPQKPWKEWNRSJ-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354385 175021813 /nfs/dbraw/zinc/02/18/13/175021813.db2.gz LBPQKPWKEWNRSJ-UKRRQHHQSA-N 2 2 265.401 2.074 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CC)[C@@H](C)COC ZINC000043354806 175022206 /nfs/dbraw/zinc/02/22/06/175022206.db2.gz XJNBPESUQILRFF-CFVMTHIKSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CC)[C@@H](C)COC ZINC000043354806 175022208 /nfs/dbraw/zinc/02/22/08/175022208.db2.gz XJNBPESUQILRFF-CFVMTHIKSA-N 2 2 265.401 2.217 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365365 175026392 /nfs/dbraw/zinc/02/63/92/175026392.db2.gz CDCPMPPLAXRDGE-MPKXVKKWSA-N 2 2 254.374 2.333 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365365 175026394 /nfs/dbraw/zinc/02/63/94/175026394.db2.gz CDCPMPPLAXRDGE-MPKXVKKWSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](CCCO)C(C)C ZINC000043365168 175026875 /nfs/dbraw/zinc/02/68/75/175026875.db2.gz XDYCRFPROJNTQA-ZFWWWQNUSA-N 2 2 268.401 2.459 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](CCCO)C(C)C ZINC000043365168 175026876 /nfs/dbraw/zinc/02/68/76/175026876.db2.gz XDYCRFPROJNTQA-ZFWWWQNUSA-N 2 2 268.401 2.459 10 0 CEAELP CC[C@H]1CCCC[N@@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883325 175115955 /nfs/dbraw/zinc/11/59/55/175115955.db2.gz ZJOSMVZVFHUZOH-SOUVJXGZSA-N 2 2 282.428 2.135 10 0 CEAELP CC[C@H]1CCCC[N@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883325 175115956 /nfs/dbraw/zinc/11/59/56/175115956.db2.gz ZJOSMVZVFHUZOH-SOUVJXGZSA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CCCC[C@@H]1CC ZINC000043883515 175116138 /nfs/dbraw/zinc/11/61/38/175116138.db2.gz DNFNFMKZNLLRMN-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+]1CCCC[C@@H]1CC ZINC000043883515 175116139 /nfs/dbraw/zinc/11/61/39/175116139.db2.gz DNFNFMKZNLLRMN-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[NH+]1CCC(OCC)CC1 ZINC000043907537 175123516 /nfs/dbraw/zinc/12/35/16/175123516.db2.gz QAHBRICSNHZHGV-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H](CC)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970715 175131736 /nfs/dbraw/zinc/13/17/36/175131736.db2.gz FYIPQFHUOHKVPL-HIFRSBDPSA-N 3 2 255.450 2.037 10 0 CEAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000044746746 175242600 /nfs/dbraw/zinc/24/26/00/175242600.db2.gz UCDOBEQVUFGYQA-DLBZAZTESA-N 2 2 272.392 2.453 10 0 CEAELP CCC[NH2+][C@H]1CC[N@H+](Cc2cc(C)no2)C[C@@H]1C ZINC000044994969 175287306 /nfs/dbraw/zinc/28/73/06/175287306.db2.gz IYUXDHIPDQPWNH-FZMZJTMJSA-N 2 2 251.374 2.193 10 0 CEAELP CCC[NH2+][C@H]1CC[N@@H+](Cc2cc(C)no2)C[C@@H]1C ZINC000044994969 175287307 /nfs/dbraw/zinc/28/73/07/175287307.db2.gz IYUXDHIPDQPWNH-FZMZJTMJSA-N 2 2 251.374 2.193 10 0 CEAELP CO[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045106352 175308010 /nfs/dbraw/zinc/30/80/10/175308010.db2.gz VMSRVJJTIHFZTH-KBPBESRZSA-N 2 2 251.374 2.211 10 0 CEAELP Cn1cc[nH+]c1CCNc1ccc2cc(N)ccc2[nH+]1 ZINC000045118481 175311461 /nfs/dbraw/zinc/31/14/61/175311461.db2.gz WRMDMURQPXKRKV-UHFFFAOYSA-N 2 2 267.336 2.205 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H](C)C1)[NH2+]C(C)C ZINC000045377292 175367081 /nfs/dbraw/zinc/36/70/81/175367081.db2.gz ZCQZJQVFKFIQEX-ZBFHGGJFSA-N 2 2 284.444 2.428 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H](C)C1)[NH2+]C(C)C ZINC000045377292 175367083 /nfs/dbraw/zinc/36/70/83/175367083.db2.gz ZCQZJQVFKFIQEX-ZBFHGGJFSA-N 2 2 284.444 2.428 10 0 CEAELP CCOC(=O)[C@](C)(CCCC[NH+]1CCCCC1)[NH2+]C ZINC000045378242 175367768 /nfs/dbraw/zinc/36/77/68/175367768.db2.gz MVJCQHXDODXTNG-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419348 175377907 /nfs/dbraw/zinc/37/79/07/175377907.db2.gz GUPDTUYSQDRDSG-UXLLHSPISA-N 2 2 296.455 2.430 10 0 CEAELP C[NH2+][C@@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419348 175377908 /nfs/dbraw/zinc/37/79/08/175377908.db2.gz GUPDTUYSQDRDSG-UXLLHSPISA-N 2 2 296.455 2.430 10 0 CEAELP COc1ccc(-c2nc(N3CC[C@@H]([NH3+])C3)c(C)c(C)[nH+]2)cc1 ZINC000070455860 175940351 /nfs/dbraw/zinc/94/03/51/175940351.db2.gz GSYPOHITQCPBMY-CQSZACIVSA-N 2 2 298.390 2.306 10 0 CEAELP CCC[NH2+][C@@](CO)(Cn1c(C)[nH+]c2ccccc21)C1CC1 ZINC000070515896 175964901 /nfs/dbraw/zinc/96/49/01/175964901.db2.gz QZLBGDHFWCKGCE-QGZVFWFLSA-N 2 2 287.407 2.485 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122580 176034849 /nfs/dbraw/zinc/03/48/49/176034849.db2.gz ZEAMSEUYUQTBOH-BARDWOONSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122580 176034850 /nfs/dbraw/zinc/03/48/50/176034850.db2.gz ZEAMSEUYUQTBOH-BARDWOONSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC[C@@H]2CC)C1 ZINC000071123471 176035430 /nfs/dbraw/zinc/03/54/30/176035430.db2.gz ZMGURZJVKIOKHI-KKUMJFAQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+]2CCOC[C@@H]2CC)C1 ZINC000071123471 176035431 /nfs/dbraw/zinc/03/54/31/176035431.db2.gz ZMGURZJVKIOKHI-KKUMJFAQSA-N 2 2 254.418 2.395 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N[C@@H](CO)Cc2ccccc2)[nH+]1 ZINC000071187521 176060605 /nfs/dbraw/zinc/06/06/05/176060605.db2.gz MQDUHFJBINIZPM-OAHLLOKOSA-N 2 2 285.391 2.173 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000071197900 176076736 /nfs/dbraw/zinc/07/67/36/176076736.db2.gz KOWJUNGQZNOGGL-HNNXBMFYSA-N 2 2 262.397 2.312 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000071197900 176076737 /nfs/dbraw/zinc/07/67/37/176076737.db2.gz KOWJUNGQZNOGGL-HNNXBMFYSA-N 2 2 262.397 2.312 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263516 176096515 /nfs/dbraw/zinc/09/65/15/176096515.db2.gz UITCOKRARRNWKD-UHFFFAOYSA-N 3 2 279.403 2.201 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263516 176096516 /nfs/dbraw/zinc/09/65/16/176096516.db2.gz UITCOKRARRNWKD-UHFFFAOYSA-N 3 2 279.403 2.201 10 0 CEAELP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000071297775 176112537 /nfs/dbraw/zinc/11/25/37/176112537.db2.gz IOXOBPPNIYKJES-LSDHHAIUSA-N 2 2 282.428 2.326 10 0 CEAELP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000071297775 176112538 /nfs/dbraw/zinc/11/25/38/176112538.db2.gz IOXOBPPNIYKJES-LSDHHAIUSA-N 2 2 282.428 2.326 10 0 CEAELP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309630 176116988 /nfs/dbraw/zinc/11/69/88/176116988.db2.gz PWSXOEAGZLAJIU-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000071309630 176116990 /nfs/dbraw/zinc/11/69/90/176116990.db2.gz PWSXOEAGZLAJIU-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP CCOCC[N@@H+]1C[C@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342114 176130245 /nfs/dbraw/zinc/13/02/45/176130245.db2.gz XFTFQJHYKWVNLP-CABCVRRESA-N 2 2 254.418 2.121 10 0 CEAELP CCOCC[N@H+]1C[C@H](C(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071342114 176130246 /nfs/dbraw/zinc/13/02/46/176130246.db2.gz XFTFQJHYKWVNLP-CABCVRRESA-N 2 2 254.418 2.121 10 0 CEAELP C[C@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000071359215 176137831 /nfs/dbraw/zinc/13/78/31/176137831.db2.gz UXKWAOURHMJUKY-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@]1(C2CC2)C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000071359215 176137833 /nfs/dbraw/zinc/13/78/33/176137833.db2.gz UXKWAOURHMJUKY-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000136327183 419443923 /nfs/dbraw/zinc/44/39/23/419443923.db2.gz DQFRVFUVEBGYSJ-CQSZACIVSA-N 2 2 272.352 2.184 10 0 CEAELP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000390557363 262217351 /nfs/dbraw/zinc/21/73/51/262217351.db2.gz IWYFNAAZGMCQTO-OOHWJJMZSA-N 3 2 275.440 2.366 10 0 CEAELP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000390557363 262217352 /nfs/dbraw/zinc/21/73/52/262217352.db2.gz IWYFNAAZGMCQTO-OOHWJJMZSA-N 3 2 275.440 2.366 10 0 CEAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396531981 270349747 /nfs/dbraw/zinc/34/97/47/270349747.db2.gz HPRNFAXJTPWZOM-MKBNYLNASA-N 2 2 275.396 2.436 10 0 CEAELP C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1[nH+]ccn1C ZINC000070443585 277627713 /nfs/dbraw/zinc/62/77/13/277627713.db2.gz XAKWXXGSUXGNHE-HIFRSBDPSA-N 2 2 272.396 2.374 10 0 CEAELP C[C@@H]1C[N@@H+](C2CC[NH+](C3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000335210890 288134683 /nfs/dbraw/zinc/13/46/83/288134683.db2.gz XDDSJKVASDUMQO-RHSMWYFYSA-N 3 2 279.472 2.310 10 0 CEAELP C[C@@H]1C[N@H+](C2CC[NH+](C3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000335210890 288134684 /nfs/dbraw/zinc/13/46/84/288134684.db2.gz XDDSJKVASDUMQO-RHSMWYFYSA-N 3 2 279.472 2.310 10 0 CEAELP c1ccc2[nH+]c(N3CCC4(C3)CC[NH2+]CC4)[nH]c2c1 ZINC000335294182 280486726 /nfs/dbraw/zinc/48/67/26/280486726.db2.gz AZZCGWZICLGZFE-UHFFFAOYSA-N 2 2 256.353 2.143 10 0 CEAELP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773777 281398129 /nfs/dbraw/zinc/39/81/29/281398129.db2.gz OWXQMVREUGWJMB-OLZOCXBDSA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773777 281398131 /nfs/dbraw/zinc/39/81/31/281398131.db2.gz OWXQMVREUGWJMB-OLZOCXBDSA-N 2 2 286.379 2.215 10 0 CEAELP COC[C@@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1ccccc1F)C2 ZINC000253612996 333186048 /nfs/dbraw/zinc/18/60/48/333186048.db2.gz ISSNBVRGKYBSCA-RDJZCZTQSA-N 2 2 292.398 2.226 10 0 CEAELP COC[C@@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1ccccc1F)C2 ZINC000253612996 333186050 /nfs/dbraw/zinc/18/60/50/333186050.db2.gz ISSNBVRGKYBSCA-RDJZCZTQSA-N 2 2 292.398 2.226 10 0 CEAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1ccccc1F)C2 ZINC000253612996 333186051 /nfs/dbraw/zinc/18/60/51/333186051.db2.gz ISSNBVRGKYBSCA-RDJZCZTQSA-N 2 2 292.398 2.226 10 0 CEAELP COC[C@@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000253612996 333186052 /nfs/dbraw/zinc/18/60/52/333186052.db2.gz ISSNBVRGKYBSCA-RDJZCZTQSA-N 2 2 292.398 2.226 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000054557112 519559953 /nfs/dbraw/zinc/55/99/53/519559953.db2.gz KZYOHYBFHCHJCK-UHFFFAOYSA-N 2 2 278.444 2.396 10 0 CEAELP CCC[NH2+]C1CC[NH+](C2CC[NH+](CCC)CC2)CC1 ZINC000049557855 519906422 /nfs/dbraw/zinc/90/64/22/519906422.db2.gz XMSYSVGEQKEVFE-UHFFFAOYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@H](CC)C2)c(C)o1 ZINC000052477367 519990249 /nfs/dbraw/zinc/99/02/49/519990249.db2.gz NECSHBUSUFYGPF-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@H](CC)C2)c(C)o1 ZINC000052477367 519990258 /nfs/dbraw/zinc/99/02/58/519990258.db2.gz NECSHBUSUFYGPF-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP C[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346754 522396384 /nfs/dbraw/zinc/39/63/84/522396384.db2.gz WAKLCINVKBDKDQ-KGLIPLIRSA-N 2 2 254.418 2.121 10 0 CEAELP CC[NH2+][C@](C)(CO)CCCn1c(C)[nH+]c2ccccc21 ZINC000070515873 517669610 /nfs/dbraw/zinc/66/96/10/517669610.db2.gz MEXIKGRCQNDKJX-INIZCTEOSA-N 2 2 275.396 2.485 10 0 CEAELP CC(C)C[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000068697223 519273881 /nfs/dbraw/zinc/27/38/81/519273881.db2.gz BPWJYXYFNNNWEN-OAHLLOKOSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049555486 519342241 /nfs/dbraw/zinc/34/22/41/519342241.db2.gz IENZHONZQZGUBZ-ILXRZTDVSA-N 2 2 256.434 2.246 10 0 CEAELP CC(C)C1CCC(C[NH3+])([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000054557112 519559946 /nfs/dbraw/zinc/55/99/46/519559946.db2.gz KZYOHYBFHCHJCK-UHFFFAOYSA-N 2 2 278.444 2.396 10 0 CEAELP CC(C)OCC[N@@H+]1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062660578 519765689 /nfs/dbraw/zinc/76/56/89/519765689.db2.gz KMTPXIFHCSLSFM-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CC(C)OCC[N@H+]1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062660578 519765690 /nfs/dbraw/zinc/76/56/90/519765690.db2.gz KMTPXIFHCSLSFM-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CCCC1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000050893845 519902531 /nfs/dbraw/zinc/90/25/31/519902531.db2.gz LDUMIMZRKYAJQL-UHFFFAOYSA-N 2 2 266.389 2.276 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)cn1 ZINC000061322768 519908681 /nfs/dbraw/zinc/90/86/81/519908681.db2.gz QUDUMTWWPXZPPF-VHRNVKJDSA-N 2 2 274.412 2.280 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C)cn1 ZINC000061322768 519908682 /nfs/dbraw/zinc/90/86/82/519908682.db2.gz QUDUMTWWPXZPPF-VHRNVKJDSA-N 2 2 274.412 2.280 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061233417 519968440 /nfs/dbraw/zinc/96/84/40/519968440.db2.gz JAOHDENGURASME-VIFPVBQESA-N 2 2 260.341 2.055 10 0 CEAELP CC[NH2+]C[C@H](C)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417238 519969335 /nfs/dbraw/zinc/96/93/35/519969335.db2.gz ZSGYXDYKUUCSLV-ZDUSSCGKSA-N 2 2 292.423 2.308 10 0 CEAELP CC[NH2+]C[C@H](C)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417238 519969341 /nfs/dbraw/zinc/96/93/41/519969341.db2.gz ZSGYXDYKUUCSLV-ZDUSSCGKSA-N 2 2 292.423 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000052380326 519991457 /nfs/dbraw/zinc/99/14/57/519991457.db2.gz DSIIEOVBLKFREN-RYUDHWBXSA-N 2 2 266.385 2.307 10 0 CEAELP CCCO[C@H]1CCC[N@@H+]([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371508 520288556 /nfs/dbraw/zinc/28/85/56/520288556.db2.gz WWVIXMPBBZRWAH-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCCO[C@H]1CCC[N@H+]([C@@H](CC)C[NH2+]C2CC2)C1 ZINC000052371508 520288563 /nfs/dbraw/zinc/28/85/63/520288563.db2.gz WWVIXMPBBZRWAH-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CC1(C)COCC[N@@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052546110 520508191 /nfs/dbraw/zinc/50/81/91/520508191.db2.gz AHEWZOLCTRRCSE-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC1(C)COCC[N@H+]1Cc1ccoc1C[NH2+]C1CC1 ZINC000052546110 520508200 /nfs/dbraw/zinc/50/82/00/520508200.db2.gz AHEWZOLCTRRCSE-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069237397 520968494 /nfs/dbraw/zinc/96/84/94/520968494.db2.gz SEHFDRRKZRCNKF-ZDUSSCGKSA-N 2 2 262.353 2.147 10 0 CEAELP CC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069237397 520968501 /nfs/dbraw/zinc/96/85/01/520968501.db2.gz SEHFDRRKZRCNKF-ZDUSSCGKSA-N 2 2 262.353 2.147 10 0 CEAELP CCN(CC[N@@H+]1CCC[NH2+]CC1)c1ccccc1C ZINC000061274928 521044486 /nfs/dbraw/zinc/04/44/86/521044486.db2.gz UNQFRMUDKWNOTJ-UHFFFAOYSA-N 2 2 261.413 2.117 10 0 CEAELP CCN(CC[N@H+]1CCC[NH2+]CC1)c1ccccc1C ZINC000061274928 521044494 /nfs/dbraw/zinc/04/44/94/521044494.db2.gz UNQFRMUDKWNOTJ-UHFFFAOYSA-N 2 2 261.413 2.117 10 0 CEAELP CC[N@H+](Cc1csc(C[NH2+]C(C)C)n1)[C@H](C)COC ZINC000052504654 521443291 /nfs/dbraw/zinc/44/32/91/521443291.db2.gz RCZCUQRSUGKECX-GFCCVEGCSA-N 2 2 285.457 2.498 10 0 CEAELP CC[N@@H+](Cc1csc(C[NH2+]C(C)C)n1)[C@H](C)COC ZINC000052504654 521443298 /nfs/dbraw/zinc/44/32/98/521443298.db2.gz RCZCUQRSUGKECX-GFCCVEGCSA-N 2 2 285.457 2.498 10 0 CEAELP CC[NH+]1CCC([N@H+](C)CCC[NH2+]CC(C)C)CC1 ZINC000052543984 521561390 /nfs/dbraw/zinc/56/13/90/521561390.db2.gz SHHGTGBRJYVGQW-UHFFFAOYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)CCC[NH2+]CC(C)C)CC1 ZINC000052543984 521561394 /nfs/dbraw/zinc/56/13/94/521561394.db2.gz SHHGTGBRJYVGQW-UHFFFAOYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197546 521650463 /nfs/dbraw/zinc/65/04/63/521650463.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 3 2 269.477 2.283 10 0 CEAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197546 521650466 /nfs/dbraw/zinc/65/04/66/521650466.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 3 2 269.477 2.283 10 0 CEAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572287 522188490 /nfs/dbraw/zinc/18/84/90/522188490.db2.gz SDDALTOZTUTTJT-UONOGXRCSA-N 2 2 274.449 2.136 10 0 CEAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572287 522188499 /nfs/dbraw/zinc/18/84/99/522188499.db2.gz SDDALTOZTUTTJT-UONOGXRCSA-N 2 2 274.449 2.136 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)C(C)(C)CC ZINC000069427666 522345910 /nfs/dbraw/zinc/34/59/10/522345910.db2.gz NFVVVTMFJNCBAO-STQMWFEESA-N 2 2 252.406 2.319 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)C(C)(C)CC ZINC000069427666 522345920 /nfs/dbraw/zinc/34/59/20/522345920.db2.gz NFVVVTMFJNCBAO-STQMWFEESA-N 2 2 252.406 2.319 10 0 CEAELP C[NH2+][C@@](C)(C[C@H](C)n1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000068648750 522421422 /nfs/dbraw/zinc/42/14/22/522421422.db2.gz YIUJVQVLMNOAST-ZBEGNZNMSA-N 2 2 289.379 2.447 10 0 CEAELP COC(=O)[C@@H](c1ccccc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602198 523657512 /nfs/dbraw/zinc/65/75/12/523657512.db2.gz MVJUDMCSQWPAAM-WTXIUTQJSA-N 2 2 288.391 2.245 10 0 CEAELP COC(=O)[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602198 523657521 /nfs/dbraw/zinc/65/75/21/523657521.db2.gz MVJUDMCSQWPAAM-WTXIUTQJSA-N 2 2 288.391 2.245 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000156038503 524030116 /nfs/dbraw/zinc/03/01/16/524030116.db2.gz UUNKVNZEDUPTTP-NSHDSACASA-N 2 2 286.322 2.220 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1OC(F)F ZINC000156038503 524030119 /nfs/dbraw/zinc/03/01/19/524030119.db2.gz UUNKVNZEDUPTTP-NSHDSACASA-N 2 2 286.322 2.220 10 0 CEAELP Cc1ccc(C[N@H+](C)CC[NH2+]C2CCOCC2)cc1 ZINC000062767641 524390189 /nfs/dbraw/zinc/39/01/89/524390189.db2.gz UPUWBFALGNTKFN-UHFFFAOYSA-N 2 2 262.397 2.195 10 0 CEAELP Cc1ccc(C[N@@H+](C)CC[NH2+]C2CCOCC2)cc1 ZINC000062767641 524390197 /nfs/dbraw/zinc/39/01/97/524390197.db2.gz UPUWBFALGNTKFN-UHFFFAOYSA-N 2 2 262.397 2.195 10 0 CEAELP C[C@H](C[C@@](C)([NH3+])C(N)=O)[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648178 524629965 /nfs/dbraw/zinc/62/99/65/524629965.db2.gz QTUVMKMWVRQRFA-DVOMOZLQSA-N 2 2 283.460 2.116 10 0 CEAELP C[C@H](C[C@@](C)([NH3+])C(N)=O)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648178 524629977 /nfs/dbraw/zinc/62/99/77/524629977.db2.gz QTUVMKMWVRQRFA-DVOMOZLQSA-N 2 2 283.460 2.116 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757634 524853955 /nfs/dbraw/zinc/85/39/55/524853955.db2.gz AXLVMUURHFPUFY-APHBMKBZSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757634 524853967 /nfs/dbraw/zinc/85/39/67/524853967.db2.gz AXLVMUURHFPUFY-APHBMKBZSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]1COCC[N@@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476115 525126638 /nfs/dbraw/zinc/12/66/38/525126638.db2.gz UBGBTOBZAVLNOW-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1COCC[N@H+]1Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052476115 525126644 /nfs/dbraw/zinc/12/66/44/525126644.db2.gz UBGBTOBZAVLNOW-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP NC(=[NH2+])CC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000050884958 526816866 /nfs/dbraw/zinc/81/68/66/526816866.db2.gz WXAMHYNZDMRFPC-UHFFFAOYSA-N 2 2 253.296 2.255 10 0 CEAELP NC(=[NH2+])CC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000050884958 526816872 /nfs/dbraw/zinc/81/68/72/526816872.db2.gz WXAMHYNZDMRFPC-UHFFFAOYSA-N 2 2 253.296 2.255 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(-c2ccccc2)n1 ZINC000061641301 527147075 /nfs/dbraw/zinc/14/70/75/527147075.db2.gz OMXSKRYJZKLZQE-FUCXHRTASA-N 2 2 282.391 2.326 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(-c2ccccc2)n1 ZINC000061641301 527147078 /nfs/dbraw/zinc/14/70/78/527147078.db2.gz OMXSKRYJZKLZQE-FUCXHRTASA-N 2 2 282.391 2.326 10 0 CEAELP Cc1nc(N2CCC(C[NH2+]CC(C)C)CC2)cc[nH+]1 ZINC000054937547 527344762 /nfs/dbraw/zinc/34/47/62/527344762.db2.gz XXKWRTJAZKKTFK-UHFFFAOYSA-N 2 2 262.401 2.247 10 0 CEAELP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000384694281 574842083 /nfs/dbraw/zinc/84/20/83/574842083.db2.gz IZRBARXHANVEKB-OAHLLOKOSA-N 2 2 282.815 2.195 10 0 CEAELP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000384694281 574842085 /nfs/dbraw/zinc/84/20/85/574842085.db2.gz IZRBARXHANVEKB-OAHLLOKOSA-N 2 2 282.815 2.195 10 0 CEAELP OCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000399200593 628783953 /nfs/dbraw/zinc/78/39/53/628783953.db2.gz UEOAUJDJNKIHKN-OAHLLOKOSA-N 2 2 292.448 2.270 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000231670999 639872084 /nfs/dbraw/zinc/87/20/84/639872084.db2.gz RJWPXRDYFFJLDS-VIFPVBQESA-N 2 2 259.806 2.370 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)[C@H]1CCC[NH2+]CC1 ZINC000231670999 639872089 /nfs/dbraw/zinc/87/20/89/639872089.db2.gz RJWPXRDYFFJLDS-VIFPVBQESA-N 2 2 259.806 2.370 10 0 CEAELP Cc1cc(O)ccc1[C@@H]([NH3+])[C@@H]([NH3+])c1ccc(O)cc1C ZINC000138969439 344391724 /nfs/dbraw/zinc/39/17/24/344391724.db2.gz SZNJKCOXAQRLQK-IYBDPMFKSA-N 2 2 272.348 2.414 10 0 CEAELP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000085359945 179032644 /nfs/dbraw/zinc/03/26/44/179032644.db2.gz UKFGJJJZEVTGPO-OLZOCXBDSA-N 2 2 284.363 2.328 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085397834 179049969 /nfs/dbraw/zinc/04/99/69/179049969.db2.gz OWKCHZROBPVBSW-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085511456 179085647 /nfs/dbraw/zinc/08/56/47/179085647.db2.gz GXIGKLQKPVPWTQ-IAGOWNOFSA-N 2 2 290.455 2.434 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C1CC1 ZINC000085513637 179086297 /nfs/dbraw/zinc/08/62/97/179086297.db2.gz FKMUTVBWLYUBOR-SJORKVTESA-N 2 2 288.439 2.044 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085512262 179086305 /nfs/dbraw/zinc/08/63/05/179086305.db2.gz IRLAFZJSIIZGRP-ARFHVFGLSA-N 2 2 266.429 2.264 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085512262 179086306 /nfs/dbraw/zinc/08/63/06/179086306.db2.gz IRLAFZJSIIZGRP-ARFHVFGLSA-N 2 2 266.429 2.264 10 0 CEAELP CCC1(CC)CN(CCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000085516636 179087905 /nfs/dbraw/zinc/08/79/05/179087905.db2.gz JCHIIMCZVXTBGJ-CQSZACIVSA-N 2 2 264.417 2.126 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1CCCOC ZINC000085498595 179083143 /nfs/dbraw/zinc/08/31/43/179083143.db2.gz OXQJILOEKYOWCF-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1CCCOC ZINC000085498595 179083145 /nfs/dbraw/zinc/08/31/45/179083145.db2.gz OXQJILOEKYOWCF-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626532 179106993 /nfs/dbraw/zinc/10/69/93/179106993.db2.gz HFLITRMRVOMXIZ-SWLSCSKDSA-N 2 2 275.396 2.053 10 0 CEAELP COc1cccc(C[N@H+]2C[C@H](C3CC3)[NH2+]CC[C@@H]2C)n1 ZINC000085626532 179106995 /nfs/dbraw/zinc/10/69/95/179106995.db2.gz HFLITRMRVOMXIZ-SWLSCSKDSA-N 2 2 275.396 2.053 10 0 CEAELP CC(C)c1nc2c(n1[C@@H](C)Cn1cc[nH+]c1)CC[NH2+]C2 ZINC000085573564 179099697 /nfs/dbraw/zinc/09/96/97/179099697.db2.gz VGJVLMYVLLVEBF-LBPRGKRZSA-N 2 2 273.384 2.110 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336813867 365854825 /nfs/dbraw/zinc/85/48/25/365854825.db2.gz VTFWRBGHLSCMLL-LSDHHAIUSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000336813867 365854833 /nfs/dbraw/zinc/85/48/33/365854833.db2.gz VTFWRBGHLSCMLL-LSDHHAIUSA-N 2 2 262.397 2.494 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291438 179265436 /nfs/dbraw/zinc/26/54/36/179265436.db2.gz QSLSKMQMGJRCST-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291438 179265437 /nfs/dbraw/zinc/26/54/37/179265437.db2.gz QSLSKMQMGJRCST-GDBMZVCRSA-N 3 2 267.461 2.038 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)on1 ZINC000086292751 179266183 /nfs/dbraw/zinc/26/61/83/179266183.db2.gz BTTNFHQLCUNOPI-ZDUSSCGKSA-N 2 2 251.374 2.193 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)on1 ZINC000086292751 179266185 /nfs/dbraw/zinc/26/61/85/179266185.db2.gz BTTNFHQLCUNOPI-ZDUSSCGKSA-N 2 2 251.374 2.193 10 0 CEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594972 179310653 /nfs/dbraw/zinc/31/06/53/179310653.db2.gz LKZKLDQXUDUOOA-MFKMUULPSA-N 2 2 286.803 2.315 10 0 CEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594972 179310655 /nfs/dbraw/zinc/31/06/55/179310655.db2.gz LKZKLDQXUDUOOA-MFKMUULPSA-N 2 2 286.803 2.315 10 0 CEAELP CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@H+](CC)CCO1 ZINC000086654270 179316550 /nfs/dbraw/zinc/31/65/50/179316550.db2.gz OJIVXIHFRVVDPP-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP CCC[NH2+][C@H](Cc1ccccc1)[C@@H]1C[N@@H+](CC)CCO1 ZINC000086654270 179316551 /nfs/dbraw/zinc/31/65/51/179316551.db2.gz OJIVXIHFRVVDPP-SJORKVTESA-N 2 2 276.424 2.318 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840504 179352610 /nfs/dbraw/zinc/35/26/10/179352610.db2.gz WFWLECVRFUAXRL-LSDHHAIUSA-N 3 2 264.417 2.124 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000086840504 179352612 /nfs/dbraw/zinc/35/26/12/179352612.db2.gz WFWLECVRFUAXRL-LSDHHAIUSA-N 3 2 264.417 2.124 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842895 179353287 /nfs/dbraw/zinc/35/32/87/179353287.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842895 179353290 /nfs/dbraw/zinc/35/32/90/179353290.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842886 179353606 /nfs/dbraw/zinc/35/36/06/179353606.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000086842886 179353607 /nfs/dbraw/zinc/35/36/07/179353607.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP COc1c(C)c[nH+]c(C[C@]2([NH3+])CCCOCC2)c1C ZINC000086870390 179363528 /nfs/dbraw/zinc/36/35/28/179363528.db2.gz YEIRVQPCAMNYIO-HNNXBMFYSA-N 2 2 264.369 2.148 10 0 CEAELP CC[C@@H]1CCC[C@](C(=O)OC)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915575 179367111 /nfs/dbraw/zinc/36/71/11/179367111.db2.gz LEZZCOSONMPSRY-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@@H]1CCC[C@](C(=O)OC)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086915575 179367113 /nfs/dbraw/zinc/36/71/13/179367113.db2.gz LEZZCOSONMPSRY-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CCC[C@@H]1CCC[C@@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952243 179368807 /nfs/dbraw/zinc/36/88/07/179368807.db2.gz ATFRPCCYEIIOFE-HUUCEWRRSA-N 2 2 256.434 2.249 10 0 CEAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)c1c(F)cc(F)cc1F ZINC000086996563 179376725 /nfs/dbraw/zinc/37/67/25/179376725.db2.gz DCUJLFQTQGTABP-SNVBAGLBSA-N 2 2 255.243 2.330 10 0 CEAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616620568 348537066 /nfs/dbraw/zinc/53/70/66/348537066.db2.gz QSSAOAPUECGYOP-GFCCVEGCSA-N 2 2 294.399 2.114 10 0 CEAELP CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H](c2c[nH]c[nH+]2)C1 ZINC000616620568 348537068 /nfs/dbraw/zinc/53/70/68/348537068.db2.gz QSSAOAPUECGYOP-GFCCVEGCSA-N 2 2 294.399 2.114 10 0 CEAELP C[N@H+](Cc1ccccc1Cl)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606673 180011583 /nfs/dbraw/zinc/01/15/83/180011583.db2.gz XWRFRKFJAUDOPA-UONOGXRCSA-N 2 2 268.788 2.136 10 0 CEAELP C[N@@H+](Cc1ccccc1Cl)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606673 180011584 /nfs/dbraw/zinc/01/15/84/180011584.db2.gz XWRFRKFJAUDOPA-UONOGXRCSA-N 2 2 268.788 2.136 10 0 CEAELP Cc1c[nH+]c(N[C@@H](CC(C)C)C[NH+](C)C)c(N)c1 ZINC000090691014 180024900 /nfs/dbraw/zinc/02/49/00/180024900.db2.gz CMARKWLLWMWEEI-LBPRGKRZSA-N 2 2 250.390 2.360 10 0 CEAELP CC(C)c1nn(C)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720756 180031506 /nfs/dbraw/zinc/03/15/06/180031506.db2.gz AZWKGSWQQPQMPU-JSGCOSHPSA-N 2 2 264.417 2.116 10 0 CEAELP CC(C)c1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720756 180031508 /nfs/dbraw/zinc/03/15/08/180031508.db2.gz AZWKGSWQQPQMPU-JSGCOSHPSA-N 2 2 264.417 2.116 10 0 CEAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875316 180050650 /nfs/dbraw/zinc/05/06/50/180050650.db2.gz XHHKDTFSRNWPGP-SNPRPXQTSA-N 2 2 260.381 2.192 10 0 CEAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875316 180050653 /nfs/dbraw/zinc/05/06/53/180050653.db2.gz XHHKDTFSRNWPGP-SNPRPXQTSA-N 2 2 260.381 2.192 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892418 180053488 /nfs/dbraw/zinc/05/34/88/180053488.db2.gz UOUJEXLGVZGXBW-RISCZKNCSA-N 2 2 275.327 2.004 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897231 180056806 /nfs/dbraw/zinc/05/68/06/180056806.db2.gz MJESRGFIBNZFLF-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897231 180056808 /nfs/dbraw/zinc/05/68/08/180056808.db2.gz MJESRGFIBNZFLF-HOTGVXAUSA-N 2 2 274.408 2.372 10 0 CEAELP c1cn(CCCC[NH2+]Cc2c[nH]c3ncccc23)c[nH+]1 ZINC000091017739 180087016 /nfs/dbraw/zinc/08/70/16/180087016.db2.gz OKXUIANWDSEOFU-UHFFFAOYSA-N 2 2 269.352 2.329 10 0 CEAELP CC(C)n1c[nH+]cc1CN1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000091273039 180117887 /nfs/dbraw/zinc/11/78/87/180117887.db2.gz VYANSWJWVVPNRK-QWHCGFSZSA-N 2 2 250.390 2.166 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N1CCc2sccc2C1 ZINC000091276166 180118929 /nfs/dbraw/zinc/11/89/29/180118929.db2.gz FZCXOKYJIVJUPS-CYBMUJFWSA-N 2 2 288.420 2.338 10 0 CEAELP CC(C)[NH2+]Cc1cccc(OCc2c[nH+]cn2C)c1 ZINC000091278281 180121264 /nfs/dbraw/zinc/12/12/64/180121264.db2.gz FWZBRMRXXGVHPN-UHFFFAOYSA-N 2 2 259.353 2.497 10 0 CEAELP Cc1ccc(C[N@H+](C)CC[C@H]2CSCC[NH2+]2)o1 ZINC000091292020 180123412 /nfs/dbraw/zinc/12/34/12/180123412.db2.gz RUSYGKGZWDCLOC-LBPRGKRZSA-N 2 2 254.399 2.115 10 0 CEAELP Cc1ccc(C[N@@H+](C)CC[C@H]2CSCC[NH2+]2)o1 ZINC000091292020 180123413 /nfs/dbraw/zinc/12/34/13/180123413.db2.gz RUSYGKGZWDCLOC-LBPRGKRZSA-N 2 2 254.399 2.115 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1F)[N@H+](C)CC1CC(O)C1 ZINC000091463800 180162164 /nfs/dbraw/zinc/16/21/64/180162164.db2.gz OGMOYCSUNIFANI-TUHYSUIHSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccc1F)[N@@H+](C)CC1CC(O)C1 ZINC000091463800 180162166 /nfs/dbraw/zinc/16/21/66/180162166.db2.gz OGMOYCSUNIFANI-TUHYSUIHSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1F)[N@H+](C)CC1CC(O)C1 ZINC000091463799 180162545 /nfs/dbraw/zinc/16/25/45/180162545.db2.gz OGMOYCSUNIFANI-INCPQMAJSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccc1F)[N@@H+](C)CC1CC(O)C1 ZINC000091463799 180162546 /nfs/dbraw/zinc/16/25/46/180162546.db2.gz OGMOYCSUNIFANI-INCPQMAJSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(C)c1)[N@H+](C)CC1CC(O)C1 ZINC000091464206 180163350 /nfs/dbraw/zinc/16/33/50/180163350.db2.gz SJWKHCYPBDMPTG-KMZOKZLKSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(C)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091464206 180163351 /nfs/dbraw/zinc/16/33/51/180163351.db2.gz SJWKHCYPBDMPTG-KMZOKZLKSA-N 2 2 276.424 2.476 10 0 CEAELP CC[NH2+][C@@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+](CC)CC ZINC000091600396 180202280 /nfs/dbraw/zinc/20/22/80/180202280.db2.gz BONVNAJPKMRFII-JKSUJKDBSA-N 2 2 280.460 2.451 10 0 CEAELP CCC[NH2+][C@H](Cc1ncnn1C)[C@@](C)(CC)[NH+](CC)CC ZINC000091601504 180202987 /nfs/dbraw/zinc/20/29/87/180202987.db2.gz UIWMSHMJPHLYMY-GDBMZVCRSA-N 2 2 295.475 2.236 10 0 CEAELP CC[C@@](C)([C@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606083 180203879 /nfs/dbraw/zinc/20/38/79/180203879.db2.gz SLVGHALVQZDSSZ-HOCLYGCPSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCC1 ZINC000091609003 180205016 /nfs/dbraw/zinc/20/50/16/180205016.db2.gz BEHQXPMGCVWSFK-HOCLYGCPSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@](C)([C@@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091609003 180205019 /nfs/dbraw/zinc/20/50/19/180205019.db2.gz BEHQXPMGCVWSFK-HOCLYGCPSA-N 2 2 276.428 2.188 10 0 CEAELP CCn1ncnc1C[C@@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCCC1 ZINC000091610057 180205957 /nfs/dbraw/zinc/20/59/57/180205957.db2.gz RWYVQABUXGQXIV-ZBFHGGJFSA-N 2 2 293.459 2.083 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCC1 ZINC000091637933 180212214 /nfs/dbraw/zinc/21/22/14/180212214.db2.gz WCRSZDJATJAWRI-AWEZNQCLSA-N 3 2 276.428 2.059 10 0 CEAELP [NH3+][C@H](CCC[C@H]1CCCO1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643075 180213983 /nfs/dbraw/zinc/21/39/83/180213983.db2.gz YDHBDKUUONRBAU-JKSUJKDBSA-N 2 2 296.455 2.308 10 0 CEAELP C[NH+](C)C1(C(=O)Cc2cc[nH+]c(N)c2)CCCCCC1 ZINC000091653553 180216938 /nfs/dbraw/zinc/21/69/38/180216938.db2.gz OONOXVMVGXVFLE-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccc(OC)c(F)c1)C[NH+](C)C ZINC000091719898 180234003 /nfs/dbraw/zinc/23/40/03/180234003.db2.gz JQJLRYUNGOIUOO-ZDUSSCGKSA-N 2 2 268.376 2.307 10 0 CEAELP C[NH2+][C@H](c1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720954 180236380 /nfs/dbraw/zinc/23/63/80/180236380.db2.gz HOGBXXZTEGGSEY-BYCMXARLSA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720954 180236381 /nfs/dbraw/zinc/23/63/81/180236381.db2.gz HOGBXXZTEGGSEY-BYCMXARLSA-N 2 2 280.799 2.464 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cnn(C)c1)n1cc[nH+]c1-c1ccccc1 ZINC000105554334 186063273 /nfs/dbraw/zinc/06/32/73/186063273.db2.gz KKFFRHIVBAXZCC-IUODEOHRSA-N 2 2 281.363 2.220 10 0 CEAELP C[N@@H+]1CCO[C@@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723173 180242060 /nfs/dbraw/zinc/24/20/60/180242060.db2.gz URRCCMPMZCOJNO-LLVKDONJSA-N 2 2 269.414 2.034 10 0 CEAELP C[N@H+]1CCO[C@@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723173 180242063 /nfs/dbraw/zinc/24/20/63/180242063.db2.gz URRCCMPMZCOJNO-LLVKDONJSA-N 2 2 269.414 2.034 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C(C)C ZINC000092087580 180321594 /nfs/dbraw/zinc/32/15/94/180321594.db2.gz SNNKTLXWCRLUGN-LZWOXQAQSA-N 2 2 284.444 2.284 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C(C)C ZINC000092087580 180321596 /nfs/dbraw/zinc/32/15/96/180321596.db2.gz SNNKTLXWCRLUGN-LZWOXQAQSA-N 2 2 284.444 2.284 10 0 CEAELP c1cn(CC[NH2+]C[C@@H]2Cc3ccccc3S2)c[nH+]1 ZINC000092243080 180351819 /nfs/dbraw/zinc/35/18/19/180351819.db2.gz BCMBWGIJWBDVSE-ZDUSSCGKSA-N 2 2 259.378 2.190 10 0 CEAELP CCOCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922665 186090640 /nfs/dbraw/zinc/09/06/40/186090640.db2.gz BNQLFZBWGQLXET-CYBMUJFWSA-N 2 2 251.374 2.119 10 0 CEAELP CCOCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105922665 186090642 /nfs/dbraw/zinc/09/06/42/186090642.db2.gz BNQLFZBWGQLXET-CYBMUJFWSA-N 2 2 251.374 2.119 10 0 CEAELP CCNc1cccc(CN2CC[NH+]([C@H](C)CC)CC2)[nH+]1 ZINC000092370238 180369649 /nfs/dbraw/zinc/36/96/49/180369649.db2.gz PWCDJVIGWDJWCP-CQSZACIVSA-N 2 2 276.428 2.430 10 0 CEAELP CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555017 186262968 /nfs/dbraw/zinc/26/29/68/186262968.db2.gz YULANXIKPJDANA-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)CC[NH2+]1 ZINC000109555017 186262970 /nfs/dbraw/zinc/26/29/70/186262970.db2.gz YULANXIKPJDANA-AWEZNQCLSA-N 2 2 278.396 2.278 10 0 CEAELP CC[NH2+][C@H]1C(=O)Nc2cc(-n3cc[nH+]c3CC)ccc21 ZINC000109573056 186264160 /nfs/dbraw/zinc/26/41/60/186264160.db2.gz FOPPEBPTUOSGJW-CQSZACIVSA-N 2 2 270.336 2.037 10 0 CEAELP CC(C)[N@H+](Cc1cccs1)[C@@]1(C[NH3+])CCOC1 ZINC000109431698 186252476 /nfs/dbraw/zinc/25/24/76/186252476.db2.gz YJEBZQDLOXOPSD-CYBMUJFWSA-N 2 2 254.399 2.076 10 0 CEAELP CC(C)[N@@H+](Cc1cccs1)[C@@]1(C[NH3+])CCOC1 ZINC000109431698 186252477 /nfs/dbraw/zinc/25/24/77/186252477.db2.gz YJEBZQDLOXOPSD-CYBMUJFWSA-N 2 2 254.399 2.076 10 0 CEAELP C[C@@H]([NH2+]CC[NH+](C)C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550907 186303030 /nfs/dbraw/zinc/30/30/30/186303030.db2.gz RMLIKVCSPZROHA-KGLIPLIRSA-N 2 2 299.459 2.173 10 0 CEAELP C[C@@H]([NH3+])C1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000110649316 186309728 /nfs/dbraw/zinc/30/97/28/186309728.db2.gz ZIHXLHKNBKNZIC-SNVBAGLBSA-N 2 2 292.408 2.357 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000111043640 186347652 /nfs/dbraw/zinc/34/76/52/186347652.db2.gz OFCSJPGSIFQLHA-KWCYVHTRSA-N 2 2 259.353 2.249 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154058 186360577 /nfs/dbraw/zinc/36/05/77/186360577.db2.gz CWNSYMLHTVKMGI-MELADBBJSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@@H]([N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154058 186360579 /nfs/dbraw/zinc/36/05/79/186360579.db2.gz CWNSYMLHTVKMGI-MELADBBJSA-N 2 2 256.434 2.497 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111156430 186362063 /nfs/dbraw/zinc/36/20/63/186362063.db2.gz PMUKFHRLHKZBNX-FZMZJTMJSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111156430 186362065 /nfs/dbraw/zinc/36/20/65/186362065.db2.gz PMUKFHRLHKZBNX-FZMZJTMJSA-N 2 2 252.358 2.026 10 0 CEAELP CCOc1cccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111157585 186362344 /nfs/dbraw/zinc/36/23/44/186362344.db2.gz ZQZRALGLAOZOMX-WMLDXEAASA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1cccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111157585 186362345 /nfs/dbraw/zinc/36/23/45/186362345.db2.gz ZQZRALGLAOZOMX-WMLDXEAASA-N 2 2 292.423 2.444 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158740 186362896 /nfs/dbraw/zinc/36/28/96/186362896.db2.gz OWKZUWACOADUPB-QLFBSQMISA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158740 186362898 /nfs/dbraw/zinc/36/28/98/186362898.db2.gz OWKZUWACOADUPB-QLFBSQMISA-N 2 2 254.418 2.252 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116347 186354137 /nfs/dbraw/zinc/35/41/37/186354137.db2.gz BDHJIECEVPERET-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116347 186354139 /nfs/dbraw/zinc/35/41/39/186354139.db2.gz BDHJIECEVPERET-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117737 186355017 /nfs/dbraw/zinc/35/50/17/186355017.db2.gz JLCUOSGEMJACPI-HNNXBMFYSA-N 2 2 280.412 2.362 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117737 186355019 /nfs/dbraw/zinc/35/50/19/186355019.db2.gz JLCUOSGEMJACPI-HNNXBMFYSA-N 2 2 280.412 2.362 10 0 CEAELP CCOCC[N@H+](CC)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119102 186355324 /nfs/dbraw/zinc/35/53/24/186355324.db2.gz ZXPNHQZLCRRDRO-CQSZACIVSA-N 2 2 296.411 2.062 10 0 CEAELP CCOCC[N@@H+](CC)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119102 186355325 /nfs/dbraw/zinc/35/53/25/186355325.db2.gz ZXPNHQZLCRRDRO-CQSZACIVSA-N 2 2 296.411 2.062 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148232 186358554 /nfs/dbraw/zinc/35/85/54/186358554.db2.gz LBGXHPFTVWCDQM-HZPDHXFCSA-N 3 2 269.477 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148232 186358555 /nfs/dbraw/zinc/35/85/55/186358555.db2.gz LBGXHPFTVWCDQM-HZPDHXFCSA-N 3 2 269.477 2.428 10 0 CEAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@@H]1CCOc2ccccc21 ZINC000111185545 186366159 /nfs/dbraw/zinc/36/61/59/186366159.db2.gz RNLPQYZALFNIJZ-YPMHNXCESA-N 2 2 257.337 2.107 10 0 CEAELP [NH3+]C[C@H]([C@@H]1CCCOC1)[NH+]1CCC2(CCCC2)CC1 ZINC000111321272 186396892 /nfs/dbraw/zinc/39/68/92/186396892.db2.gz DNMMEBDBHHPMAL-HUUCEWRRSA-N 2 2 266.429 2.397 10 0 CEAELP COc1ccc[nH+]c1N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630094700 351616496 /nfs/dbraw/zinc/61/64/96/351616496.db2.gz WTESIOPYKUYKRU-NXEZZACHSA-N 2 2 289.301 2.054 10 0 CEAELP CO[C@@H]1C[N@H+](Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365023 351713053 /nfs/dbraw/zinc/71/30/53/351713053.db2.gz HHILLYGLTTXSSU-JKSUJKDBSA-N 2 2 262.397 2.242 10 0 CEAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)c(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630365023 351713056 /nfs/dbraw/zinc/71/30/56/351713056.db2.gz HHILLYGLTTXSSU-JKSUJKDBSA-N 2 2 262.397 2.242 10 0 CEAELP CC1(C)C[NH+](CC23CCC(CC2)[NH2+]3)CC(C)(C)O1 ZINC000675055991 540072978 /nfs/dbraw/zinc/07/29/78/540072978.db2.gz HENQGHYCKDWMQD-UHFFFAOYSA-N 2 2 252.402 2.160 10 0 CEAELP C[C@H]1CCCN(c2[nH+]c3ccccc3n2C)[C@@H]1C[NH3+] ZINC000079048726 538813118 /nfs/dbraw/zinc/81/31/18/538813118.db2.gz FDGHPOQDFCJHHJ-SMDDNHRTSA-N 2 2 258.369 2.137 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000178328992 189107778 /nfs/dbraw/zinc/10/77/78/189107778.db2.gz OLTIEDXXCDIWRW-SJORKVTESA-N 2 2 285.391 2.390 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000178328992 189107779 /nfs/dbraw/zinc/10/77/79/189107779.db2.gz OLTIEDXXCDIWRW-SJORKVTESA-N 2 2 285.391 2.390 10 0 CEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000245650372 370854055 /nfs/dbraw/zinc/85/40/55/370854055.db2.gz HDWIOGLLIKQQPU-KGLIPLIRSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000245650372 370854058 /nfs/dbraw/zinc/85/40/58/370854058.db2.gz HDWIOGLLIKQQPU-KGLIPLIRSA-N 2 2 270.380 2.003 10 0 CEAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[C@H]1CCC[N@@H+]1C)C2 ZINC000163005781 367211150 /nfs/dbraw/zinc/21/11/50/367211150.db2.gz XFYJVWMKBOFGFQ-CQSZACIVSA-N 2 2 290.455 2.386 10 0 CEAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[C@H]1CCC[N@H+]1C)C2 ZINC000163005781 367211151 /nfs/dbraw/zinc/21/11/51/367211151.db2.gz XFYJVWMKBOFGFQ-CQSZACIVSA-N 2 2 290.455 2.386 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000180838118 368398959 /nfs/dbraw/zinc/39/89/59/368398959.db2.gz CQXZCCDIHOITSN-HUUCEWRRSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000180838118 368398964 /nfs/dbraw/zinc/39/89/64/368398964.db2.gz CQXZCCDIHOITSN-HUUCEWRRSA-N 2 2 284.407 2.393 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1[nH+]ccc(OC)c1OC ZINC000190624877 369640977 /nfs/dbraw/zinc/64/09/77/369640977.db2.gz AAZFEYGNRUEUNF-CYBMUJFWSA-N 2 2 293.411 2.015 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1[nH+]ccc(OC)c1OC ZINC000190624877 369640981 /nfs/dbraw/zinc/64/09/81/369640981.db2.gz AAZFEYGNRUEUNF-CYBMUJFWSA-N 2 2 293.411 2.015 10 0 CEAELP C[N@@H+](Cc1ccc(Br)o1)C[C@H]1CCC[NH2+]C1 ZINC000220362567 370232437 /nfs/dbraw/zinc/23/24/37/370232437.db2.gz HUTLRSTYWWCQBJ-JTQLQIEISA-N 2 2 287.201 2.474 10 0 CEAELP C[N@H+](Cc1ccc(Br)o1)C[C@H]1CCC[NH2+]C1 ZINC000220362567 370232441 /nfs/dbraw/zinc/23/24/41/370232441.db2.gz HUTLRSTYWWCQBJ-JTQLQIEISA-N 2 2 287.201 2.474 10 0 CEAELP C[N@H+](Cc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231668300 370486013 /nfs/dbraw/zinc/48/60/13/370486013.db2.gz VTDJIDISPQKBIX-LLVKDONJSA-N 2 2 292.408 2.372 10 0 CEAELP C[N@@H+](Cc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000231668300 370486019 /nfs/dbraw/zinc/48/60/19/370486019.db2.gz VTDJIDISPQKBIX-LLVKDONJSA-N 2 2 292.408 2.372 10 0 CEAELP C[C@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247004007 371045581 /nfs/dbraw/zinc/04/55/81/371045581.db2.gz LUDVXDLPAISGLS-LQKXBSAESA-N 2 2 259.397 2.290 10 0 CEAELP C[C@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247004007 371045586 /nfs/dbraw/zinc/04/55/86/371045586.db2.gz LUDVXDLPAISGLS-LQKXBSAESA-N 2 2 259.397 2.290 10 0 CEAELP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248622555 371225099 /nfs/dbraw/zinc/22/50/99/371225099.db2.gz NPCCWJUTKHIROV-UMVBOHGHSA-N 2 2 271.368 2.317 10 0 CEAELP C[C@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248622555 371225104 /nfs/dbraw/zinc/22/51/04/371225104.db2.gz NPCCWJUTKHIROV-UMVBOHGHSA-N 2 2 271.368 2.317 10 0 CEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799385 371416609 /nfs/dbraw/zinc/41/66/09/371416609.db2.gz NVUZAYKSGKAUQA-CRAIPNDOSA-N 3 2 287.451 2.320 10 0 CEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799385 371416618 /nfs/dbraw/zinc/41/66/18/371416618.db2.gz NVUZAYKSGKAUQA-CRAIPNDOSA-N 3 2 287.451 2.320 10 0 CEAELP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779166 /nfs/dbraw/zinc/77/91/66/371779166.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779176 /nfs/dbraw/zinc/77/91/76/371779176.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779184 /nfs/dbraw/zinc/77/91/84/371779184.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779191 /nfs/dbraw/zinc/77/91/91/371779191.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 3 2 299.462 2.050 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261986668 371789267 /nfs/dbraw/zinc/78/92/67/371789267.db2.gz JVLSQUXIJYIETJ-DYVFJYSZSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261986668 371789274 /nfs/dbraw/zinc/78/92/74/371789274.db2.gz JVLSQUXIJYIETJ-DYVFJYSZSA-N 2 2 284.407 2.175 10 0 CEAELP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040461 371808598 /nfs/dbraw/zinc/80/85/98/371808598.db2.gz YGMTXTUUDONDGD-SECBINFHSA-N 2 2 290.333 2.345 10 0 CEAELP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000262040461 371808605 /nfs/dbraw/zinc/80/86/05/371808605.db2.gz YGMTXTUUDONDGD-SECBINFHSA-N 2 2 290.333 2.345 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)no1 ZINC000262206626 371837479 /nfs/dbraw/zinc/83/74/79/371837479.db2.gz LAUSYKCPQUNZQU-CQSZACIVSA-N 2 2 286.379 2.126 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)no1 ZINC000262206626 371837482 /nfs/dbraw/zinc/83/74/82/371837482.db2.gz LAUSYKCPQUNZQU-CQSZACIVSA-N 2 2 286.379 2.126 10 0 CEAELP [NH3+]Cc1nc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)no1 ZINC000262251315 371842454 /nfs/dbraw/zinc/84/24/54/371842454.db2.gz QCUPGFWDNMKGFA-HNNXBMFYSA-N 2 2 290.342 2.298 10 0 CEAELP COC(=O)C1CCC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000262711633 371899496 /nfs/dbraw/zinc/89/94/96/371899496.db2.gz PVPKDPDIJVPWNE-URGYJCLVSA-N 2 2 282.428 2.037 10 0 CEAELP COC(=O)C1CCC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000262711633 371899502 /nfs/dbraw/zinc/89/95/02/371899502.db2.gz PVPKDPDIJVPWNE-URGYJCLVSA-N 2 2 282.428 2.037 10 0 CEAELP C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000643470817 373139292 /nfs/dbraw/zinc/13/92/92/373139292.db2.gz GZUSZHRJWBKXQD-ZIAGYGMSSA-N 2 2 274.412 2.482 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)c1C ZINC000389283657 375301069 /nfs/dbraw/zinc/30/10/69/375301069.db2.gz VIEWRJIFOCTDGP-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)c1C ZINC000389283657 375301073 /nfs/dbraw/zinc/30/10/73/375301073.db2.gz VIEWRJIFOCTDGP-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP C[NH2+][C@H]([C@H]1CCCc2cccnc21)C(C)(C)[NH+](C)C ZINC000094137678 184756152 /nfs/dbraw/zinc/75/61/52/184756152.db2.gz MQQAVTXEDYPOAL-DZGCQCFKSA-N 2 2 261.413 2.430 10 0 CEAELP CCCn1c(C[C@@H](C[NH+](C)C)[NH2+]C)nc2ccccc21 ZINC000094171897 184759222 /nfs/dbraw/zinc/75/92/22/184759222.db2.gz YESJACWCZIUBAP-ZDUSSCGKSA-N 2 2 274.412 2.138 10 0 CEAELP COc1cc2[nH]c(CC3([NH3+])CCC3)[nH+]c2cc1OC ZINC000094291560 184776866 /nfs/dbraw/zinc/77/68/66/184776866.db2.gz NXGPATIJEBBNQE-UHFFFAOYSA-N 2 2 261.325 2.004 10 0 CEAELP COc1cccc(C[N@H+](C)[C@@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473403 184807423 /nfs/dbraw/zinc/80/74/23/184807423.db2.gz DRFGLSDPECWIIX-WFASDCNBSA-N 2 2 280.437 2.350 10 0 CEAELP COc1cccc(C[N@@H+](C)[C@@]2(C[NH3+])CS[C@@H](C)C2)c1 ZINC000094473403 184807424 /nfs/dbraw/zinc/80/74/24/184807424.db2.gz DRFGLSDPECWIIX-WFASDCNBSA-N 2 2 280.437 2.350 10 0 CEAELP C[C@H]1C[NH2+][C@@H](C2CC2)CN1c1ccc([NH+](C)C)cc1 ZINC000086219023 135039906 /nfs/dbraw/zinc/03/99/06/135039906.db2.gz RDUCPYBNVNSWMO-BLLLJJGKSA-N 2 2 259.397 2.329 10 0 CEAELP [NH3+]C1CCC([NH2+]c2ccc(N3CCOCC3)cc2)CC1 ZINC000094075122 135083191 /nfs/dbraw/zinc/08/31/91/135083191.db2.gz ZAORQIKHHPVCOE-UHFFFAOYSA-N 2 2 275.396 2.205 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132417 394551924 /nfs/dbraw/zinc/55/19/24/394551924.db2.gz ARTKZZCRLRUCOF-UONOGXRCSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000328132417 394551927 /nfs/dbraw/zinc/55/19/27/394551927.db2.gz ARTKZZCRLRUCOF-UONOGXRCSA-N 2 2 297.443 2.070 10 0 CEAELP Fc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188401903 153054756 /nfs/dbraw/zinc/05/47/56/153054756.db2.gz DHZDPNVOTOPDSZ-CYBMUJFWSA-N 2 2 260.316 2.082 10 0 CEAELP Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188401903 153054760 /nfs/dbraw/zinc/05/47/60/153054760.db2.gz DHZDPNVOTOPDSZ-CYBMUJFWSA-N 2 2 260.316 2.082 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000191805009 153189683 /nfs/dbraw/zinc/18/96/83/153189683.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 3 2 278.444 2.388 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000191805009 153189688 /nfs/dbraw/zinc/18/96/88/153189688.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 3 2 278.444 2.388 10 0 CEAELP Cc1ccc2[nH+]c(CN3CC[C@H](C)C[C@H]3C[NH3+])cn2c1 ZINC000261646440 292390403 /nfs/dbraw/zinc/39/04/03/292390403.db2.gz NWMCVBZWBGMZSE-WFASDCNBSA-N 2 2 272.396 2.202 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCOC(C)C ZINC000178331025 165234783 /nfs/dbraw/zinc/23/47/83/165234783.db2.gz OXXZVJHIDMUQJA-OAHLLOKOSA-N 2 2 265.401 2.471 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCOC(C)C ZINC000178331025 165234787 /nfs/dbraw/zinc/23/47/87/165234787.db2.gz OXXZVJHIDMUQJA-OAHLLOKOSA-N 2 2 265.401 2.471 10 0 CEAELP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000178862793 165264216 /nfs/dbraw/zinc/26/42/16/165264216.db2.gz HDCNHIJEYGNDNG-ZFWWWQNUSA-N 2 2 298.390 2.192 10 0 CEAELP C[NH+](C)[C@@H](C[NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000020400056 171181676 /nfs/dbraw/zinc/18/16/76/171181676.db2.gz JUXDCAJHFZSHAC-ZDUSSCGKSA-N 2 2 250.386 2.252 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@@H+](C)[C@@H]1CCSC1 ZINC000037174486 173008784 /nfs/dbraw/zinc/00/87/84/173008784.db2.gz VJJHUYQOCGCYRG-GHMZBOCLSA-N 2 2 256.440 2.494 10 0 CEAELP Cc1ccsc1[C@@H](C[NH3+])[N@H+](C)[C@@H]1CCSC1 ZINC000037174486 173008786 /nfs/dbraw/zinc/00/87/86/173008786.db2.gz VJJHUYQOCGCYRG-GHMZBOCLSA-N 2 2 256.440 2.494 10 0 CEAELP C[NH2+]C[C@H]1CCCN(Cc2cn3cccc(C)c3[nH+]2)C1 ZINC000040600595 174351134 /nfs/dbraw/zinc/35/11/34/174351134.db2.gz RDOYZOGIOGOBSJ-CQSZACIVSA-N 2 2 272.396 2.074 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000040600595 174351136 /nfs/dbraw/zinc/35/11/36/174351136.db2.gz RDOYZOGIOGOBSJ-CQSZACIVSA-N 2 2 272.396 2.074 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000040600595 174351137 /nfs/dbraw/zinc/35/11/37/174351137.db2.gz RDOYZOGIOGOBSJ-CQSZACIVSA-N 2 2 272.396 2.074 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(Br)o1 ZINC000040638623 174362946 /nfs/dbraw/zinc/36/29/46/174362946.db2.gz KOLGLCKDQOWDHX-UHFFFAOYSA-N 2 2 284.157 2.108 10 0 CEAELP Cc1cn2c(C[NH2+]CCc3[nH+]ccn3C)c(C)nc2s1 ZINC000040639076 174363029 /nfs/dbraw/zinc/36/30/29/174363029.db2.gz PSZRXMKIVWXKPA-UHFFFAOYSA-N 2 2 289.408 2.078 10 0 CEAELP COc1cc([C@@H](C)[NH2+]CCc2[nH+]ccn2C)ccc1O ZINC000040638781 174363184 /nfs/dbraw/zinc/36/31/84/174363184.db2.gz MLXHQPCYUFBNMR-LLVKDONJSA-N 2 2 275.352 2.028 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH2+]CCc1[nH+]ccn1C)CCO2 ZINC000040639311 174363655 /nfs/dbraw/zinc/36/36/55/174363655.db2.gz UGTDWKKEHKZEAQ-CQSZACIVSA-N 2 2 287.363 2.085 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])Cc2ccccc2)CC1 ZINC000040678715 174374934 /nfs/dbraw/zinc/37/49/34/174374934.db2.gz MXNHIAJDKPXRBX-HNNXBMFYSA-N 2 2 262.397 2.057 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000040689115 174376041 /nfs/dbraw/zinc/37/60/41/174376041.db2.gz IVCGNCDZQWCUJE-INIZCTEOSA-N 2 2 278.396 2.196 10 0 CEAELP CC(C)[NH+]1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746564 174391404 /nfs/dbraw/zinc/39/14/04/174391404.db2.gz DSGXSYVWOWYNGU-MZBDJJRSSA-N 3 2 265.445 2.074 10 0 CEAELP CC(C)[NH+]1CCC([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746564 174391406 /nfs/dbraw/zinc/39/14/06/174391406.db2.gz DSGXSYVWOWYNGU-MZBDJJRSSA-N 3 2 265.445 2.074 10 0 CEAELP C[C@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327206 175008855 /nfs/dbraw/zinc/00/88/55/175008855.db2.gz CSMRMIXTJYFMRS-MNOVXSKESA-N 2 2 254.324 2.237 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043345771 175016610 /nfs/dbraw/zinc/01/66/10/175016610.db2.gz GXKDWSCGFBHDDM-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043345771 175016612 /nfs/dbraw/zinc/01/66/12/175016612.db2.gz GXKDWSCGFBHDDM-OWCLPIDISA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353157 175020495 /nfs/dbraw/zinc/02/04/95/175020495.db2.gz BTZKELTVFORBMN-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353157 175020497 /nfs/dbraw/zinc/02/04/97/175020497.db2.gz BTZKELTVFORBMN-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811484 175110859 /nfs/dbraw/zinc/11/08/59/175110859.db2.gz GCAVOAQLPVBVFK-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811484 175110861 /nfs/dbraw/zinc/11/08/61/175110861.db2.gz GCAVOAQLPVBVFK-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811475 175111158 /nfs/dbraw/zinc/11/11/58/175111158.db2.gz CKLANGMEPUZGNY-QMIVOQANSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811475 175111159 /nfs/dbraw/zinc/11/11/59/175111159.db2.gz CKLANGMEPUZGNY-QMIVOQANSA-N 2 2 254.418 2.262 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818910 175113635 /nfs/dbraw/zinc/11/36/35/175113635.db2.gz NLDXYYXTQNAOCL-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818910 175113637 /nfs/dbraw/zinc/11/36/37/175113637.db2.gz NLDXYYXTQNAOCL-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](CC)C1CC1)OCCO2 ZINC000043822293 175114399 /nfs/dbraw/zinc/11/43/99/175114399.db2.gz SQKCRYPZMCHTBK-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](CC)C1CC1)OCCO2 ZINC000043822293 175114401 /nfs/dbraw/zinc/11/44/01/175114401.db2.gz SQKCRYPZMCHTBK-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[NH+](CC(C)C)CC(C)C ZINC000043909691 175123402 /nfs/dbraw/zinc/12/34/02/175123402.db2.gz GLFRQJDZANJZLA-CABCVRRESA-N 2 2 256.434 2.367 10 0 CEAELP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[NH+](CCOC)CCOC ZINC000043912887 175124246 /nfs/dbraw/zinc/12/42/46/175124246.db2.gz FTYPEMFICHGHLH-PMPSAXMXSA-N 2 2 286.460 2.138 10 0 CEAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1[N@H+](C)CCOC ZINC000043916097 175125030 /nfs/dbraw/zinc/12/50/30/175125030.db2.gz VOUIYVPCSTUJKY-IAGOWNOFSA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916097 175125031 /nfs/dbraw/zinc/12/50/31/175125031.db2.gz VOUIYVPCSTUJKY-IAGOWNOFSA-N 2 2 292.423 2.239 10 0 CEAELP C[NH2+][C@H](C[N@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915395 175125190 /nfs/dbraw/zinc/12/51/90/175125190.db2.gz BRJBWKGOLCIGJW-YYUOFMGYSA-N 2 2 280.456 2.369 10 0 CEAELP C[NH2+][C@H](C[N@@H+](C)CCOC)C12CC3CC(CC(C3)C1)C2 ZINC000043915395 175125192 /nfs/dbraw/zinc/12/51/92/175125192.db2.gz BRJBWKGOLCIGJW-YYUOFMGYSA-N 2 2 280.456 2.369 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](CC)C[C@@H]1CCCO1 ZINC000043966911 175127689 /nfs/dbraw/zinc/12/76/89/175127689.db2.gz RQYSYQBHSLASBH-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043966911 175127690 /nfs/dbraw/zinc/12/76/90/175127690.db2.gz RQYSYQBHSLASBH-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966676 175128173 /nfs/dbraw/zinc/12/81/73/175128173.db2.gz YNTHSNNBFWCVER-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966676 175128174 /nfs/dbraw/zinc/12/81/74/175128174.db2.gz YNTHSNNBFWCVER-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000044992701 175286742 /nfs/dbraw/zinc/28/67/42/175286742.db2.gz YZCFOFUFYYCLQL-KFWWJZLASA-N 2 2 254.418 2.144 10 0 CEAELP CCC[NH2+][C@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312669 /nfs/dbraw/zinc/31/26/69/175312669.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312671 /nfs/dbraw/zinc/31/26/71/175312671.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312672 /nfs/dbraw/zinc/31/26/72/175312672.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 3 2 281.488 2.427 10 0 CEAELP CCC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312674 /nfs/dbraw/zinc/31/26/74/175312674.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 3 2 281.488 2.427 10 0 CEAELP COC(=O)[C@@](C)(CCCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375291 175366639 /nfs/dbraw/zinc/36/66/39/175366639.db2.gz QLRBIBYQILHGSD-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)c1cccc(C)c1 ZINC000045420040 175378558 /nfs/dbraw/zinc/37/85/58/175378558.db2.gz MRZUBDONKULHDQ-MRXNPFEDSA-N 2 2 277.412 2.194 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH3+])C(N)=O)c1cccc(C)c1 ZINC000045420040 175378559 /nfs/dbraw/zinc/37/85/59/175378559.db2.gz MRZUBDONKULHDQ-MRXNPFEDSA-N 2 2 277.412 2.194 10 0 CEAELP CC[C@@H]1C[C@@](C[NH3+])([N@@H+]2CCOc3ccccc3C2)CCO1 ZINC000070366356 175895693 /nfs/dbraw/zinc/89/56/93/175895693.db2.gz OMIKMNASDMGBMW-WBVHZDCISA-N 2 2 290.407 2.168 10 0 CEAELP CC[C@@H]1C[C@@](C[NH3+])([N@H+]2CCOc3ccccc3C2)CCO1 ZINC000070366356 175895694 /nfs/dbraw/zinc/89/56/94/175895694.db2.gz OMIKMNASDMGBMW-WBVHZDCISA-N 2 2 290.407 2.168 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090853 176031288 /nfs/dbraw/zinc/03/12/88/176031288.db2.gz CCONAKFKXOXOET-RHSMWYFYSA-N 2 2 274.408 2.374 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091572 176032078 /nfs/dbraw/zinc/03/20/78/176032078.db2.gz KSUWRYVTEOFNLL-MRXNPFEDSA-N 2 2 262.397 2.361 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071091572 176032079 /nfs/dbraw/zinc/03/20/79/176032079.db2.gz KSUWRYVTEOFNLL-MRXNPFEDSA-N 2 2 262.397 2.361 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOCC2(C)C)C1 ZINC000071123759 176035210 /nfs/dbraw/zinc/03/52/10/176035210.db2.gz RRJYBNKHNSCKHA-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOCC2(C)C)C1 ZINC000071123759 176035212 /nfs/dbraw/zinc/03/52/12/176035212.db2.gz RRJYBNKHNSCKHA-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191516 176069281 /nfs/dbraw/zinc/06/92/81/176069281.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191516 176069282 /nfs/dbraw/zinc/06/92/82/176069282.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191516 176069283 /nfs/dbraw/zinc/06/92/83/176069283.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191516 176069285 /nfs/dbraw/zinc/06/92/85/176069285.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 3 2 269.477 2.142 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191307 176069904 /nfs/dbraw/zinc/06/99/04/176069904.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191307 176069905 /nfs/dbraw/zinc/06/99/05/176069905.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191307 176069906 /nfs/dbraw/zinc/06/99/06/176069906.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191307 176069907 /nfs/dbraw/zinc/06/99/07/176069907.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199350 176077132 /nfs/dbraw/zinc/07/71/32/176077132.db2.gz VVNMGPQAXVDVNB-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199350 176077133 /nfs/dbraw/zinc/07/71/33/176077133.db2.gz VVNMGPQAXVDVNB-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199358 176077250 /nfs/dbraw/zinc/07/72/50/176077250.db2.gz GCDZNPCVJMYPOG-CVEARBPZSA-N 2 2 274.408 2.453 10 0 CEAELP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000071199358 176077251 /nfs/dbraw/zinc/07/72/51/176077251.db2.gz GCDZNPCVJMYPOG-CVEARBPZSA-N 2 2 274.408 2.453 10 0 CEAELP CC[C@@H](C)[C@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000071342596 176130593 /nfs/dbraw/zinc/13/05/93/176130593.db2.gz PQRCPGVGSHMIBB-UKRRQHHQSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000071342596 176130595 /nfs/dbraw/zinc/13/05/95/176130595.db2.gz PQRCPGVGSHMIBB-UKRRQHHQSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H](C)[C@H]1CNC(C)(C)C[N@H+]1CCn1cc[nH+]c1C ZINC000071342596 176130597 /nfs/dbraw/zinc/13/05/97/176130597.db2.gz PQRCPGVGSHMIBB-UKRRQHHQSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@]1(C)C[N@H+](CCOC)C2(CCCCC2)C[NH2+]1 ZINC000071358038 176137942 /nfs/dbraw/zinc/13/79/42/176137942.db2.gz UYQFHTGZGZFEIR-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[N@@H+](CCOC)C2(CCCCC2)C[NH2+]1 ZINC000071358038 176137944 /nfs/dbraw/zinc/13/79/44/176137944.db2.gz UYQFHTGZGZFEIR-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP COc1cc([C@@H](C[NH3+])[N@H+](C)C(C)C)c(OC)cc1C ZINC000076375189 177010788 /nfs/dbraw/zinc/01/07/88/177010788.db2.gz GPIZKHKKSJZHRV-CYBMUJFWSA-N 2 2 266.385 2.352 10 0 CEAELP COc1cc([C@@H](C[NH3+])[N@@H+](C)C(C)C)c(OC)cc1C ZINC000076375189 177010789 /nfs/dbraw/zinc/01/07/89/177010789.db2.gz GPIZKHKKSJZHRV-CYBMUJFWSA-N 2 2 266.385 2.352 10 0 CEAELP Fc1ccc(Br)cc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000259102059 270329382 /nfs/dbraw/zinc/32/93/82/270329382.db2.gz SDVVTUUPWOXERW-NSHDSACASA-N 2 2 287.176 2.082 10 0 CEAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000245874159 277105564 /nfs/dbraw/zinc/10/55/64/277105564.db2.gz LXOTVEZEZVELPZ-ZNMIVQPWSA-N 2 2 291.395 2.079 10 0 CEAELP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000245874159 277105566 /nfs/dbraw/zinc/10/55/66/277105566.db2.gz LXOTVEZEZVELPZ-ZNMIVQPWSA-N 2 2 291.395 2.079 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880291 280263795 /nfs/dbraw/zinc/26/37/95/280263795.db2.gz KUBPGLBBYPXAQH-CJNGLKHVSA-N 2 2 262.397 2.314 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880291 280263796 /nfs/dbraw/zinc/26/37/96/280263796.db2.gz KUBPGLBBYPXAQH-CJNGLKHVSA-N 2 2 262.397 2.314 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503875 519926980 /nfs/dbraw/zinc/92/69/80/519926980.db2.gz QMLWBZZHMVCEOK-UONOGXRCSA-N 2 2 283.441 2.122 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503875 519926985 /nfs/dbraw/zinc/92/69/85/519926985.db2.gz QMLWBZZHMVCEOK-UONOGXRCSA-N 2 2 283.441 2.122 10 0 CEAELP CCC[NH2+][C@](C)(C[C@H](C)n1c[nH+]c(C)c1C)C(=O)OC ZINC000068650056 520117196 /nfs/dbraw/zinc/11/71/96/520117196.db2.gz GRGIZDGEALUWFT-XHDPSFHLSA-N 2 2 281.400 2.382 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCOCC2(C)C)CCOCC1 ZINC000052183440 518754329 /nfs/dbraw/zinc/75/43/29/518754329.db2.gz POCZCAQYFXAZIF-UHFFFAOYSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)(C)[NH2+]CC1(C[N@H+]2CCOCC2(C)C)CCOCC1 ZINC000052183440 518754337 /nfs/dbraw/zinc/75/43/37/518754337.db2.gz POCZCAQYFXAZIF-UHFFFAOYSA-N 2 2 298.471 2.282 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049555484 519342284 /nfs/dbraw/zinc/34/22/84/519342284.db2.gz IENZHONZQZGUBZ-KFWWJZLASA-N 2 2 256.434 2.246 10 0 CEAELP CC(C)[NH+](CCNc1cc[nH+]c(C(N)=S)c1)C(C)C ZINC000061811877 519648341 /nfs/dbraw/zinc/64/83/41/519648341.db2.gz YLXCWYKUSJWRQD-UHFFFAOYSA-N 2 2 280.441 2.247 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@@H+]2CCOC(C)(C)C2)C1 ZINC000054555123 519803464 /nfs/dbraw/zinc/80/34/64/519803464.db2.gz SCRAVURLFIJJBC-HZSPNIEDSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H]([N@H+]2CCOC(C)(C)C2)C1 ZINC000054555123 519803465 /nfs/dbraw/zinc/80/34/65/519803465.db2.gz SCRAVURLFIJJBC-HZSPNIEDSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]CC1(O)CCCCCC1 ZINC000049204483 519814442 /nfs/dbraw/zinc/81/44/42/519814442.db2.gz QEPRVTSEAUXJIK-AWEZNQCLSA-N 2 2 256.434 2.248 10 0 CEAELP CCC[NH+]1CCC(Nc2cc[nH+]c(C(N)=S)c2)CC1 ZINC000061812981 519847894 /nfs/dbraw/zinc/84/78/94/519847894.db2.gz LLCMAOGVVCPQGH-UHFFFAOYSA-N 2 2 278.425 2.002 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CC[NH+](C)C ZINC000054629720 519908665 /nfs/dbraw/zinc/90/86/65/519908665.db2.gz AHDXMHNHQVFFCP-HNSVSWJLSA-N 3 2 267.461 2.322 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CC[NH+](C)C ZINC000054629720 519908667 /nfs/dbraw/zinc/90/86/67/519908667.db2.gz AHDXMHNHQVFFCP-HNSVSWJLSA-N 3 2 267.461 2.322 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC000054628922 519908918 /nfs/dbraw/zinc/90/89/18/519908918.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC000054628922 519908920 /nfs/dbraw/zinc/90/89/20/519908920.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC000054628922 519908924 /nfs/dbraw/zinc/90/89/24/519908924.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC000054628922 519908926 /nfs/dbraw/zinc/90/89/26/519908926.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 3 2 279.472 2.323 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC000054602543 519910057 /nfs/dbraw/zinc/91/00/57/519910057.db2.gz VKHOPADPHVKWSA-AGUYFDCRSA-N 2 2 263.385 2.478 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC000054602543 519910059 /nfs/dbraw/zinc/91/00/59/519910059.db2.gz VKHOPADPHVKWSA-AGUYFDCRSA-N 2 2 263.385 2.478 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069074433 520082066 /nfs/dbraw/zinc/08/20/66/520082066.db2.gz PMAAWEVEJOEXPD-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@H](C[N@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069074433 520082078 /nfs/dbraw/zinc/08/20/78/520082078.db2.gz PMAAWEVEJOEXPD-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H](C)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000061274931 520171740 /nfs/dbraw/zinc/17/17/40/520171740.db2.gz JUJYQFWKCWQZKA-CQSZACIVSA-N 2 2 279.403 2.336 10 0 CEAELP CCNc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000052717073 520270856 /nfs/dbraw/zinc/27/08/56/520270856.db2.gz VNHXZUVRAQQLFM-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000052717073 520270865 /nfs/dbraw/zinc/27/08/65/520270865.db2.gz VNHXZUVRAQQLFM-UHFFFAOYSA-N 2 2 262.401 2.039 10 0 CEAELP CCOC(=O)[C@@](Cn1c[nH+]c(C)c1C)([NH2+]C(C)C)C1CC1 ZINC000069193943 521169699 /nfs/dbraw/zinc/16/96/99/521169699.db2.gz VKRSRORBJZPKIQ-INIZCTEOSA-N 2 2 293.411 2.210 10 0 CEAELP CCOC(=O)[C@H](CCn1cc[nH+]c1C(C)C)[NH2+]C1CC1 ZINC000062534446 521249678 /nfs/dbraw/zinc/24/96/78/521249678.db2.gz ZCFBUGSRJGGHMR-ZDUSSCGKSA-N 2 2 279.384 2.080 10 0 CEAELP CC[C@H](C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068694497 522008091 /nfs/dbraw/zinc/00/80/91/522008091.db2.gz DMMGKEKVDRFZGY-DZGCQCFKSA-N 2 2 272.396 2.154 10 0 CEAELP C[NH2+]C[C@H]1OCC[N@H+](C(C)C)[C@@H]1c1cccc(C)c1 ZINC000070288842 522099172 /nfs/dbraw/zinc/09/91/72/522099172.db2.gz RSFMKHMTINRYQP-HZPDHXFCSA-N 2 2 262.397 2.365 10 0 CEAELP C[NH2+]C[C@H]1OCC[N@@H+](C(C)C)[C@@H]1c1cccc(C)c1 ZINC000070288842 522099179 /nfs/dbraw/zinc/09/91/79/522099179.db2.gz RSFMKHMTINRYQP-HZPDHXFCSA-N 2 2 262.397 2.365 10 0 CEAELP CN(C)c1nc(N(CCC[NH3+])c2ccccc2)cc[nH+]1 ZINC000068689988 522360700 /nfs/dbraw/zinc/36/07/00/522360700.db2.gz ZMAAZHCGBFUZLJ-UHFFFAOYSA-N 2 2 271.368 2.030 10 0 CEAELP C[NH2+][C@H](CN1CCn2cc[nH+]c2C1)c1ccc(C)c(C)c1 ZINC000062250519 522468058 /nfs/dbraw/zinc/46/80/58/522468058.db2.gz LSWPZUUNNUVQCB-MRXNPFEDSA-N 2 2 284.407 2.276 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2ccc3ncccc3c2)CC1 ZINC000069502437 522707081 /nfs/dbraw/zinc/70/70/81/522707081.db2.gz ICLVUJBVYASGMS-QGZVFWFLSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@H+](Cc1ccccc1F)Cc1cccnc1C[NH3+] ZINC000061656587 523374160 /nfs/dbraw/zinc/37/41/60/523374160.db2.gz FTLZFPHMXZVHNS-UHFFFAOYSA-N 2 2 259.328 2.311 10 0 CEAELP C[N@@H+](Cc1ccccc1F)Cc1cccnc1C[NH3+] ZINC000061656587 523374168 /nfs/dbraw/zinc/37/41/68/523374168.db2.gz FTLZFPHMXZVHNS-UHFFFAOYSA-N 2 2 259.328 2.311 10 0 CEAELP C[N@@H+](Cc1csc(C[NH3+])n1)Cc1cccs1 ZINC000052456255 523525718 /nfs/dbraw/zinc/52/57/18/523525718.db2.gz GIVFDGYXBLPVBH-UHFFFAOYSA-N 2 2 253.396 2.295 10 0 CEAELP C[N@H+](Cc1csc(C[NH3+])n1)Cc1cccs1 ZINC000052456255 523525723 /nfs/dbraw/zinc/52/57/23/523525723.db2.gz GIVFDGYXBLPVBH-UHFFFAOYSA-N 2 2 253.396 2.295 10 0 CEAELP COCC[N@H+]([C@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542343 523782505 /nfs/dbraw/zinc/78/25/05/523782505.db2.gz GHIGDHSIRRBGJO-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@@H+]([C@H](C[NH2+]CC(C)C)C(C)C)C1CC1 ZINC000052542343 523782507 /nfs/dbraw/zinc/78/25/07/523782507.db2.gz GHIGDHSIRRBGJO-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[NH2+]Cc1cc2ccccc2nc1-n1cc[nH+]c1 ZINC000062738565 523951930 /nfs/dbraw/zinc/95/19/30/523951930.db2.gz KCMOHYPSSUKURH-UHFFFAOYSA-N 2 2 282.347 2.157 10 0 CEAELP Cc1ccccc1CSCC[NH2+]CC[NH+](C)C ZINC000054964943 525183832 /nfs/dbraw/zinc/18/38/32/525183832.db2.gz ZCJRVGSEGYZFDZ-UHFFFAOYSA-N 2 2 252.427 2.379 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@@H+]1CCOC(C)(C)C1 ZINC000054018298 525423124 /nfs/dbraw/zinc/42/31/24/525423124.db2.gz QRNDYELOAQWDAX-OAHLLOKOSA-N 2 2 262.397 2.496 10 0 CEAELP Cc1ccccc1[C@H]([NH3+])CC[N@H+]1CCOC(C)(C)C1 ZINC000054018298 525423131 /nfs/dbraw/zinc/42/31/31/525423131.db2.gz QRNDYELOAQWDAX-OAHLLOKOSA-N 2 2 262.397 2.496 10 0 CEAELP Cc1cc[nH+]c(NCC[C@@H](C)[NH3+])c1Br ZINC000235157641 525691551 /nfs/dbraw/zinc/69/15/51/525691551.db2.gz KLRUUBOPNJQAHS-MRVPVSSYSA-N 2 2 258.163 2.302 10 0 CEAELP Cc1oc(C[NH+]2CCOCC2)cc1C[NH2+]CC(C)C ZINC000052377773 526770848 /nfs/dbraw/zinc/77/08/48/526770848.db2.gz JPYGSNUESSXKNW-UHFFFAOYSA-N 2 2 266.385 2.166 10 0 CEAELP NC(=[NH2+])c1cc(Cn2cc[nH+]c2-c2ccccc2)ccn1 ZINC000068762114 526821208 /nfs/dbraw/zinc/82/12/08/526821208.db2.gz ALXANSGPBQIDAM-UHFFFAOYSA-N 2 2 277.331 2.277 10 0 CEAELP FC(F)(F)CC[NH2+]C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000063101421 527666206 /nfs/dbraw/zinc/66/62/06/527666206.db2.gz NAJLILIGFRQOKW-AXFHLTTASA-N 2 2 250.308 2.449 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261549053 623369572 /nfs/dbraw/zinc/36/95/72/623369572.db2.gz FXHNTSXFTXIBBA-JOYOIKCWSA-N 2 2 258.287 2.484 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261549053 623369581 /nfs/dbraw/zinc/36/95/81/623369581.db2.gz FXHNTSXFTXIBBA-JOYOIKCWSA-N 2 2 258.287 2.484 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1cccnc1=S ZINC000176083723 624008590 /nfs/dbraw/zinc/00/85/90/624008590.db2.gz IAAFOXYSNLWPRC-ZDUSSCGKSA-N 2 2 289.408 2.240 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cccnc1=S ZINC000176083723 624008599 /nfs/dbraw/zinc/00/85/99/624008599.db2.gz IAAFOXYSNLWPRC-ZDUSSCGKSA-N 2 2 289.408 2.240 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1ncc(Cl)c1C ZINC000156757993 639388722 /nfs/dbraw/zinc/38/87/22/639388722.db2.gz WVHDPCIBZIVBSQ-CYBMUJFWSA-N 2 2 293.802 2.472 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ncc(Cl)c1C ZINC000156757993 639388730 /nfs/dbraw/zinc/38/87/30/639388730.db2.gz WVHDPCIBZIVBSQ-CYBMUJFWSA-N 2 2 293.802 2.472 10 0 CEAELP CCCCC[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668493 639870297 /nfs/dbraw/zinc/87/02/97/639870297.db2.gz DDSRNRFLTVAJKO-HUUCEWRRSA-N 2 2 283.460 2.145 10 0 CEAELP CCCCC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231668493 639870303 /nfs/dbraw/zinc/87/03/03/639870303.db2.gz DDSRNRFLTVAJKO-HUUCEWRRSA-N 2 2 283.460 2.145 10 0 CEAELP CCC1CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000133903290 652742995 /nfs/dbraw/zinc/74/29/95/652742995.db2.gz OOKFZPVYIFYHBV-VXGQWTEUSA-N 2 2 254.418 2.312 10 0 CEAELP Clc1ccc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000034400079 361788569 /nfs/dbraw/zinc/78/85/69/361788569.db2.gz BFWOBKVXTNMUNK-OAHLLOKOSA-N 2 2 279.815 2.436 10 0 CEAELP Cc1cccc(NCC[NH2+][C@H]2C[NH+]3CCC2CC3)c1 ZINC000039043627 343435488 /nfs/dbraw/zinc/43/54/88/343435488.db2.gz NBGQPOCSQPKDDI-INIZCTEOSA-N 2 2 259.397 2.091 10 0 CEAELP Clc1c[nH]c2[nH+]ccc(N[C@@H]3CCC[NH2+]C3)c12 ZINC000584620055 344967411 /nfs/dbraw/zinc/96/74/11/344967411.db2.gz BSYAQFJWCCUBBO-MRVPVSSYSA-N 2 2 250.733 2.380 10 0 CEAELP O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000054306534 362525285 /nfs/dbraw/zinc/52/52/85/362525285.db2.gz SDNIIQVRRLBYJE-CYBMUJFWSA-N 2 2 284.363 2.201 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403841 179052963 /nfs/dbraw/zinc/05/29/63/179052963.db2.gz DJQLGZRAHUUESS-QGZVFWFLSA-N 3 2 290.455 2.436 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403841 179052964 /nfs/dbraw/zinc/05/29/64/179052964.db2.gz DJQLGZRAHUUESS-QGZVFWFLSA-N 3 2 290.455 2.436 10 0 CEAELP COCC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000085486738 179080086 /nfs/dbraw/zinc/08/00/86/179080086.db2.gz SFQLZPIPFNNVRJ-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP COCC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]C[C@@]1(C)C1CC1 ZINC000085486738 179080088 /nfs/dbraw/zinc/08/00/88/179080088.db2.gz SFQLZPIPFNNVRJ-ZFWWWQNUSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085497633 179082902 /nfs/dbraw/zinc/08/29/02/179082902.db2.gz KPSXDAZKJWNAHG-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CCOCC1 ZINC000085497633 179082903 /nfs/dbraw/zinc/08/29/03/179082903.db2.gz KPSXDAZKJWNAHG-ZDUSSCGKSA-N 2 2 252.402 2.020 10 0 CEAELP Cn1cc(C[N@@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000085615423 179104204 /nfs/dbraw/zinc/10/42/04/179104204.db2.gz YNHJIZOAIUEMBK-INIZCTEOSA-N 2 2 276.428 2.164 10 0 CEAELP Cn1cc(C[N@H+]2CCC[NH2+][C@H](C3CCCCC3)C2)cn1 ZINC000085615423 179104208 /nfs/dbraw/zinc/10/42/08/179104208.db2.gz YNHJIZOAIUEMBK-INIZCTEOSA-N 2 2 276.428 2.164 10 0 CEAELP CCC1(CC)C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085617470 179104685 /nfs/dbraw/zinc/10/46/85/179104685.db2.gz HEENUTSRSHSXKL-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085617470 179104686 /nfs/dbraw/zinc/10/46/86/179104686.db2.gz HEENUTSRSHSXKL-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623231 179105908 /nfs/dbraw/zinc/10/59/08/179105908.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 3 2 276.428 2.188 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623231 179105909 /nfs/dbraw/zinc/10/59/09/179105909.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 3 2 276.428 2.188 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCCOCC(F)(F)F ZINC000085622633 179106088 /nfs/dbraw/zinc/10/60/88/179106088.db2.gz IACSZORFRWNNKF-NSHDSACASA-N 2 2 282.350 2.418 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1CCCOCC(F)(F)F ZINC000085622633 179106089 /nfs/dbraw/zinc/10/60/89/179106089.db2.gz IACSZORFRWNNKF-NSHDSACASA-N 2 2 282.350 2.418 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674130 179111688 /nfs/dbraw/zinc/11/16/88/179111688.db2.gz MCZASCKCECBAPO-RQJABVFESA-N 2 2 263.385 2.065 10 0 CEAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635105 179109408 /nfs/dbraw/zinc/10/94/08/179109408.db2.gz GAZGCZJUZIMFOE-AJNGGQMLSA-N 2 2 268.445 2.366 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336808580 365844489 /nfs/dbraw/zinc/84/44/89/365844489.db2.gz CJEJFIZRLQPHQS-GDBMZVCRSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336808580 365844495 /nfs/dbraw/zinc/84/44/95/365844495.db2.gz CJEJFIZRLQPHQS-GDBMZVCRSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336813863 365854960 /nfs/dbraw/zinc/85/49/60/365854960.db2.gz VTFWRBGHLSCMLL-CABCVRRESA-N 2 2 262.397 2.494 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000336813863 365854965 /nfs/dbraw/zinc/85/49/65/365854965.db2.gz VTFWRBGHLSCMLL-CABCVRRESA-N 2 2 262.397 2.494 10 0 CEAELP C[NH2+][C@H](Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000085798783 179173040 /nfs/dbraw/zinc/17/30/40/179173040.db2.gz HNBOTEIDLAPPGE-LLVKDONJSA-N 2 2 289.192 2.280 10 0 CEAELP CC[C@@H](C)[C@@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175568 179245434 /nfs/dbraw/zinc/24/54/34/179245434.db2.gz BQYYNBVYBDMJBW-ILXRZTDVSA-N 2 2 278.444 2.265 10 0 CEAELP CC[C@H](C)[C@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086175571 179245444 /nfs/dbraw/zinc/24/54/44/179245444.db2.gz BQYYNBVYBDMJBW-ZNMIVQPWSA-N 2 2 278.444 2.265 10 0 CEAELP C[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291460 179265648 /nfs/dbraw/zinc/26/56/48/179265648.db2.gz PNEONAYHTSYYAM-HNNXBMFYSA-N 3 2 267.461 2.038 10 0 CEAELP C[NH+]1CCC(C[N@H+]2CCC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086291460 179265651 /nfs/dbraw/zinc/26/56/51/179265651.db2.gz PNEONAYHTSYYAM-HNNXBMFYSA-N 3 2 267.461 2.038 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)ccn1 ZINC000086296361 179267312 /nfs/dbraw/zinc/26/73/12/179267312.db2.gz HBGLVQAQMRHCGX-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)ccn1 ZINC000086296361 179267315 /nfs/dbraw/zinc/26/73/15/179267315.db2.gz HBGLVQAQMRHCGX-CQSZACIVSA-N 2 2 277.412 2.300 10 0 CEAELP CCC(CC)(CC)NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000086643058 179315938 /nfs/dbraw/zinc/31/59/38/179315938.db2.gz UTFBGBOAKHUAOY-OAHLLOKOSA-N 2 2 295.471 2.288 10 0 CEAELP CCC(CC)(CC)NC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000086643058 179315939 /nfs/dbraw/zinc/31/59/39/179315939.db2.gz UTFBGBOAKHUAOY-OAHLLOKOSA-N 2 2 295.471 2.288 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895067 365939186 /nfs/dbraw/zinc/93/91/86/365939186.db2.gz MKAJNEGXFQPIKD-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2OC)C1 ZINC000336895067 365939191 /nfs/dbraw/zinc/93/91/91/365939191.db2.gz MKAJNEGXFQPIKD-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840398 179351587 /nfs/dbraw/zinc/35/15/87/179351587.db2.gz GWECIKCHUIDIPE-UONOGXRCSA-N 2 2 291.443 2.138 10 0 CEAELP CC(C)[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCC3)CC1 ZINC000086840398 179351588 /nfs/dbraw/zinc/35/15/88/179351588.db2.gz GWECIKCHUIDIPE-UONOGXRCSA-N 2 2 291.443 2.138 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836307 179352089 /nfs/dbraw/zinc/35/20/89/179352089.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000086836307 179352090 /nfs/dbraw/zinc/35/20/90/179352090.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 3 2 255.450 2.181 10 0 CEAELP Cc1cnc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086844440 179354874 /nfs/dbraw/zinc/35/48/74/179354874.db2.gz CCEWWUYOORLCAE-AWEZNQCLSA-N 2 2 262.401 2.138 10 0 CEAELP Cc1cnc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)cn1 ZINC000086844440 179354876 /nfs/dbraw/zinc/35/48/76/179354876.db2.gz CCEWWUYOORLCAE-AWEZNQCLSA-N 2 2 262.401 2.138 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2[nH+]ccn2C)CC1 ZINC000086891363 179366580 /nfs/dbraw/zinc/36/65/80/179366580.db2.gz GGXAYXQRJJEZGX-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP COCCC[C@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000086963641 179369634 /nfs/dbraw/zinc/36/96/34/179369634.db2.gz BWKQSQUWDNMCDN-LBPRGKRZSA-N 2 2 252.358 2.003 10 0 CEAELP OC1(C[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000087016462 179380710 /nfs/dbraw/zinc/38/07/10/179380710.db2.gz JFAZCUIFCSODCN-KRWDZBQOSA-N 2 2 288.435 2.198 10 0 CEAELP OC1(C[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000087016462 179380712 /nfs/dbraw/zinc/38/07/12/179380712.db2.gz JFAZCUIFCSODCN-KRWDZBQOSA-N 2 2 288.435 2.198 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000087066141 179390587 /nfs/dbraw/zinc/39/05/87/179390587.db2.gz BVAUBAFMHYWUDA-AQFXKWCLSA-N 2 2 298.471 2.017 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000087066141 179390588 /nfs/dbraw/zinc/39/05/88/179390588.db2.gz BVAUBAFMHYWUDA-AQFXKWCLSA-N 2 2 298.471 2.017 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228553330 282605722 /nfs/dbraw/zinc/60/57/22/282605722.db2.gz CLMAELFXFBXVLJ-YNEHKIRRSA-N 2 2 270.380 2.137 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc2nnccc21 ZINC000616626681 348539356 /nfs/dbraw/zinc/53/93/56/348539356.db2.gz VHCFDWWNYCNQOB-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc2nnccc21 ZINC000616626681 348539359 /nfs/dbraw/zinc/53/93/59/348539359.db2.gz VHCFDWWNYCNQOB-OAHLLOKOSA-N 2 2 256.353 2.116 10 0 CEAELP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(C)(C)O ZINC000087818407 179492445 /nfs/dbraw/zinc/49/24/45/179492445.db2.gz HSRLCFRTKHWUQJ-RYUDHWBXSA-N 2 2 253.390 2.047 10 0 CEAELP C[N@H+](CC[NH2+]CCC(C)(C)C)C[C@@H]1CCCOC1 ZINC000104192714 185922887 /nfs/dbraw/zinc/92/28/87/185922887.db2.gz AWPDPXYTAVDPSR-AWEZNQCLSA-N 2 2 256.434 2.371 10 0 CEAELP C[N@@H+](CC[NH2+]CCC(C)(C)C)C[C@@H]1CCCOC1 ZINC000104192714 185922888 /nfs/dbraw/zinc/92/28/88/185922888.db2.gz AWPDPXYTAVDPSR-AWEZNQCLSA-N 2 2 256.434 2.371 10 0 CEAELP CC(C)c1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720752 180031323 /nfs/dbraw/zinc/03/13/23/180031323.db2.gz AZWKGSWQQPQMPU-GXTWGEPZSA-N 2 2 264.417 2.116 10 0 CEAELP CC(C)c1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720752 180031325 /nfs/dbraw/zinc/03/13/25/180031325.db2.gz AZWKGSWQQPQMPU-GXTWGEPZSA-N 2 2 264.417 2.116 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC(F)(F)F ZINC000104448851 186006195 /nfs/dbraw/zinc/00/61/95/186006195.db2.gz VOOGDVPWCKTWRT-YOGCLGLASA-N 2 2 280.334 2.170 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC(F)(F)F ZINC000104448851 186006197 /nfs/dbraw/zinc/00/61/97/186006197.db2.gz VOOGDVPWCKTWRT-YOGCLGLASA-N 2 2 280.334 2.170 10 0 CEAELP C[NH2+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907601 180061669 /nfs/dbraw/zinc/06/16/69/180061669.db2.gz PWDBFUFEROKOSQ-XHSDSOJGSA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907601 180061672 /nfs/dbraw/zinc/06/16/72/180061672.db2.gz PWDBFUFEROKOSQ-XHSDSOJGSA-N 2 2 278.371 2.340 10 0 CEAELP c1cn(CCn2cc(C[NH2+]C3CC3)c3cccnc32)c[nH+]1 ZINC000091020895 180088870 /nfs/dbraw/zinc/08/88/70/180088870.db2.gz OUCZMSZZJDBALI-UHFFFAOYSA-N 2 2 281.363 2.185 10 0 CEAELP CCCN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275591 180118834 /nfs/dbraw/zinc/11/88/34/180118834.db2.gz VVXAMCDNRIFIBJ-DOMZBBRYSA-N 2 2 276.384 2.009 10 0 CEAELP [NH3+]C[C@H](Nc1ccccc1F)c1c[nH+]cn1C1CC1 ZINC000091276656 180119912 /nfs/dbraw/zinc/11/99/12/180119912.db2.gz MIUKEGATYDVQIZ-ZDUSSCGKSA-N 2 2 260.316 2.469 10 0 CEAELP CCC(CC)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276269 180120064 /nfs/dbraw/zinc/12/00/64/180120064.db2.gz TWLBYAQFLLALFR-ZDUSSCGKSA-N 2 2 250.390 2.338 10 0 CEAELP Cn1c[nH+]cc1COc1cccc(C[NH2+]C2CC2)c1 ZINC000091278282 180120787 /nfs/dbraw/zinc/12/07/87/180120787.db2.gz NUDHXVLAPZXHSM-UHFFFAOYSA-N 2 2 257.337 2.251 10 0 CEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)c1 ZINC000091464231 180163113 /nfs/dbraw/zinc/16/31/13/180163113.db2.gz AFJQEJWGUNJFOZ-XCAIRMDXSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)c1 ZINC000091464231 180163115 /nfs/dbraw/zinc/16/31/15/180163115.db2.gz AFJQEJWGUNJFOZ-XCAIRMDXSA-N 2 2 262.397 2.086 10 0 CEAELP C[NH2+]CC1CC(OCc2[nH+]cc(C)c(OC)c2C)C1 ZINC000091473143 180165467 /nfs/dbraw/zinc/16/54/67/180165467.db2.gz RLGPEMPZSLZVQK-UHFFFAOYSA-N 2 2 264.369 2.222 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])C1CCCCC1)[NH+]1CCOCC1 ZINC000091611849 180206815 /nfs/dbraw/zinc/20/68/15/180206815.db2.gz NJMUMDIROUTINL-CABCVRRESA-N 2 2 254.418 2.395 10 0 CEAELP CCC(CC)([C@H](N)c1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634810 180211431 /nfs/dbraw/zinc/21/14/31/180211431.db2.gz AUTPKBWPGXOCEV-CQSZACIVSA-N 2 2 262.401 2.318 10 0 CEAELP Nc1cc(C[C@@H](O)C2([NH+]3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641619 180213151 /nfs/dbraw/zinc/21/31/51/180213151.db2.gz MFOISCKFBDBHRH-OAHLLOKOSA-N 2 2 289.423 2.366 10 0 CEAELP Nc1[nH+]cccc1CC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640081 180213579 /nfs/dbraw/zinc/21/35/79/180213579.db2.gz PWRROCMBPXRQFB-UHFFFAOYSA-N 2 2 273.380 2.184 10 0 CEAELP CC[NH2+][C@@H](C(C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000091646277 180215626 /nfs/dbraw/zinc/21/56/26/180215626.db2.gz QNBWLVVILJRDSL-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662904 180220098 /nfs/dbraw/zinc/22/00/98/180220098.db2.gz BANGPAIGKWKSEC-CABCVRRESA-N 2 2 285.391 2.121 10 0 CEAELP c1[nH]c2ccccc2c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662904 180220100 /nfs/dbraw/zinc/22/01/00/180220100.db2.gz BANGPAIGKWKSEC-CABCVRRESA-N 2 2 285.391 2.121 10 0 CEAELP CCC[NH2+][C@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716829 180232284 /nfs/dbraw/zinc/23/22/84/180232284.db2.gz SSRQPSAARSDPRT-OAHLLOKOSA-N 3 2 264.417 2.436 10 0 CEAELP CCC[NH2+][C@H](Cc1cccc(OC)c1)C[NH+](C)C ZINC000091719915 180234414 /nfs/dbraw/zinc/23/44/14/180234414.db2.gz CZHGOQKOINSUBE-CQSZACIVSA-N 2 2 250.386 2.168 10 0 CEAELP CC[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@H+](C)CCO3)nc21 ZINC000091722550 180239843 /nfs/dbraw/zinc/23/98/43/180239843.db2.gz WQDKGVWAOGCJIM-MNOVXSKESA-N 2 2 281.425 2.133 10 0 CEAELP CC[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@@H+](C)CCO3)nc21 ZINC000091722550 180239844 /nfs/dbraw/zinc/23/98/44/180239844.db2.gz WQDKGVWAOGCJIM-MNOVXSKESA-N 2 2 281.425 2.133 10 0 CEAELP CCC[NH2+][C@H](C)c1csc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000091722531 180239955 /nfs/dbraw/zinc/23/99/55/180239955.db2.gz IEQYIZMKJHDOTJ-PWSUYJOCSA-N 2 2 269.414 2.207 10 0 CEAELP CCC[NH2+][C@H](C)c1csc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000091722531 180239956 /nfs/dbraw/zinc/23/99/56/180239956.db2.gz IEQYIZMKJHDOTJ-PWSUYJOCSA-N 2 2 269.414 2.207 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092082622 180319407 /nfs/dbraw/zinc/31/94/07/180319407.db2.gz SBGQCUGCXACUNP-SCRDCRAPSA-N 2 2 276.380 2.045 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000092082622 180319408 /nfs/dbraw/zinc/31/94/08/180319408.db2.gz SBGQCUGCXACUNP-SCRDCRAPSA-N 2 2 276.380 2.045 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300145 180358854 /nfs/dbraw/zinc/35/88/54/180358854.db2.gz MTADMULGFDIFLX-QWHCGFSZSA-N 2 2 257.337 2.037 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342802 180366306 /nfs/dbraw/zinc/36/63/06/180366306.db2.gz TVHSEIWYMXKYIS-ZDUSSCGKSA-N 2 2 251.374 2.255 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342802 180366308 /nfs/dbraw/zinc/36/63/08/180366308.db2.gz TVHSEIWYMXKYIS-ZDUSSCGKSA-N 2 2 251.374 2.255 10 0 CEAELP Cc1cc(NC(=O)Cc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000092348640 180367596 /nfs/dbraw/zinc/36/75/96/180367596.db2.gz AYBUXHCYIOOSNI-UHFFFAOYSA-N 2 2 255.321 2.030 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000105897226 186086087 /nfs/dbraw/zinc/08/60/87/186086087.db2.gz CDVKOHLHYKTFPZ-KBPBESRZSA-N 2 2 263.385 2.261 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H]2CCCO2)C1 ZINC000105897226 186086089 /nfs/dbraw/zinc/08/60/89/186086089.db2.gz CDVKOHLHYKTFPZ-KBPBESRZSA-N 2 2 263.385 2.261 10 0 CEAELP CCc1[nH+]ccn1-c1cc(CO)[nH+]c2ccccc21 ZINC000109594818 186264558 /nfs/dbraw/zinc/26/45/58/186264558.db2.gz UKWTZLKEMIMRGM-UHFFFAOYSA-N 2 2 253.305 2.475 10 0 CEAELP C[NH+](C)CC(C)(C)C[NH2+]Cc1[nH]nnc1-c1ccccc1 ZINC000110924115 186334028 /nfs/dbraw/zinc/33/40/28/186334028.db2.gz IECFGQWDKCWQAS-UHFFFAOYSA-N 2 2 287.411 2.149 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1F ZINC000110977168 186338709 /nfs/dbraw/zinc/33/87/09/186338709.db2.gz OVPVEJGHMKUJNZ-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1F ZINC000110977168 186338710 /nfs/dbraw/zinc/33/87/10/186338710.db2.gz OVPVEJGHMKUJNZ-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977541 186339028 /nfs/dbraw/zinc/33/90/28/186339028.db2.gz NGRPNKRCDZTRHT-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977541 186339030 /nfs/dbraw/zinc/33/90/30/186339030.db2.gz NGRPNKRCDZTRHT-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159563 186361358 /nfs/dbraw/zinc/36/13/58/186361358.db2.gz JTRAQTMVPRKEAJ-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159563 186361360 /nfs/dbraw/zinc/36/13/60/186361360.db2.gz JTRAQTMVPRKEAJ-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159378 186362928 /nfs/dbraw/zinc/36/29/28/186362928.db2.gz IEUFLDUNVXONKL-ZFWWWQNUSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159378 186362929 /nfs/dbraw/zinc/36/29/29/186362929.db2.gz IEUFLDUNVXONKL-ZFWWWQNUSA-N 2 2 254.418 2.252 10 0 CEAELP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000111150255 186359797 /nfs/dbraw/zinc/35/97/97/186359797.db2.gz FGLZEYFQGAJJJI-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP Cc1cc(C[N@H+](C)CCC[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000111150255 186359799 /nfs/dbraw/zinc/35/97/99/186359799.db2.gz FGLZEYFQGAJJJI-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N(C)CC1CCOCC1 ZINC000111174373 186365572 /nfs/dbraw/zinc/36/55/72/186365572.db2.gz VPYGVUPRYWMCAM-UHFFFAOYSA-N 2 2 277.412 2.281 10 0 CEAELP [NH3+]C[C@@H]([C@@H]1CCCOC1)[N@H+](Cc1cccs1)C1CC1 ZINC000111320931 186397156 /nfs/dbraw/zinc/39/71/56/186397156.db2.gz QJDRKHPHOJGFPL-DOMZBBRYSA-N 2 2 280.437 2.466 10 0 CEAELP [NH3+]C[C@@H]([C@@H]1CCCOC1)[N@@H+](Cc1cccs1)C1CC1 ZINC000111320931 186397158 /nfs/dbraw/zinc/39/71/58/186397158.db2.gz QJDRKHPHOJGFPL-DOMZBBRYSA-N 2 2 280.437 2.466 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+](C)CCC[NH+](C)C ZINC000111239057 186374457 /nfs/dbraw/zinc/37/44/57/186374457.db2.gz FHNSKWQKCFWZKJ-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+](C)CCC[NH+](C)C ZINC000111239057 186374459 /nfs/dbraw/zinc/37/44/59/186374459.db2.gz FHNSKWQKCFWZKJ-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000070456264 363084774 /nfs/dbraw/zinc/08/47/74/363084774.db2.gz WNZOMNDVLNACFA-ZDUSSCGKSA-N 2 2 283.379 2.259 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000135127169 366399577 /nfs/dbraw/zinc/39/95/77/366399577.db2.gz QLEAABMEXOQKAQ-LBPRGKRZSA-N 2 2 262.382 2.313 10 0 CEAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952544 540646458 /nfs/dbraw/zinc/64/64/58/540646458.db2.gz AHNDTSKCLBINEH-XJKSGUPXSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@H]([NH3+])[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952544 540646462 /nfs/dbraw/zinc/64/64/62/540646462.db2.gz AHNDTSKCLBINEH-XJKSGUPXSA-N 2 2 297.443 2.199 10 0 CEAELP CCCc1noc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178295622 189104110 /nfs/dbraw/zinc/10/41/10/189104110.db2.gz HSKNWEPBGFLAGH-ZDUSSCGKSA-N 2 2 289.383 2.192 10 0 CEAELP CCCc1noc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000178295622 189104111 /nfs/dbraw/zinc/10/41/11/189104111.db2.gz HSKNWEPBGFLAGH-ZDUSSCGKSA-N 2 2 289.383 2.192 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000178333279 189108234 /nfs/dbraw/zinc/10/82/34/189108234.db2.gz IBXFNLADJSYQHK-CYBMUJFWSA-N 2 2 262.382 2.313 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000178333279 189108235 /nfs/dbraw/zinc/10/82/35/189108235.db2.gz IBXFNLADJSYQHK-CYBMUJFWSA-N 2 2 262.382 2.313 10 0 CEAELP Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc3[nH+]ccn32)cn1 ZINC000180052571 189235166 /nfs/dbraw/zinc/23/51/66/189235166.db2.gz JQKKVAKOBNEKFF-HNNXBMFYSA-N 2 2 281.363 2.405 10 0 CEAELP Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc3[nH+]ccn32)cn1 ZINC000180052571 189235167 /nfs/dbraw/zinc/23/51/67/189235167.db2.gz JQKKVAKOBNEKFF-HNNXBMFYSA-N 2 2 281.363 2.405 10 0 CEAELP CCn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000092812502 364109324 /nfs/dbraw/zinc/10/93/24/364109324.db2.gz CJFGJRMOLFOAEO-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000092812502 364109325 /nfs/dbraw/zinc/10/93/25/364109325.db2.gz CJFGJRMOLFOAEO-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812425 364110921 /nfs/dbraw/zinc/11/09/21/364110921.db2.gz UOGQKLWOLBASRO-CQSZACIVSA-N 2 2 285.395 2.058 10 0 CEAELP Cc1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812425 364110931 /nfs/dbraw/zinc/11/09/31/364110931.db2.gz UOGQKLWOLBASRO-CQSZACIVSA-N 2 2 285.395 2.058 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cnn(C)c1C ZINC000093649354 364209138 /nfs/dbraw/zinc/20/91/38/364209138.db2.gz SNHLIRRHXLLWTP-UHFFFAOYSA-N 2 2 283.379 2.176 10 0 CEAELP CC[NH2+][C@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091381 364337546 /nfs/dbraw/zinc/33/75/46/364337546.db2.gz NCKSHUQDCDWBCF-SJORKVTESA-N 2 2 276.424 2.402 10 0 CEAELP CC[NH2+][C@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095091381 364337553 /nfs/dbraw/zinc/33/75/53/364337553.db2.gz NCKSHUQDCDWBCF-SJORKVTESA-N 2 2 276.424 2.402 10 0 CEAELP CC[N@H+]1CCC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000112075891 364772455 /nfs/dbraw/zinc/77/24/55/364772455.db2.gz WAXKPEZZMGNLPC-CQSZACIVSA-N 2 2 289.427 2.363 10 0 CEAELP [NH3+]C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1c1ccccc1 ZINC000335604723 212317268 /nfs/dbraw/zinc/31/72/68/212317268.db2.gz QAQRRRHQDPPKLC-CABCVRRESA-N 2 2 253.349 2.260 10 0 CEAELP CC[C@H](C)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120487167 365431216 /nfs/dbraw/zinc/43/12/16/365431216.db2.gz ZCNIJEMMIIVHRW-HNNXBMFYSA-N 2 2 278.444 2.325 10 0 CEAELP CC[C@H](C)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000120487167 365431219 /nfs/dbraw/zinc/43/12/19/365431219.db2.gz ZCNIJEMMIIVHRW-HNNXBMFYSA-N 2 2 278.444 2.325 10 0 CEAELP C[C@H]1C[N@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000631839175 367578687 /nfs/dbraw/zinc/57/86/87/367578687.db2.gz BKAVHNCATYWCKA-QWRGUYRKSA-N 2 2 267.442 2.467 10 0 CEAELP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)C)cs2)C[C@@H]1C[NH3+] ZINC000631839175 367578692 /nfs/dbraw/zinc/57/86/92/367578692.db2.gz BKAVHNCATYWCKA-QWRGUYRKSA-N 2 2 267.442 2.467 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890591 367611801 /nfs/dbraw/zinc/61/18/01/367611801.db2.gz SXGUDUBYNCJQBP-ZIAGYGMSSA-N 2 2 262.401 2.038 10 0 CEAELP CCC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000190242472 369607769 /nfs/dbraw/zinc/60/77/69/369607769.db2.gz QCPVHPNJHYAJHN-ZDUSSCGKSA-N 2 2 261.369 2.185 10 0 CEAELP CCC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000190242472 369607771 /nfs/dbraw/zinc/60/77/71/369607771.db2.gz QCPVHPNJHYAJHN-ZDUSSCGKSA-N 2 2 261.369 2.185 10 0 CEAELP COc1cc(C)[nH+]c(CN[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000214142691 370172023 /nfs/dbraw/zinc/17/20/23/370172023.db2.gz LRLDZOGMWMFLNF-OAHLLOKOSA-N 2 2 279.428 2.465 10 0 CEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460741 370480965 /nfs/dbraw/zinc/48/09/65/370480965.db2.gz KPPSZDOOOFDIBI-INIZCTEOSA-N 3 2 284.407 2.446 10 0 CEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460741 370480970 /nfs/dbraw/zinc/48/09/70/370480970.db2.gz KPPSZDOOOFDIBI-INIZCTEOSA-N 3 2 284.407 2.446 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000248411606 371189454 /nfs/dbraw/zinc/18/94/54/371189454.db2.gz IIFWPGGXERWQJS-GJZGRUSLSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000248411606 371189458 /nfs/dbraw/zinc/18/94/58/371189458.db2.gz IIFWPGGXERWQJS-GJZGRUSLSA-N 2 2 284.407 2.393 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3F)C[C@@H]12 ZINC000261604433 371675158 /nfs/dbraw/zinc/67/51/58/371675158.db2.gz RAYGIDXKDIPQQK-PJCOJXEDSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@@H]12 ZINC000261604433 371675162 /nfs/dbraw/zinc/67/51/62/371675162.db2.gz RAYGIDXKDIPQQK-PJCOJXEDSA-N 2 2 270.298 2.273 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1[NH3+] ZINC000261564015 371650908 /nfs/dbraw/zinc/65/09/08/371650908.db2.gz CBCOJUJDJIYSMS-SMDDNHRTSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1[NH3+] ZINC000261564015 371650913 /nfs/dbraw/zinc/65/09/13/371650913.db2.gz CBCOJUJDJIYSMS-SMDDNHRTSA-N 2 2 260.381 2.179 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261986670 371790777 /nfs/dbraw/zinc/79/07/77/371790777.db2.gz JVLSQUXIJYIETJ-SUMWQHHRSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261986670 371790781 /nfs/dbraw/zinc/79/07/81/371790781.db2.gz JVLSQUXIJYIETJ-SUMWQHHRSA-N 2 2 284.407 2.175 10 0 CEAELP CC(C)C[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262166135 371832680 /nfs/dbraw/zinc/83/26/80/371832680.db2.gz HJWTZJWXTYKUSL-UHFFFAOYSA-N 2 2 274.368 2.187 10 0 CEAELP CC(C)C[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262166135 371832686 /nfs/dbraw/zinc/83/26/86/371832686.db2.gz HJWTZJWXTYKUSL-UHFFFAOYSA-N 2 2 274.368 2.187 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262083988 371821559 /nfs/dbraw/zinc/82/15/59/371821559.db2.gz UBSWPNPWGPLCHG-DOMZBBRYSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262083988 371821561 /nfs/dbraw/zinc/82/15/61/371821561.db2.gz UBSWPNPWGPLCHG-DOMZBBRYSA-N 2 2 270.380 2.164 10 0 CEAELP CCOCc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)ccc1OC ZINC000262118812 371824909 /nfs/dbraw/zinc/82/49/09/371824909.db2.gz XCBHRFLUIZUUJR-SWLSCSKDSA-N 2 2 278.396 2.011 10 0 CEAELP CCOCc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)ccc1OC ZINC000262118812 371824918 /nfs/dbraw/zinc/82/49/18/371824918.db2.gz XCBHRFLUIZUUJR-SWLSCSKDSA-N 2 2 278.396 2.011 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)c1C ZINC000389283656 375301663 /nfs/dbraw/zinc/30/16/63/375301663.db2.gz VIEWRJIFOCTDGP-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)c1C ZINC000389283656 375301667 /nfs/dbraw/zinc/30/16/67/375301667.db2.gz VIEWRJIFOCTDGP-BXUZGUMPSA-N 2 2 264.417 2.265 10 0 CEAELP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922638 376862970 /nfs/dbraw/zinc/86/29/70/376862970.db2.gz QJPUOPMJBOVFBD-CMPLNLGQSA-N 2 2 254.761 2.059 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192010502 249340011 /nfs/dbraw/zinc/34/00/11/249340011.db2.gz QKSVREQKFFNUJP-GOSISDBHSA-N 2 2 296.418 2.461 10 0 CEAELP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000192010502 249340015 /nfs/dbraw/zinc/34/00/15/249340015.db2.gz QKSVREQKFFNUJP-GOSISDBHSA-N 2 2 296.418 2.461 10 0 CEAELP CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180615029 542265889 /nfs/dbraw/zinc/26/58/89/542265889.db2.gz HQEWDQIGWKRLIP-HNNXBMFYSA-N 2 2 287.411 2.152 10 0 CEAELP CCc1nn(C)cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180615029 542265894 /nfs/dbraw/zinc/26/58/94/542265894.db2.gz HQEWDQIGWKRLIP-HNNXBMFYSA-N 2 2 287.411 2.152 10 0 CEAELP Cc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302046563 379318410 /nfs/dbraw/zinc/31/84/10/379318410.db2.gz LBAXXTRZUGTZJM-JSGCOSHPSA-N 2 2 286.423 2.337 10 0 CEAELP Cc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302046563 379318416 /nfs/dbraw/zinc/31/84/16/379318416.db2.gz LBAXXTRZUGTZJM-JSGCOSHPSA-N 2 2 286.423 2.337 10 0 CEAELP [NH3+][C@@]1(CO)CCC[C@H]1CCn1cc[nH+]c1-c1ccccc1 ZINC000093618875 184696607 /nfs/dbraw/zinc/69/66/07/184696607.db2.gz ZMBFWPSWFNIOFP-DOTOQJQBSA-N 2 2 285.391 2.430 10 0 CEAELP CCn1cc[nH+]c1C[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000094145517 184756596 /nfs/dbraw/zinc/75/65/96/184756596.db2.gz JNSZBWQSPTWVIG-ZDUSSCGKSA-N 2 2 259.353 2.024 10 0 CEAELP C[C@@H](C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000247208882 131101724 /nfs/dbraw/zinc/10/17/24/131101724.db2.gz UKYCYRTUDCTWPL-HOCLYGCPSA-N 2 2 262.397 2.053 10 0 CEAELP C[C@@H](C[N@H+]1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000247208882 131101725 /nfs/dbraw/zinc/10/17/25/131101725.db2.gz UKYCYRTUDCTWPL-HOCLYGCPSA-N 2 2 262.397 2.053 10 0 CEAELP CC[C@@](C[NH3+])(C1CC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000086120185 135038814 /nfs/dbraw/zinc/03/88/14/135038814.db2.gz IZPWQTIWWSLQKV-QGZVFWFLSA-N 2 2 291.414 2.465 10 0 CEAELP Cc1cc[nH+]cc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086149241 135039477 /nfs/dbraw/zinc/03/94/77/135039477.db2.gz HZQJIAFMTBSEEJ-INIZCTEOSA-N 2 2 267.376 2.411 10 0 CEAELP C[C@@H]1Cc2ccccc2N([C@@H](C[NH3+])c2c[nH+]cn2C)C1 ZINC000090167971 135062119 /nfs/dbraw/zinc/06/21/19/135062119.db2.gz NULNSZLIYDGQSU-DOMZBBRYSA-N 2 2 270.380 2.119 10 0 CEAELP [NH3+][C@H]1CC[C@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221045 135079673 /nfs/dbraw/zinc/07/96/73/135079673.db2.gz GWYNLDIHVTWIRB-STQMWFEESA-N 2 2 279.815 2.342 10 0 CEAELP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093463209 135080876 /nfs/dbraw/zinc/08/08/76/135080876.db2.gz IBJAQKHMIZMEPH-HOCLYGCPSA-N 3 2 288.439 2.171 10 0 CEAELP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261173 395463208 /nfs/dbraw/zinc/46/32/08/395463208.db2.gz IWNBULXPQGVTQM-GFCCVEGCSA-N 2 2 253.415 2.225 10 0 CEAELP CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261173 395463211 /nfs/dbraw/zinc/46/32/11/395463211.db2.gz IWNBULXPQGVTQM-GFCCVEGCSA-N 2 2 253.415 2.225 10 0 CEAELP CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195261173 395463214 /nfs/dbraw/zinc/46/32/14/395463214.db2.gz IWNBULXPQGVTQM-GFCCVEGCSA-N 2 2 253.415 2.225 10 0 CEAELP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195261173 395463216 /nfs/dbraw/zinc/46/32/16/395463216.db2.gz IWNBULXPQGVTQM-GFCCVEGCSA-N 2 2 253.415 2.225 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000191479280 153177290 /nfs/dbraw/zinc/17/72/90/153177290.db2.gz IMLGGXFUGQTIQY-HNNXBMFYSA-N 2 2 264.417 2.289 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000191479280 153177292 /nfs/dbraw/zinc/17/72/92/153177292.db2.gz IMLGGXFUGQTIQY-HNNXBMFYSA-N 2 2 264.417 2.289 10 0 CEAELP OCC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000227573942 153348489 /nfs/dbraw/zinc/34/84/89/153348489.db2.gz JDUJYKZGIPGTBG-HNNXBMFYSA-N 2 2 271.364 2.077 10 0 CEAELP OCC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000227573942 153348491 /nfs/dbraw/zinc/34/84/91/153348491.db2.gz JDUJYKZGIPGTBG-HNNXBMFYSA-N 2 2 271.364 2.077 10 0 CEAELP CC(C)Cn1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261783667 153840351 /nfs/dbraw/zinc/84/03/51/153840351.db2.gz UFPUWFOYFAYAIJ-AWEZNQCLSA-N 2 2 264.417 2.098 10 0 CEAELP CC(C)Cn1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261783667 153840353 /nfs/dbraw/zinc/84/03/53/153840353.db2.gz UFPUWFOYFAYAIJ-AWEZNQCLSA-N 2 2 264.417 2.098 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178981002 165267669 /nfs/dbraw/zinc/26/76/69/165267669.db2.gz HLDSGQRSRUBJKL-HNNXBMFYSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178981002 165267673 /nfs/dbraw/zinc/26/76/73/165267673.db2.gz HLDSGQRSRUBJKL-HNNXBMFYSA-N 3 2 276.428 2.082 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCSC1 ZINC000020266476 171122963 /nfs/dbraw/zinc/12/29/63/171122963.db2.gz MXZNOCQIFHHDNR-ZDUSSCGKSA-N 2 2 254.374 2.092 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@]1(C[NH3+])CCSC1 ZINC000020266476 171122965 /nfs/dbraw/zinc/12/29/65/171122965.db2.gz MXZNOCQIFHHDNR-ZDUSSCGKSA-N 2 2 254.374 2.092 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)s1 ZINC000037174542 173009944 /nfs/dbraw/zinc/00/99/44/173009944.db2.gz HKIHGVZVVWTHKI-GHMZBOCLSA-N 2 2 256.440 2.494 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)s1 ZINC000037174542 173009946 /nfs/dbraw/zinc/00/99/46/173009946.db2.gz HKIHGVZVVWTHKI-GHMZBOCLSA-N 2 2 256.440 2.494 10 0 CEAELP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000037220645 173039221 /nfs/dbraw/zinc/03/92/21/173039221.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000037220645 173039223 /nfs/dbraw/zinc/03/92/23/173039223.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 3 2 255.450 2.037 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000037265836 173074775 /nfs/dbraw/zinc/07/47/75/173074775.db2.gz JPPIRDARZKAMCW-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1c(F)cccc1F ZINC000040638544 174363338 /nfs/dbraw/zinc/36/33/38/174363338.db2.gz JRPZCFKDGRRLIF-UHFFFAOYSA-N 2 2 251.280 2.031 10 0 CEAELP CC[N@H+](CC(=O)N(C)C1=CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748332 174393397 /nfs/dbraw/zinc/39/33/97/174393397.db2.gz LDYPHGWUGDJIRO-MZBDJJRSSA-N 2 2 291.439 2.118 10 0 CEAELP CC[N@@H+](CC(=O)N(C)C1=CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748332 174393398 /nfs/dbraw/zinc/39/33/98/174393398.db2.gz LDYPHGWUGDJIRO-MZBDJJRSSA-N 2 2 291.439 2.118 10 0 CEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCC(CO)CC1 ZINC000043034322 174949613 /nfs/dbraw/zinc/94/96/13/174949613.db2.gz HTXVDDOUBCGCNJ-XJKSGUPXSA-N 2 2 262.397 2.088 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCC1 ZINC000043354626 175022402 /nfs/dbraw/zinc/02/24/02/175022402.db2.gz KWMPFWARSJDPQN-HZPDHXFCSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCC1 ZINC000043354626 175022404 /nfs/dbraw/zinc/02/24/04/175022404.db2.gz KWMPFWARSJDPQN-HZPDHXFCSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(CO)CC1 ZINC000043364004 175024436 /nfs/dbraw/zinc/02/44/36/175024436.db2.gz OVSGGGHRCOUOKI-DZGCQCFKSA-N 2 2 266.385 2.071 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)C1CCOCC1 ZINC000043364463 175025551 /nfs/dbraw/zinc/02/55/51/175025551.db2.gz YWRCEUFKVPPQKT-HIFRSBDPSA-N 2 2 266.385 2.477 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)C1CCOCC1 ZINC000043364463 175025553 /nfs/dbraw/zinc/02/55/53/175025553.db2.gz YWRCEUFKVPPQKT-HIFRSBDPSA-N 2 2 266.385 2.477 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CCCC2)o1 ZINC000043365201 175026019 /nfs/dbraw/zinc/02/60/19/175026019.db2.gz JREATOBTYMGGAC-DOMZBBRYSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CCCC2)o1 ZINC000043365201 175026020 /nfs/dbraw/zinc/02/60/20/175026020.db2.gz JREATOBTYMGGAC-DOMZBBRYSA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@H]([C@H]([NH2+]C)c1ccccc1)[N@H+](C)CCOC ZINC000043915573 175125077 /nfs/dbraw/zinc/12/50/77/175125077.db2.gz NAJQJODMXCLSKK-HUUCEWRRSA-N 2 2 250.386 2.304 10 0 CEAELP CC[C@H]([C@H]([NH2+]C)c1ccccc1)[N@@H+](C)CCOC ZINC000043915573 175125078 /nfs/dbraw/zinc/12/50/78/175125078.db2.gz NAJQJODMXCLSKK-HUUCEWRRSA-N 2 2 250.386 2.304 10 0 CEAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@H+](C)CCOC ZINC000043915450 175125237 /nfs/dbraw/zinc/12/52/37/175125237.db2.gz VHTZYKWLISNYGT-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)[N@@H+](C)CCOC ZINC000043915450 175125238 /nfs/dbraw/zinc/12/52/38/175125238.db2.gz VHTZYKWLISNYGT-DZGCQCFKSA-N 2 2 250.386 2.222 10 0 CEAELP CCC[N@H+](CC1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967451 175128379 /nfs/dbraw/zinc/12/83/79/175128379.db2.gz YGFXGTSBFJGTCG-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP CCC[N@@H+](CC1CC1)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043967451 175128380 /nfs/dbraw/zinc/12/83/80/175128380.db2.gz YGFXGTSBFJGTCG-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969649 175130176 /nfs/dbraw/zinc/13/01/76/175130176.db2.gz AWIMRAFNVOQYOI-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969649 175130177 /nfs/dbraw/zinc/13/01/77/175130177.db2.gz AWIMRAFNVOQYOI-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP Nc1[nH+]c2cc(F)ccc2n1CCCCn1cc[nH+]c1 ZINC000045108608 175308703 /nfs/dbraw/zinc/30/87/03/175308703.db2.gz PWPCSUWBJZJQOJ-UHFFFAOYSA-N 2 2 273.315 2.435 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375404 175366133 /nfs/dbraw/zinc/36/61/33/175366133.db2.gz WCIRTSSBLKGHKU-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP C[C@H](C(=O)Nc1ccccc1)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975439 176017892 /nfs/dbraw/zinc/01/78/92/176017892.db2.gz RITHOJMOUBXIBB-CYBMUJFWSA-N 2 2 275.396 2.217 10 0 CEAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975439 176017893 /nfs/dbraw/zinc/01/78/93/176017893.db2.gz RITHOJMOUBXIBB-CYBMUJFWSA-N 2 2 275.396 2.217 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000071124739 176034812 /nfs/dbraw/zinc/03/48/12/176034812.db2.gz MCDBDWXFDMCGKW-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP C[N@@H+](Cc1ccnc(Cl)c1)C[C@H]1CC[NH+](C)C1 ZINC000071189076 176064778 /nfs/dbraw/zinc/06/47/78/176064778.db2.gz LRINFOJDACASKD-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[N@H+](Cc1ccnc(Cl)c1)C[C@H]1CC[NH+](C)C1 ZINC000071189076 176064779 /nfs/dbraw/zinc/06/47/79/176064779.db2.gz LRINFOJDACASKD-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccnc(Cl)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071189076 176064781 /nfs/dbraw/zinc/06/47/81/176064781.db2.gz LRINFOJDACASKD-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP C[NH+](Cc1ccnc(Cl)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189076 176064782 /nfs/dbraw/zinc/06/47/82/176064782.db2.gz LRINFOJDACASKD-LBPRGKRZSA-N 2 2 253.777 2.119 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191452 176069754 /nfs/dbraw/zinc/06/97/54/176069754.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191452 176069755 /nfs/dbraw/zinc/06/97/55/176069755.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191452 176069757 /nfs/dbraw/zinc/06/97/57/176069757.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191452 176069758 /nfs/dbraw/zinc/06/97/58/176069758.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 3 2 281.488 2.430 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191940 176072337 /nfs/dbraw/zinc/07/23/37/176072337.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191940 176072338 /nfs/dbraw/zinc/07/23/38/176072338.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191940 176072339 /nfs/dbraw/zinc/07/23/39/176072339.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191940 176072341 /nfs/dbraw/zinc/07/23/41/176072341.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[N@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200753 176077532 /nfs/dbraw/zinc/07/75/32/176077532.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[N@@H+](CCCC[NH+](C)C(C)C)C1 ZINC000071200753 176077533 /nfs/dbraw/zinc/07/75/33/176077533.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[NH+](CCCC[N@H+](C)C(C)C)C1 ZINC000071200753 176077535 /nfs/dbraw/zinc/07/75/35/176077535.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@@H]1CC[NH+](CCCC[N@@H+](C)C(C)C)C1 ZINC000071200753 176077536 /nfs/dbraw/zinc/07/75/36/176077536.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 3 2 255.450 2.179 10 0 CEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1cccc(Cl)c1 ZINC000071229135 176091014 /nfs/dbraw/zinc/09/10/14/176091014.db2.gz OXHHIKGIGXRKDV-UHFFFAOYSA-N 2 2 269.776 2.114 10 0 CEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1cccc(Cl)c1 ZINC000071229135 176091015 /nfs/dbraw/zinc/09/10/15/176091015.db2.gz OXHHIKGIGXRKDV-UHFFFAOYSA-N 2 2 269.776 2.114 10 0 CEAELP CCOC(=O)CCCCC[NH2+][C@H](C[NH+](C)C)C(C)C ZINC000071293786 176111668 /nfs/dbraw/zinc/11/16/68/176111668.db2.gz NUXQMXOBICKXKL-CQSZACIVSA-N 2 2 272.433 2.286 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CC(C)(C)[NH+](C)C ZINC000071293914 176111713 /nfs/dbraw/zinc/11/17/13/176111713.db2.gz YVFOUXASSSBTDE-UHFFFAOYSA-N 2 2 258.406 2.040 10 0 CEAELP CCC[N@H+](Cc1ccc(O)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000071314664 176121119 /nfs/dbraw/zinc/12/11/19/176121119.db2.gz YTDDRECLEZFEOL-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CCC[N@@H+](Cc1ccc(O)c(OCC)c1)[C@H]1CC[NH2+]C1 ZINC000071314664 176121121 /nfs/dbraw/zinc/12/11/21/176121121.db2.gz YTDDRECLEZFEOL-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CC[C@@H](C)[C@@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071355676 176136496 /nfs/dbraw/zinc/13/64/96/176136496.db2.gz KOEMUBYPJHSCBN-CABCVRRESA-N 2 2 278.444 2.372 10 0 CEAELP COc1ccc(C[N@H+](CC[NH3+])C(C)(C)C)cc1F ZINC000076658248 177046938 /nfs/dbraw/zinc/04/69/38/177046938.db2.gz FHWIRUMGXYDKMG-UHFFFAOYSA-N 2 2 254.349 2.394 10 0 CEAELP COc1ccc(C[N@@H+](CC[NH3+])C(C)(C)C)cc1F ZINC000076658248 177046939 /nfs/dbraw/zinc/04/69/39/177046939.db2.gz FHWIRUMGXYDKMG-UHFFFAOYSA-N 2 2 254.349 2.394 10 0 CEAELP c1[nH+]cn2c1C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC000253596933 333185735 /nfs/dbraw/zinc/18/57/35/333185735.db2.gz YDULSHMHFUZZIH-QGZVFWFLSA-N 2 2 298.390 2.262 10 0 CEAELP c1[nH+]cn2c1C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC000253596933 333185736 /nfs/dbraw/zinc/18/57/36/333185736.db2.gz YDULSHMHFUZZIH-QGZVFWFLSA-N 2 2 298.390 2.262 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)no1 ZINC000054629034 519908282 /nfs/dbraw/zinc/90/82/82/519908282.db2.gz VBEVBKNDBSOOEV-AGUYFDCRSA-N 2 2 263.385 2.478 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)no1 ZINC000054629034 519908285 /nfs/dbraw/zinc/90/82/85/519908285.db2.gz VBEVBKNDBSOOEV-AGUYFDCRSA-N 2 2 263.385 2.478 10 0 CEAELP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2csc(C)n2)O1 ZINC000052505947 519953620 /nfs/dbraw/zinc/95/36/20/519953620.db2.gz DXOKFDFBHQAHKG-UONOGXRCSA-N 2 2 283.441 2.040 10 0 CEAELP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+](C)Cc2csc(C)n2)O1 ZINC000052505947 519953633 /nfs/dbraw/zinc/95/36/33/519953633.db2.gz DXOKFDFBHQAHKG-UONOGXRCSA-N 2 2 283.441 2.040 10 0 CEAELP CC[NH2+]Cc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000052376801 520020774 /nfs/dbraw/zinc/02/07/74/520020774.db2.gz HKJUFGMGTAJOTJ-UHFFFAOYSA-N 2 2 253.415 2.485 10 0 CEAELP C[NH2+]CC[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419005 522019322 /nfs/dbraw/zinc/01/93/22/522019322.db2.gz XJGMMGLBBWSHIQ-ZDUSSCGKSA-N 2 2 281.831 2.460 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503881 519723467 /nfs/dbraw/zinc/72/34/67/519723467.db2.gz WQNRZYWCKCSSHS-KBPBESRZSA-N 2 2 283.441 2.121 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503881 519723468 /nfs/dbraw/zinc/72/34/68/519723468.db2.gz WQNRZYWCKCSSHS-KBPBESRZSA-N 2 2 283.441 2.121 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198868 519793966 /nfs/dbraw/zinc/79/39/66/519793966.db2.gz KADVCXIIFYEIHF-SWLSCSKDSA-N 2 2 292.427 2.414 10 0 CEAELP CC[NH2+]C(C)(C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061292635 519907469 /nfs/dbraw/zinc/90/74/69/519907469.db2.gz RVYROYSOWBDVIF-UHFFFAOYSA-N 2 2 260.341 2.198 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccnc(C)n1 ZINC000054602385 519910049 /nfs/dbraw/zinc/91/00/49/519910049.db2.gz AHOPHXNTMCGAHK-MQVJKMGUSA-N 2 2 274.412 2.280 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccnc(C)n1 ZINC000054602385 519910046 /nfs/dbraw/zinc/91/00/46/519910046.db2.gz AHOPHXNTMCGAHK-MQVJKMGUSA-N 2 2 274.412 2.280 10 0 CEAELP CCC[NH2+]C[C@@H](C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052543971 519920668 /nfs/dbraw/zinc/92/06/68/519920668.db2.gz YJAYIFSVJJZNLO-CQSZACIVSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052543971 519920672 /nfs/dbraw/zinc/92/06/72/519920672.db2.gz YJAYIFSVJJZNLO-CQSZACIVSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+]Cc1coc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)c1 ZINC000052571088 520017999 /nfs/dbraw/zinc/01/79/99/520017999.db2.gz FOZGUGVXPMRQJD-OCCSQVGLSA-N 2 2 266.385 2.388 10 0 CEAELP CC[NH2+]Cc1coc(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)c1 ZINC000052571088 520018005 /nfs/dbraw/zinc/01/80/05/520018005.db2.gz FOZGUGVXPMRQJD-OCCSQVGLSA-N 2 2 266.385 2.388 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)C[C@H](C)CC[C@@H]1C ZINC000068631354 521358772 /nfs/dbraw/zinc/35/87/72/521358772.db2.gz WBWKBEATBMMEEI-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)C[C@H](C)CC[C@@H]1C ZINC000068631354 521358778 /nfs/dbraw/zinc/35/87/78/521358778.db2.gz WBWKBEATBMMEEI-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000052203829 521929732 /nfs/dbraw/zinc/92/97/32/521929732.db2.gz LKJRZJKUPKSNAD-WMLDXEAASA-N 2 2 294.439 2.232 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000052203829 521929742 /nfs/dbraw/zinc/92/97/42/521929742.db2.gz LKJRZJKUPKSNAD-WMLDXEAASA-N 2 2 294.439 2.232 10 0 CEAELP C[NH2+][C@@H](C)C[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000068654167 522325162 /nfs/dbraw/zinc/32/51/62/522325162.db2.gz MBASLHSHLOVGPM-GJZGRUSLSA-N 2 2 291.439 2.204 10 0 CEAELP C[NH2+][C@@](C)(C[C@@H](C)n1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000068648753 522419634 /nfs/dbraw/zinc/41/96/34/522419634.db2.gz YIUJVQVLMNOAST-BZNIZROVSA-N 2 2 289.379 2.447 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1cc[nH+]c(NN)c1 ZINC000062808104 522503697 /nfs/dbraw/zinc/50/36/97/522503697.db2.gz ABDVCFNDWIBQBT-UHFFFAOYSA-N 2 2 267.336 2.328 10 0 CEAELP COCCC[N@H+](C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811975 523232644 /nfs/dbraw/zinc/23/26/44/523232644.db2.gz BMPXWVDGEHRMHM-CYBMUJFWSA-N 2 2 262.353 2.401 10 0 CEAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811975 523232650 /nfs/dbraw/zinc/23/26/50/523232650.db2.gz BMPXWVDGEHRMHM-CYBMUJFWSA-N 2 2 262.353 2.401 10 0 CEAELP CC[C@@H]1C[N@@H+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000054555014 523467995 /nfs/dbraw/zinc/46/79/95/523467995.db2.gz LEYJNUJNSCWVKT-APIJFGDWSA-N 2 2 254.418 2.249 10 0 CEAELP CC[C@@H]1C[N@H+]([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000054555014 523468003 /nfs/dbraw/zinc/46/80/03/523468003.db2.gz LEYJNUJNSCWVKT-APIJFGDWSA-N 2 2 254.418 2.249 10 0 CEAELP C[N@H+](Cc1cscn1)CC1(C[NH3+])CCCCC1 ZINC000051250453 523537957 /nfs/dbraw/zinc/53/79/57/523537957.db2.gz GZVLBXKSHMUBQX-UHFFFAOYSA-N 2 2 253.415 2.484 10 0 CEAELP C[N@@H+](Cc1cscn1)CC1(C[NH3+])CCCCC1 ZINC000051250453 523537961 /nfs/dbraw/zinc/53/79/61/523537961.db2.gz GZVLBXKSHMUBQX-UHFFFAOYSA-N 2 2 253.415 2.484 10 0 CEAELP COCC[N@H+](C)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000061377969 523612030 /nfs/dbraw/zinc/61/20/30/523612030.db2.gz HWTHVONHZDXRDM-AWEZNQCLSA-N 2 2 268.426 2.367 10 0 CEAELP COCC[N@@H+](C)CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000061377969 523612041 /nfs/dbraw/zinc/61/20/41/523612041.db2.gz HWTHVONHZDXRDM-AWEZNQCLSA-N 2 2 268.426 2.367 10 0 CEAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2nnc(-c3ccccc3)o2)C1 ZINC000050601935 523841008 /nfs/dbraw/zinc/84/10/08/523841008.db2.gz ZYEDCMCZRIYAFA-CYBMUJFWSA-N 2 2 286.379 2.168 10 0 CEAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2nnc(-c3ccccc3)o2)C1 ZINC000050601935 523841011 /nfs/dbraw/zinc/84/10/11/523841011.db2.gz ZYEDCMCZRIYAFA-CYBMUJFWSA-N 2 2 286.379 2.168 10 0 CEAELP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000049557736 524162017 /nfs/dbraw/zinc/16/20/17/524162017.db2.gz JIVVCNWBRNMVEM-LLVKDONJSA-N 2 2 283.803 2.208 10 0 CEAELP COc1ccc(Cl)cc1Cn1cc[nH+]c1C[C@@H](C)[NH3+] ZINC000062802872 524212818 /nfs/dbraw/zinc/21/28/18/524212818.db2.gz VETVZJOYWUSNTM-SNVBAGLBSA-N 2 2 279.771 2.483 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000068628366 524336744 /nfs/dbraw/zinc/33/67/44/524336744.db2.gz WCYWLBQWWHPOJA-INMHGKMJSA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000049510216 524629930 /nfs/dbraw/zinc/62/99/30/524629930.db2.gz DHLMSYKGVDVNFZ-JTQLQIEISA-N 2 2 294.786 2.165 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757499 524744085 /nfs/dbraw/zinc/74/40/85/524744085.db2.gz VBGQYXQEKMSPIK-JJRVBVJISA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757499 524744096 /nfs/dbraw/zinc/74/40/96/524744096.db2.gz VBGQYXQEKMSPIK-JJRVBVJISA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+]2CCCSCC2)cc1C ZINC000050596737 525179343 /nfs/dbraw/zinc/17/93/43/525179343.db2.gz YSQXHRSWLVQUES-CQSZACIVSA-N 2 2 280.437 2.442 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+]2CCCSCC2)cc1C ZINC000050596737 525179353 /nfs/dbraw/zinc/17/93/53/525179353.db2.gz YSQXHRSWLVQUES-CQSZACIVSA-N 2 2 280.437 2.442 10 0 CEAELP Cc1nc[nH]c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000054793702 525460085 /nfs/dbraw/zinc/46/00/85/525460085.db2.gz HHWLADPKTRTICI-UHFFFAOYSA-N 2 2 272.396 2.330 10 0 CEAELP Cc1nc[nH]c1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000054793702 525460092 /nfs/dbraw/zinc/46/00/92/525460092.db2.gz HHWLADPKTRTICI-UHFFFAOYSA-N 2 2 272.396 2.330 10 0 CEAELP C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000067718640 525490379 /nfs/dbraw/zinc/49/03/79/525490379.db2.gz CRRHASICEQCLNF-LBPRGKRZSA-N 2 2 267.336 2.446 10 0 CEAELP c1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061815765 526484344 /nfs/dbraw/zinc/48/43/44/526484344.db2.gz NMELYQASJWUJAC-AWEZNQCLSA-N 2 2 260.381 2.282 10 0 CEAELP c1ccc(OCCC[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000061815765 526484348 /nfs/dbraw/zinc/48/43/48/526484348.db2.gz NMELYQASJWUJAC-AWEZNQCLSA-N 2 2 260.381 2.282 10 0 CEAELP c1coc(CC[NH2+]C[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000049147258 526565909 /nfs/dbraw/zinc/56/59/09/526565909.db2.gz PXYLFUHLKZNUOT-HNNXBMFYSA-N 2 2 256.349 2.126 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CCOC[C@@H]1C ZINC000052476087 526775363 /nfs/dbraw/zinc/77/53/63/526775363.db2.gz OFMVHVJNLVPGCR-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CCOC[C@@H]1C ZINC000052476087 526775367 /nfs/dbraw/zinc/77/53/67/526775367.db2.gz OFMVHVJNLVPGCR-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1cc[nH+]c1 ZINC000054601243 527033914 /nfs/dbraw/zinc/03/39/14/527033914.db2.gz KUFUKUONHNAECW-OKILXGFUSA-N 2 2 261.369 2.249 10 0 CEAELP O=C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCn1cc[nH+]c1 ZINC000054601243 527033918 /nfs/dbraw/zinc/03/39/18/527033918.db2.gz KUFUKUONHNAECW-OKILXGFUSA-N 2 2 261.369 2.249 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1Cl ZINC000052709607 527146708 /nfs/dbraw/zinc/14/67/08/527146708.db2.gz VVLAVIRNKVPCMO-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1Cl ZINC000052709607 527146710 /nfs/dbraw/zinc/14/67/10/527146710.db2.gz VVLAVIRNKVPCMO-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]Cc1ccoc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484208 527262103 /nfs/dbraw/zinc/26/21/03/527262103.db2.gz XCVWMGRFYCSCIL-UHFFFAOYSA-N 3 2 277.412 2.189 10 0 CEAELP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000567640451 299070570 /nfs/dbraw/zinc/07/05/70/299070570.db2.gz JPJSXWWJKGTOEG-NVXWUHKLSA-N 2 2 298.434 2.409 10 0 CEAELP Cc1ccc(Br)cc1C[N@H+](C)CC[NH3+] ZINC000083256505 178371965 /nfs/dbraw/zinc/37/19/65/178371965.db2.gz QOBURHISIVPRKF-UHFFFAOYSA-N 2 2 257.175 2.148 10 0 CEAELP Cc1ccc(Br)cc1C[N@@H+](C)CC[NH3+] ZINC000083256505 178371968 /nfs/dbraw/zinc/37/19/68/178371968.db2.gz QOBURHISIVPRKF-UHFFFAOYSA-N 2 2 257.175 2.148 10 0 CEAELP C[C@H](c1cccs1)n1c[nH+]cc1[C@@H]1C[NH2+]CCO1 ZINC000097014796 185151452 /nfs/dbraw/zinc/15/14/52/185151452.db2.gz MOQRRDQPWNDSGO-PWSUYJOCSA-N 2 2 263.366 2.215 10 0 CEAELP C[C@]1(c2c[nH+]cn2CCc2ccsc2)CC[NH2+]C1 ZINC000097022209 185153880 /nfs/dbraw/zinc/15/38/80/185153880.db2.gz YASYUSWPKGEPNP-AWEZNQCLSA-N 2 2 261.394 2.438 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554113 539167065 /nfs/dbraw/zinc/16/70/65/539167065.db2.gz PKOCWOFIXDNIRH-CQSZACIVSA-N 2 2 256.434 2.225 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]CC(C(C)C)C(C)C)C1 ZINC000229554113 539167067 /nfs/dbraw/zinc/16/70/67/539167067.db2.gz PKOCWOFIXDNIRH-CQSZACIVSA-N 2 2 256.434 2.225 10 0 CEAELP C[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235363199 344590245 /nfs/dbraw/zinc/59/02/45/344590245.db2.gz OSYQOEHKLMLQCU-RISCZKNCSA-N 2 2 268.788 2.388 10 0 CEAELP C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235363199 344590248 /nfs/dbraw/zinc/59/02/48/344590248.db2.gz OSYQOEHKLMLQCU-RISCZKNCSA-N 2 2 268.788 2.388 10 0 CEAELP C[N@@H+](Cc1cscn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328620832 344755854 /nfs/dbraw/zinc/75/58/54/344755854.db2.gz ADFXQTBMLOUEBS-NSHDSACASA-N 2 2 262.382 2.034 10 0 CEAELP C[N@H+](Cc1cscn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328620832 344755856 /nfs/dbraw/zinc/75/58/56/344755856.db2.gz ADFXQTBMLOUEBS-NSHDSACASA-N 2 2 262.382 2.034 10 0 CEAELP Cc1[nH+]c(-c2ccc(F)cc2)nc(N2CC[NH2+]CC2)c1C ZINC000058047323 362605993 /nfs/dbraw/zinc/60/59/93/362605993.db2.gz UCFXYIXZQKYMQB-UHFFFAOYSA-N 2 2 286.354 2.309 10 0 CEAELP CCCn1cc[nH+]c1C[C@H]([NH2+]C)[C@H]1CCSC1 ZINC000097311337 185584082 /nfs/dbraw/zinc/58/40/82/185584082.db2.gz BONJGEKTUOAUNB-RYUDHWBXSA-N 2 2 253.415 2.177 10 0 CEAELP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085371349 179041329 /nfs/dbraw/zinc/04/13/29/179041329.db2.gz XLOMQJCMRJLULC-HOTGVXAUSA-N 2 2 289.423 2.147 10 0 CEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085371349 179041331 /nfs/dbraw/zinc/04/13/31/179041331.db2.gz XLOMQJCMRJLULC-HOTGVXAUSA-N 2 2 289.423 2.147 10 0 CEAELP CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1(C)C ZINC000085400913 179052039 /nfs/dbraw/zinc/05/20/39/179052039.db2.gz LANUKEKUNJTXAB-RDBSUJKOSA-N 2 2 256.434 2.366 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085397838 179050103 /nfs/dbraw/zinc/05/01/03/179050103.db2.gz OWKCHZROBPVBSW-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)[C@@H]1C[N@H+]([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468376 179073316 /nfs/dbraw/zinc/07/33/16/179073316.db2.gz WTCMSBHGPPJIRS-KGLIPLIRSA-N 2 2 252.402 2.018 10 0 CEAELP CC(C)[C@@H]1C[N@@H+]([C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468376 179073319 /nfs/dbraw/zinc/07/33/19/179073319.db2.gz WTCMSBHGPPJIRS-KGLIPLIRSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@@H]1C[N@H+](CC2CCOCC2)C2(CCCCC2)C[NH2+]1 ZINC000085454506 179068129 /nfs/dbraw/zinc/06/81/29/179068129.db2.gz LZKITHKAKRGPHF-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@@H]1C[N@@H+](CC2CCOCC2)C2(CCCCC2)C[NH2+]1 ZINC000085454506 179068130 /nfs/dbraw/zinc/06/81/30/179068130.db2.gz LZKITHKAKRGPHF-CQSZACIVSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085498781 179083074 /nfs/dbraw/zinc/08/30/74/179083074.db2.gz GFMSFHJNMLURKF-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000085498781 179083075 /nfs/dbraw/zinc/08/30/75/179083075.db2.gz GFMSFHJNMLURKF-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529299 179090836 /nfs/dbraw/zinc/09/08/36/179090836.db2.gz AVEKUVZZOBNIMA-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529299 179090840 /nfs/dbraw/zinc/09/08/40/179090840.db2.gz AVEKUVZZOBNIMA-GOEBONIOSA-N 2 2 278.440 2.410 10 0 CEAELP COc1cccc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000085613100 179103447 /nfs/dbraw/zinc/10/34/47/179103447.db2.gz SZTVCJJEGGODDX-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP COc1cccc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)n1 ZINC000085613100 179103448 /nfs/dbraw/zinc/10/34/48/179103448.db2.gz SZTVCJJEGGODDX-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085626280 179106486 /nfs/dbraw/zinc/10/64/86/179106486.db2.gz OVFZBXPXQRQYQS-CMPLNLGQSA-N 2 2 280.334 2.028 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085626280 179106488 /nfs/dbraw/zinc/10/64/88/179106488.db2.gz OVFZBXPXQRQYQS-CMPLNLGQSA-N 2 2 280.334 2.028 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000085631017 179108053 /nfs/dbraw/zinc/10/80/53/179108053.db2.gz PPAAMOXWTUWCAX-QPSCCSFWSA-N 2 2 268.445 2.366 10 0 CEAELP C[NH2+][C@H](Cc1cc(Br)cs1)C[NH+](C)C ZINC000085798793 179173246 /nfs/dbraw/zinc/17/32/46/179173246.db2.gz YGZQWQWFCPYPQI-SECBINFHSA-N 2 2 277.231 2.203 10 0 CEAELP C[NH+](C)c1ccc(N2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086287333 179264672 /nfs/dbraw/zinc/26/46/72/179264672.db2.gz FUOXUINOTIMQEJ-MRXNPFEDSA-N 2 2 259.397 2.331 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297125 179267538 /nfs/dbraw/zinc/26/75/38/179267538.db2.gz WIIWEOZVRBMKJV-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297125 179267540 /nfs/dbraw/zinc/26/75/40/179267540.db2.gz WIIWEOZVRBMKJV-CYBMUJFWSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296380 179267845 /nfs/dbraw/zinc/26/78/45/179267845.db2.gz NYVCRXNCUHQWEM-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296380 179267849 /nfs/dbraw/zinc/26/78/49/179267849.db2.gz NYVCRXNCUHQWEM-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817431 179344825 /nfs/dbraw/zinc/34/48/25/179344825.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817431 179344827 /nfs/dbraw/zinc/34/48/27/179344827.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817427 179345044 /nfs/dbraw/zinc/34/50/44/179345044.db2.gz ZFFULUFZEJUXAG-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817427 179345046 /nfs/dbraw/zinc/34/50/46/179345046.db2.gz ZFFULUFZEJUXAG-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP COc1[nH+]ccc(N(C)C)c1N[C@@H]1CCC[N@H+](C)CC1 ZINC000086817644 179346167 /nfs/dbraw/zinc/34/61/67/179346167.db2.gz XAKMJICOBOIYAE-GFCCVEGCSA-N 2 2 278.400 2.052 10 0 CEAELP COc1[nH+]ccc(N(C)C)c1N[C@@H]1CCC[N@@H+](C)CC1 ZINC000086817644 179346169 /nfs/dbraw/zinc/34/61/69/179346169.db2.gz XAKMJICOBOIYAE-GFCCVEGCSA-N 2 2 278.400 2.052 10 0 CEAELP C[NH2+][C@@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833637 179350386 /nfs/dbraw/zinc/35/03/86/179350386.db2.gz HUEYVQJNXFCODA-ZDUSSCGKSA-N 2 2 253.415 2.290 10 0 CEAELP C[NH2+][C@@]1(c2nc(C)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833637 179350389 /nfs/dbraw/zinc/35/03/89/179350389.db2.gz HUEYVQJNXFCODA-ZDUSSCGKSA-N 2 2 253.415 2.290 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842819 179353410 /nfs/dbraw/zinc/35/34/10/179353410.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842819 179353412 /nfs/dbraw/zinc/35/34/12/179353412.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086842261 179353767 /nfs/dbraw/zinc/35/37/67/179353767.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000086842261 179353768 /nfs/dbraw/zinc/35/37/68/179353768.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCC3)CC1 ZINC000086851344 179360028 /nfs/dbraw/zinc/36/00/28/179360028.db2.gz SXTRCNNLKAZABK-AWEZNQCLSA-N 2 2 265.426 2.292 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH3+])(c2nc3c(s2)CCC3)CC1 ZINC000086851344 179360029 /nfs/dbraw/zinc/36/00/29/179360029.db2.gz SXTRCNNLKAZABK-AWEZNQCLSA-N 2 2 265.426 2.292 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891881 179366158 /nfs/dbraw/zinc/36/61/58/179366158.db2.gz RWJDIKZZKDYZMM-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C)CC1 ZINC000086891881 179366160 /nfs/dbraw/zinc/36/61/60/179366160.db2.gz RWJDIKZZKDYZMM-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP C[NH2+][C@H](CCCOC)Cc1[nH+]cc(C)c(OC)c1C ZINC000086969897 179370978 /nfs/dbraw/zinc/37/09/78/179370978.db2.gz QVILHIMATBFKJP-CYBMUJFWSA-N 2 2 266.385 2.264 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994655 179376016 /nfs/dbraw/zinc/37/60/16/179376016.db2.gz QWQUOIANXXWSDM-IUODEOHRSA-N 2 2 266.360 2.437 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)c(F)c1 ZINC000086994655 179376018 /nfs/dbraw/zinc/37/60/18/179376018.db2.gz QWQUOIANXXWSDM-IUODEOHRSA-N 2 2 266.360 2.437 10 0 CEAELP Cc1[nH]c(C[NH2+]CC2(O)CCC(C)(C)CC2)c[nH+]1 ZINC000087048222 179388235 /nfs/dbraw/zinc/38/82/35/179388235.db2.gz ZKANJSAIYKSGEP-UHFFFAOYSA-N 2 2 251.374 2.139 10 0 CEAELP CCSC[C@H]([NH3+])Cc1[nH+]cc(C)c(OC)c1C ZINC000087105621 179394622 /nfs/dbraw/zinc/39/46/22/179394622.db2.gz CQUKNQFTJZWFEV-LLVKDONJSA-N 2 2 254.399 2.330 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000087061246 179389566 /nfs/dbraw/zinc/38/95/66/179389566.db2.gz XIUZYBZLUVOGCT-HWOWSKLDSA-N 2 2 268.445 2.392 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@H]2CCCC[N@H+]2C)CC1 ZINC000087061246 179389567 /nfs/dbraw/zinc/38/95/67/179389567.db2.gz XIUZYBZLUVOGCT-HWOWSKLDSA-N 2 2 268.445 2.392 10 0 CEAELP c1cn([C@H]2C[N@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000616652379 348548435 /nfs/dbraw/zinc/54/84/35/348548435.db2.gz WPBBUTFYDVVBHQ-OAHLLOKOSA-N 2 2 257.337 2.304 10 0 CEAELP c1cn([C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c[nH+]1 ZINC000616652379 348548438 /nfs/dbraw/zinc/54/84/38/348548438.db2.gz WPBBUTFYDVVBHQ-OAHLLOKOSA-N 2 2 257.337 2.304 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922946 187398888 /nfs/dbraw/zinc/39/88/88/187398888.db2.gz STOMTOODRCHJHU-GJZGRUSLSA-N 3 2 255.450 2.085 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@@H]1CNc1cn[nH+]c2ccccc12 ZINC000089501323 179805372 /nfs/dbraw/zinc/80/53/72/179805372.db2.gz QZLROUBLTTWFJD-NWDGAFQWSA-N 2 2 256.353 2.417 10 0 CEAELP Fc1ccc2c(c1)C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)O2 ZINC000090892600 180055065 /nfs/dbraw/zinc/05/50/65/180055065.db2.gz IPAVJGYDARJFGR-HNNXBMFYSA-N 2 2 289.354 2.396 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893487 180055429 /nfs/dbraw/zinc/05/54/29/180055429.db2.gz GNQAJJMTMQLFJH-HNNXBMFYSA-N 2 2 280.387 2.449 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893487 180055431 /nfs/dbraw/zinc/05/54/31/180055431.db2.gz GNQAJJMTMQLFJH-HNNXBMFYSA-N 2 2 280.387 2.449 10 0 CEAELP CCC[N@H+](CC[NH2+]C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898931 180057886 /nfs/dbraw/zinc/05/78/86/180057886.db2.gz AUIVNMDBZHGCST-HNNXBMFYSA-N 2 2 262.397 2.230 10 0 CEAELP CCC[N@@H+](CC[NH2+]C)C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898931 180057889 /nfs/dbraw/zinc/05/78/89/180057889.db2.gz AUIVNMDBZHGCST-HNNXBMFYSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+]CC[N@H+](CC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898926 180058035 /nfs/dbraw/zinc/05/80/35/180058035.db2.gz DRBFOHZGGONEEN-OAHLLOKOSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+]CC[N@@H+](CC)C[C@H]1Cc2cc(C)ccc2O1 ZINC000090898926 180058039 /nfs/dbraw/zinc/05/80/39/180058039.db2.gz DRBFOHZGGONEEN-OAHLLOKOSA-N 2 2 262.397 2.230 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907536 180061631 /nfs/dbraw/zinc/06/16/31/180061631.db2.gz OFJYJJCGRUORTI-HLLBOEOZSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)(C)[NH2+]C[C@@]1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCOC1 ZINC000090907536 180061633 /nfs/dbraw/zinc/06/16/33/180061633.db2.gz OFJYJJCGRUORTI-HLLBOEOZSA-N 2 2 296.455 2.035 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958312 180074436 /nfs/dbraw/zinc/07/44/36/180074436.db2.gz WACQARIKFSSGGP-WDEREUQCSA-N 2 2 271.430 2.410 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958312 180074438 /nfs/dbraw/zinc/07/44/38/180074438.db2.gz WACQARIKFSSGGP-WDEREUQCSA-N 2 2 271.430 2.410 10 0 CEAELP C[N@H+](CCC(F)(F)F)Cc1csc(CC[NH3+])n1 ZINC000090958795 180074693 /nfs/dbraw/zinc/07/46/93/180074693.db2.gz CZPHZKJEDQCMKO-UHFFFAOYSA-N 2 2 267.320 2.029 10 0 CEAELP C[N@@H+](CCC(F)(F)F)Cc1csc(CC[NH3+])n1 ZINC000090958795 180074696 /nfs/dbraw/zinc/07/46/96/180074696.db2.gz CZPHZKJEDQCMKO-UHFFFAOYSA-N 2 2 267.320 2.029 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017608 180087349 /nfs/dbraw/zinc/08/73/49/180087349.db2.gz DUMWBLJEVDUANK-CQSZACIVSA-N 2 2 260.385 2.239 10 0 CEAELP CC(C)(C)NC(=O)C[C@@H](C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000091321603 180134572 /nfs/dbraw/zinc/13/45/72/180134572.db2.gz UWQRDVMPKBLEMC-AWEZNQCLSA-N 2 2 295.471 2.275 10 0 CEAELP CCC1(C)CC[NH+]([C@@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325440 180135039 /nfs/dbraw/zinc/13/50/39/180135039.db2.gz DEBHCEYQOCEXLD-OAHLLOKOSA-N 2 2 295.471 2.228 10 0 CEAELP CC(C)N1CCCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275674 180119244 /nfs/dbraw/zinc/11/92/44/180119244.db2.gz SGOUCLWIODQYHM-UKRRQHHQSA-N 2 2 262.401 2.481 10 0 CEAELP CC(C)[N@@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275674 180119245 /nfs/dbraw/zinc/11/92/45/180119245.db2.gz SGOUCLWIODQYHM-UKRRQHHQSA-N 2 2 262.401 2.481 10 0 CEAELP CC(C)[N@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275674 180119246 /nfs/dbraw/zinc/11/92/46/180119246.db2.gz SGOUCLWIODQYHM-UKRRQHHQSA-N 2 2 262.401 2.481 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N(Cc1ccco1)C1CC1 ZINC000091276441 180120260 /nfs/dbraw/zinc/12/02/60/180120260.db2.gz HJAZKLHRTLXRIP-HNNXBMFYSA-N 2 2 286.379 2.475 10 0 CEAELP Cn1c[nH+]cc1COc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000091278394 180121447 /nfs/dbraw/zinc/12/14/47/180121447.db2.gz DMZZNFLFHWFODV-OAHLLOKOSA-N 2 2 257.337 2.335 10 0 CEAELP Cc1csc([C@@H](C)[NH2+]CC[C@H]2CSCC[NH2+]2)n1 ZINC000091292346 180123834 /nfs/dbraw/zinc/12/38/34/180123834.db2.gz SSPUBOWCWVRIFC-MNOVXSKESA-N 2 2 271.455 2.197 10 0 CEAELP COC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000091437401 180155213 /nfs/dbraw/zinc/15/52/13/180155213.db2.gz PJUXWPHHPNKUFA-LBPRGKRZSA-N 2 2 259.353 2.305 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)CC1CC(O)C1 ZINC000091451821 180158812 /nfs/dbraw/zinc/15/88/12/180158812.db2.gz AEUKYDNXSOOFCG-AKUTZHFWSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)CC1CC(O)C1 ZINC000091451821 180158813 /nfs/dbraw/zinc/15/88/13/180158813.db2.gz AEUKYDNXSOOFCG-AKUTZHFWSA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)CC1CC(O)C1 ZINC000091451131 180159007 /nfs/dbraw/zinc/15/90/07/180159007.db2.gz RXNSYCQNKOUTQS-SJQFEJMWSA-N 2 2 266.385 2.069 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)CC1CC(O)C1 ZINC000091451131 180159009 /nfs/dbraw/zinc/15/90/09/180159009.db2.gz RXNSYCQNKOUTQS-SJQFEJMWSA-N 2 2 266.385 2.069 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)[N@H+](C)CC1CC(O)C1 ZINC000091464203 180163241 /nfs/dbraw/zinc/16/32/41/180163241.db2.gz SJWKHCYPBDMPTG-MHVXSEJMSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091464203 180163242 /nfs/dbraw/zinc/16/32/42/180163242.db2.gz SJWKHCYPBDMPTG-MHVXSEJMSA-N 2 2 276.424 2.476 10 0 CEAELP CCCc1[nH+]ccn1-c1cncc(C[NH2+]CC(C)C)n1 ZINC000091422545 180151474 /nfs/dbraw/zinc/15/14/74/180151474.db2.gz NDIKONYJEFSNLL-UHFFFAOYSA-N 2 2 273.384 2.360 10 0 CEAELP C[NH2+][C@@H](Cc1cccnc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091564805 180193654 /nfs/dbraw/zinc/19/36/54/180193654.db2.gz UEUPXZPMBHMKML-AWEZNQCLSA-N 2 2 276.428 2.059 10 0 CEAELP CCN(CC)[C@@](C)(CC)[C@@H](Cc1c[nH+]ccc1N)[NH2+]C ZINC000091599200 180202093 /nfs/dbraw/zinc/20/20/93/180202093.db2.gz CFMBWRIDKLRAKN-CVEARBPZSA-N 2 2 278.444 2.305 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1c[nH+]ccc1N)NC ZINC000091599200 180202094 /nfs/dbraw/zinc/20/20/94/180202094.db2.gz CFMBWRIDKLRAKN-CVEARBPZSA-N 2 2 278.444 2.305 10 0 CEAELP CC(C)n1c2cc(F)ccc2[nH+]c1C[C@@](C)(O)C[NH3+] ZINC000091522846 180178341 /nfs/dbraw/zinc/17/83/41/180178341.db2.gz FFHAGQZNSAPYRJ-CQSZACIVSA-N 2 2 265.332 2.009 10 0 CEAELP Cc1ccc2c(c1)[nH+]c(C[C@](C)(O)C[NH3+])n2C(C)C ZINC000091522011 180178347 /nfs/dbraw/zinc/17/83/47/180178347.db2.gz CZPGDMOONNELRC-HNNXBMFYSA-N 2 2 261.369 2.178 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCC1 ZINC000091536121 180182563 /nfs/dbraw/zinc/18/25/63/180182563.db2.gz LRPVCPXNHYTBGT-HNNXBMFYSA-N 3 2 290.455 2.449 10 0 CEAELP CCn1ncnc1C[C@H]([NH2+]C)C(CC)(CC)[NH+](CC)CC ZINC000091633874 180210077 /nfs/dbraw/zinc/21/00/77/180210077.db2.gz HLTPCQBTKNGMOR-AWEZNQCLSA-N 2 2 295.475 2.329 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCC1 ZINC000091638277 180212377 /nfs/dbraw/zinc/21/23/77/180212377.db2.gz WIJZHULWPYODJT-HNNXBMFYSA-N 3 2 290.455 2.449 10 0 CEAELP Cc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc(C(C)C)[nH+]1 ZINC000091673026 180224775 /nfs/dbraw/zinc/22/47/75/180224775.db2.gz HHVZFIURDKARIN-ZIAGYGMSSA-N 2 2 290.411 2.184 10 0 CEAELP Cc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc(C(C)C)[nH+]1 ZINC000091673026 180224776 /nfs/dbraw/zinc/22/47/76/180224776.db2.gz HHVZFIURDKARIN-ZIAGYGMSSA-N 2 2 290.411 2.184 10 0 CEAELP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@H]1C[N@H+](C)CCO1 ZINC000091680007 180225841 /nfs/dbraw/zinc/22/58/41/180225841.db2.gz XHMRCCYTOCTRGL-CYBMUJFWSA-N 2 2 288.395 2.073 10 0 CEAELP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@H]1C[N@@H+](C)CCO1 ZINC000091680007 180225845 /nfs/dbraw/zinc/22/58/45/180225845.db2.gz XHMRCCYTOCTRGL-CYBMUJFWSA-N 2 2 288.395 2.073 10 0 CEAELP CCC[NH2+][C@H](Cc1ncc(C)c(OC)c1C)C[NH+](C)C ZINC000091719919 180234094 /nfs/dbraw/zinc/23/40/94/180234094.db2.gz FPYMRTCRNIROHL-CQSZACIVSA-N 2 2 279.428 2.179 10 0 CEAELP C[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)C[NH+](C)C ZINC000091719663 180234144 /nfs/dbraw/zinc/23/41/44/180234144.db2.gz AFJPNOULEKHVDN-GFCCVEGCSA-N 2 2 260.303 2.398 10 0 CEAELP CCC[NH2+][C@H](Cc1c(Cl)c(C)nn1CC)C[NH+](C)C ZINC000091720045 180235386 /nfs/dbraw/zinc/23/53/86/180235386.db2.gz HSTHQQOHSSUUQB-GFCCVEGCSA-N 2 2 286.851 2.337 10 0 CEAELP CC[NH2+][C@H](c1ccccc1F)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721773 180237708 /nfs/dbraw/zinc/23/77/08/180237708.db2.gz YUNNLMCUSURNKY-UHOFOFEASA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1ccccc1F)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721773 180237709 /nfs/dbraw/zinc/23/77/09/180237709.db2.gz YUNNLMCUSURNKY-UHOFOFEASA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721239 180238372 /nfs/dbraw/zinc/23/83/72/180238372.db2.gz JNKHDTOIHLRCCJ-KCPJHIHWSA-N 2 2 282.334 2.089 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721239 180238374 /nfs/dbraw/zinc/23/83/74/180238374.db2.gz JNKHDTOIHLRCCJ-KCPJHIHWSA-N 2 2 282.334 2.089 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1CC[NH2+]C(C)(C)C ZINC000091723695 180242497 /nfs/dbraw/zinc/24/24/97/180242497.db2.gz IVYZEHNQGWVNJZ-UHFFFAOYSA-N 2 2 264.417 2.086 10 0 CEAELP CC[N@H+](Cc1nnsc1Cl)C1CCC([NH3+])CC1 ZINC000091851101 180272029 /nfs/dbraw/zinc/27/20/29/180272029.db2.gz FULADHDGWSEGEL-UHFFFAOYSA-N 2 2 274.821 2.283 10 0 CEAELP CC[N@@H+](Cc1nnsc1Cl)C1CCC([NH3+])CC1 ZINC000091851101 180272030 /nfs/dbraw/zinc/27/20/30/180272030.db2.gz FULADHDGWSEGEL-UHFFFAOYSA-N 2 2 274.821 2.283 10 0 CEAELP [NH3+]C[C@]1([C@@H](O)c2c[nH+]cn2C2CC2)CCc2ccccc21 ZINC000091926590 180287648 /nfs/dbraw/zinc/28/76/48/180287648.db2.gz JXEOMERSFGNWPC-DLBZAZTESA-N 2 2 283.375 2.094 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)c(OC)c1 ZINC000092083487 180320139 /nfs/dbraw/zinc/32/01/39/180320139.db2.gz WVJQGXCBEWGQGF-HUBLWGQQSA-N 2 2 278.396 2.291 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C1CC1 ZINC000092087577 180320992 /nfs/dbraw/zinc/32/09/92/180320992.db2.gz SJRKBYCJCGWZLG-VBQJREDUSA-N 2 2 296.455 2.428 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C1CC1 ZINC000092087577 180320995 /nfs/dbraw/zinc/32/09/95/180320995.db2.gz SJRKBYCJCGWZLG-VBQJREDUSA-N 2 2 296.455 2.428 10 0 CEAELP c1ccc(SCC[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000092242463 180351243 /nfs/dbraw/zinc/35/12/43/180351243.db2.gz RNUVFNUIVBPJRV-UHFFFAOYSA-N 2 2 280.437 2.091 10 0 CEAELP COCC[N@H+](C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275477 180356593 /nfs/dbraw/zinc/35/65/93/180356593.db2.gz HTVLUJLRPMHWOJ-ZDUSSCGKSA-N 2 2 280.437 2.044 10 0 CEAELP COCC[N@@H+](C)CC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092275477 180356594 /nfs/dbraw/zinc/35/65/94/180356594.db2.gz HTVLUJLRPMHWOJ-ZDUSSCGKSA-N 2 2 280.437 2.044 10 0 CEAELP CCCNc1cccc(CN2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000092369989 180369687 /nfs/dbraw/zinc/36/96/87/180369687.db2.gz FWNJKKKTQGLKDD-UHFFFAOYSA-N 2 2 274.412 2.184 10 0 CEAELP CCNc1cccc(CN(C)[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000092370220 180369821 /nfs/dbraw/zinc/36/98/21/180369821.db2.gz GMFYSLRZDZWORL-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN(C)[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000092370220 180369822 /nfs/dbraw/zinc/36/98/22/180369822.db2.gz GMFYSLRZDZWORL-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000105897775 186085561 /nfs/dbraw/zinc/08/55/61/186085561.db2.gz UTUDPFRADVGTED-AWEZNQCLSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000105897775 186085563 /nfs/dbraw/zinc/08/55/63/186085563.db2.gz UTUDPFRADVGTED-AWEZNQCLSA-N 2 2 273.384 2.016 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](CC)[C@H](C)COC)c1 ZINC000092418346 180380971 /nfs/dbraw/zinc/38/09/71/180380971.db2.gz JHDCUAPDXKRBOY-GFCCVEGCSA-N 2 2 251.374 2.370 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](CC)[C@H](C)COC)c1 ZINC000092418346 180380973 /nfs/dbraw/zinc/38/09/73/180380973.db2.gz JHDCUAPDXKRBOY-GFCCVEGCSA-N 2 2 251.374 2.370 10 0 CEAELP CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1[N@H+](C)CCOC ZINC000092385710 180374169 /nfs/dbraw/zinc/37/41/69/180374169.db2.gz XQOFVVFOVTTYMD-IAGOWNOFSA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@@H]1c2cc(OC)ccc2CC[C@H]1[N@@H+](C)CCOC ZINC000092385710 180374171 /nfs/dbraw/zinc/37/41/71/180374171.db2.gz XQOFVVFOVTTYMD-IAGOWNOFSA-N 2 2 292.423 2.239 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154583 186360671 /nfs/dbraw/zinc/36/06/71/186360671.db2.gz DMTYUFRHPUSYLM-CWRNSKLLSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154583 186360673 /nfs/dbraw/zinc/36/06/73/186360673.db2.gz DMTYUFRHPUSYLM-CWRNSKLLSA-N 2 2 277.412 2.218 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccs1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154642 186360680 /nfs/dbraw/zinc/36/06/80/186360680.db2.gz ZGYDEEDUDOMXNM-OBJOEFQTSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154642 186360681 /nfs/dbraw/zinc/36/06/81/186360681.db2.gz ZGYDEEDUDOMXNM-OBJOEFQTSA-N 2 2 268.426 2.495 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154665 186360909 /nfs/dbraw/zinc/36/09/09/186360909.db2.gz NGIIEKXXMQNOAP-STQMWFEESA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccsc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154665 186360910 /nfs/dbraw/zinc/36/09/10/186360910.db2.gz NGIIEKXXMQNOAP-STQMWFEESA-N 2 2 268.426 2.415 10 0 CEAELP CCOCC[N@H+](CC)[C@@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117837 186354666 /nfs/dbraw/zinc/35/46/66/186354666.db2.gz CTXFNGDINDBFHT-QGZVFWFLSA-N 2 2 294.439 2.314 10 0 CEAELP CCOCC[N@@H+](CC)[C@@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117837 186354668 /nfs/dbraw/zinc/35/46/68/186354668.db2.gz CTXFNGDINDBFHT-QGZVFWFLSA-N 2 2 294.439 2.314 10 0 CEAELP CN(CCC[NH+](C)C)c1ccc2cc(N)ccc2[nH+]1 ZINC000111132318 186356483 /nfs/dbraw/zinc/35/64/83/186356483.db2.gz HXYSJMXLOAYDQX-UHFFFAOYSA-N 2 2 258.369 2.205 10 0 CEAELP CCOc1ccccc1[C@H](O)C[N@H+](C)CCC[NH+](C)C ZINC000111143774 186359252 /nfs/dbraw/zinc/35/92/52/186359252.db2.gz JHMHPQFQSKBSSC-OAHLLOKOSA-N 2 2 280.412 2.002 10 0 CEAELP CCOc1ccccc1[C@H](O)C[N@@H+](C)CCC[NH+](C)C ZINC000111143774 186359254 /nfs/dbraw/zinc/35/92/54/186359254.db2.gz JHMHPQFQSKBSSC-OAHLLOKOSA-N 2 2 280.412 2.002 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)CCC[NH+](C)C ZINC000111148068 186359383 /nfs/dbraw/zinc/35/93/83/186359383.db2.gz WFNDLEDTTNEPIR-HNNXBMFYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)CCC[NH+](C)C ZINC000111148068 186359385 /nfs/dbraw/zinc/35/93/85/186359385.db2.gz WFNDLEDTTNEPIR-HNNXBMFYSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111150044 186359814 /nfs/dbraw/zinc/35/98/14/186359814.db2.gz IOJFDKIETUAPFJ-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP CCC[NH2+]Cc1coc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111150044 186359816 /nfs/dbraw/zinc/35/98/16/186359816.db2.gz IOJFDKIETUAPFJ-UHFFFAOYSA-N 3 2 267.417 2.163 10 0 CEAELP C[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000111244047 186376452 /nfs/dbraw/zinc/37/64/52/186376452.db2.gz KDNFSGTTXRJWGA-QGZVFWFLSA-N 2 2 285.391 2.428 10 0 CEAELP CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070451668 363083478 /nfs/dbraw/zinc/08/34/78/363083478.db2.gz QXXFHQMLMKMDBC-UHFFFAOYSA-N 2 2 286.354 2.255 10 0 CEAELP Cc1[nH+]c(-c2ccncc2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000070456504 363084856 /nfs/dbraw/zinc/08/48/56/363084856.db2.gz NXENZUWZKJXLOH-AWEZNQCLSA-N 2 2 283.379 2.319 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326248 366640278 /nfs/dbraw/zinc/64/02/78/366640278.db2.gz OBTRYZOVBICLJP-ZBFHGGJFSA-N 2 2 292.423 2.193 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000151349990 366641553 /nfs/dbraw/zinc/64/15/53/366641553.db2.gz DLFIOUXKJAOLPH-ZIAGYGMSSA-N 2 2 280.412 2.339 10 0 CEAELP Cc1csc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000581619081 366802321 /nfs/dbraw/zinc/80/23/21/366802321.db2.gz XTVMYGNWHXMAHM-WOPDTQHZSA-N 2 2 253.415 2.490 10 0 CEAELP [NH3+]CC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000026012300 361634159 /nfs/dbraw/zinc/63/41/59/361634159.db2.gz FRGNWIPYAKQYQL-DLBZAZTESA-N 2 2 250.345 2.479 10 0 CEAELP C[NH2+][C@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075705 364332957 /nfs/dbraw/zinc/33/29/57/364332957.db2.gz ABIPJBCGWZQDKB-CVEARBPZSA-N 2 2 262.397 2.012 10 0 CEAELP C[NH2+][C@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075705 364332962 /nfs/dbraw/zinc/33/29/62/364332962.db2.gz ABIPJBCGWZQDKB-CVEARBPZSA-N 2 2 262.397 2.012 10 0 CEAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247004023 371045541 /nfs/dbraw/zinc/04/55/41/371045541.db2.gz LUDVXDLPAISGLS-LUYZLQTOSA-N 2 2 259.397 2.290 10 0 CEAELP C[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000247004023 371045545 /nfs/dbraw/zinc/04/55/45/371045545.db2.gz LUDVXDLPAISGLS-LUYZLQTOSA-N 2 2 259.397 2.290 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)C2CC2)C12CCOCC2 ZINC000248913124 371269874 /nfs/dbraw/zinc/26/98/74/371269874.db2.gz CMAWTSNBLZUARI-HZPDHXFCSA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)C2CC2)C12CCOCC2 ZINC000248913124 371269879 /nfs/dbraw/zinc/26/98/79/371269879.db2.gz CMAWTSNBLZUARI-HZPDHXFCSA-N 2 2 296.455 2.035 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000252480416 371441363 /nfs/dbraw/zinc/44/13/63/371441363.db2.gz BCYQBFLAUDXKEV-ZIAGYGMSSA-N 2 2 293.411 2.424 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000252480416 371441365 /nfs/dbraw/zinc/44/13/65/371441365.db2.gz BCYQBFLAUDXKEV-ZIAGYGMSSA-N 2 2 293.411 2.424 10 0 CEAELP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000261605779 371675552 /nfs/dbraw/zinc/67/55/52/371675552.db2.gz BDBYDALMICGVIM-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1cccc([C@@H]2CCC[N@H+]2Cc2noc(C[NH3+])n2)c1 ZINC000261605779 371675559 /nfs/dbraw/zinc/67/55/59/371675559.db2.gz BDBYDALMICGVIM-ZDUSSCGKSA-N 2 2 272.352 2.174 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2nccc3ccccc32)CC1 ZINC000259538104 371626447 /nfs/dbraw/zinc/62/64/47/371626447.db2.gz QVUJQTUGIXWHBC-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261689203 371701906 /nfs/dbraw/zinc/70/19/06/371701906.db2.gz IXZOZDSHHLLYAU-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP Cc1ccccc1[C@H]1CCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261689203 371701911 /nfs/dbraw/zinc/70/19/11/371701911.db2.gz IXZOZDSHHLLYAU-CYBMUJFWSA-N 2 2 272.352 2.174 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1[NH3+] ZINC000261980389 371788036 /nfs/dbraw/zinc/78/80/36/371788036.db2.gz JEJIPUWJPANXQU-CMPLNLGQSA-N 2 2 288.313 2.407 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1[NH3+] ZINC000261980389 371788042 /nfs/dbraw/zinc/78/80/42/371788042.db2.gz JEJIPUWJPANXQU-CMPLNLGQSA-N 2 2 288.313 2.407 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262012329 371799603 /nfs/dbraw/zinc/79/96/03/371799603.db2.gz MJDBBFMSEQDJHA-SWLSCSKDSA-N 2 2 270.380 2.164 10 0 CEAELP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000262012329 371799607 /nfs/dbraw/zinc/79/96/07/371799607.db2.gz MJDBBFMSEQDJHA-SWLSCSKDSA-N 2 2 270.380 2.164 10 0 CEAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000262653178 371890998 /nfs/dbraw/zinc/89/09/98/371890998.db2.gz SJWWZUYYHFQWGL-ZWNOBZJWSA-N 2 2 272.352 2.389 10 0 CEAELP COCC1CC[NH+]([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000070981800 184573789 /nfs/dbraw/zinc/57/37/89/184573789.db2.gz XJZZOJQCVMAWLN-INIZCTEOSA-N 2 2 262.397 2.353 10 0 CEAELP O[C@@H]1CCCC[C@@H]1[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744673 285311798 /nfs/dbraw/zinc/31/17/98/285311798.db2.gz UCNMLDLPQJEYAF-XOKHGSTOSA-N 2 2 289.423 2.312 10 0 CEAELP O[C@@H]1CCCC[C@@H]1[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299744673 285311799 /nfs/dbraw/zinc/31/17/99/285311799.db2.gz UCNMLDLPQJEYAF-XOKHGSTOSA-N 2 2 289.423 2.312 10 0 CEAELP CC[NH2+]CCc1cn(C[C@@H]2Cc3cc(F)ccc3O2)c[nH+]1 ZINC000094530024 184814502 /nfs/dbraw/zinc/81/45/02/184814502.db2.gz DKAPNBBRDOUCGC-HNNXBMFYSA-N 2 2 289.354 2.178 10 0 CEAELP CCOC(=O)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896138 130036810 /nfs/dbraw/zinc/03/68/10/130036810.db2.gz ZTBGMRJXLGYJNY-ZDUSSCGKSA-N 2 2 287.363 2.476 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+][C@H](C[NH+](C)C)c2ccccc2)CCO1 ZINC000252218736 131133213 /nfs/dbraw/zinc/13/32/13/131133213.db2.gz ZUVPFUZIJSJHIQ-VNQPRFMTSA-N 2 2 262.397 2.446 10 0 CEAELP [NH3+]Cc1cc(N2CCC(C(F)(F)F)CC2)cc[nH+]1 ZINC000088416235 135054159 /nfs/dbraw/zinc/05/41/59/135054159.db2.gz KNLCIZUNHMPKBA-UHFFFAOYSA-N 2 2 259.275 2.319 10 0 CEAELP C[NH+](C)[C@@H]1CCCN(c2c(C[NH3+])c[nH+]c3ccccc32)C1 ZINC000091393287 135068207 /nfs/dbraw/zinc/06/82/07/135068207.db2.gz VAVWOOAANCOEDW-CQSZACIVSA-N 3 2 284.407 2.224 10 0 CEAELP C[C@H]([C@@H](C)C[NH3+])[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000093068716 135078791 /nfs/dbraw/zinc/07/87/91/135078791.db2.gz UKHXLAYPUYQFCU-QWHCGFSZSA-N 2 2 281.831 2.445 10 0 CEAELP C[NH2+]C[C@H](C)[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093068232 135079114 /nfs/dbraw/zinc/07/91/14/135079114.db2.gz SRKDKXJZAJULRI-KBPBESRZSA-N 2 2 279.403 2.192 10 0 CEAELP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000093463211 135080888 /nfs/dbraw/zinc/08/08/88/135080888.db2.gz IBJAQKHMIZMEPH-GOEBONIOSA-N 3 2 288.439 2.171 10 0 CEAELP CCn1ccnc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516053 153292803 /nfs/dbraw/zinc/29/28/03/153292803.db2.gz WRWYUGGUTOSEOS-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1ccnc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195516053 153292805 /nfs/dbraw/zinc/29/28/05/153292805.db2.gz WRWYUGGUTOSEOS-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP Cc1noc(C)c1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000166748002 162355115 /nfs/dbraw/zinc/35/51/15/162355115.db2.gz FSMFJVNDOBYOBR-HNNXBMFYSA-N 2 2 287.363 2.382 10 0 CEAELP Cc1noc(C)c1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000166748002 162355118 /nfs/dbraw/zinc/35/51/18/162355118.db2.gz FSMFJVNDOBYOBR-HNNXBMFYSA-N 2 2 287.363 2.382 10 0 CEAELP CCCn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000180126919 165298891 /nfs/dbraw/zinc/29/88/91/165298891.db2.gz LARCGDFLEZWUTP-INIZCTEOSA-N 2 2 287.411 2.463 10 0 CEAELP CCCn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000180126919 165298896 /nfs/dbraw/zinc/29/88/96/165298896.db2.gz LARCGDFLEZWUTP-INIZCTEOSA-N 2 2 287.411 2.463 10 0 CEAELP [NH3+][C@H](Cc1c[nH+]c[nH]1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374757 171170575 /nfs/dbraw/zinc/17/05/75/171170575.db2.gz WPRDJZAJVINGEW-SECBINFHSA-N 2 2 261.716 2.182 10 0 CEAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325590 173126637 /nfs/dbraw/zinc/12/66/37/173126637.db2.gz HSUDDVJAFWAZEB-AAEUAGOBSA-N 2 2 262.353 2.290 10 0 CEAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325590 173126639 /nfs/dbraw/zinc/12/66/39/173126639.db2.gz HSUDDVJAFWAZEB-AAEUAGOBSA-N 2 2 262.353 2.290 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000040672701 174371384 /nfs/dbraw/zinc/37/13/84/174371384.db2.gz ZTKSVXOGDTWRAN-ZBFHGGJFSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672701 174371385 /nfs/dbraw/zinc/37/13/85/174371385.db2.gz ZTKSVXOGDTWRAN-ZBFHGGJFSA-N 3 2 267.461 2.181 10 0 CEAELP CCc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750265 174394947 /nfs/dbraw/zinc/39/49/47/174394947.db2.gz XQXFOKJHAXYDLQ-VHRNVKJDSA-N 2 2 287.407 2.142 10 0 CEAELP CCc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750265 174394948 /nfs/dbraw/zinc/39/49/48/174394948.db2.gz XQXFOKJHAXYDLQ-VHRNVKJDSA-N 2 2 287.407 2.142 10 0 CEAELP CCCc1cc(NCC(C)(C)C[NH+](C)C)nc[nH+]1 ZINC000040765546 174397611 /nfs/dbraw/zinc/39/76/11/174397611.db2.gz IXQHKVHQYUIHGH-UHFFFAOYSA-N 2 2 250.390 2.429 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043324185 175006412 /nfs/dbraw/zinc/00/64/12/175006412.db2.gz OVWOFADGIWWFIE-AWEZNQCLSA-N 2 2 299.459 2.317 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335414 175011179 /nfs/dbraw/zinc/01/11/79/175011179.db2.gz HBDIFGLPRKUKLH-DOMZBBRYSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335414 175011181 /nfs/dbraw/zinc/01/11/81/175011181.db2.gz HBDIFGLPRKUKLH-DOMZBBRYSA-N 2 2 259.353 2.237 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353859 175020825 /nfs/dbraw/zinc/02/08/25/175020825.db2.gz JUMIUHHLGQIDCC-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353859 175020826 /nfs/dbraw/zinc/02/08/26/175020826.db2.gz JUMIUHHLGQIDCC-IRXDYDNUSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+]1CCCSCC1 ZINC000043354051 175021457 /nfs/dbraw/zinc/02/14/57/175021457.db2.gz LZKZKXZPHOYILT-UONOGXRCSA-N 2 2 265.426 2.299 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+]1CCCSCC1 ZINC000043354051 175021459 /nfs/dbraw/zinc/02/14/59/175021459.db2.gz LZKZKXZPHOYILT-UONOGXRCSA-N 2 2 265.426 2.299 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811473 175110703 /nfs/dbraw/zinc/11/07/03/175110703.db2.gz CKLANGMEPUZGNY-AHDPXTMNSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811473 175110704 /nfs/dbraw/zinc/11/07/04/175110704.db2.gz CKLANGMEPUZGNY-AHDPXTMNSA-N 2 2 254.418 2.262 10 0 CEAELP C[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000043819725 175113906 /nfs/dbraw/zinc/11/39/06/175113906.db2.gz FIVCQDKKCHYDND-MSOLQXFVSA-N 2 2 288.435 2.318 10 0 CEAELP [NH3+]CC1([N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000045071046 175301076 /nfs/dbraw/zinc/30/10/76/175301076.db2.gz LOCFWORVGIMGCN-CQSZACIVSA-N 2 2 252.402 2.149 10 0 CEAELP [NH3+]CC1([N@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000045071046 175301077 /nfs/dbraw/zinc/30/10/77/175301077.db2.gz LOCFWORVGIMGCN-CQSZACIVSA-N 2 2 252.402 2.149 10 0 CEAELP Cc1c(C)n(CCCCn2cc[nH+]c2)c2nc[nH+]c(N)c12 ZINC000045109071 175309346 /nfs/dbraw/zinc/30/93/46/175309346.db2.gz UKMZFMPTSXNGGX-UHFFFAOYSA-N 2 2 284.367 2.307 10 0 CEAELP CCC[NH2+]C1CC[NH+](C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135355 175313015 /nfs/dbraw/zinc/31/30/15/175313015.db2.gz GJZOWKULQFVJAW-OAHLLOKOSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH2+]C1CC[NH+](C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000045135355 175313017 /nfs/dbraw/zinc/31/30/17/175313017.db2.gz GJZOWKULQFVJAW-OAHLLOKOSA-N 3 2 267.461 2.181 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376070 175366515 /nfs/dbraw/zinc/36/65/15/175366515.db2.gz QOQWRMLDAQZORE-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376070 175366517 /nfs/dbraw/zinc/36/65/17/175366517.db2.gz QOQWRMLDAQZORE-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP COC(=O)[C@](C)(CCCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375288 175366660 /nfs/dbraw/zinc/36/66/60/175366660.db2.gz QLRBIBYQILHGSD-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045387145 175372678 /nfs/dbraw/zinc/37/26/78/175372678.db2.gz CTEOZEMAEMRNRP-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](CC)CCC[C@](C)([NH2+]C1CC1)C(=O)OC ZINC000045387145 175372679 /nfs/dbraw/zinc/37/26/79/175372679.db2.gz CTEOZEMAEMRNRP-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000658351296 415332126 /nfs/dbraw/zinc/33/21/26/415332126.db2.gz MTNSIPBNBFGHQX-DNOWBOINSA-N 2 2 271.364 2.294 10 0 CEAELP OCC1CC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000658352840 415333037 /nfs/dbraw/zinc/33/30/37/415333037.db2.gz ZIRCKQHXKZONOX-AQFXKWCLSA-N 2 2 274.408 2.012 10 0 CEAELP OCC1CC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658352840 415333045 /nfs/dbraw/zinc/33/30/45/415333045.db2.gz ZIRCKQHXKZONOX-AQFXKWCLSA-N 2 2 274.408 2.012 10 0 CEAELP CC[C@]1(C)C[C@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000070988084 176018700 /nfs/dbraw/zinc/01/87/00/176018700.db2.gz HKRQUDITXLDAAI-RBSFLKMASA-N 2 2 252.402 2.018 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOCC2(C)C)C1 ZINC000071123754 176035085 /nfs/dbraw/zinc/03/50/85/176035085.db2.gz RRJYBNKHNSCKHA-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOCC2(C)C)C1 ZINC000071123754 176035086 /nfs/dbraw/zinc/03/50/86/176035086.db2.gz RRJYBNKHNSCKHA-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000071124735 176035240 /nfs/dbraw/zinc/03/52/40/176035240.db2.gz MCDBDWXFDMCGKW-DZGCQCFKSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C2CCOCC2)C1 ZINC000071123460 176035283 /nfs/dbraw/zinc/03/52/83/176035283.db2.gz KQESDUJWPBDAPT-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C2CCOCC2)C1 ZINC000071123460 176035284 /nfs/dbraw/zinc/03/52/84/176035284.db2.gz KQESDUJWPBDAPT-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145739 176042011 /nfs/dbraw/zinc/04/20/11/176042011.db2.gz POLSMTTVEQOLEF-ZDUSSCGKSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000071145739 176042012 /nfs/dbraw/zinc/04/20/12/176042012.db2.gz POLSMTTVEQOLEF-ZDUSSCGKSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147533 176043658 /nfs/dbraw/zinc/04/36/58/176043658.db2.gz LAIVGVIWRWUIIA-CYBMUJFWSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147533 176043659 /nfs/dbraw/zinc/04/36/59/176043659.db2.gz LAIVGVIWRWUIIA-CYBMUJFWSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1F ZINC000071191263 176069292 /nfs/dbraw/zinc/06/92/92/176069292.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1F ZINC000071191263 176069293 /nfs/dbraw/zinc/06/92/93/176069293.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC000071191263 176069294 /nfs/dbraw/zinc/06/92/94/176069294.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1F ZINC000071191263 176069296 /nfs/dbraw/zinc/06/92/96/176069296.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198307 176077151 /nfs/dbraw/zinc/07/71/51/176077151.db2.gz UMUOIKFKEDIVIA-GJZGRUSLSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198307 176077152 /nfs/dbraw/zinc/07/71/52/176077152.db2.gz UMUOIKFKEDIVIA-GJZGRUSLSA-N 3 2 255.450 2.181 10 0 CEAELP CCn1cc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309800 176116848 /nfs/dbraw/zinc/11/68/48/176116848.db2.gz SVJNNIFVBHRIAR-CQSZACIVSA-N 2 2 257.381 2.455 10 0 CEAELP CCn1cc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000071309800 176116849 /nfs/dbraw/zinc/11/68/49/176116849.db2.gz SVJNNIFVBHRIAR-CQSZACIVSA-N 2 2 257.381 2.455 10 0 CEAELP CC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)[C@H](C2CC2)C[NH2+]1 ZINC000071344178 176131063 /nfs/dbraw/zinc/13/10/63/176131063.db2.gz HVUORDXGTSWUSZ-ZBFHGGJFSA-N 2 2 284.407 2.297 10 0 CEAELP CC[C@H](C)[C@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071355679 176136956 /nfs/dbraw/zinc/13/69/56/176136956.db2.gz KOEMUBYPJHSCBN-LSDHHAIUSA-N 2 2 278.444 2.372 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)CN1CCCn1cc[nH+]c1 ZINC000071359253 176137251 /nfs/dbraw/zinc/13/72/51/176137251.db2.gz IECJOTMUKKATPJ-OAHLLOKOSA-N 2 2 276.428 2.270 10 0 CEAELP CCC[N@H+](CC[NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000076680203 177058101 /nfs/dbraw/zinc/05/81/01/177058101.db2.gz WTUHKFFEALHYKD-UHFFFAOYSA-N 2 2 264.369 2.019 10 0 CEAELP CCC[N@@H+](CC[NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000076680203 177058102 /nfs/dbraw/zinc/05/81/02/177058102.db2.gz WTUHKFFEALHYKD-UHFFFAOYSA-N 2 2 264.369 2.019 10 0 CEAELP [NH3+]CCc1c[nH+]cn1-c1ccc(Br)cc1 ZINC000076699535 177062161 /nfs/dbraw/zinc/06/21/61/177062161.db2.gz GAXKQOZMPPXHPU-UHFFFAOYSA-N 2 2 266.142 2.136 10 0 CEAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396531985 270349203 /nfs/dbraw/zinc/34/92/03/270349203.db2.gz HPRNFAXJTPWZOM-OZVIIMIRSA-N 2 2 275.396 2.436 10 0 CEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1CC[NH2+]CC1 ZINC000053994917 273692654 /nfs/dbraw/zinc/69/26/54/273692654.db2.gz TUCPKRGREFVSNP-UHFFFAOYSA-N 2 2 299.374 2.130 10 0 CEAELP CC(C)OC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000185853404 280127431 /nfs/dbraw/zinc/12/74/31/280127431.db2.gz WDNZEILQFJZZHW-PPWQZUPISA-N 2 2 254.418 2.261 10 0 CEAELP CC(C)OC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000185853404 280127434 /nfs/dbraw/zinc/12/74/34/280127434.db2.gz WDNZEILQFJZZHW-PPWQZUPISA-N 2 2 254.418 2.261 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175045560 281192503 /nfs/dbraw/zinc/19/25/03/281192503.db2.gz HFUDOWSZBQZRTG-LSDHHAIUSA-N 2 2 298.390 2.033 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175045560 281192504 /nfs/dbraw/zinc/19/25/04/281192504.db2.gz HFUDOWSZBQZRTG-LSDHHAIUSA-N 2 2 298.390 2.033 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481779 519960019 /nfs/dbraw/zinc/96/00/19/519960019.db2.gz OKTSDLZESIOGRF-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1CCOC(C)(C)C1 ZINC000052481779 519960025 /nfs/dbraw/zinc/96/00/25/519960025.db2.gz OKTSDLZESIOGRF-UHFFFAOYSA-N 2 2 266.385 2.390 10 0 CEAELP CCC[NH2+][C@H](C[N@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074226 520082218 /nfs/dbraw/zinc/08/22/18/520082218.db2.gz QYVMVEMJLYZTDV-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@H](C[N@@H+](CC)C[C@@H]1CCCO1)C1CC1 ZINC000069074226 520082230 /nfs/dbraw/zinc/08/22/30/520082230.db2.gz QYVMVEMJLYZTDV-LSDHHAIUSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000400534028 534025018 /nfs/dbraw/zinc/02/50/18/534025018.db2.gz SNTRSHWNVZYLBG-STQMWFEESA-N 2 2 260.385 2.092 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cn1cc[nH+]c1 ZINC000054629518 519908871 /nfs/dbraw/zinc/90/88/71/519908871.db2.gz XBEDFMGGPDFNFN-HNSVSWJLSA-N 3 2 276.428 2.267 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cn1cc[nH+]c1 ZINC000054629518 519908874 /nfs/dbraw/zinc/90/88/74/519908874.db2.gz XBEDFMGGPDFNFN-HNSVSWJLSA-N 3 2 276.428 2.267 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)N[C@@H](C)CC ZINC000054602815 519909727 /nfs/dbraw/zinc/90/97/27/519909727.db2.gz CGEUWYNWDSQUOG-HNSVSWJLSA-N 2 2 295.471 2.286 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)N[C@@H](C)CC ZINC000054602815 519909731 /nfs/dbraw/zinc/90/97/31/519909731.db2.gz CGEUWYNWDSQUOG-HNSVSWJLSA-N 2 2 295.471 2.286 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@H+](CC)[C@H](C)COC)cs1 ZINC000052504652 519965435 /nfs/dbraw/zinc/96/54/35/519965435.db2.gz BGMTYMMIOFMKTO-GFCCVEGCSA-N 2 2 285.457 2.500 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@@H+](CC)[C@H](C)COC)cs1 ZINC000052504652 519965443 /nfs/dbraw/zinc/96/54/43/519965443.db2.gz BGMTYMMIOFMKTO-GFCCVEGCSA-N 2 2 285.457 2.500 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540183 519989285 /nfs/dbraw/zinc/98/92/85/519989285.db2.gz HHYIAMGDMIMAAE-HOTGVXAUSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)oc1C ZINC000052540183 519989292 /nfs/dbraw/zinc/98/92/92/519989292.db2.gz HHYIAMGDMIMAAE-HOTGVXAUSA-N 2 2 278.396 2.451 10 0 CEAELP CC[NH2+][C@@H](C)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061270308 520069318 /nfs/dbraw/zinc/06/93/18/520069318.db2.gz MCFSLLRHRMGBIR-LBPRGKRZSA-N 2 2 272.352 2.199 10 0 CEAELP CC[N@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052511138 521268937 /nfs/dbraw/zinc/26/89/37/521268937.db2.gz NZAQYUUFUCNKTL-CVEARBPZSA-N 2 2 262.397 2.448 10 0 CEAELP CC[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052511138 521268939 /nfs/dbraw/zinc/26/89/39/521268939.db2.gz NZAQYUUFUCNKTL-CVEARBPZSA-N 2 2 262.397 2.448 10 0 CEAELP CCOC(=O)[C@](Cn1cc[nH+]c1CC)([NH2+]C(C)C)C1CC1 ZINC000069193308 521345297 /nfs/dbraw/zinc/34/52/97/521345297.db2.gz PXOQKIKAHSSQBQ-MRXNPFEDSA-N 2 2 293.411 2.155 10 0 CEAELP C[NH2+]Cc1cc(Cn2c[nH+]c3cc(C)c(C)cc32)on1 ZINC000052575651 522112127 /nfs/dbraw/zinc/11/21/27/522112127.db2.gz RLIOHBOSSXHMDT-UHFFFAOYSA-N 2 2 270.336 2.409 10 0 CEAELP CCc1[nH+]c2cc(N)ccc2n1[C@@H](C)C[NH+]1CCOCC1 ZINC000052854844 522487148 /nfs/dbraw/zinc/48/71/48/522487148.db2.gz PMZYEMHRAVNHBX-LBPRGKRZSA-N 2 2 288.395 2.074 10 0 CEAELP CCc1[nH+]c2ccccc2n1CC[NH2+]CCC[NH+](C)C ZINC000062808241 522500257 /nfs/dbraw/zinc/50/02/57/522500257.db2.gz PXQAVUUDCUQELW-UHFFFAOYSA-N 3 2 274.412 2.140 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(OC)c1 ZINC000062803046 522646546 /nfs/dbraw/zinc/64/65/46/522646546.db2.gz RXNOQQZMERFXFO-CYBMUJFWSA-N 2 2 259.353 2.220 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757666 522648966 /nfs/dbraw/zinc/64/89/66/522648966.db2.gz PSNGPODLHDLNEG-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757666 522648975 /nfs/dbraw/zinc/64/89/75/522648975.db2.gz PSNGPODLHDLNEG-BZUAXINKSA-N 2 2 277.412 2.097 10 0 CEAELP CCc1nn(C)cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157499489 522694460 /nfs/dbraw/zinc/69/44/60/522694460.db2.gz NXVJYJAVYGSSFK-HOCLYGCPSA-N 2 2 270.380 2.217 10 0 CEAELP COc1cc(OC)c(C[NH2+][C@@H](C)CC[NH+](C)C)c(OC)c1 ZINC000049553806 522797185 /nfs/dbraw/zinc/79/71/85/522797185.db2.gz WDQSOXGNLBMKIG-LBPRGKRZSA-N 2 2 296.411 2.142 10 0 CEAELP C[N@H+](Cc1ccccc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589913 523349743 /nfs/dbraw/zinc/34/97/43/523349743.db2.gz NMXWCJJHNXGPQH-CQSZACIVSA-N 2 2 250.411 2.343 10 0 CEAELP C[N@@H+](Cc1ccccc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589913 523349753 /nfs/dbraw/zinc/34/97/53/523349753.db2.gz NMXWCJJHNXGPQH-CQSZACIVSA-N 2 2 250.411 2.343 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000050089114 524336188 /nfs/dbraw/zinc/33/61/88/524336188.db2.gz NZHMVJRFWKIHJZ-NVXWUHKLSA-N 2 2 295.471 2.228 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000050089114 524336199 /nfs/dbraw/zinc/33/61/99/524336199.db2.gz NZHMVJRFWKIHJZ-NVXWUHKLSA-N 2 2 295.471 2.228 10 0 CEAELP C[C@@H](C[NH2+]C1CCCCC1)N1CCn2cc[nH+]c2C1 ZINC000062326722 524736460 /nfs/dbraw/zinc/73/64/60/524736460.db2.gz FUHMHGLPNYEGOE-ZDUSSCGKSA-N 2 2 262.401 2.010 10 0 CEAELP C[C@@H](CNc1cc[nH+]c(C(N)=S)c1)[NH+]1CCCCC1 ZINC000061813216 524760027 /nfs/dbraw/zinc/76/00/27/524760027.db2.gz MFQKVYSOMSZVLT-NSHDSACASA-N 2 2 278.425 2.002 10 0 CEAELP C[C@@H]1C[NH+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@@H](C)O1 ZINC000052180772 524933696 /nfs/dbraw/zinc/93/36/96/524933696.db2.gz TVEGOGYPSOIJKC-HUUCEWRRSA-N 2 2 298.471 2.281 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Br)cc1F ZINC000052304197 527199354 /nfs/dbraw/zinc/19/93/54/527199354.db2.gz KEWNNBFRMCMODY-UHFFFAOYSA-N 2 2 298.159 2.334 10 0 CEAELP [NH3+]C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757556 527230256 /nfs/dbraw/zinc/23/02/56/527230256.db2.gz PVGYVGXZGSTLNG-HUUCEWRRSA-N 2 2 266.360 2.062 10 0 CEAELP [NH3+]C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757556 527230259 /nfs/dbraw/zinc/23/02/59/527230259.db2.gz PVGYVGXZGSTLNG-HUUCEWRRSA-N 2 2 266.360 2.062 10 0 CEAELP Cn1c[nH+]cc1-c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000096152676 625516846 /nfs/dbraw/zinc/51/68/46/625516846.db2.gz HEOQJAWPLLYXNB-UHFFFAOYSA-N 2 2 257.337 2.218 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccs1 ZINC000134132970 652778013 /nfs/dbraw/zinc/77/80/13/652778013.db2.gz DQMCXQPUTZIVAD-IJLUTSLNSA-N 2 2 254.399 2.166 10 0 CEAELP Oc1ccc(Cl)cc1/C=[NH+]/CC1CC[NH2+]CC1 ZINC000034436043 361790542 /nfs/dbraw/zinc/79/05/42/361790542.db2.gz HOZLRRKDEXGYNW-CXUHLZMHSA-N 2 2 252.745 2.464 10 0 CEAELP CC[NH+](CC)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036878871 361867749 /nfs/dbraw/zinc/86/77/49/361867749.db2.gz GKDQGDZETGIXGI-UHFFFAOYSA-N 2 2 299.459 2.317 10 0 CEAELP COc1ccc(Br)cc1-n1c[nH+]cc1CC[NH3+] ZINC000097023356 185154230 /nfs/dbraw/zinc/15/42/30/185154230.db2.gz ASNWGNUZNDBIDS-UHFFFAOYSA-N 2 2 296.168 2.145 10 0 CEAELP CC[N@@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000135815981 539290692 /nfs/dbraw/zinc/29/06/92/539290692.db2.gz QQSDKQJHBAKSIU-NSHDSACASA-N 2 2 289.301 2.233 10 0 CEAELP CC[N@H+]1CCO[C@@H](CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000135815981 539290693 /nfs/dbraw/zinc/29/06/93/539290693.db2.gz QQSDKQJHBAKSIU-NSHDSACASA-N 2 2 289.301 2.233 10 0 CEAELP C[NH2+]CC[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039043829 343435290 /nfs/dbraw/zinc/43/52/90/343435290.db2.gz BPITXGYDIPDCAP-XJKSGUPXSA-N 2 2 262.397 2.211 10 0 CEAELP C[NH2+]CC[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC000039043829 343435293 /nfs/dbraw/zinc/43/52/93/343435293.db2.gz BPITXGYDIPDCAP-XJKSGUPXSA-N 2 2 262.397 2.211 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2[nH+]1 ZINC000136168750 344384134 /nfs/dbraw/zinc/38/41/34/344384134.db2.gz WNXYEUOCUFTETR-HNNXBMFYSA-N 2 2 272.352 2.342 10 0 CEAELP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000225873846 344548025 /nfs/dbraw/zinc/54/80/25/344548025.db2.gz IZMCMZQESIQXER-HRCADAONSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[C@H]1CCCCO1 ZINC000225873846 344548027 /nfs/dbraw/zinc/54/80/27/344548027.db2.gz IZMCMZQESIQXER-HRCADAONSA-N 2 2 260.381 2.015 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)c(F)c1 ZINC000399228119 344857644 /nfs/dbraw/zinc/85/76/44/344857644.db2.gz FRCANAQYGINZSI-NSHDSACASA-N 2 2 284.350 2.072 10 0 CEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1ccc(Cl)s1 ZINC000085283936 179001495 /nfs/dbraw/zinc/00/14/95/179001495.db2.gz KVAACCIJPSSJJH-KKZNHRDASA-N 2 2 256.802 2.441 10 0 CEAELP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1ccc(Cl)s1 ZINC000085283936 179001498 /nfs/dbraw/zinc/00/14/98/179001498.db2.gz KVAACCIJPSSJJH-KKZNHRDASA-N 2 2 256.802 2.441 10 0 CEAELP CC(C)CO[C@H]1C[C@@H]([NH2+]CCc2[nH+]ccn2C)C1(C)C ZINC000085400991 179051593 /nfs/dbraw/zinc/05/15/93/179051593.db2.gz AVGYRCCJSOSLJI-KGLIPLIRSA-N 2 2 279.428 2.392 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@H](C(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085467890 179073206 /nfs/dbraw/zinc/07/32/06/179073206.db2.gz NHMPYYLJXSXNRW-ZNMIVQPWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@H](C(C)C)C[N@H+]1C[C@@H]1CCCO1 ZINC000085467890 179073207 /nfs/dbraw/zinc/07/32/07/179073207.db2.gz NHMPYYLJXSXNRW-ZNMIVQPWSA-N 2 2 254.418 2.264 10 0 CEAELP CC1(C)C[N@H+]([C@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471509 179076324 /nfs/dbraw/zinc/07/63/24/179076324.db2.gz IWKUFVBNVUJJBS-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CC1(C)C[N@@H+]([C@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471509 179076326 /nfs/dbraw/zinc/07/63/26/179076326.db2.gz IWKUFVBNVUJJBS-ZDUSSCGKSA-N 2 2 252.402 2.162 10 0 CEAELP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085509919 179085429 /nfs/dbraw/zinc/08/54/29/179085429.db2.gz KUMNONLTOBLILQ-HOTGVXAUSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CCCOC ZINC000085498916 179083401 /nfs/dbraw/zinc/08/34/01/179083401.db2.gz ZQJUYADBDOUSPX-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CCCOC ZINC000085498916 179083402 /nfs/dbraw/zinc/08/34/02/179083402.db2.gz ZQJUYADBDOUSPX-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085496744 179083616 /nfs/dbraw/zinc/08/36/16/179083616.db2.gz ZYSVGXFNMLLZMO-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@]1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(CC)C[NH2+]1 ZINC000085496744 179083618 /nfs/dbraw/zinc/08/36/18/179083618.db2.gz ZYSVGXFNMLLZMO-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@]1(C)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085497337 179083861 /nfs/dbraw/zinc/08/38/61/179083861.db2.gz WQDUVUNUJPOEGQ-ARFHVFGLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@]1(C)C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085497337 179083863 /nfs/dbraw/zinc/08/38/63/179083863.db2.gz WQDUVUNUJPOEGQ-ARFHVFGLSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1CCOC ZINC000085503748 179084517 /nfs/dbraw/zinc/08/45/17/179084517.db2.gz GHVWCCGOEMLIQX-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCCC2)C[N@H+]1CCOC ZINC000085503748 179084519 /nfs/dbraw/zinc/08/45/19/179084519.db2.gz GHVWCCGOEMLIQX-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085528846 179090194 /nfs/dbraw/zinc/09/01/94/179090194.db2.gz QPEFHLSQZMAKKA-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085528846 179090197 /nfs/dbraw/zinc/09/01/97/179090197.db2.gz QPEFHLSQZMAKKA-GJZGRUSLSA-N 2 2 266.429 2.408 10 0 CEAELP COc1cccc(C[N@@H+]2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618173 179103671 /nfs/dbraw/zinc/10/36/71/179103671.db2.gz HYVULMHURWZGMC-ZFWWWQNUSA-N 2 2 277.412 2.299 10 0 CEAELP COc1cccc(C[N@H+]2C[C@@H](C(C)C)[NH2+]CC[C@@H]2C)n1 ZINC000085618173 179103674 /nfs/dbraw/zinc/10/36/74/179103674.db2.gz HYVULMHURWZGMC-ZFWWWQNUSA-N 2 2 277.412 2.299 10 0 CEAELP CC[C@@]1(C)C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616830 179104402 /nfs/dbraw/zinc/10/44/02/179104402.db2.gz KURLSTJBGHMQCU-NSHDSACASA-N 2 2 268.323 2.029 10 0 CEAELP CC[C@@]1(C)C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085616830 179104404 /nfs/dbraw/zinc/10/44/04/179104404.db2.gz KURLSTJBGHMQCU-NSHDSACASA-N 2 2 268.323 2.029 10 0 CEAELP C[C@H]1CC[NH2+][C@H](c2ccccc2)C[N@@H+]1Cc1cnn(C)c1 ZINC000085621605 179105304 /nfs/dbraw/zinc/10/53/04/179105304.db2.gz VPAXWWWYBPROPD-YOEHRIQHSA-N 2 2 284.407 2.345 10 0 CEAELP C[C@H]1CC[NH2+][C@H](c2ccccc2)C[N@H+]1Cc1cnn(C)c1 ZINC000085621605 179105305 /nfs/dbraw/zinc/10/53/05/179105305.db2.gz VPAXWWWYBPROPD-YOEHRIQHSA-N 2 2 284.407 2.345 10 0 CEAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085634988 179109123 /nfs/dbraw/zinc/10/91/23/179109123.db2.gz XYPFJWAYTZCRGO-BARDWOONSA-N 2 2 266.429 2.264 10 0 CEAELP CCC[NH2+][C@@H](CCO)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000085923296 179201004 /nfs/dbraw/zinc/20/10/04/179201004.db2.gz WSTAXVQBICAIAB-AWEZNQCLSA-N 2 2 275.396 2.404 10 0 CEAELP CC[NH2+][C@H](CCO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000085922601 179201183 /nfs/dbraw/zinc/20/11/83/179201183.db2.gz UVFQNRRUPNOZBY-CQSZACIVSA-N 2 2 256.434 2.105 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922554 179201327 /nfs/dbraw/zinc/20/13/27/179201327.db2.gz ALUQCYSVORKYFQ-HZPDHXFCSA-N 2 2 268.445 2.392 10 0 CEAELP CCC[NH2+][C@H](CCO)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000085922554 179201329 /nfs/dbraw/zinc/20/13/29/179201329.db2.gz ALUQCYSVORKYFQ-HZPDHXFCSA-N 2 2 268.445 2.392 10 0 CEAELP COCc1nc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cs1 ZINC000608054820 347558013 /nfs/dbraw/zinc/55/80/13/347558013.db2.gz DRUVKBUFVYQGIT-GFCCVEGCSA-N 2 2 283.441 2.109 10 0 CEAELP COCc1nc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cs1 ZINC000608054820 347558017 /nfs/dbraw/zinc/55/80/17/347558017.db2.gz DRUVKBUFVYQGIT-GFCCVEGCSA-N 2 2 283.441 2.109 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CC3(CCCC3)[NH2+]C[C@H]2C)CC1 ZINC000086259176 179258685 /nfs/dbraw/zinc/25/86/85/179258685.db2.gz RSLCPQBEDIJJCL-OAHLLOKOSA-N 3 2 279.472 2.325 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CC3(CCCC3)[NH2+]C[C@H]2C)CC1 ZINC000086259176 179258687 /nfs/dbraw/zinc/25/86/87/179258687.db2.gz RSLCPQBEDIJJCL-OAHLLOKOSA-N 3 2 279.472 2.325 10 0 CEAELP CC[C@@H]1C[NH2+]C(CC)(CC)CN1Cc1[nH+]ccn1C ZINC000086264801 179261017 /nfs/dbraw/zinc/26/10/17/179261017.db2.gz KZBQCSJGEKKDBZ-CYBMUJFWSA-N 2 2 264.417 2.163 10 0 CEAELP Cn1cc[nH+]c1CN1CCC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086297329 179267868 /nfs/dbraw/zinc/26/78/68/179267868.db2.gz QJXVGSHDMXJSNN-QGZVFWFLSA-N 2 2 284.407 2.131 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+]C(C)(C)C2)c(OC)c1 ZINC000086297654 179267889 /nfs/dbraw/zinc/26/78/89/179267889.db2.gz MPUHIPJNTQCLSN-UHFFFAOYSA-N 2 2 278.396 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+]C(C)(C)C2)c(OC)c1 ZINC000086297654 179267891 /nfs/dbraw/zinc/26/78/91/179267891.db2.gz MPUHIPJNTQCLSN-UHFFFAOYSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835828 179349645 /nfs/dbraw/zinc/34/96/45/179349645.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835828 179349646 /nfs/dbraw/zinc/34/96/46/179349646.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835828 179349647 /nfs/dbraw/zinc/34/96/47/179349647.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH+]1CCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086835828 179349648 /nfs/dbraw/zinc/34/96/48/179349648.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 3 2 267.461 2.323 10 0 CEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCOCC1 ZINC000086873183 179364598 /nfs/dbraw/zinc/36/45/98/179364598.db2.gz GWKQMBSXNXORIN-KGLIPLIRSA-N 2 2 265.401 2.457 10 0 CEAELP C[N@H+](CC1CCCCC1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875271 179365549 /nfs/dbraw/zinc/36/55/49/179365549.db2.gz KMPQXMNKOLTJAS-HNNXBMFYSA-N 2 2 254.418 2.397 10 0 CEAELP C[N@@H+](CC1CCCCC1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086875271 179365551 /nfs/dbraw/zinc/36/55/51/179365551.db2.gz KMPQXMNKOLTJAS-HNNXBMFYSA-N 2 2 254.418 2.397 10 0 CEAELP CC(C)[C@H]1CCC[C@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952263 179368455 /nfs/dbraw/zinc/36/84/55/179368455.db2.gz HIEUQSXFQXBRCO-GJZGRUSLSA-N 2 2 256.434 2.105 10 0 CEAELP CC(C)[C@@H]1CCC[C@](CO)([NH2+]CC[NH+](C)C)CC1 ZINC000086952261 179368626 /nfs/dbraw/zinc/36/86/26/179368626.db2.gz HIEUQSXFQXBRCO-CABCVRRESA-N 2 2 256.434 2.105 10 0 CEAELP CC(C)[C@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947837 179369005 /nfs/dbraw/zinc/36/90/05/179369005.db2.gz TZKRDXJIHZFPJQ-LSDHHAIUSA-N 2 2 254.418 2.252 10 0 CEAELP C[NH2+][C@@H](Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CCCO1 ZINC000087802270 179488321 /nfs/dbraw/zinc/48/83/21/179488321.db2.gz ZTQQUQSWRWJLBZ-UONOGXRCSA-N 2 2 264.369 2.017 10 0 CEAELP CC(C)[C@H](C[NH3+])C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000087535453 179442767 /nfs/dbraw/zinc/44/27/67/179442767.db2.gz AVPGNCHOGNPIOI-OAHLLOKOSA-N 3 2 267.461 2.168 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cccc3ccncc32)CC1 ZINC000616609536 348533523 /nfs/dbraw/zinc/53/35/23/348533523.db2.gz ZGTMXFNDRKSRIP-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1F ZINC000090566296 180005449 /nfs/dbraw/zinc/00/54/49/180005449.db2.gz BJSGUERSZVPIPD-GOEBONIOSA-N 2 2 280.387 2.272 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+](C)Cc1ccccc1F ZINC000090566296 180005452 /nfs/dbraw/zinc/00/54/52/180005452.db2.gz BJSGUERSZVPIPD-GOEBONIOSA-N 2 2 280.387 2.272 10 0 CEAELP CCCCCNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693427 180025583 /nfs/dbraw/zinc/02/55/83/180025583.db2.gz ONFHORWPEXQFCB-CABCVRRESA-N 2 2 283.460 2.145 10 0 CEAELP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693427 180025584 /nfs/dbraw/zinc/02/55/84/180025584.db2.gz ONFHORWPEXQFCB-CABCVRRESA-N 2 2 283.460 2.145 10 0 CEAELP O=C(C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693967 180026177 /nfs/dbraw/zinc/02/61/77/180026177.db2.gz YLFUQHISAIMBTL-ZBFHGGJFSA-N 2 2 287.407 2.089 10 0 CEAELP O=C(C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1)Nc1ccccc1 ZINC000090693967 180026179 /nfs/dbraw/zinc/02/61/79/180026179.db2.gz YLFUQHISAIMBTL-ZBFHGGJFSA-N 2 2 287.407 2.089 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874225 180050223 /nfs/dbraw/zinc/05/02/23/180050223.db2.gz LNKKTJFCHHSCHR-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874225 180050224 /nfs/dbraw/zinc/05/02/24/180050224.db2.gz LNKKTJFCHHSCHR-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP [NH3+]CC1([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCCCC1 ZINC000090905704 180059871 /nfs/dbraw/zinc/05/98/71/180059871.db2.gz DIMADCQZBCLDRD-OKILXGFUSA-N 2 2 252.402 2.291 10 0 CEAELP CC[NH2+]C[C@@](C)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907499 180062409 /nfs/dbraw/zinc/06/24/09/180062409.db2.gz KHJVKBXZFSPENQ-KSZLIROESA-N 2 2 288.435 2.417 10 0 CEAELP CC[NH2+]C[C@@](C)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907499 180062411 /nfs/dbraw/zinc/06/24/11/180062411.db2.gz KHJVKBXZFSPENQ-KSZLIROESA-N 2 2 288.435 2.417 10 0 CEAELP CC[N@H+](Cc1csc([C@@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958357 180074641 /nfs/dbraw/zinc/07/46/41/180074641.db2.gz OZILYAALCVXTTM-VHSXEESVSA-N 2 2 257.403 2.020 10 0 CEAELP CC[N@@H+](Cc1csc([C@@H](C)[NH3+])n1)[C@@H](C)COC ZINC000090958357 180074644 /nfs/dbraw/zinc/07/46/44/180074644.db2.gz OZILYAALCVXTTM-VHSXEESVSA-N 2 2 257.403 2.020 10 0 CEAELP c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984722 180080289 /nfs/dbraw/zinc/08/02/89/180080289.db2.gz NIAZSDOVHRXLNL-QZTJIDSGSA-N 2 2 286.419 2.128 10 0 CEAELP c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc2c1CCC2 ZINC000090984722 180080291 /nfs/dbraw/zinc/08/02/91/180080291.db2.gz NIAZSDOVHRXLNL-QZTJIDSGSA-N 2 2 286.419 2.128 10 0 CEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091321036 180133377 /nfs/dbraw/zinc/13/33/77/180133377.db2.gz UACXHHFVAHJGEV-RRFJBIMHSA-N 2 2 295.471 2.131 10 0 CEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091321036 180133379 /nfs/dbraw/zinc/13/33/79/180133379.db2.gz UACXHHFVAHJGEV-RRFJBIMHSA-N 2 2 295.471 2.131 10 0 CEAELP Cc1ccc(C[N@@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320804 180133420 /nfs/dbraw/zinc/13/34/20/180133420.db2.gz WCVJYPPLJPKQBR-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1ccc(C[N@H+](C)[C@H](C[NH3+])CC(=O)NC(C)(C)C)cc1 ZINC000091320804 180133423 /nfs/dbraw/zinc/13/34/23/180133423.db2.gz WCVJYPPLJPKQBR-HNNXBMFYSA-N 2 2 291.439 2.059 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](CC)Cc1ccccc1 ZINC000091322618 180134604 /nfs/dbraw/zinc/13/46/04/180134604.db2.gz QZQHZOVADYZYAT-INIZCTEOSA-N 2 2 291.439 2.094 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](CC)Cc1ccccc1 ZINC000091322618 180134605 /nfs/dbraw/zinc/13/46/05/180134605.db2.gz QZQHZOVADYZYAT-INIZCTEOSA-N 2 2 291.439 2.094 10 0 CEAELP CC(C)n1c[nH+]cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091272949 180118197 /nfs/dbraw/zinc/11/81/97/180118197.db2.gz XNROOVUIJLHGCD-PBWFPOADSA-N 2 2 262.401 2.179 10 0 CEAELP CC(C)n1cncc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091272949 180118198 /nfs/dbraw/zinc/11/81/98/180118198.db2.gz XNROOVUIJLHGCD-PBWFPOADSA-N 2 2 262.401 2.179 10 0 CEAELP CC(C)n1cncc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091272949 180118199 /nfs/dbraw/zinc/11/81/99/180118199.db2.gz XNROOVUIJLHGCD-PBWFPOADSA-N 2 2 262.401 2.179 10 0 CEAELP C[NH2+]Cc1ccc(OCc2c[nH+]cn2C)c(Cl)c1 ZINC000091278388 180120851 /nfs/dbraw/zinc/12/08/51/180120851.db2.gz KKEAJWNICIEHAQ-UHFFFAOYSA-N 2 2 265.744 2.372 10 0 CEAELP Cc1occc1C[N@H+](C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292083 180123496 /nfs/dbraw/zinc/12/34/96/180123496.db2.gz HCSGFMCOTOKZJI-CYBMUJFWSA-N 2 2 254.399 2.115 10 0 CEAELP Cc1occc1C[N@@H+](C)CC[C@@H]1CSCC[NH2+]1 ZINC000091292083 180123498 /nfs/dbraw/zinc/12/34/98/180123498.db2.gz HCSGFMCOTOKZJI-CYBMUJFWSA-N 2 2 254.399 2.115 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)s1 ZINC000091464606 180162840 /nfs/dbraw/zinc/16/28/40/180162840.db2.gz MHFSOJSAKGVLHN-DLOFLVKXSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)s1 ZINC000091464606 180162842 /nfs/dbraw/zinc/16/28/42/180162842.db2.gz MHFSOJSAKGVLHN-DLOFLVKXSA-N 2 2 268.426 2.148 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](Cc1cc(C)nn1C)[NH2+]C ZINC000091599670 180202203 /nfs/dbraw/zinc/20/22/03/180202203.db2.gz PIXHWFDFNFZTBS-CVEARBPZSA-N 2 2 280.460 2.370 10 0 CEAELP CC[C@](C)([C@H]([NH3+])CCC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000091612122 180207261 /nfs/dbraw/zinc/20/72/61/180207261.db2.gz KTIQCSNIRRBWSN-BZUAXINKSA-N 2 2 284.444 2.164 10 0 CEAELP CCC(CC)n1ccc(C[C@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528387 180180075 /nfs/dbraw/zinc/18/00/75/180180075.db2.gz LFFOSRVONHTMIE-AWEZNQCLSA-N 2 2 266.433 2.454 10 0 CEAELP C[NH2+][C@H](Cc1c(Cl)c(C)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091534403 180181170 /nfs/dbraw/zinc/18/11/70/180181170.db2.gz PGGQUWATZQFINS-CYBMUJFWSA-N 2 2 298.862 2.387 10 0 CEAELP CC[NH+](CC)C1([C@H]([NH2+]C)[C@@H]2CCOC2)CCCC1 ZINC000091639430 180212513 /nfs/dbraw/zinc/21/25/13/180212513.db2.gz UCDKNTKMDDRVSV-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CCN(CC)C1([C@@H](Cc2cc[nH+]c(N)c2)[NH2+]C)CCCC1 ZINC000091639436 180212686 /nfs/dbraw/zinc/21/26/86/180212686.db2.gz XFQSZAJKHMDYTR-OAHLLOKOSA-N 2 2 290.455 2.449 10 0 CEAELP CCC[NH2+][C@H](CC[NH+](CC)CC)c1nccn1C ZINC000091716827 180232317 /nfs/dbraw/zinc/23/23/17/180232317.db2.gz MTCKQYCHWAEPBC-CYBMUJFWSA-N 2 2 252.406 2.193 10 0 CEAELP C[NH2+][C@@H](Cc1cc(Cl)ccc1OC)C[NH+](C)C ZINC000091719632 180234420 /nfs/dbraw/zinc/23/44/20/180234420.db2.gz RWLAHLDIFRLLNX-LBPRGKRZSA-N 2 2 256.777 2.041 10 0 CEAELP C[NH2+][C@H](c1ccccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720892 180236833 /nfs/dbraw/zinc/23/68/33/180236833.db2.gz BUCPLVINVWZYBL-FVQBIDKESA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1ccccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720892 180236834 /nfs/dbraw/zinc/23/68/34/180236834.db2.gz BUCPLVINVWZYBL-FVQBIDKESA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721323 180237623 /nfs/dbraw/zinc/23/76/23/180237623.db2.gz AIRXRNNGUODDBF-DAXOMENPSA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1cc(C)ccc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721323 180237625 /nfs/dbraw/zinc/23/76/25/180237625.db2.gz AIRXRNNGUODDBF-DAXOMENPSA-N 2 2 278.371 2.258 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000091780227 180252381 /nfs/dbraw/zinc/25/23/81/180252381.db2.gz GRULNNODAMQKIF-LLVKDONJSA-N 2 2 280.368 2.153 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000091780227 180252384 /nfs/dbraw/zinc/25/23/84/180252384.db2.gz GRULNNODAMQKIF-LLVKDONJSA-N 2 2 280.368 2.153 10 0 CEAELP CCC[NH2+][C@H](c1ccco1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722199 180239891 /nfs/dbraw/zinc/23/98/91/180239891.db2.gz SPQRLIKXOZTZTL-BPLDGKMQSA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+][C@H](c1ccco1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722199 180239893 /nfs/dbraw/zinc/23/98/93/180239893.db2.gz SPQRLIKXOZTZTL-BPLDGKMQSA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+]C[C@@H](C)Cc1c(C)nc(C[NH+](C)C)nc1C ZINC000091723811 180241995 /nfs/dbraw/zinc/24/19/95/180241995.db2.gz PXNOQDXVPZPVPJ-LBPRGKRZSA-N 2 2 278.444 2.333 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc21 ZINC000091926473 180287564 /nfs/dbraw/zinc/28/75/64/180287564.db2.gz SQMGMLUIAQPDFD-IAGOWNOFSA-N 2 2 285.391 2.340 10 0 CEAELP CC[N@@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092052757 180312817 /nfs/dbraw/zinc/31/28/17/180312817.db2.gz VVLXSJFNOAFDQU-KRWDZBQOSA-N 2 2 289.423 2.419 10 0 CEAELP CC[N@H+]1CCO[C@@H](CNc2ccc([NH+]3CCCC3)cc2)C1 ZINC000092052757 180312818 /nfs/dbraw/zinc/31/28/18/180312818.db2.gz VVLXSJFNOAFDQU-KRWDZBQOSA-N 2 2 289.423 2.419 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C1CC1 ZINC000092087576 180321150 /nfs/dbraw/zinc/32/11/50/180321150.db2.gz SJRKBYCJCGWZLG-JKIFEVAISA-N 2 2 296.455 2.428 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+]1C[C@H](C)[C@H](C)C1)[NH2+]C1CC1 ZINC000092087576 180321152 /nfs/dbraw/zinc/32/11/52/180321152.db2.gz SJRKBYCJCGWZLG-JKIFEVAISA-N 2 2 296.455 2.428 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935690 186093700 /nfs/dbraw/zinc/09/37/00/186093700.db2.gz UEXGUOHLXBGBJL-AWEZNQCLSA-N 2 2 278.396 2.148 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]CCOc1ccc(OC)cc1 ZINC000105935690 186093701 /nfs/dbraw/zinc/09/37/01/186093701.db2.gz UEXGUOHLXBGBJL-AWEZNQCLSA-N 2 2 278.396 2.148 10 0 CEAELP CCCNc1cccc(CN2CC[NH+](CC)CC2)[nH+]1 ZINC000092367920 180370117 /nfs/dbraw/zinc/37/01/17/180370117.db2.gz VUHKCSVMEJYYAA-UHFFFAOYSA-N 2 2 262.401 2.041 10 0 CEAELP CCOC(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897833 186085363 /nfs/dbraw/zinc/08/53/63/186085363.db2.gz VEOOILWFKDAMCY-CQSZACIVSA-N 2 2 293.411 2.426 10 0 CEAELP CCOC(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897833 186085364 /nfs/dbraw/zinc/08/53/64/186085364.db2.gz VEOOILWFKDAMCY-CQSZACIVSA-N 2 2 293.411 2.426 10 0 CEAELP Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431274 180384270 /nfs/dbraw/zinc/38/42/70/180384270.db2.gz WKRQADONBMQVJY-JKSUJKDBSA-N 2 2 259.397 2.497 10 0 CEAELP Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000092431274 180384271 /nfs/dbraw/zinc/38/42/71/180384271.db2.gz WKRQADONBMQVJY-JKSUJKDBSA-N 2 2 259.397 2.497 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](CCCOC)CCOC)c1 ZINC000092418614 180381341 /nfs/dbraw/zinc/38/13/41/180381341.db2.gz GUWPZCGZMDKUSB-UHFFFAOYSA-N 2 2 295.427 2.388 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](CCCOC)CCOC)c1 ZINC000092418614 180381342 /nfs/dbraw/zinc/38/13/42/180381342.db2.gz GUWPZCGZMDKUSB-UHFFFAOYSA-N 2 2 295.427 2.388 10 0 CEAELP CC[N@H+](CCOC)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384713 180374178 /nfs/dbraw/zinc/37/41/78/180374178.db2.gz KLIKHYZVEWEMGW-KRWDZBQOSA-N 2 2 292.423 2.154 10 0 CEAELP CC[N@@H+](CCOC)[C@]1(C[NH3+])CCCc2ccc(OC)cc21 ZINC000092384713 180374179 /nfs/dbraw/zinc/37/41/79/180374179.db2.gz KLIKHYZVEWEMGW-KRWDZBQOSA-N 2 2 292.423 2.154 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)cc1OC ZINC000109555169 186262989 /nfs/dbraw/zinc/26/29/89/186262989.db2.gz GNIDUPQPDUSHCM-GOOCMWNKSA-N 2 2 290.407 2.419 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)cc1OC ZINC000109555169 186262991 /nfs/dbraw/zinc/26/29/91/186262991.db2.gz GNIDUPQPDUSHCM-GOOCMWNKSA-N 2 2 290.407 2.419 10 0 CEAELP Cc1cc(C[N@H+](C)CCC[NH+](C)C)oc1C[NH2+]C(C)C ZINC000111150064 186360387 /nfs/dbraw/zinc/36/03/87/186360387.db2.gz QGTMUUYGACYVQI-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)oc1C[NH2+]C(C)C ZINC000111150064 186360388 /nfs/dbraw/zinc/36/03/88/186360388.db2.gz QGTMUUYGACYVQI-UHFFFAOYSA-N 3 2 281.444 2.470 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CC1CCOCC1 ZINC000111155606 186361649 /nfs/dbraw/zinc/36/16/49/186361649.db2.gz HTLHBYRVYIKJEP-ZBFHGGJFSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CC1CCOCC1 ZINC000111155606 186361650 /nfs/dbraw/zinc/36/16/50/186361650.db2.gz HTLHBYRVYIKJEP-ZBFHGGJFSA-N 2 2 277.412 2.218 10 0 CEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157630 186362331 /nfs/dbraw/zinc/36/23/31/186362331.db2.gz COQMCGRJGMAFIR-ILXRZTDVSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157630 186362332 /nfs/dbraw/zinc/36/23/32/186362332.db2.gz COQMCGRJGMAFIR-ILXRZTDVSA-N 2 2 254.418 2.252 10 0 CEAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157791 186362429 /nfs/dbraw/zinc/36/24/29/186362429.db2.gz JPVGUVPVIVLIMT-GOEBONIOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157791 186362431 /nfs/dbraw/zinc/36/24/31/186362431.db2.gz JPVGUVPVIVLIMT-GOEBONIOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117833 186355209 /nfs/dbraw/zinc/35/52/09/186355209.db2.gz CTXFNGDINDBFHT-KRWDZBQOSA-N 2 2 294.439 2.314 10 0 CEAELP CCOCC[N@@H+](CC)[C@](C)(C[NH3+])Cc1ccccc1OC ZINC000111117833 186355210 /nfs/dbraw/zinc/35/52/10/186355210.db2.gz CTXFNGDINDBFHT-KRWDZBQOSA-N 2 2 294.439 2.314 10 0 CEAELP CCOCC[N@H+](CC)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119097 186355644 /nfs/dbraw/zinc/35/56/44/186355644.db2.gz ZXPNHQZLCRRDRO-AWEZNQCLSA-N 2 2 296.411 2.062 10 0 CEAELP CCOCC[N@@H+](CC)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000111119097 186355647 /nfs/dbraw/zinc/35/56/47/186355647.db2.gz ZXPNHQZLCRRDRO-AWEZNQCLSA-N 2 2 296.411 2.062 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111147991 186359067 /nfs/dbraw/zinc/35/90/67/186359067.db2.gz OKTJMRASZABNCO-LSDHHAIUSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111147991 186359068 /nfs/dbraw/zinc/35/90/68/186359068.db2.gz OKTJMRASZABNCO-LSDHHAIUSA-N 3 2 255.450 2.038 10 0 CEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154144 186359885 /nfs/dbraw/zinc/35/98/85/186359885.db2.gz HHXNWKHVQQCBIA-DOMZBBRYSA-N 2 2 266.360 2.184 10 0 CEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154144 186359887 /nfs/dbraw/zinc/35/98/87/186359887.db2.gz HHXNWKHVQQCBIA-DOMZBBRYSA-N 2 2 266.360 2.184 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154174 186360094 /nfs/dbraw/zinc/36/00/94/186360094.db2.gz BWFAMOVHZPDHSH-DZKIICNBSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154174 186360096 /nfs/dbraw/zinc/36/00/96/186360096.db2.gz BWFAMOVHZPDHSH-DZKIICNBSA-N 2 2 277.412 2.218 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)C[C@@H]2CCCOC2)[nH+]1 ZINC000111153696 186360139 /nfs/dbraw/zinc/36/01/39/186360139.db2.gz FKNBCKNBPTZQEI-ZDUSSCGKSA-N 2 2 263.385 2.020 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@H+](C)CC1CCOCC1 ZINC000111175614 186365161 /nfs/dbraw/zinc/36/51/61/186365161.db2.gz ITUXHXZZTOGIMT-OAHLLOKOSA-N 2 2 254.418 2.121 10 0 CEAELP CC(C)[C@@H](C[NH2+]C1CC1)[N@@H+](C)CC1CCOCC1 ZINC000111175614 186365163 /nfs/dbraw/zinc/36/51/63/186365163.db2.gz ITUXHXZZTOGIMT-OAHLLOKOSA-N 2 2 254.418 2.121 10 0 CEAELP C[NH+](C)C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000111317915 186396191 /nfs/dbraw/zinc/39/61/91/186396191.db2.gz BDGLWCMWTQOALV-GDBMZVCRSA-N 2 2 262.397 2.306 10 0 CEAELP CC(C)C[NH2+]C[C@@]1(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCOC1 ZINC000111323819 186396856 /nfs/dbraw/zinc/39/68/56/186396856.db2.gz OSWOBOOGRZOTLM-IXDOHACOSA-N 2 2 298.471 2.138 10 0 CEAELP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCOC1 ZINC000111323819 186396858 /nfs/dbraw/zinc/39/68/58/186396858.db2.gz OSWOBOOGRZOTLM-IXDOHACOSA-N 2 2 298.471 2.138 10 0 CEAELP CCCc1cc(N2CCC([NH3+])CC2)nc(-c2ccncc2)[nH+]1 ZINC000070451843 363083738 /nfs/dbraw/zinc/08/37/38/363083738.db2.gz RPVGEHJEOHNVSC-UHFFFAOYSA-N 2 2 297.406 2.419 10 0 CEAELP Cc1[nH+]c(-c2ccc(F)cc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000070455949 363085282 /nfs/dbraw/zinc/08/52/82/363085282.db2.gz NPWYHUXTLULRPY-AWEZNQCLSA-N 2 2 286.354 2.437 10 0 CEAELP CCC([NH3+])(CC)C[NH+]1CCN(c2ccccc2)CC1 ZINC000094245892 535182252 /nfs/dbraw/zinc/18/22/52/535182252.db2.gz ATCTWAJNPDJWCB-UHFFFAOYSA-N 2 2 261.413 2.326 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccnc1Cl ZINC000151277648 366636048 /nfs/dbraw/zinc/63/60/48/366636048.db2.gz BWCJZAWATYGCLA-QWHCGFSZSA-N 2 2 297.830 2.232 10 0 CEAELP Cc1cccc2c(NCC[NH+]3CCOCC3)cc[nH+]c12 ZINC000301683883 201136471 /nfs/dbraw/zinc/13/64/71/201136471.db2.gz SZDPZBSQWLKZAR-UHFFFAOYSA-N 2 2 271.364 2.287 10 0 CEAELP CCn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000092812503 364110237 /nfs/dbraw/zinc/11/02/37/364110237.db2.gz CJFGJRMOLFOAEO-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000092812503 364110244 /nfs/dbraw/zinc/11/02/44/364110244.db2.gz CJFGJRMOLFOAEO-AWEZNQCLSA-N 2 2 285.395 2.232 10 0 CEAELP C[NH2+]CCCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000237210553 370701612 /nfs/dbraw/zinc/70/16/12/370701612.db2.gz WCLMTKQGYGBHQQ-CYBMUJFWSA-N 2 2 286.379 2.049 10 0 CEAELP Cc1cccn2c(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)c[nH+]c12 ZINC000245713009 370862496 /nfs/dbraw/zinc/86/24/96/370862496.db2.gz GHXNWMDFEFMSMH-CABCVRRESA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cccn2c(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c[nH+]c12 ZINC000245713009 370862498 /nfs/dbraw/zinc/86/24/98/370862498.db2.gz GHXNWMDFEFMSMH-CABCVRRESA-N 2 2 284.407 2.311 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000631839346 367581733 /nfs/dbraw/zinc/58/17/33/367581733.db2.gz DYTIQBWAVHEQAK-RYUDHWBXSA-N 2 2 288.420 2.232 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000631839346 367581738 /nfs/dbraw/zinc/58/17/38/367581738.db2.gz DYTIQBWAVHEQAK-RYUDHWBXSA-N 2 2 288.420 2.232 10 0 CEAELP CCC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000245764833 370871498 /nfs/dbraw/zinc/87/14/98/370871498.db2.gz JECRMHBTFHISPL-ZNMIVQPWSA-N 2 2 292.427 2.023 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669412 370485018 /nfs/dbraw/zinc/48/50/18/370485018.db2.gz DZBQBELOQIYUCN-MRXNPFEDSA-N 2 2 297.487 2.201 10 0 CEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669412 370485022 /nfs/dbraw/zinc/48/50/22/370485022.db2.gz DZBQBELOQIYUCN-MRXNPFEDSA-N 2 2 297.487 2.201 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231668366 370485365 /nfs/dbraw/zinc/48/53/65/370485365.db2.gz MRUQZJDVXLJGEC-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231668366 370485372 /nfs/dbraw/zinc/48/53/72/370485372.db2.gz MRUQZJDVXLJGEC-HNNXBMFYSA-N 2 2 289.423 2.316 10 0 CEAELP C[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235367526 370563213 /nfs/dbraw/zinc/56/32/13/370563213.db2.gz JKLFJAAFXZZPAZ-MFKMUULPSA-N 2 2 299.212 2.107 10 0 CEAELP C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235367526 370563217 /nfs/dbraw/zinc/56/32/17/370563217.db2.gz JKLFJAAFXZZPAZ-MFKMUULPSA-N 2 2 299.212 2.107 10 0 CEAELP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000249022871 371283708 /nfs/dbraw/zinc/28/37/08/371283708.db2.gz QZXJZCGLVOPUDN-DLBZAZTESA-N 2 2 294.414 2.366 10 0 CEAELP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000249022871 371283710 /nfs/dbraw/zinc/28/37/10/371283710.db2.gz QZXJZCGLVOPUDN-DLBZAZTESA-N 2 2 294.414 2.366 10 0 CEAELP CC(C)(C)[C@@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)CC1 ZINC000261559083 371645384 /nfs/dbraw/zinc/64/53/84/371645384.db2.gz LQMZDVQAPUGORZ-LLVKDONJSA-N 2 2 266.389 2.177 10 0 CEAELP CC(C)(C)[C@@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)CC1 ZINC000261559083 371645396 /nfs/dbraw/zinc/64/53/96/371645396.db2.gz LQMZDVQAPUGORZ-LLVKDONJSA-N 2 2 266.389 2.177 10 0 CEAELP CC(C)(C)[C@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)CC1 ZINC000261559084 371647994 /nfs/dbraw/zinc/64/79/94/371647994.db2.gz LQMZDVQAPUGORZ-NSHDSACASA-N 2 2 266.389 2.177 10 0 CEAELP CC(C)(C)[C@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)CC1 ZINC000261559084 371647999 /nfs/dbraw/zinc/64/79/99/371647999.db2.gz LQMZDVQAPUGORZ-NSHDSACASA-N 2 2 266.389 2.177 10 0 CEAELP COc1ccc2oc(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2c1 ZINC000262071188 371817433 /nfs/dbraw/zinc/81/74/33/371817433.db2.gz SAXXBOKSVFQXRO-YGRLFVJLSA-N 2 2 260.337 2.220 10 0 CEAELP COc1ccc2oc(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)cc2c1 ZINC000262071188 371817442 /nfs/dbraw/zinc/81/74/42/371817442.db2.gz SAXXBOKSVFQXRO-YGRLFVJLSA-N 2 2 260.337 2.220 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C12CCC2 ZINC000389550346 375305449 /nfs/dbraw/zinc/30/54/49/375305449.db2.gz OIYBTXOOEFZQKU-HZSPNIEDSA-N 2 2 252.402 2.018 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C12CCC2 ZINC000389550346 375305457 /nfs/dbraw/zinc/30/54/57/375305457.db2.gz OIYBTXOOEFZQKU-HZSPNIEDSA-N 2 2 252.402 2.018 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3c2OCO3)c[nH+]1 ZINC000188414976 542322407 /nfs/dbraw/zinc/32/24/07/542322407.db2.gz DMWXHUZQYNFQRX-CQSZACIVSA-N 2 2 285.347 2.276 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cccc3c2OCO3)c[nH+]1 ZINC000188414976 542322410 /nfs/dbraw/zinc/32/24/10/542322410.db2.gz DMWXHUZQYNFQRX-CQSZACIVSA-N 2 2 285.347 2.276 10 0 CEAELP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[NH+](C)C ZINC000093461904 184677753 /nfs/dbraw/zinc/67/77/53/184677753.db2.gz RLGMOWAARKHZJI-KGLIPLIRSA-N 2 2 299.459 2.316 10 0 CEAELP [NH3+]C1(CC(=O)Nc2cccc(Cn3cc[nH+]c3)c2)CCC1 ZINC000094293675 184777194 /nfs/dbraw/zinc/77/71/94/184777194.db2.gz RQVTUBPUVYFXKE-UHFFFAOYSA-N 2 2 284.363 2.141 10 0 CEAELP CC(C)[NH2+]C[C@@H](C)[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068425 135078801 /nfs/dbraw/zinc/07/88/01/135078801.db2.gz ZFXIXSUCXDFNII-CVEARBPZSA-N 2 2 290.455 2.226 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@H]12 ZINC000261548589 394602106 /nfs/dbraw/zinc/60/21/06/394602106.db2.gz JSBHULNAQQSQFR-TVYUQYBPSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Br)cn3)C[C@H]12 ZINC000261548589 394602113 /nfs/dbraw/zinc/60/21/13/394602113.db2.gz JSBHULNAQQSQFR-TVYUQYBPSA-N 2 2 296.212 2.013 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729114 394917644 /nfs/dbraw/zinc/91/76/44/394917644.db2.gz XJBKCBLNYMDIMY-UONOGXRCSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729114 394917649 /nfs/dbraw/zinc/91/76/49/394917649.db2.gz XJBKCBLNYMDIMY-UONOGXRCSA-N 2 2 297.443 2.070 10 0 CEAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000163005675 395079103 /nfs/dbraw/zinc/07/91/03/395079103.db2.gz XFYJVWMKBOFGFQ-AWEZNQCLSA-N 2 2 290.455 2.386 10 0 CEAELP CC(C)c1[nH+]c2c(n1C)CCN(CC[C@@H]1CCC[N@H+]1C)C2 ZINC000163005675 395079104 /nfs/dbraw/zinc/07/91/04/395079104.db2.gz XFYJVWMKBOFGFQ-AWEZNQCLSA-N 2 2 290.455 2.386 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223146793 153314825 /nfs/dbraw/zinc/31/48/25/153314825.db2.gz VYPXURNRGMILLR-RRFJBIMHSA-N 2 2 255.450 2.035 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223146793 153314828 /nfs/dbraw/zinc/31/48/28/153314828.db2.gz VYPXURNRGMILLR-RRFJBIMHSA-N 2 2 255.450 2.035 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226463 171091215 /nfs/dbraw/zinc/09/12/15/171091215.db2.gz GAPVKNHVFMGMDX-AWEZNQCLSA-N 2 2 266.385 2.291 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226463 171091216 /nfs/dbraw/zinc/09/12/16/171091216.db2.gz GAPVKNHVFMGMDX-AWEZNQCLSA-N 2 2 266.385 2.291 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CC2)c(OC)c1 ZINC000020226494 171092258 /nfs/dbraw/zinc/09/22/58/171092258.db2.gz BONIMEAXPLCTQV-CQSZACIVSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c(OC)c1 ZINC000020226494 171092261 /nfs/dbraw/zinc/09/22/61/171092261.db2.gz BONIMEAXPLCTQV-CQSZACIVSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH+]2CCCC2)cc1OC(F)F ZINC000022173042 171368566 /nfs/dbraw/zinc/36/85/66/171368566.db2.gz SLHISBQKWOODTN-NSHDSACASA-N 2 2 286.322 2.392 10 0 CEAELP [NH3+]C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCCC1 ZINC000022218877 171376623 /nfs/dbraw/zinc/37/66/23/171376623.db2.gz LUCLYKZLDNVJPJ-GFCCVEGCSA-N 2 2 256.296 2.384 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000037220635 173039634 /nfs/dbraw/zinc/03/96/34/173039634.db2.gz QQVKUJVNISWCRB-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000037220629 173039793 /nfs/dbraw/zinc/03/97/93/173039793.db2.gz RHIYSZDHEPSQCQ-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP Cc1csc2nc(C)c(C[NH2+]C3CC[NH+](C)CC3)n12 ZINC000037256053 173066955 /nfs/dbraw/zinc/06/69/55/173066955.db2.gz RRODSVAXIIRYBD-UHFFFAOYSA-N 2 2 278.425 2.196 10 0 CEAELP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)OC(C)(C)C ZINC000037394132 173174499 /nfs/dbraw/zinc/17/44/99/173174499.db2.gz KSWBZNVFWZSQJY-ZDUSSCGKSA-N 2 2 272.433 2.428 10 0 CEAELP C[C@H](Cc1cccs1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000037413578 173190132 /nfs/dbraw/zinc/19/01/32/173190132.db2.gz OAGFITLLABWBJI-RISCZKNCSA-N 2 2 250.411 2.363 10 0 CEAELP COc1cccc(C2CC([NH2+]C[C@@H](C)[NH+](C)C)C2)c1 ZINC000038087778 174100926 /nfs/dbraw/zinc/10/09/26/174100926.db2.gz OGFITHHIJZMEBY-LRVUVFPRSA-N 2 2 262.397 2.481 10 0 CEAELP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038090930 174104529 /nfs/dbraw/zinc/10/45/29/174104529.db2.gz IHJASVSATQNRAZ-NEPJUHHUSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1csc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000038090930 174104530 /nfs/dbraw/zinc/10/45/30/174104530.db2.gz IHJASVSATQNRAZ-NEPJUHHUSA-N 2 2 253.415 2.271 10 0 CEAELP COc1cc([C@H](C)[NH2+]CCc2[nH+]ccn2C)ccc1O ZINC000040638780 174362958 /nfs/dbraw/zinc/36/29/58/174362958.db2.gz MLXHQPCYUFBNMR-NSHDSACASA-N 2 2 275.352 2.028 10 0 CEAELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)OCO2 ZINC000040638728 174363342 /nfs/dbraw/zinc/36/33/42/174363342.db2.gz KPFXRWQHJJAXLD-NSHDSACASA-N 2 2 273.336 2.042 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000312536913 414865422 /nfs/dbraw/zinc/86/54/22/414865422.db2.gz QIFXZDSCZZNSCA-LRDDRELGSA-N 2 2 270.380 2.139 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](CCCO)C(C)C ZINC000043336114 175012193 /nfs/dbraw/zinc/01/21/93/175012193.db2.gz RTISPVHELKDXFI-TZMCWYRMSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCCO)C(C)C ZINC000043336114 175012194 /nfs/dbraw/zinc/01/21/94/175012194.db2.gz RTISPVHELKDXFI-TZMCWYRMSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043338900 175013205 /nfs/dbraw/zinc/01/32/05/175013205.db2.gz ANYDRRHYQMWZAO-FMKPAKJESA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CCO ZINC000043338900 175013206 /nfs/dbraw/zinc/01/32/06/175013206.db2.gz ANYDRRHYQMWZAO-FMKPAKJESA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348320 175018786 /nfs/dbraw/zinc/01/87/86/175018786.db2.gz RAZDGZOPJPFQHL-IRXDYDNUSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348320 175018788 /nfs/dbraw/zinc/01/87/88/175018788.db2.gz RAZDGZOPJPFQHL-IRXDYDNUSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043353070 175020087 /nfs/dbraw/zinc/02/00/87/175020087.db2.gz OPGVBXBOUOTWIU-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043353070 175020088 /nfs/dbraw/zinc/02/00/88/175020088.db2.gz OPGVBXBOUOTWIU-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354614 175022300 /nfs/dbraw/zinc/02/23/00/175022300.db2.gz JKNUKXUQSPEBJU-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354614 175022302 /nfs/dbraw/zinc/02/23/02/175022302.db2.gz JKNUKXUQSPEBJU-CZUORRHYSA-N 2 2 277.412 2.097 10 0 CEAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354734 175022391 /nfs/dbraw/zinc/02/23/91/175022391.db2.gz PGPRSSDWAWZXKV-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354734 175022393 /nfs/dbraw/zinc/02/23/93/175022393.db2.gz PGPRSSDWAWZXKV-XJKCOSOUSA-N 2 2 277.412 2.217 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCCSCC2)o1 ZINC000043364686 175025342 /nfs/dbraw/zinc/02/53/42/175025342.db2.gz AMWZMKNNRXRFPH-WCQYABFASA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCCSCC2)o1 ZINC000043364686 175025343 /nfs/dbraw/zinc/02/53/43/175025343.db2.gz AMWZMKNNRXRFPH-WCQYABFASA-N 2 2 254.399 2.415 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](CCO)C2CCCCC2)o1 ZINC000043365188 175026280 /nfs/dbraw/zinc/02/62/80/175026280.db2.gz OKDJSKHQZYJNRI-CQSZACIVSA-N 2 2 266.385 2.215 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](CCO)C2CCCCC2)o1 ZINC000043365188 175026281 /nfs/dbraw/zinc/02/62/81/175026281.db2.gz OKDJSKHQZYJNRI-CQSZACIVSA-N 2 2 266.385 2.215 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818867 175113760 /nfs/dbraw/zinc/11/37/60/175113760.db2.gz PAMPGNXYHBQCES-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818867 175113761 /nfs/dbraw/zinc/11/37/61/175113761.db2.gz PAMPGNXYHBQCES-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818865 175113886 /nfs/dbraw/zinc/11/38/86/175113886.db2.gz PAMPGNXYHBQCES-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818865 175113887 /nfs/dbraw/zinc/11/38/87/175113887.db2.gz PAMPGNXYHBQCES-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2)c1C ZINC000045172258 175321479 /nfs/dbraw/zinc/32/14/79/175321479.db2.gz JFKBGIVMECKLFF-NSHDSACASA-N 2 2 261.373 2.067 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378105 175367356 /nfs/dbraw/zinc/36/73/56/175367356.db2.gz FUBOXLLJDGPJPY-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378105 175367357 /nfs/dbraw/zinc/36/73/57/175367357.db2.gz FUBOXLLJDGPJPY-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1CCCCC1)[NH2+]C(C)C ZINC000045378359 175367857 /nfs/dbraw/zinc/36/78/57/175367857.db2.gz VIOIBPKBXMVQCU-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383900 175371054 /nfs/dbraw/zinc/37/10/54/175371054.db2.gz BVXBDLCJPCMXKA-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383900 175371055 /nfs/dbraw/zinc/37/10/55/175371055.db2.gz BVXBDLCJPCMXKA-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1OCCc2ccccc21 ZINC000071099255 176033032 /nfs/dbraw/zinc/03/30/32/176033032.db2.gz NZCCPYRFEIPDRD-ZBFHGGJFSA-N 2 2 285.391 2.477 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC[C@@H]2CC)C1 ZINC000071123465 176035246 /nfs/dbraw/zinc/03/52/46/176035246.db2.gz ZMGURZJVKIOKHI-QLFBSQMISA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC[C@@H]2CC)C1 ZINC000071123465 176035248 /nfs/dbraw/zinc/03/52/48/176035248.db2.gz ZMGURZJVKIOKHI-QLFBSQMISA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000071161851 176046151 /nfs/dbraw/zinc/04/61/51/176046151.db2.gz VMKXXHDUVCEEBP-GJZGRUSLSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000071161851 176046152 /nfs/dbraw/zinc/04/61/52/176046152.db2.gz VMKXXHDUVCEEBP-GJZGRUSLSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCC(OC)CC1 ZINC000071161612 176046573 /nfs/dbraw/zinc/04/65/73/176046573.db2.gz QARDMHJSRKAIKG-HIFRSBDPSA-N 2 2 254.418 2.395 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170292 176050738 /nfs/dbraw/zinc/05/07/38/176050738.db2.gz SMJRQZZFPHSBIV-UHFFFAOYSA-N 2 2 285.391 2.466 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191520 176069634 /nfs/dbraw/zinc/06/96/34/176069634.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191520 176069635 /nfs/dbraw/zinc/06/96/35/176069635.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191520 176069637 /nfs/dbraw/zinc/06/96/37/176069637.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191520 176069640 /nfs/dbraw/zinc/06/96/40/176069640.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 3 2 269.477 2.286 10 0 CEAELP C[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070560 /nfs/dbraw/zinc/07/05/60/176070560.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070562 /nfs/dbraw/zinc/07/05/62/176070562.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070563 /nfs/dbraw/zinc/07/05/63/176070563.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070564 /nfs/dbraw/zinc/07/05/64/176070564.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 3 2 293.430 2.360 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191897 176071370 /nfs/dbraw/zinc/07/13/70/176071370.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191897 176071372 /nfs/dbraw/zinc/07/13/72/176071372.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191897 176071373 /nfs/dbraw/zinc/07/13/73/176071373.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191897 176071374 /nfs/dbraw/zinc/07/13/74/176071374.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP C[NH2+][C@@H]1CCC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000071198464 176077146 /nfs/dbraw/zinc/07/71/46/176077146.db2.gz IRXFWEOEKAHZOW-OAHLLOKOSA-N 2 2 261.413 2.197 10 0 CEAELP C[NH2+][C@@H]1CCC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000071198464 176077147 /nfs/dbraw/zinc/07/71/47/176077147.db2.gz IRXFWEOEKAHZOW-OAHLLOKOSA-N 2 2 261.413 2.197 10 0 CEAELP CC[NH2+][C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000071198341 176077321 /nfs/dbraw/zinc/07/73/21/176077321.db2.gz KNIHYUVIRSHNKM-HNNXBMFYSA-N 2 2 250.361 2.442 10 0 CEAELP CC[NH2+][C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000071198341 176077322 /nfs/dbraw/zinc/07/73/22/176077322.db2.gz KNIHYUVIRSHNKM-HNNXBMFYSA-N 2 2 250.361 2.442 10 0 CEAELP CC[N@H+](CCOc1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071313925 176120332 /nfs/dbraw/zinc/12/03/32/176120332.db2.gz ANHCPVMIXQQYKN-HNNXBMFYSA-N 2 2 262.397 2.366 10 0 CEAELP CC[N@@H+](CCOc1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071313925 176120334 /nfs/dbraw/zinc/12/03/34/176120334.db2.gz ANHCPVMIXQQYKN-HNNXBMFYSA-N 2 2 262.397 2.366 10 0 CEAELP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]CC12CCCC2 ZINC000071343244 176130792 /nfs/dbraw/zinc/13/07/92/176130792.db2.gz HSVWXNAXLHPUGL-UHFFFAOYSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@@H](C)[C@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071355678 176137025 /nfs/dbraw/zinc/13/70/25/176137025.db2.gz KOEMUBYPJHSCBN-HUUCEWRRSA-N 2 2 278.444 2.372 10 0 CEAELP Cc1ccc(OCCn2cc[nH+]c2)c(C[C@H](C)[NH3+])c1 ZINC000071411878 176157644 /nfs/dbraw/zinc/15/76/44/176157644.db2.gz HZJUJFDEDUOFBV-ZDUSSCGKSA-N 2 2 259.353 2.160 10 0 CEAELP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400442681 277623761 /nfs/dbraw/zinc/62/37/61/277623761.db2.gz MUONQSVPAZMOTE-WCVJEAGWSA-N 3 2 267.461 2.085 10 0 CEAELP C[C@H]1C[NH+](CCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247165244 280322181 /nfs/dbraw/zinc/32/21/81/280322181.db2.gz ZQLDJBAMDDRNMC-STQMWFEESA-N 2 2 274.499 2.251 10 0 CEAELP C[C@H]1C[NH+](CCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000247165244 280322183 /nfs/dbraw/zinc/32/21/83/280322183.db2.gz ZQLDJBAMDDRNMC-STQMWFEESA-N 2 2 274.499 2.251 10 0 CEAELP Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)nc[nH+]1 ZINC000261635273 280627144 /nfs/dbraw/zinc/62/71/44/280627144.db2.gz WKJYHPMRDCSKSE-AWEZNQCLSA-N 2 2 254.337 2.084 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396410311 329319969 /nfs/dbraw/zinc/31/99/69/329319969.db2.gz FYPQERAYUIQAJQ-CPCZMJQVSA-N 2 2 294.361 2.296 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000396410311 329319971 /nfs/dbraw/zinc/31/99/71/329319971.db2.gz FYPQERAYUIQAJQ-CPCZMJQVSA-N 2 2 294.361 2.296 10 0 CEAELP c1[nH+]cn2c1C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC000253596932 333185804 /nfs/dbraw/zinc/18/58/04/333185804.db2.gz YDULSHMHFUZZIH-KRWDZBQOSA-N 2 2 298.390 2.262 10 0 CEAELP c1[nH+]cn2c1C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC000253596932 333185805 /nfs/dbraw/zinc/18/58/05/333185805.db2.gz YDULSHMHFUZZIH-KRWDZBQOSA-N 2 2 298.390 2.262 10 0 CEAELP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2csc(C)n2)O1 ZINC000052505959 519937204 /nfs/dbraw/zinc/93/72/04/519937204.db2.gz LGCBBBDJUYQLPQ-CABCVRRESA-N 2 2 297.468 2.431 10 0 CEAELP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2csc(C)n2)O1 ZINC000052505959 519937212 /nfs/dbraw/zinc/93/72/12/519937212.db2.gz LGCBBBDJUYQLPQ-CABCVRRESA-N 2 2 297.468 2.431 10 0 CEAELP CCOC(=O)[C@](C)(C[C@H](C)n1cc[nH+]c1C)[NH2+]C1CC1 ZINC000068648824 521325204 /nfs/dbraw/zinc/32/52/04/521325204.db2.gz ZSOFHBOIEMYWER-NHYWBVRUSA-N 2 2 279.384 2.216 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@](C)([NH2+]CC)C(=O)OC ZINC000068650260 521555699 /nfs/dbraw/zinc/55/56/99/521555699.db2.gz JLLXPPHINRZJNL-DOMZBBRYSA-N 2 2 281.400 2.328 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+](C)Cc2ccccn2)CCOCC1 ZINC000052181768 519719720 /nfs/dbraw/zinc/71/97/20/519719720.db2.gz WTUYDCSPBVVIAK-UHFFFAOYSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+](C)Cc2ccccn2)CCOCC1 ZINC000052181768 519719722 /nfs/dbraw/zinc/71/97/22/519719722.db2.gz WTUYDCSPBVVIAK-UHFFFAOYSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+][C@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068642041 519739931 /nfs/dbraw/zinc/73/99/31/519739931.db2.gz ZXDLVYPYZBDFBZ-CXAGYDPISA-N 2 2 289.423 2.023 10 0 CEAELP CC(C)C[NH2+]C[C@H](C)C[NH+]1CCN(c2nccs2)CC1 ZINC000052417649 519745876 /nfs/dbraw/zinc/74/58/76/519745876.db2.gz FFZJQGBJBCLUEB-AWEZNQCLSA-N 2 2 296.484 2.147 10 0 CEAELP CCNc1ncccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052727945 520375837 /nfs/dbraw/zinc/37/58/37/520375837.db2.gz NDLIFWKMCLCJIO-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1ncccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052727945 520375841 /nfs/dbraw/zinc/37/58/41/520375841.db2.gz NDLIFWKMCLCJIO-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccs1 ZINC000049543910 520776370 /nfs/dbraw/zinc/77/63/70/520776370.db2.gz QUKXCUGIVOGKCJ-VXGBXAGGSA-N 2 2 256.415 2.101 10 0 CEAELP CCOC(=O)[C@@](C)([NH3+])CCn1c(CC)[nH+]c2ccccc21 ZINC000062807983 521154526 /nfs/dbraw/zinc/15/45/26/521154526.db2.gz JAWYYYLPOYIPIU-INIZCTEOSA-N 2 2 289.379 2.269 10 0 CEAELP CC[N@H+](Cc1ccncc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590194 521423079 /nfs/dbraw/zinc/42/30/79/521423079.db2.gz WPODUZBQQXHPLK-CQSZACIVSA-N 2 2 265.426 2.128 10 0 CEAELP CC[N@@H+](Cc1ccncc1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590194 521423086 /nfs/dbraw/zinc/42/30/86/521423086.db2.gz WPODUZBQQXHPLK-CQSZACIVSA-N 2 2 265.426 2.128 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052505104 521477719 /nfs/dbraw/zinc/47/77/19/521477719.db2.gz JVFWUIZAGXOTAU-HIFRSBDPSA-N 2 2 250.386 2.304 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052505104 521477722 /nfs/dbraw/zinc/47/77/22/521477722.db2.gz JVFWUIZAGXOTAU-HIFRSBDPSA-N 2 2 250.386 2.304 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543978 521563530 /nfs/dbraw/zinc/56/35/30/521563530.db2.gz CIJCTLQKACPSQH-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543978 521563535 /nfs/dbraw/zinc/56/35/35/521563535.db2.gz CIJCTLQKACPSQH-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@H+](CC)CCOC ZINC000052203757 521929251 /nfs/dbraw/zinc/92/92/51/521929251.db2.gz GTVBOANBBJFZSP-OAHLLOKOSA-N 2 2 250.386 2.217 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[N@@H+](CC)CCOC ZINC000052203757 521929257 /nfs/dbraw/zinc/92/92/57/521929257.db2.gz GTVBOANBBJFZSP-OAHLLOKOSA-N 2 2 250.386 2.217 10 0 CEAELP CCc1[nH+]ccn1-c1c(C[NH2+]CC(C)C)c(C)nn1C ZINC000062738811 522580145 /nfs/dbraw/zinc/58/01/45/522580145.db2.gz YLGPWGCGRWIOIS-UHFFFAOYSA-N 2 2 275.400 2.222 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc(F)c1F ZINC000062803118 522647462 /nfs/dbraw/zinc/64/74/62/522647462.db2.gz XDXWRWONGMRAMO-LLVKDONJSA-N 2 2 265.307 2.489 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624990 523779830 /nfs/dbraw/zinc/77/98/30/523779830.db2.gz YYAGZWULYWMQCN-MRXNPFEDSA-N 2 2 262.397 2.057 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])CCc1ccccc1)C1CC1 ZINC000061624990 523779838 /nfs/dbraw/zinc/77/98/38/523779838.db2.gz YYAGZWULYWMQCN-MRXNPFEDSA-N 2 2 262.397 2.057 10 0 CEAELP COC(=O)[C@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)[NH2+]C(C)C ZINC000068650060 524000379 /nfs/dbraw/zinc/00/03/79/524000379.db2.gz QFSFHNAJIDUPFK-ABAIWWIYSA-N 2 2 281.400 2.381 10 0 CEAELP C[NH+](C)C1CC[NH+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022911 524040826 /nfs/dbraw/zinc/04/08/26/524040826.db2.gz NMDFVJSJEXHSMH-HNNXBMFYSA-N 3 2 274.412 2.080 10 0 CEAELP C[C@H]1COCC[N@@H+]1CC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000054017729 524721328 /nfs/dbraw/zinc/72/13/28/524721328.db2.gz ZYAZHBYDTLUSPN-FZMZJTMJSA-N 2 2 268.788 2.451 10 0 CEAELP C[C@H]1COCC[N@H+]1CC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000054017729 524721336 /nfs/dbraw/zinc/72/13/36/524721336.db2.gz ZYAZHBYDTLUSPN-FZMZJTMJSA-N 2 2 268.788 2.451 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757575 524839070 /nfs/dbraw/zinc/83/90/70/524839070.db2.gz ORSXLDSZVIORON-ZENOOKHLSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H]1CCCO ZINC000052757575 524839078 /nfs/dbraw/zinc/83/90/78/524839078.db2.gz ORSXLDSZVIORON-ZENOOKHLSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382394 524995183 /nfs/dbraw/zinc/99/51/83/524995183.db2.gz RHUVIALSWDNMEH-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382394 524995195 /nfs/dbraw/zinc/99/51/95/524995195.db2.gz RHUVIALSWDNMEH-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757516 525019145 /nfs/dbraw/zinc/01/91/45/525019145.db2.gz PPBOEZNGZUTKRD-MRVWCRGKSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccsc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757516 525019157 /nfs/dbraw/zinc/01/91/57/525019157.db2.gz PPBOEZNGZUTKRD-MRVWCRGKSA-N 2 2 268.426 2.373 10 0 CEAELP COc1ncccc1C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000052205599 525059639 /nfs/dbraw/zinc/05/96/39/525059639.db2.gz SQSJZUCTENQNQJ-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP COc1ncccc1C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000052205599 525059651 /nfs/dbraw/zinc/05/96/51/525059651.db2.gz SQSJZUCTENQNQJ-AWEZNQCLSA-N 2 2 263.385 2.054 10 0 CEAELP COc1ncccc1C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000052205597 525060916 /nfs/dbraw/zinc/06/09/16/525060916.db2.gz SQSJZUCTENQNQJ-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP COc1ncccc1C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000052205597 525060927 /nfs/dbraw/zinc/06/09/27/525060927.db2.gz SQSJZUCTENQNQJ-CQSZACIVSA-N 2 2 263.385 2.054 10 0 CEAELP Cc1ccccc1N(CCC[NH3+])c1cc[nH+]c(N(C)C)n1 ZINC000068689992 525219854 /nfs/dbraw/zinc/21/98/54/525219854.db2.gz ZJNATQQTXACVPC-UHFFFAOYSA-N 2 2 285.395 2.338 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCn3cc[nH+]c3C2)cc1 ZINC000062245618 525981324 /nfs/dbraw/zinc/98/13/24/525981324.db2.gz MNNWWPJFXMJNGY-BBRMVZONSA-N 2 2 270.380 2.096 10 0 CEAELP Cc1csc(C[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)n1 ZINC000054602613 526345885 /nfs/dbraw/zinc/34/58/85/526345885.db2.gz DGAFTDFHDLJUFQ-YOGCLGLASA-N 2 2 251.399 2.296 10 0 CEAELP Cc1csc(C[N@@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)n1 ZINC000054602613 526345887 /nfs/dbraw/zinc/34/58/87/526345887.db2.gz DGAFTDFHDLJUFQ-YOGCLGLASA-N 2 2 251.399 2.296 10 0 CEAELP CC1(C)CCC(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384720947 574842272 /nfs/dbraw/zinc/84/22/72/574842272.db2.gz NXTBGKVIUFUKPK-OAHLLOKOSA-N 2 2 268.445 2.249 10 0 CEAELP CC1(C)CCC(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384720947 574842273 /nfs/dbraw/zinc/84/22/73/574842273.db2.gz NXTBGKVIUFUKPK-OAHLLOKOSA-N 2 2 268.445 2.249 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434955 344374370 /nfs/dbraw/zinc/37/43/70/344374370.db2.gz BQFCJEOSSGZPCX-QGZVFWFLSA-N 2 2 292.423 2.284 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434955 344374372 /nfs/dbraw/zinc/37/43/72/344374372.db2.gz BQFCJEOSSGZPCX-QGZVFWFLSA-N 2 2 292.423 2.284 10 0 CEAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000136275199 344384578 /nfs/dbraw/zinc/38/45/78/344384578.db2.gz SDFTVHVPMKAQAE-LJQANCHMSA-N 2 2 295.430 2.332 10 0 CEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000136275199 344384581 /nfs/dbraw/zinc/38/45/81/344384581.db2.gz SDFTVHVPMKAQAE-LJQANCHMSA-N 2 2 295.430 2.332 10 0 CEAELP CSC[C@@H](C)C[NH2+]CC[NH2+]Cc1ccccc1 ZINC000307167418 344720561 /nfs/dbraw/zinc/72/05/61/344720561.db2.gz RNTNALXHWMMXMD-ZDUSSCGKSA-N 2 2 252.427 2.365 10 0 CEAELP CC(C)c1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384395001 344828401 /nfs/dbraw/zinc/82/84/01/344828401.db2.gz ODULNHBCUIVQCU-KRWDZBQOSA-N 2 2 276.424 2.356 10 0 CEAELP CC(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384395001 344828404 /nfs/dbraw/zinc/82/84/04/344828404.db2.gz ODULNHBCUIVQCU-KRWDZBQOSA-N 2 2 276.424 2.356 10 0 CEAELP Cc1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)o1 ZINC000229194703 539453114 /nfs/dbraw/zinc/45/31/14/539453114.db2.gz FSTFFAXBTCQPES-WXHSDQCUSA-N 2 2 252.358 2.006 10 0 CEAELP CCc1c(C)[nH+]c(-c2ccccc2)nc1N1CC[NH2+]CC1 ZINC000058047387 362606438 /nfs/dbraw/zinc/60/64/38/362606438.db2.gz SSOZHKZKCWRGRB-UHFFFAOYSA-N 2 2 282.391 2.424 10 0 CEAELP CCn1cc[nH+]c1C[C@@H](Cn1cnc2ccccc21)[NH2+]C ZINC000097304502 185581114 /nfs/dbraw/zinc/58/11/14/185581114.db2.gz FTEIVDQTLNJSMX-ZDUSSCGKSA-N 2 2 283.379 2.083 10 0 CEAELP COCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513396 179086878 /nfs/dbraw/zinc/08/68/78/179086878.db2.gz RHHDFHQLCMCNHR-GJZGRUSLSA-N 2 2 254.418 2.121 10 0 CEAELP COCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513396 179086879 /nfs/dbraw/zinc/08/68/79/179086879.db2.gz RHHDFHQLCMCNHR-GJZGRUSLSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@@H+]2CCSC[C@@H]2C)cs1 ZINC000085550513 179093193 /nfs/dbraw/zinc/09/31/93/179093193.db2.gz DKJNYCCJJGNFOD-DTWKUNHWSA-N 2 2 257.428 2.100 10 0 CEAELP C[C@@H]([NH3+])c1nc(C[N@H+]2CCSC[C@@H]2C)cs1 ZINC000085550513 179093194 /nfs/dbraw/zinc/09/31/94/179093194.db2.gz DKJNYCCJJGNFOD-DTWKUNHWSA-N 2 2 257.428 2.100 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085635102 179109387 /nfs/dbraw/zinc/10/93/87/179109387.db2.gz GAZGCZJUZIMFOE-BARDWOONSA-N 2 2 268.445 2.366 10 0 CEAELP CC[NH2+][C@H](C[NH3+])c1ccc(Br)c(C)c1 ZINC000085707139 179121971 /nfs/dbraw/zinc/12/19/71/179121971.db2.gz QYKWWPXMPWCOFI-LLVKDONJSA-N 2 2 257.175 2.367 10 0 CEAELP [NH3+][C@@]1(C[NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000085915011 179197735 /nfs/dbraw/zinc/19/77/35/179197735.db2.gz MNUGFSAUVKSSRD-OAHLLOKOSA-N 2 2 252.402 2.151 10 0 CEAELP CCC[NH2+][C@@H](CCO)Cn1c(CC)[nH+]c2ccccc21 ZINC000085923451 179201613 /nfs/dbraw/zinc/20/16/13/179201613.db2.gz XDASIAHBAONHMH-ZDUSSCGKSA-N 2 2 275.396 2.349 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C(C)C)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174368 179245265 /nfs/dbraw/zinc/24/52/65/179245265.db2.gz FLPBHLWQBGVHBA-YJNKXOJESA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](C(C)C)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086174368 179245266 /nfs/dbraw/zinc/24/52/66/179245266.db2.gz FLPBHLWQBGVHBA-YJNKXOJESA-N 2 2 254.418 2.262 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(CC)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261359 179260008 /nfs/dbraw/zinc/26/00/08/179260008.db2.gz JBFDCTUIJSLFOV-APIJFGDWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@H]1C[NH2+][C@](C)(CC)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261359 179260010 /nfs/dbraw/zinc/26/00/10/179260010.db2.gz JBFDCTUIJSLFOV-APIJFGDWSA-N 2 2 254.418 2.406 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1Cc1[nH+]ccn1C ZINC000086264888 179261110 /nfs/dbraw/zinc/26/11/10/179261110.db2.gz MOHNZKXTWXFEPY-CQSZACIVSA-N 2 2 276.428 2.163 10 0 CEAELP CC[C@]1(C)CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264799 179261292 /nfs/dbraw/zinc/26/12/92/179261292.db2.gz HRKVPQDIOKFHTM-DZGCQCFKSA-N 2 2 264.417 2.019 10 0 CEAELP Cc1cc(C[N@@H+]2CCC[NH2+][C@@H](Cc3ccccc3)C2)on1 ZINC000086292712 179266081 /nfs/dbraw/zinc/26/60/81/179266081.db2.gz ZKLPEAYCEPRNTH-INIZCTEOSA-N 2 2 285.391 2.390 10 0 CEAELP Cc1cc(C[N@H+]2CCC[NH2+][C@@H](Cc3ccccc3)C2)on1 ZINC000086292712 179266082 /nfs/dbraw/zinc/26/60/82/179266082.db2.gz ZKLPEAYCEPRNTH-INIZCTEOSA-N 2 2 285.391 2.390 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840345 179350948 /nfs/dbraw/zinc/35/09/48/179350948.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 3 2 279.472 2.467 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840345 179350950 /nfs/dbraw/zinc/35/09/50/179350950.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 3 2 279.472 2.467 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836771 179351654 /nfs/dbraw/zinc/35/16/54/179351654.db2.gz VGPZXBRZRPAMNV-AWEZNQCLSA-N 2 2 287.411 2.082 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]Cc2nnc3ccccn32)CC1 ZINC000086836771 179351655 /nfs/dbraw/zinc/35/16/55/179351655.db2.gz VGPZXBRZRPAMNV-AWEZNQCLSA-N 2 2 287.411 2.082 10 0 CEAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890383 179366548 /nfs/dbraw/zinc/36/65/48/179366548.db2.gz MFLGRBFCQNMDJT-BYNSBNAKSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCC[C@H](C)CC2)C[C@H](C)O1 ZINC000086890383 179366550 /nfs/dbraw/zinc/36/65/50/179366550.db2.gz MFLGRBFCQNMDJT-BYNSBNAKSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000086911011 179367428 /nfs/dbraw/zinc/36/74/28/179367428.db2.gz OTRYDMXIKNHDLU-RRFJBIMHSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC[C@@H]2C)CC1 ZINC000086911011 179367429 /nfs/dbraw/zinc/36/74/29/179367429.db2.gz OTRYDMXIKNHDLU-RRFJBIMHSA-N 2 2 254.418 2.395 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1F ZINC000086992321 179375074 /nfs/dbraw/zinc/37/50/74/179375074.db2.gz DLDYYMDPRVVVPK-HNNXBMFYSA-N 2 2 296.386 2.193 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1F ZINC000086992321 179375075 /nfs/dbraw/zinc/37/50/75/179375075.db2.gz DLDYYMDPRVVVPK-HNNXBMFYSA-N 2 2 296.386 2.193 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cnnc3ccccc32)C1 ZINC000616626733 348539641 /nfs/dbraw/zinc/53/96/41/348539641.db2.gz ARIYHNZGWZOQDB-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cnnc3ccccc32)C1 ZINC000616626733 348539642 /nfs/dbraw/zinc/53/96/42/348539642.db2.gz ARIYHNZGWZOQDB-ZDUSSCGKSA-N 2 2 270.380 2.158 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc3ccncc32)C1 ZINC000616609074 348533669 /nfs/dbraw/zinc/53/36/69/348533669.db2.gz LPPPYBDDSQKQSZ-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc3ccncc32)C1 ZINC000616609074 348533673 /nfs/dbraw/zinc/53/36/73/348533673.db2.gz LPPPYBDDSQKQSZ-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616616784 348535733 /nfs/dbraw/zinc/53/57/33/348535733.db2.gz XVHJVJIBELZDJE-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616616784 348535737 /nfs/dbraw/zinc/53/57/37/348535737.db2.gz XVHJVJIBELZDJE-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3cnccc32)C1 ZINC000616619861 348536664 /nfs/dbraw/zinc/53/66/64/348536664.db2.gz BLROOUXKMSMADC-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3cnccc32)C1 ZINC000616619861 348536666 /nfs/dbraw/zinc/53/66/66/348536666.db2.gz BLROOUXKMSMADC-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616621753 348537714 /nfs/dbraw/zinc/53/77/14/348537714.db2.gz XQYZFGOXWWUUNG-OAHLLOKOSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616621753 348537718 /nfs/dbraw/zinc/53/77/18/348537718.db2.gz XQYZFGOXWWUUNG-OAHLLOKOSA-N 2 2 276.380 2.001 10 0 CEAELP Nc1ccc([C@@H]2c3ccccc3CC[N@H+]2CC[NH3+])cc1 ZINC000616679450 348558290 /nfs/dbraw/zinc/55/82/90/348558290.db2.gz TYCAXEDTWQUBBJ-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1ccc([C@@H]2c3ccccc3CC[N@@H+]2CC[NH3+])cc1 ZINC000616679450 348558291 /nfs/dbraw/zinc/55/82/91/348558291.db2.gz TYCAXEDTWQUBBJ-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306289 179954628 /nfs/dbraw/zinc/95/46/28/179954628.db2.gz CGJMUYXHTRVVHE-LLVKDONJSA-N 2 2 297.805 2.130 10 0 CEAELP C[C@@H]1CC[N@@H+](CCOCC(F)(F)F)CC[C@H](C)[NH2+]1 ZINC000104440333 186003407 /nfs/dbraw/zinc/00/34/07/186003407.db2.gz FEWAZEKPODYOMM-PHIMTYICSA-N 2 2 268.323 2.028 10 0 CEAELP C[C@@H]1CC[N@H+](CCOCC(F)(F)F)CC[C@H](C)[NH2+]1 ZINC000104440333 186003408 /nfs/dbraw/zinc/00/34/08/186003408.db2.gz FEWAZEKPODYOMM-PHIMTYICSA-N 2 2 268.323 2.028 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@@H+]1CCc2sccc2[C@@H]1C)OC ZINC000090625241 180015752 /nfs/dbraw/zinc/01/57/52/180015752.db2.gz VOEZYTXTAPOXRK-QWRGUYRKSA-N 2 2 284.425 2.004 10 0 CEAELP COC(C[C@@H](C[NH3+])[N@H+]1CCc2sccc2[C@@H]1C)OC ZINC000090625241 180015753 /nfs/dbraw/zinc/01/57/53/180015753.db2.gz VOEZYTXTAPOXRK-QWRGUYRKSA-N 2 2 284.425 2.004 10 0 CEAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875368 180051186 /nfs/dbraw/zinc/05/11/86/180051186.db2.gz PFUZWDQVDGXTKR-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875368 180051187 /nfs/dbraw/zinc/05/11/87/180051187.db2.gz PFUZWDQVDGXTKR-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892385 180053759 /nfs/dbraw/zinc/05/37/59/180053759.db2.gz SCLHPBYAPPIUIR-WFASDCNBSA-N 2 2 278.371 2.203 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907480 180062449 /nfs/dbraw/zinc/06/24/49/180062449.db2.gz LAQPGGFZBUPJOZ-OWCLPIDISA-N 2 2 266.429 2.408 10 0 CEAELP CCC[C@](C)(C[NH2+]C1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907480 180062451 /nfs/dbraw/zinc/06/24/51/180062451.db2.gz LAQPGGFZBUPJOZ-OWCLPIDISA-N 2 2 266.429 2.408 10 0 CEAELP [NH3+]CCc1nc(C[N@@H+]2CCc3sccc3C2)cs1 ZINC000090957923 180075166 /nfs/dbraw/zinc/07/51/66/180075166.db2.gz ADJMTMRNCQGMGQ-UHFFFAOYSA-N 2 2 279.434 2.264 10 0 CEAELP [NH3+]CCc1nc(C[N@H+]2CCc3sccc3C2)cs1 ZINC000090957923 180075167 /nfs/dbraw/zinc/07/51/67/180075167.db2.gz ADJMTMRNCQGMGQ-UHFFFAOYSA-N 2 2 279.434 2.264 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C)cc1 ZINC000091322611 180134367 /nfs/dbraw/zinc/13/43/67/180134367.db2.gz XWJHHZHYDNMKIO-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C)cc1 ZINC000091322611 180134369 /nfs/dbraw/zinc/13/43/69/180134369.db2.gz XWJHHZHYDNMKIO-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1C ZINC000091322718 180134628 /nfs/dbraw/zinc/13/46/28/180134628.db2.gz QNBOERSHTOAVAZ-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1C ZINC000091322718 180134629 /nfs/dbraw/zinc/13/46/29/180134629.db2.gz QNBOERSHTOAVAZ-INIZCTEOSA-N 2 2 291.439 2.013 10 0 CEAELP CC(C)(C)N1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275605 180118522 /nfs/dbraw/zinc/11/85/22/180118522.db2.gz VCGFUWYOXBBADW-IUODEOHRSA-N 2 2 290.411 2.397 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275412 180118561 /nfs/dbraw/zinc/11/85/61/180118561.db2.gz LYPBRZUEHHYODU-DOMZBBRYSA-N 2 2 262.401 2.210 10 0 CEAELP CCC[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275412 180118563 /nfs/dbraw/zinc/11/85/63/180118563.db2.gz LYPBRZUEHHYODU-DOMZBBRYSA-N 2 2 262.401 2.210 10 0 CEAELP CC(C)CN1C(=O)CCC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275608 180118632 /nfs/dbraw/zinc/11/86/32/180118632.db2.gz XVUKBLCNQYDELI-CJNGLKHVSA-N 2 2 290.411 2.255 10 0 CEAELP CC(C)(C)N1C(=O)CC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275544 180118691 /nfs/dbraw/zinc/11/86/91/180118691.db2.gz VTRFWJPVOIIDSM-BXUZGUMPSA-N 2 2 276.384 2.007 10 0 CEAELP CC(C)(C)N1C(=O)CCC[C@@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275604 180118699 /nfs/dbraw/zinc/11/86/99/180118699.db2.gz VCGFUWYOXBBADW-DOMZBBRYSA-N 2 2 290.411 2.397 10 0 CEAELP C[N@@H+]1CCC[C@@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275404 180118703 /nfs/dbraw/zinc/11/87/03/180118703.db2.gz NOIBLIQCECXMII-BLLLJJGKSA-N 2 2 274.412 2.353 10 0 CEAELP C[N@H+]1CCC[C@@H](C[NH2+]C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275404 180118704 /nfs/dbraw/zinc/11/87/04/180118704.db2.gz NOIBLIQCECXMII-BLLLJJGKSA-N 2 2 274.412 2.353 10 0 CEAELP CN1CCC[C@@H](C[NH2+]C2CC2)[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275404 180118706 /nfs/dbraw/zinc/11/87/06/180118706.db2.gz NOIBLIQCECXMII-BLLLJJGKSA-N 2 2 274.412 2.353 10 0 CEAELP CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276235 180120226 /nfs/dbraw/zinc/12/02/26/180120226.db2.gz ZGKGXXHILJOPLP-YPMHNXCESA-N 2 2 250.390 2.338 10 0 CEAELP CC[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292081 180123598 /nfs/dbraw/zinc/12/35/98/180123598.db2.gz QBOOLTHRDWQDJQ-GFCCVEGCSA-N 2 2 254.399 2.197 10 0 CEAELP CC[N@@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccco1 ZINC000091292081 180123600 /nfs/dbraw/zinc/12/36/00/180123600.db2.gz QBOOLTHRDWQDJQ-GFCCVEGCSA-N 2 2 254.399 2.197 10 0 CEAELP CC[C@@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606164 180204189 /nfs/dbraw/zinc/20/41/89/180204189.db2.gz QTJUORBCXIPAEL-CVEARBPZSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCC1 ZINC000091606164 180204191 /nfs/dbraw/zinc/20/41/91/180204191.db2.gz QTJUORBCXIPAEL-CVEARBPZSA-N 2 2 276.428 2.059 10 0 CEAELP CC[NH2+][C@H](Cc1nn(C)c2ccccc12)C(C)(C)[NH+](C)C ZINC000091528959 180180989 /nfs/dbraw/zinc/18/09/89/180180989.db2.gz SIOYUAJHCWYQGX-MRXNPFEDSA-N 2 2 288.439 2.434 10 0 CEAELP CCC(CC)([C@@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCC1 ZINC000091634587 180211468 /nfs/dbraw/zinc/21/14/68/180211468.db2.gz SVOJQIHVFQQATL-AWEZNQCLSA-N 2 2 277.412 2.222 10 0 CEAELP CC[NH+](CC)C1([C@@H](Cc2cnn(C)c2)[NH2+]C)CCCC1 ZINC000091639469 180211975 /nfs/dbraw/zinc/21/19/75/180211975.db2.gz CSXWDYVTRYGVTF-OAHLLOKOSA-N 2 2 278.444 2.205 10 0 CEAELP CC1CCC(C(=O)Cc2ccc[nH+]c2N)([NH+](C)C)CC1 ZINC000091648292 180215885 /nfs/dbraw/zinc/21/58/85/180215885.db2.gz JIYMEKIYDOJRFS-UHFFFAOYSA-N 2 2 275.396 2.286 10 0 CEAELP C[C@@H]1CCC[C@](C(=O)Cc2ccc[nH+]c2N)([NH+](C)C)C1 ZINC000091650486 180216691 /nfs/dbraw/zinc/21/66/91/180216691.db2.gz ZKEAFSRRUKHHLJ-WBMJQRKESA-N 2 2 275.396 2.286 10 0 CEAELP CCC[NH2+][C@H](Cc1ccn([C@H](C)CC)n1)C[NH+](C)C ZINC000091719931 180234215 /nfs/dbraw/zinc/23/42/15/180234215.db2.gz DYNCGSIABSAUAW-UKRRQHHQSA-N 2 2 266.433 2.326 10 0 CEAELP CC[NH2+][C@H](Cc1ccnc2ccccc12)C[NH+](C)C ZINC000091719763 180234549 /nfs/dbraw/zinc/23/45/49/180234549.db2.gz PHJDYPCLMXCPEX-CQSZACIVSA-N 2 2 257.381 2.317 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720960 180235080 /nfs/dbraw/zinc/23/50/80/180235080.db2.gz PVCLJSMIEKBRAV-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720960 180235083 /nfs/dbraw/zinc/23/50/83/180235083.db2.gz PVCLJSMIEKBRAV-FVQBIDKESA-N 2 2 278.371 2.258 10 0 CEAELP CC[NH2+][C@H](c1cccc(OC)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721631 180238118 /nfs/dbraw/zinc/23/81/18/180238118.db2.gz KEUHRONNHDPIKV-DJIMGWMZSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1cccc(OC)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721631 180238120 /nfs/dbraw/zinc/23/81/20/180238120.db2.gz KEUHRONNHDPIKV-DJIMGWMZSA-N 2 2 290.407 2.209 10 0 CEAELP CCC[NH2+][C@H](c1ccoc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722291 180240220 /nfs/dbraw/zinc/24/02/20/180240220.db2.gz PZUNBHYOFWHHGN-RBSFLKMASA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+][C@H](c1ccoc1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722291 180240221 /nfs/dbraw/zinc/24/02/21/180240221.db2.gz PZUNBHYOFWHHGN-RBSFLKMASA-N 2 2 264.369 2.184 10 0 CEAELP CCC1CCC(C[NH3+])([C@@H](O)c2c[nH+]cn2CC)CC1 ZINC000091926323 180287237 /nfs/dbraw/zinc/28/72/37/180287237.db2.gz AJEXLEFLWYLEDB-BLZCZZARSA-N 2 2 265.401 2.482 10 0 CEAELP COc1c(C)c[nH+]c(COc2ccc(C)nc2C[NH3+])c1C ZINC000091993727 180301529 /nfs/dbraw/zinc/30/15/29/180301529.db2.gz FTIIZIJZPTVDBH-UHFFFAOYSA-N 2 2 287.363 2.448 10 0 CEAELP CC(C)[C@@H]1C[C@](C[NH3+])([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082989 180319284 /nfs/dbraw/zinc/31/92/84/180319284.db2.gz RPHCTYOGPFZRQU-LJISPDSOSA-N 2 2 254.418 2.107 10 0 CEAELP CC(C)[C@@H]1C[C@](C[NH3+])([N@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082989 180319285 /nfs/dbraw/zinc/31/92/85/180319285.db2.gz RPHCTYOGPFZRQU-LJISPDSOSA-N 2 2 254.418 2.107 10 0 CEAELP CCC[C@@H]1C[C@@](C[NH3+])([N@@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082980 180319365 /nfs/dbraw/zinc/31/93/65/180319365.db2.gz AWVZMONCWYACRL-BARDWOONSA-N 2 2 254.418 2.251 10 0 CEAELP CCC[C@@H]1C[C@@](C[NH3+])([N@H+]2C[C@H](C)[C@H](C)C2)CCO1 ZINC000092082980 180319366 /nfs/dbraw/zinc/31/93/66/180319366.db2.gz AWVZMONCWYACRL-BARDWOONSA-N 2 2 254.418 2.251 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307391 180360414 /nfs/dbraw/zinc/36/04/14/180360414.db2.gz JJJNXIFHHNSOLG-CYBMUJFWSA-N 2 2 260.381 2.237 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307391 180360415 /nfs/dbraw/zinc/36/04/15/180360415.db2.gz JJJNXIFHHNSOLG-CYBMUJFWSA-N 2 2 260.381 2.237 10 0 CEAELP CC[NH2+]CC[N@H+](C)C[C@H]1Cc2ccccc2S1 ZINC000092262999 180354850 /nfs/dbraw/zinc/35/48/50/180354850.db2.gz ZGQGBFFYFTYYJI-CYBMUJFWSA-N 2 2 250.411 2.245 10 0 CEAELP CC[NH2+]CC[N@@H+](C)C[C@H]1Cc2ccccc2S1 ZINC000092262999 180354853 /nfs/dbraw/zinc/35/48/53/180354853.db2.gz ZGQGBFFYFTYYJI-CYBMUJFWSA-N 2 2 250.411 2.245 10 0 CEAELP Cc1noc(C)c1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000092332097 180364664 /nfs/dbraw/zinc/36/46/64/180364664.db2.gz YPORFCYFVIENNY-LLVKDONJSA-N 2 2 251.374 2.428 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000092339885 180364982 /nfs/dbraw/zinc/36/49/82/180364982.db2.gz OFECDOITCKPLJE-CYBMUJFWSA-N 2 2 251.374 2.111 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](C[NH2+]C(C)C)C1 ZINC000092339885 180364984 /nfs/dbraw/zinc/36/49/84/180364984.db2.gz OFECDOITCKPLJE-CYBMUJFWSA-N 2 2 251.374 2.111 10 0 CEAELP CC[C@H]1C[N@@H+]([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342344 180365660 /nfs/dbraw/zinc/36/56/60/180365660.db2.gz SGYVVMSBLNEVMA-AAEUAGOBSA-N 2 2 251.374 2.426 10 0 CEAELP CC[C@H]1C[N@H+]([C@@H](C)c2c(C)noc2C)CCC[NH2+]1 ZINC000092342344 180365662 /nfs/dbraw/zinc/36/56/62/180365662.db2.gz SGYVVMSBLNEVMA-AAEUAGOBSA-N 2 2 251.374 2.426 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342800 180366342 /nfs/dbraw/zinc/36/63/42/180366342.db2.gz TVHSEIWYMXKYIS-CYBMUJFWSA-N 2 2 251.374 2.255 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2c(C)noc2C)CCC[NH2+]1 ZINC000092342800 180366344 /nfs/dbraw/zinc/36/63/44/180366344.db2.gz TVHSEIWYMXKYIS-CYBMUJFWSA-N 2 2 251.374 2.255 10 0 CEAELP CCCNc1cc[nH+]c(C[N@H+](C)[C@H](C)COC)c1 ZINC000092418393 180381457 /nfs/dbraw/zinc/38/14/57/180381457.db2.gz FJSYCBHSGIHNTD-GFCCVEGCSA-N 2 2 251.374 2.370 10 0 CEAELP CCCNc1cc[nH+]c(C[N@@H+](C)[C@H](C)COC)c1 ZINC000092418393 180381460 /nfs/dbraw/zinc/38/14/60/180381460.db2.gz FJSYCBHSGIHNTD-GFCCVEGCSA-N 2 2 251.374 2.370 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000092418125 180381504 /nfs/dbraw/zinc/38/15/04/180381504.db2.gz YVBUSMSIECYIML-ZDUSSCGKSA-N 2 2 251.399 2.451 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000092418125 180381506 /nfs/dbraw/zinc/38/15/06/180381506.db2.gz YVBUSMSIECYIML-ZDUSSCGKSA-N 2 2 251.399 2.451 10 0 CEAELP COc1cccc(-c2cn3c([nH+]2)[C@@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827672 186194129 /nfs/dbraw/zinc/19/41/29/186194129.db2.gz QAPNXILXFLRADG-JQWIXIFHSA-N 2 2 257.337 2.393 10 0 CEAELP COc1ccc(OC)c(-c2cn3c([nH+]2)[C@@H](C)C[C@H]([NH3+])C3)c1 ZINC000107827772 186194148 /nfs/dbraw/zinc/19/41/48/186194148.db2.gz BSZZPJMMIAFKIA-QWRGUYRKSA-N 2 2 287.363 2.402 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000109554405 186263164 /nfs/dbraw/zinc/26/31/64/186263164.db2.gz KMAFXQKPWDTEHE-ZDUSSCGKSA-N 2 2 278.396 2.135 10 0 CEAELP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)C1 ZINC000109554405 186263165 /nfs/dbraw/zinc/26/31/65/186263165.db2.gz KMAFXQKPWDTEHE-ZDUSSCGKSA-N 2 2 278.396 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)CC1CCCC1)OCCO2 ZINC000110836485 186328004 /nfs/dbraw/zinc/32/80/04/186328004.db2.gz VVEBINKBJYHCRJ-HZPDHXFCSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)CC1CCCC1)OCCO2 ZINC000110836485 186328005 /nfs/dbraw/zinc/32/80/05/186328005.db2.gz VVEBINKBJYHCRJ-HZPDHXFCSA-N 2 2 296.455 2.382 10 0 CEAELP CCC[N@H+](C1CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110938255 186334699 /nfs/dbraw/zinc/33/46/99/186334699.db2.gz SEBVMBPDIPBCKH-HNNXBMFYSA-N 2 2 282.428 2.136 10 0 CEAELP CCC[N@@H+](C1CCC2(CC1)OCCO2)[C@H]1CCC[NH2+]C1 ZINC000110938255 186334701 /nfs/dbraw/zinc/33/47/01/186334701.db2.gz SEBVMBPDIPBCKH-HNNXBMFYSA-N 2 2 282.428 2.136 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154181 186360552 /nfs/dbraw/zinc/36/05/52/186360552.db2.gz BWFAMOVHZPDHSH-SQWLQELKSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154181 186360553 /nfs/dbraw/zinc/36/05/53/186360553.db2.gz BWFAMOVHZPDHSH-SQWLQELKSA-N 2 2 277.412 2.218 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154969 186360651 /nfs/dbraw/zinc/36/06/51/186360651.db2.gz RLLVKXUCDXPRHV-DYEKYZERSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154969 186360653 /nfs/dbraw/zinc/36/06/53/186360653.db2.gz RLLVKXUCDXPRHV-DYEKYZERSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154403 186361203 /nfs/dbraw/zinc/36/12/03/186361203.db2.gz UKZNCLFGKQCVRV-DZKIICNBSA-N 2 2 262.397 2.433 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154403 186361204 /nfs/dbraw/zinc/36/12/04/186361204.db2.gz UKZNCLFGKQCVRV-DZKIICNBSA-N 2 2 262.397 2.433 10 0 CEAELP COc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154292 186360301 /nfs/dbraw/zinc/36/03/01/186360301.db2.gz GBXBQFVXIYHKOP-ZFWWWQNUSA-N 2 2 278.396 2.053 10 0 CEAELP COc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154292 186360302 /nfs/dbraw/zinc/36/03/02/186360302.db2.gz GBXBQFVXIYHKOP-ZFWWWQNUSA-N 2 2 278.396 2.053 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154423 186360316 /nfs/dbraw/zinc/36/03/16/186360316.db2.gz HQUHGFHPNAHALY-QWHCGFSZSA-N 2 2 268.426 2.415 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)s1 ZINC000111154423 186360317 /nfs/dbraw/zinc/36/03/17/186360317.db2.gz HQUHGFHPNAHALY-QWHCGFSZSA-N 2 2 268.426 2.415 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320641 186397456 /nfs/dbraw/zinc/39/74/56/186397456.db2.gz ZCHURRFBNYQWQM-HIFRSBDPSA-N 2 2 266.360 2.011 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320641 186397457 /nfs/dbraw/zinc/39/74/57/186397457.db2.gz ZCHURRFBNYQWQM-HIFRSBDPSA-N 2 2 266.360 2.011 10 0 CEAELP CC(C)[NH2+]C[C@]1(C[N@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325515 186399077 /nfs/dbraw/zinc/39/90/77/186399077.db2.gz QJHWIEOROVDREW-KRWDZBQOSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325515 186399078 /nfs/dbraw/zinc/39/90/78/186399078.db2.gz QJHWIEOROVDREW-KRWDZBQOSA-N 2 2 291.439 2.308 10 0 CEAELP C[N@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccsc1 ZINC000111239106 186374507 /nfs/dbraw/zinc/37/45/07/186374507.db2.gz ARYJOADBJYDMEL-ZDUSSCGKSA-N 2 2 254.399 2.106 10 0 CEAELP C[N@@H+](CC1CCOCC1)[C@@H](C[NH3+])c1ccsc1 ZINC000111239106 186374508 /nfs/dbraw/zinc/37/45/08/186374508.db2.gz ARYJOADBJYDMEL-ZDUSSCGKSA-N 2 2 254.399 2.106 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239098 186374774 /nfs/dbraw/zinc/37/47/74/186374774.db2.gz WBKVHYZWZCDELG-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111239098 186374776 /nfs/dbraw/zinc/37/47/76/186374776.db2.gz WBKVHYZWZCDELG-GOEBONIOSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1[nH]c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)[nH+]c1C ZINC000628180236 350993667 /nfs/dbraw/zinc/99/36/67/350993667.db2.gz HHADIHGZJMYIJZ-SMDDNHRTSA-N 2 2 262.401 2.085 10 0 CEAELP Cc1[nH]c(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)[nH+]c1C ZINC000628180236 350993668 /nfs/dbraw/zinc/99/36/68/350993668.db2.gz HHADIHGZJMYIJZ-SMDDNHRTSA-N 2 2 262.401 2.085 10 0 CEAELP CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C)cc2)[nH+]1 ZINC000070451609 363084045 /nfs/dbraw/zinc/08/40/45/363084045.db2.gz CRTXQGJRFJDVOQ-UHFFFAOYSA-N 2 2 282.391 2.424 10 0 CEAELP CO[C@H]1C[N@H+](Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361124 351712417 /nfs/dbraw/zinc/71/24/17/351712417.db2.gz LUJIYQPEPFHJNW-HIFRSBDPSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2ccc(SC)cc2)[C@](C)(C[NH3+])C1 ZINC000630361124 351712423 /nfs/dbraw/zinc/71/24/23/351712423.db2.gz LUJIYQPEPFHJNW-HIFRSBDPSA-N 2 2 280.437 2.347 10 0 CEAELP CO[C@@H]1C[N@H+](CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630364021 351713253 /nfs/dbraw/zinc/71/32/53/351713253.db2.gz CHVSIZRPLUZFIO-ZFWWWQNUSA-N 2 2 298.427 2.356 10 0 CEAELP CO[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)[C@](C)(C[NH3+])C1 ZINC000630364021 351713256 /nfs/dbraw/zinc/71/32/56/351713256.db2.gz CHVSIZRPLUZFIO-ZFWWWQNUSA-N 2 2 298.427 2.356 10 0 CEAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236376 213067834 /nfs/dbraw/zinc/06/78/34/213067834.db2.gz KYGHZROWVMYCKC-CJNGLKHVSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336236376 213067836 /nfs/dbraw/zinc/06/78/36/213067836.db2.gz KYGHZROWVMYCKC-CJNGLKHVSA-N 2 2 271.364 2.218 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151243120 366633559 /nfs/dbraw/zinc/63/35/59/366633559.db2.gz WFIAFMLUDSQVPS-UONOGXRCSA-N 2 2 280.387 2.323 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](CC3=CCCOC3)C2)[nH+]c1 ZINC000092812849 364110672 /nfs/dbraw/zinc/11/06/72/364110672.db2.gz VUKOMKVVAHZBGB-AWEZNQCLSA-N 2 2 273.380 2.162 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](CC3=CCCOC3)C2)[nH+]c1 ZINC000092812849 364110674 /nfs/dbraw/zinc/11/06/74/364110674.db2.gz VUKOMKVVAHZBGB-AWEZNQCLSA-N 2 2 273.380 2.162 10 0 CEAELP CC[C@H](C)C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000120371641 365415781 /nfs/dbraw/zinc/41/57/81/365415781.db2.gz PZIHKDOHTVXXBT-QWHCGFSZSA-N 2 2 277.416 2.123 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120496239 365432829 /nfs/dbraw/zinc/43/28/29/365432829.db2.gz BVPZUJRGNDWSCA-ZIAGYGMSSA-N 2 2 291.395 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120496239 365432832 /nfs/dbraw/zinc/43/28/32/365432832.db2.gz BVPZUJRGNDWSCA-ZIAGYGMSSA-N 2 2 291.395 2.036 10 0 CEAELP C[C@H]1COC[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120773690 365474450 /nfs/dbraw/zinc/47/44/50/365474450.db2.gz OIFTWBQXXMJFDS-KBPBESRZSA-N 2 2 271.364 2.482 10 0 CEAELP [NH3+]CC(F)(F)CNc1cc(C(F)(F)F)cc[nH+]1 ZINC000162692680 367179362 /nfs/dbraw/zinc/17/93/62/367179362.db2.gz GJILIPNVZXZQOA-UHFFFAOYSA-N 2 2 255.190 2.106 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@@H+](CCc3cccnc3)C2)[nH+]c1 ZINC000172158952 367686212 /nfs/dbraw/zinc/68/62/12/367686212.db2.gz SSUCVJNPCLIESY-INIZCTEOSA-N 2 2 282.391 2.453 10 0 CEAELP c1ccc(NC[C@@H]2CC[N@H+](CCc3cccnc3)C2)[nH+]c1 ZINC000172158952 367686216 /nfs/dbraw/zinc/68/62/16/367686216.db2.gz SSUCVJNPCLIESY-INIZCTEOSA-N 2 2 282.391 2.453 10 0 CEAELP CSCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172433827 367741696 /nfs/dbraw/zinc/74/16/96/367741696.db2.gz FTRAGHXPILSZRI-GFCCVEGCSA-N 2 2 251.399 2.178 10 0 CEAELP CSCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172433827 367741703 /nfs/dbraw/zinc/74/17/03/367741703.db2.gz FTRAGHXPILSZRI-GFCCVEGCSA-N 2 2 251.399 2.178 10 0 CEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184677393 368710490 /nfs/dbraw/zinc/71/04/90/368710490.db2.gz NPCCWJUTKHIROV-IPYPFGDCSA-N 2 2 271.368 2.317 10 0 CEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000184677393 368710493 /nfs/dbraw/zinc/71/04/93/368710493.db2.gz NPCCWJUTKHIROV-IPYPFGDCSA-N 2 2 271.368 2.317 10 0 CEAELP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccnc1 ZINC000185114746 368750398 /nfs/dbraw/zinc/75/03/98/368750398.db2.gz JPMHBXSEJLWROR-SJORKVTESA-N 2 2 291.439 2.359 10 0 CEAELP COc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000186122833 368922478 /nfs/dbraw/zinc/92/24/78/368922478.db2.gz BYRBLYASWYYVMR-CHWSQXEVSA-N 2 2 298.452 2.254 10 0 CEAELP Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670058 370487609 /nfs/dbraw/zinc/48/76/09/370487609.db2.gz QBJZUJBOAOEZRZ-OAHLLOKOSA-N 2 2 275.396 2.007 10 0 CEAELP Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670058 370487612 /nfs/dbraw/zinc/48/76/12/370487612.db2.gz QBJZUJBOAOEZRZ-OAHLLOKOSA-N 2 2 275.396 2.007 10 0 CEAELP C[C@H]1C[N@H+](CCOc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235635388 370570944 /nfs/dbraw/zinc/57/09/44/370570944.db2.gz JKLFJAAFXZZPAZ-GWCFXTLKSA-N 2 2 299.212 2.107 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235635388 370570948 /nfs/dbraw/zinc/57/09/48/370570948.db2.gz JKLFJAAFXZZPAZ-GWCFXTLKSA-N 2 2 299.212 2.107 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc3ncccc3c2)CC1 ZINC000259262658 371624340 /nfs/dbraw/zinc/62/43/40/371624340.db2.gz RKMJBCYIOKOKGW-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1[NH3+] ZINC000261690692 371703703 /nfs/dbraw/zinc/70/37/03/371703703.db2.gz AWBJUOBOLAYDLW-SWLSCSKDSA-N 2 2 284.363 2.048 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1[NH3+] ZINC000261690692 371703709 /nfs/dbraw/zinc/70/37/09/371703709.db2.gz AWBJUOBOLAYDLW-SWLSCSKDSA-N 2 2 284.363 2.048 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@@H]12 ZINC000261827414 371743028 /nfs/dbraw/zinc/74/30/28/371743028.db2.gz IVKFFJNJANCVEX-NUEKZKHPSA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]12 ZINC000261827414 371743034 /nfs/dbraw/zinc/74/30/34/371743034.db2.gz IVKFFJNJANCVEX-NUEKZKHPSA-N 2 2 282.391 2.041 10 0 CEAELP Nc1ncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000261894745 371765316 /nfs/dbraw/zinc/76/53/16/371765316.db2.gz UQYQSEZKUALMBP-NSHDSACASA-N 2 2 289.408 2.054 10 0 CEAELP Nc1ncc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000261894745 371765323 /nfs/dbraw/zinc/76/53/23/371765323.db2.gz UQYQSEZKUALMBP-NSHDSACASA-N 2 2 289.408 2.054 10 0 CEAELP CC1CCC([N@H+](Cc2noc(C[NH3+])n2)C2CC2)CC1 ZINC000262227382 371840126 /nfs/dbraw/zinc/84/01/26/371840126.db2.gz NLRAYPXZXBNQJW-UHFFFAOYSA-N 2 2 264.373 2.071 10 0 CEAELP CC1CCC([N@@H+](Cc2noc(C[NH3+])n2)C2CC2)CC1 ZINC000262227382 371840133 /nfs/dbraw/zinc/84/01/33/371840133.db2.gz NLRAYPXZXBNQJW-UHFFFAOYSA-N 2 2 264.373 2.071 10 0 CEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000333231518 205136186 /nfs/dbraw/zinc/13/61/86/205136186.db2.gz CBHHMNDGHPWLHF-LNSITVRQSA-N 2 2 273.380 2.190 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000188398515 542321159 /nfs/dbraw/zinc/32/11/59/542321159.db2.gz RXVLMBGZMNLDFS-OAHLLOKOSA-N 2 2 281.363 2.424 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)c[nH+]1 ZINC000188398515 542321163 /nfs/dbraw/zinc/32/11/63/542321163.db2.gz RXVLMBGZMNLDFS-OAHLLOKOSA-N 2 2 281.363 2.424 10 0 CEAELP C[NH2+][C@H](CCc1ccsc1)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000093926901 184744620 /nfs/dbraw/zinc/74/46/20/184744620.db2.gz VTCNVXTUCQVMTN-HUUCEWRRSA-N 2 2 282.453 2.378 10 0 CEAELP C[NH2+][C@H](CCc1ccsc1)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000093926901 184744621 /nfs/dbraw/zinc/74/46/21/184744621.db2.gz VTCNVXTUCQVMTN-HUUCEWRRSA-N 2 2 282.453 2.378 10 0 CEAELP CCn1cc[nH+]c1C[C@@H]([NH3+])C(CC)(CC)[NH+]1CCCC1 ZINC000094163476 184758533 /nfs/dbraw/zinc/75/85/33/184758533.db2.gz ZDESIPYLSRYOBE-CQSZACIVSA-N 3 2 278.444 2.427 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000094369645 184790160 /nfs/dbraw/zinc/79/01/60/184790160.db2.gz IWCHQBXKUCXAGH-KGLIPLIRSA-N 2 2 252.402 2.162 10 0 CEAELP C[NH2+][C@@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075704 184935551 /nfs/dbraw/zinc/93/55/51/184935551.db2.gz ABIPJBCGWZQDKB-HOTGVXAUSA-N 2 2 262.397 2.012 10 0 CEAELP C[NH2+][C@@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075704 184935552 /nfs/dbraw/zinc/93/55/52/184935552.db2.gz ABIPJBCGWZQDKB-HOTGVXAUSA-N 2 2 262.397 2.012 10 0 CEAELP C[NH2+][C@@H](C)CC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000043819642 134908053 /nfs/dbraw/zinc/90/80/53/134908053.db2.gz LNTPNELRKASICO-HNNXBMFYSA-N 2 2 275.440 2.423 10 0 CEAELP Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)nc[nH+]1 ZINC000261635276 394605033 /nfs/dbraw/zinc/60/50/33/394605033.db2.gz WKJYHPMRDCSKSE-CQSZACIVSA-N 2 2 254.337 2.084 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000341471985 395002409 /nfs/dbraw/zinc/00/24/09/395002409.db2.gz USDHVFJKAZEVEW-UXXRCYHCSA-N 2 2 266.429 2.405 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000341471985 395002411 /nfs/dbraw/zinc/00/24/11/395002411.db2.gz USDHVFJKAZEVEW-UXXRCYHCSA-N 2 2 266.429 2.405 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000396558105 395216363 /nfs/dbraw/zinc/21/63/63/395216363.db2.gz IYQSUBPSDRWYSB-SGMGOOAPSA-N 2 2 278.396 2.495 10 0 CEAELP C[C@@H]1COCC[C@@H]1[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000249117611 297140595 /nfs/dbraw/zinc/14/05/95/297140595.db2.gz SQNYJOYXOXYMBS-VNQPRFMTSA-N 2 2 262.397 2.304 10 0 CEAELP C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000178617911 165253689 /nfs/dbraw/zinc/25/36/89/165253689.db2.gz PGDRWCBHZZOBRZ-DOTOQJQBSA-N 2 2 276.424 2.270 10 0 CEAELP C[N@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226436 171091813 /nfs/dbraw/zinc/09/18/13/171091813.db2.gz OURZLXJNIPSRPA-LBPRGKRZSA-N 2 2 264.369 2.393 10 0 CEAELP C[N@@H+](CC(C)(C)C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226436 171091817 /nfs/dbraw/zinc/09/18/17/171091817.db2.gz OURZLXJNIPSRPA-LBPRGKRZSA-N 2 2 264.369 2.393 10 0 CEAELP COc1ccc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)c(OC)c1 ZINC000022045338 171350743 /nfs/dbraw/zinc/35/07/43/171350743.db2.gz KSVRFAWDDJQQCT-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc([C@@H](C)[N@H+]2CCC[NH2+]CC2)c(OC)c1 ZINC000022045338 171350744 /nfs/dbraw/zinc/35/07/44/171350744.db2.gz KSVRFAWDDJQQCT-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc(OC)c([C@@H](C)[N@@H+]2CCC[NH2+]CC2)c1 ZINC000022045563 171350807 /nfs/dbraw/zinc/35/08/07/171350807.db2.gz UYZULWOHCQQISL-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP COc1ccc(OC)c([C@@H](C)[N@H+]2CCC[NH2+]CC2)c1 ZINC000022045563 171350809 /nfs/dbraw/zinc/35/08/09/171350809.db2.gz UYZULWOHCQQISL-GFCCVEGCSA-N 2 2 264.369 2.060 10 0 CEAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363626 173153339 /nfs/dbraw/zinc/15/33/39/173153339.db2.gz YTFMHIXRSJRKBD-DOMZBBRYSA-N 2 2 260.381 2.496 10 0 CEAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037363626 173153343 /nfs/dbraw/zinc/15/33/43/173153343.db2.gz YTFMHIXRSJRKBD-DOMZBBRYSA-N 2 2 260.381 2.496 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087976 174100873 /nfs/dbraw/zinc/10/08/73/174100873.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 3 2 255.450 2.037 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087976 174100874 /nfs/dbraw/zinc/10/08/74/174100874.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 3 2 255.450 2.037 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000040638968 174362898 /nfs/dbraw/zinc/36/28/98/174362898.db2.gz OJOLZNAJBGVECP-UHFFFAOYSA-N 2 2 282.347 2.006 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@H]1CC2(CC[C@H]1[NH3+])OCCO2 ZINC000042033896 174634359 /nfs/dbraw/zinc/63/43/59/174634359.db2.gz WNQDJSKDCPNRAK-CABCVRRESA-N 2 2 284.444 2.223 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314950 175004834 /nfs/dbraw/zinc/00/48/34/175004834.db2.gz XPYWUVSNJDLCMO-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314950 175004836 /nfs/dbraw/zinc/00/48/36/175004836.db2.gz XPYWUVSNJDLCMO-INIZCTEOSA-N 2 2 262.397 2.414 10 0 CEAELP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326671 175008234 /nfs/dbraw/zinc/00/82/34/175008234.db2.gz YPOXULRGTISFJA-MXWKQRLJSA-N 2 2 250.308 2.449 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)[C@@H]1CCSC1 ZINC000043339155 175013385 /nfs/dbraw/zinc/01/33/85/175013385.db2.gz PGRBGHIIRFSKMI-MBNYWOFBSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043339155 175013386 /nfs/dbraw/zinc/01/33/86/175013386.db2.gz PGRBGHIIRFSKMI-MBNYWOFBSA-N 2 2 265.426 2.297 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339597 175013820 /nfs/dbraw/zinc/01/38/20/175013820.db2.gz OCOGPYCCSCFSEF-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339597 175013821 /nfs/dbraw/zinc/01/38/21/175013821.db2.gz OCOGPYCCSCFSEF-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)CCc1ccccn1 ZINC000043345933 175016720 /nfs/dbraw/zinc/01/67/20/175016720.db2.gz NQOWNKNKLCPIRN-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)CCc1ccccn1 ZINC000043345933 175016722 /nfs/dbraw/zinc/01/67/22/175016722.db2.gz NQOWNKNKLCPIRN-BBRMVZONSA-N 2 2 270.380 2.039 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347894 175018108 /nfs/dbraw/zinc/01/81/08/175018108.db2.gz QRODICZWXOCBOA-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043347894 175018110 /nfs/dbraw/zinc/01/81/10/175018110.db2.gz QRODICZWXOCBOA-HIFRSBDPSA-N 2 2 265.401 2.074 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC)[C@@H](C)COC ZINC000043348597 175018437 /nfs/dbraw/zinc/01/84/37/175018437.db2.gz WMYHMTWHBOQFKV-QEJZJMRPSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC)[C@@H](C)COC ZINC000043348597 175018438 /nfs/dbraw/zinc/01/84/38/175018438.db2.gz WMYHMTWHBOQFKV-QEJZJMRPSA-N 2 2 265.401 2.217 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348312 175018935 /nfs/dbraw/zinc/01/89/35/175018935.db2.gz MCRYEQSIWNHFHP-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348312 175018937 /nfs/dbraw/zinc/01/89/37/175018937.db2.gz MCRYEQSIWNHFHP-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354672 175022123 /nfs/dbraw/zinc/02/21/23/175022123.db2.gz WPKMVLXUXDPDHP-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043354672 175022126 /nfs/dbraw/zinc/02/21/26/175022126.db2.gz WPKMVLXUXDPDHP-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363836 175024631 /nfs/dbraw/zinc/02/46/31/175024631.db2.gz WSPQHPKCAJLBHX-GZBFAFLISA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363836 175024633 /nfs/dbraw/zinc/02/46/33/175024633.db2.gz WSPQHPKCAJLBHX-GZBFAFLISA-N 2 2 266.385 2.213 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CC)CCOC ZINC000043364877 175025903 /nfs/dbraw/zinc/02/59/03/175025903.db2.gz GLRMCKWKTHCEEH-TZMCWYRMSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CC)CCOC ZINC000043364877 175025904 /nfs/dbraw/zinc/02/59/04/175025904.db2.gz GLRMCKWKTHCEEH-TZMCWYRMSA-N 2 2 254.374 2.335 10 0 CEAELP CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883323 175116130 /nfs/dbraw/zinc/11/61/30/175116130.db2.gz ZJOSMVZVFHUZOH-QLFBSQMISA-N 2 2 282.428 2.135 10 0 CEAELP CC[C@@H]1CCCC[N@H+]1[C@@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043883323 175116131 /nfs/dbraw/zinc/11/61/31/175116131.db2.gz ZJOSMVZVFHUZOH-QLFBSQMISA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(=O)OC ZINC000045377441 175367249 /nfs/dbraw/zinc/36/72/49/175367249.db2.gz AJVUBRCQFUGWOZ-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090885 176031529 /nfs/dbraw/zinc/03/15/29/176031529.db2.gz FXXVMILERCASHJ-CJNGLKHVSA-N 2 2 271.364 2.175 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162683 176046810 /nfs/dbraw/zinc/04/68/10/176046810.db2.gz UKSLZGMGHSDCCG-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCCC[C@@H]1CC ZINC000071162683 176046812 /nfs/dbraw/zinc/04/68/12/176046812.db2.gz UKSLZGMGHSDCCG-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191224 176069442 /nfs/dbraw/zinc/06/94/42/176069442.db2.gz LPKWPZKBDAJKSO-OAHLLOKOSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071191224 176069444 /nfs/dbraw/zinc/06/94/44/176069444.db2.gz LPKWPZKBDAJKSO-OAHLLOKOSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071191224 176069445 /nfs/dbraw/zinc/06/94/45/176069445.db2.gz LPKWPZKBDAJKSO-OAHLLOKOSA-N 2 2 274.408 2.451 10 0 CEAELP Cc1ccc(C(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000071191224 176069446 /nfs/dbraw/zinc/06/94/46/176069446.db2.gz LPKWPZKBDAJKSO-OAHLLOKOSA-N 2 2 274.408 2.451 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192073 176073643 /nfs/dbraw/zinc/07/36/43/176073643.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(C)o1 ZINC000071192073 176073644 /nfs/dbraw/zinc/07/36/44/176073644.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192073 176073646 /nfs/dbraw/zinc/07/36/46/176073646.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(C)o1 ZINC000071192073 176073647 /nfs/dbraw/zinc/07/36/47/176073647.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP COCCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071359204 176137996 /nfs/dbraw/zinc/13/79/96/176137996.db2.gz FGCZFYKNLBFFGY-INIZCTEOSA-N 2 2 296.455 2.036 10 0 CEAELP COCCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@]1(C)C1CC1 ZINC000071359204 176137998 /nfs/dbraw/zinc/13/79/98/176137998.db2.gz FGCZFYKNLBFFGY-INIZCTEOSA-N 2 2 296.455 2.036 10 0 CEAELP CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000136323468 419444760 /nfs/dbraw/zinc/44/47/60/419444760.db2.gz WYZNKOGFGFBLTR-GFCCVEGCSA-N 2 2 272.352 2.184 10 0 CEAELP C[NH+](C)C[C@H]1C[N@@H+](CC2CCC(C)(C)CC2)CCO1 ZINC000156642762 289200130 /nfs/dbraw/zinc/20/01/30/289200130.db2.gz HCVDWBLYEKEJCW-HNNXBMFYSA-N 2 2 268.445 2.465 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCOC ZINC000054602456 519909951 /nfs/dbraw/zinc/90/99/51/519909951.db2.gz CAWROJAVQFBWER-GOOCMWNKSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCOC ZINC000054602456 519909954 /nfs/dbraw/zinc/90/99/54/519909954.db2.gz CAWROJAVQFBWER-GOOCMWNKSA-N 2 2 254.418 2.408 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631376 521182871 /nfs/dbraw/zinc/18/28/71/521182871.db2.gz WBWKBEATBMMEEI-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)C[C@@H](C)CC[C@@H]1C ZINC000068631376 521182883 /nfs/dbraw/zinc/18/28/83/521182883.db2.gz WBWKBEATBMMEEI-OFQRWUPVSA-N 2 2 282.428 2.040 10 0 CEAELP CC(C)(C)[NH2+]Cc1nccn1Cc1cn2ccccc2[nH+]1 ZINC000051015506 518768419 /nfs/dbraw/zinc/76/84/19/518768419.db2.gz WYVNTIRUPPMKMO-UHFFFAOYSA-N 2 2 283.379 2.467 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@@H+]2CCOCC2(C)C)o1 ZINC000052546095 519726840 /nfs/dbraw/zinc/72/68/40/519726840.db2.gz ZRIIUJDJTUEOMK-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CC(C)[NH2+]Cc1ccc(C[N@H+]2CCOCC2(C)C)o1 ZINC000052546095 519726841 /nfs/dbraw/zinc/72/68/41/519726841.db2.gz ZRIIUJDJTUEOMK-UHFFFAOYSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC000054602926 519908126 /nfs/dbraw/zinc/90/81/26/519908126.db2.gz ONGMKMIPHOTWIE-MQVJKMGUSA-N 2 2 276.428 2.268 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCn1cc[nH+]c1 ZINC000054602926 519908128 /nfs/dbraw/zinc/90/81/28/519908128.db2.gz ONGMKMIPHOTWIE-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCn1cc[nH+]c1 ZINC000054602926 519908131 /nfs/dbraw/zinc/90/81/31/519908131.db2.gz ONGMKMIPHOTWIE-MQVJKMGUSA-N 3 2 276.428 2.268 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061233413 519941726 /nfs/dbraw/zinc/94/17/26/519941726.db2.gz JAOHDENGURASME-SECBINFHSA-N 2 2 260.341 2.055 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000061230534 519941903 /nfs/dbraw/zinc/94/19/03/519941903.db2.gz HGUPBXFIVWLYCY-CYBMUJFWSA-N 2 2 286.379 2.116 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540193 519994783 /nfs/dbraw/zinc/99/47/83/519994783.db2.gz QVLLNUQAAXVEMB-GJZGRUSLSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540193 519994777 /nfs/dbraw/zinc/99/47/77/519994777.db2.gz QVLLNUQAAXVEMB-GJZGRUSLSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1occc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540218 520031159 /nfs/dbraw/zinc/03/11/59/520031159.db2.gz CEJAGXKYUMOFGJ-UONOGXRCSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+]Cc1occc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540218 520031168 /nfs/dbraw/zinc/03/11/68/520031168.db2.gz CEJAGXKYUMOFGJ-UONOGXRCSA-N 2 2 264.369 2.142 10 0 CEAELP CC[NH2+][C@H](C)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000061275056 520171849 /nfs/dbraw/zinc/17/18/49/520171849.db2.gz DFKAFBOAVDAPCU-CQSZACIVSA-N 2 2 279.403 2.336 10 0 CEAELP CC[NH2+][C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075201 520197344 /nfs/dbraw/zinc/19/73/44/520197344.db2.gz SZHMSFUUPJUMNG-QGZVFWFLSA-N 3 2 279.472 2.182 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](C)CCOC)cc1 ZINC000052920068 520428021 /nfs/dbraw/zinc/42/80/21/520428021.db2.gz UDSNUFPSJHAXNH-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](C)CCOC)cc1 ZINC000052920068 520428029 /nfs/dbraw/zinc/42/80/29/520428029.db2.gz UDSNUFPSJHAXNH-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP CCCc1[nH+]ccn1[C@H](C)C[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000068650318 521553328 /nfs/dbraw/zinc/55/33/28/521553328.db2.gz GYSJHQJRIIKYDH-MLGOLLRUSA-N 2 2 293.411 2.470 10 0 CEAELP C[NH2+]C(C)(C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061316197 521941011 /nfs/dbraw/zinc/94/10/11/521941011.db2.gz FWSWTFQKZRGJRB-UHFFFAOYSA-N 2 2 258.325 2.013 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054602583 521952421 /nfs/dbraw/zinc/95/24/21/521952421.db2.gz VELRWGZNMJDGFF-AVOUXACISA-N 2 2 252.402 2.018 10 0 CEAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCCOC1 ZINC000054602583 521952430 /nfs/dbraw/zinc/95/24/30/521952430.db2.gz VELRWGZNMJDGFF-AVOUXACISA-N 2 2 252.402 2.018 10 0 CEAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCSC1 ZINC000052453672 522078498 /nfs/dbraw/zinc/07/84/98/522078498.db2.gz XNRMYOPREBSMAT-ZIAGYGMSSA-N 2 2 250.411 2.384 10 0 CEAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000052453672 522078503 /nfs/dbraw/zinc/07/85/03/522078503.db2.gz XNRMYOPREBSMAT-ZIAGYGMSSA-N 2 2 250.411 2.384 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1ccnc(C(N)=[NH2+])c1 ZINC000068762164 522504436 /nfs/dbraw/zinc/50/44/36/522504436.db2.gz MTCOFQRCTVSZMZ-UHFFFAOYSA-N 2 2 279.347 2.326 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757616 522648290 /nfs/dbraw/zinc/64/82/90/522648290.db2.gz HZNHVTZZALSFLV-FMKPAKJESA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757616 522648301 /nfs/dbraw/zinc/64/83/01/522648301.db2.gz HZNHVTZZALSFLV-FMKPAKJESA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)C(C)(C)CC ZINC000069427669 522655789 /nfs/dbraw/zinc/65/57/89/522655789.db2.gz NFVVVTMFJNCBAO-OLZOCXBDSA-N 2 2 252.406 2.319 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)C(C)(C)CC ZINC000069427669 522655799 /nfs/dbraw/zinc/65/57/99/522655799.db2.gz NFVVVTMFJNCBAO-OLZOCXBDSA-N 2 2 252.406 2.319 10 0 CEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546447 523257987 /nfs/dbraw/zinc/25/79/87/523257987.db2.gz PHXQWMJFYQUUAN-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546447 523257996 /nfs/dbraw/zinc/25/79/96/523257996.db2.gz PHXQWMJFYQUUAN-MRXNPFEDSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579064 523259369 /nfs/dbraw/zinc/25/93/69/523259369.db2.gz BTGPLFPEQSRRLG-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP COCCC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579064 523259371 /nfs/dbraw/zinc/25/93/71/523259371.db2.gz BTGPLFPEQSRRLG-INIZCTEOSA-N 2 2 298.402 2.119 10 0 CEAELP C[N@H+](Cc1ccco1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181559 523435988 /nfs/dbraw/zinc/43/59/88/523435988.db2.gz NAAYSODBLDXNHD-UHFFFAOYSA-N 2 2 278.396 2.260 10 0 CEAELP C[N@@H+](Cc1ccco1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181559 523435998 /nfs/dbraw/zinc/43/59/98/523435998.db2.gz NAAYSODBLDXNHD-UHFFFAOYSA-N 2 2 278.396 2.260 10 0 CEAELP COC(=O)[C@@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)[NH2+]C(C)C ZINC000068650065 523815694 /nfs/dbraw/zinc/81/56/94/523815694.db2.gz QFSFHNAJIDUPFK-IAQYHMDHSA-N 2 2 281.400 2.381 10 0 CEAELP COc1ccc(C[NH2+][C@@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195074 524083756 /nfs/dbraw/zinc/08/37/56/524083756.db2.gz NMWQQNWQTOOSJN-HNNXBMFYSA-N 2 2 250.386 2.371 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)ccc1F ZINC000050546438 525481950 /nfs/dbraw/zinc/48/19/50/525481950.db2.gz OCAMGQAHIBUWPR-QGZVFWFLSA-N 3 2 293.430 2.408 10 0 CEAELP c1cn(CCCN2CC[NH2+][C@H](C3CCCCC3)C2)c[nH+]1 ZINC000068693956 526530586 /nfs/dbraw/zinc/53/05/86/526530586.db2.gz AZYPXQLAWZYLMP-INIZCTEOSA-N 2 2 276.428 2.127 10 0 CEAELP O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000050945187 526548241 /nfs/dbraw/zinc/54/82/41/526548241.db2.gz KQHYDOJMCCAATO-ZNMIVQPWSA-N 2 2 290.411 2.015 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+]1CCOC[C@H]1C ZINC000052476088 526774403 /nfs/dbraw/zinc/77/44/03/526774403.db2.gz OFMVHVJNLVPGCR-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+]1CCOC[C@H]1C ZINC000052476088 526774408 /nfs/dbraw/zinc/77/44/08/526774408.db2.gz OFMVHVJNLVPGCR-GFCCVEGCSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1[nH]c(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000054821960 526893536 /nfs/dbraw/zinc/89/35/36/526893536.db2.gz QQDNQWSTHDDVAD-SNVBAGLBSA-N 2 2 273.336 2.340 10 0 CEAELP Cc1[nH]c(CNc2cccnc2-n2cc[nH+]c2C)c[nH+]1 ZINC000054822305 526900710 /nfs/dbraw/zinc/90/07/10/526900710.db2.gz XIDULXQHMGZSGC-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP Cc1[nH]cc(CNc2cccnc2-n2cc[nH+]c2C)[nH+]1 ZINC000054822305 526900714 /nfs/dbraw/zinc/90/07/14/526900714.db2.gz XIDULXQHMGZSGC-UHFFFAOYSA-N 2 2 268.324 2.219 10 0 CEAELP NNc1cc(Cn2cc[nH+]c2-c2ccccc2)cc[nH+]1 ZINC000052727089 527275129 /nfs/dbraw/zinc/27/51/29/527275129.db2.gz MMWRKDWBSDKYLH-UHFFFAOYSA-N 2 2 265.320 2.279 10 0 CEAELP NNc1[nH+]cccc1Cn1cc[nH+]c1-c1ccccc1 ZINC000052727085 527288868 /nfs/dbraw/zinc/28/88/68/527288868.db2.gz ALBJKSYHLPYWHE-UHFFFAOYSA-N 2 2 265.320 2.279 10 0 CEAELP Cc1nc(N2CCC[C@H](C[NH2+]C(C)(C)C)C2)cc[nH+]1 ZINC000054937662 527346911 /nfs/dbraw/zinc/34/69/11/527346911.db2.gz KJNVHHLXMWMLOJ-CYBMUJFWSA-N 2 2 262.401 2.390 10 0 CEAELP OC[C@H](c1csc2ccccc12)[N@@H+]1CCC[NH2+]CC1 ZINC000054465844 527612769 /nfs/dbraw/zinc/61/27/69/527612769.db2.gz UPLHJVCANSSZHV-CQSZACIVSA-N 2 2 276.405 2.230 10 0 CEAELP OC[C@H](c1csc2ccccc12)[N@H+]1CCC[NH2+]CC1 ZINC000054465844 527612774 /nfs/dbraw/zinc/61/27/74/527612774.db2.gz UPLHJVCANSSZHV-CQSZACIVSA-N 2 2 276.405 2.230 10 0 CEAELP CCC([NH3+])(CC)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000094245909 535183208 /nfs/dbraw/zinc/18/32/08/535183208.db2.gz VIJBKSJVRNLBPS-UHFFFAOYSA-N 2 2 291.439 2.335 10 0 CEAELP CC[C@@H](C)[NH+]1CCN(c2nc[nH+]c3cc(N)ccc32)CC1 ZINC000087821125 535566960 /nfs/dbraw/zinc/56/69/60/535566960.db2.gz QGKIJCXCWVXOQL-GFCCVEGCSA-N 2 2 285.395 2.133 10 0 CEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@@H](O)C1 ZINC000388701611 642620612 /nfs/dbraw/zinc/62/06/12/642620612.db2.gz HGQSIZXZHPSRRX-XUWVNRHRSA-N 2 2 266.429 2.096 10 0 CEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCC[C@@H](O)C1 ZINC000388701611 642620616 /nfs/dbraw/zinc/62/06/16/642620616.db2.gz HGQSIZXZHPSRRX-XUWVNRHRSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC[C@@H](O)C1 ZINC000388701611 642620618 /nfs/dbraw/zinc/62/06/18/642620618.db2.gz HGQSIZXZHPSRRX-XUWVNRHRSA-N 2 2 266.429 2.096 10 0 CEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[C@@H](O)C1 ZINC000388701611 642620620 /nfs/dbraw/zinc/62/06/20/642620620.db2.gz HGQSIZXZHPSRRX-XUWVNRHRSA-N 2 2 266.429 2.096 10 0 CEAELP C[C@H](CC[NH3+])[NH+]1CCC([NH2+]Cc2ccsc2)CC1 ZINC000095831160 185029466 /nfs/dbraw/zinc/02/94/66/185029466.db2.gz SDGULFVEXTYVHF-GFCCVEGCSA-N 3 2 267.442 2.039 10 0 CEAELP [NH3+]CCc1c[nH+]cn1-c1ccc(C(F)(F)F)cc1 ZINC000097008658 185150905 /nfs/dbraw/zinc/15/09/05/185150905.db2.gz ODQYPDKPQNPQGD-UHFFFAOYSA-N 2 2 255.243 2.392 10 0 CEAELP C[C@@H](c1cccs1)n1c[nH+]cc1[C@H]1C[NH2+]CCO1 ZINC000097014798 185152063 /nfs/dbraw/zinc/15/20/63/185152063.db2.gz MOQRRDQPWNDSGO-CMPLNLGQSA-N 2 2 263.366 2.215 10 0 CEAELP Fc1c(Cl)cccc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097014310 185152084 /nfs/dbraw/zinc/15/20/84/185152084.db2.gz DAOGPDDJLRINCP-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP CC(C)CCOCCn1c[nH+]cc1[C@@H]1CC[NH2+]C1 ZINC000097023052 185154278 /nfs/dbraw/zinc/15/42/78/185154278.db2.gz JKWBPYMDIOBOLT-CYBMUJFWSA-N 2 2 251.374 2.023 10 0 CEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000028711011 343397885 /nfs/dbraw/zinc/39/78/85/343397885.db2.gz SOYFXGWMZNSNJQ-SFHVURJKSA-N 2 2 284.403 2.269 10 0 CEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000028711011 343397887 /nfs/dbraw/zinc/39/78/87/343397887.db2.gz SOYFXGWMZNSNJQ-SFHVURJKSA-N 2 2 284.403 2.269 10 0 CEAELP CC(C)[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069608263 343789339 /nfs/dbraw/zinc/78/93/39/343789339.db2.gz QFEQEKSMJZFACY-QGZVFWFLSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000069608263 343789340 /nfs/dbraw/zinc/78/93/40/343789340.db2.gz QFEQEKSMJZFACY-QGZVFWFLSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000069608263 343789341 /nfs/dbraw/zinc/78/93/41/343789341.db2.gz QFEQEKSMJZFACY-QGZVFWFLSA-N 2 2 276.424 2.352 10 0 CEAELP CC(C)[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000069608263 343789343 /nfs/dbraw/zinc/78/93/43/343789343.db2.gz QFEQEKSMJZFACY-QGZVFWFLSA-N 2 2 276.424 2.352 10 0 CEAELP C[NH+]1CCN(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000096464618 344240240 /nfs/dbraw/zinc/24/02/40/344240240.db2.gz NPPZMDCLQXBWEJ-UHFFFAOYSA-N 2 2 276.771 2.463 10 0 CEAELP FC(F)(F)[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2)C1 ZINC000220942757 344539162 /nfs/dbraw/zinc/53/91/62/344539162.db2.gz CAFKLPQYVVPXHJ-GFCCVEGCSA-N 2 2 258.287 2.270 10 0 CEAELP FC(F)(F)[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2)C1 ZINC000220942757 344539164 /nfs/dbraw/zinc/53/91/64/344539164.db2.gz CAFKLPQYVVPXHJ-GFCCVEGCSA-N 2 2 258.287 2.270 10 0 CEAELP Nc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000227991549 344558192 /nfs/dbraw/zinc/55/81/92/344558192.db2.gz FCHKAXFNCHQLQM-AWEZNQCLSA-N 2 2 283.379 2.135 10 0 CEAELP Nc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000227991549 344558193 /nfs/dbraw/zinc/55/81/93/344558193.db2.gz FCHKAXFNCHQLQM-AWEZNQCLSA-N 2 2 283.379 2.135 10 0 CEAELP Cc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307024359 344719595 /nfs/dbraw/zinc/71/95/95/344719595.db2.gz IMOJNQLFCJVQFJ-AWEZNQCLSA-N 2 2 283.379 2.054 10 0 CEAELP Cc1c(N)[nH+]cnc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307024359 344719597 /nfs/dbraw/zinc/71/95/97/344719597.db2.gz IMOJNQLFCJVQFJ-AWEZNQCLSA-N 2 2 283.379 2.054 10 0 CEAELP c1[nH]nc2cc(C[N@@H+](C[C@@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645168 344758262 /nfs/dbraw/zinc/75/82/62/344758262.db2.gz SBBVNPVBOVOPID-AWEZNQCLSA-N 2 2 270.380 2.279 10 0 CEAELP c1[nH]nc2cc(C[N@H+](C[C@@H]3CCC[NH2+]3)C3CC3)ccc12 ZINC000328645168 344758263 /nfs/dbraw/zinc/75/82/63/344758263.db2.gz SBBVNPVBOVOPID-AWEZNQCLSA-N 2 2 270.380 2.279 10 0 CEAELP CC(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384395002 344828431 /nfs/dbraw/zinc/82/84/31/344828431.db2.gz ODULNHBCUIVQCU-QGZVFWFLSA-N 2 2 276.424 2.356 10 0 CEAELP CC(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384395002 344828433 /nfs/dbraw/zinc/82/84/33/344828433.db2.gz ODULNHBCUIVQCU-QGZVFWFLSA-N 2 2 276.424 2.356 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774822 344984904 /nfs/dbraw/zinc/98/49/04/344984904.db2.gz OWAXBTUGCHNNAW-XHSDSOJGSA-N 3 2 267.461 2.085 10 0 CEAELP CCCn1cc[nH+]c1C[C@H]([NH3+])[C@H]1OCCc2ccccc21 ZINC000097311081 185584182 /nfs/dbraw/zinc/58/41/82/185584182.db2.gz ILEKGLRDRKNGGM-RDJZCZTQSA-N 2 2 285.391 2.477 10 0 CEAELP COCCCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178310691 232369945 /nfs/dbraw/zinc/36/99/45/232369945.db2.gz DGFSPZUXOJBWPJ-OAHLLOKOSA-N 2 2 265.401 2.473 10 0 CEAELP COCCCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178310691 232369948 /nfs/dbraw/zinc/36/99/48/232369948.db2.gz DGFSPZUXOJBWPJ-OAHLLOKOSA-N 2 2 265.401 2.473 10 0 CEAELP C[NH2+][C@@](C)(CO)C[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000085263349 178993946 /nfs/dbraw/zinc/99/39/46/178993946.db2.gz XCHMLTBNWFFIMG-IAQYHMDHSA-N 2 2 261.369 2.266 10 0 CEAELP Cc1ccc([N@H+](C)CCC[C@](C)(O)C[NH3+])c(C)c1 ZINC000085303677 179010817 /nfs/dbraw/zinc/01/08/17/179010817.db2.gz PPIGAZGVNFNHGX-HNNXBMFYSA-N 2 2 250.386 2.230 10 0 CEAELP Cc1ccc([N@@H+](C)CCC[C@](C)(O)C[NH3+])c(C)c1 ZINC000085303677 179010820 /nfs/dbraw/zinc/01/08/20/179010820.db2.gz PPIGAZGVNFNHGX-HNNXBMFYSA-N 2 2 250.386 2.230 10 0 CEAELP CC[N@H+](CC[C@@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303897 179011300 /nfs/dbraw/zinc/01/13/00/179011300.db2.gz BCHOSLJNNPLPQN-CQSZACIVSA-N 2 2 258.365 2.376 10 0 CEAELP CC[N@@H+](CC[C@@H](O)C[NH3+])c1cccc2ccccc21 ZINC000085303897 179011302 /nfs/dbraw/zinc/01/13/02/179011302.db2.gz BCHOSLJNNPLPQN-CQSZACIVSA-N 2 2 258.365 2.376 10 0 CEAELP Cc1ccc([N@H+](C)CCC[C@@](C)(O)C[NH3+])c(C)c1 ZINC000085303681 179011339 /nfs/dbraw/zinc/01/13/39/179011339.db2.gz PPIGAZGVNFNHGX-OAHLLOKOSA-N 2 2 250.386 2.230 10 0 CEAELP Cc1ccc([N@@H+](C)CCC[C@@](C)(O)C[NH3+])c(C)c1 ZINC000085303681 179011340 /nfs/dbraw/zinc/01/13/40/179011340.db2.gz PPIGAZGVNFNHGX-OAHLLOKOSA-N 2 2 250.386 2.230 10 0 CEAELP CCc1[nH+]c2ccccc2n1CCC[C@@](C)(O)C[NH3+] ZINC000085304565 179012020 /nfs/dbraw/zinc/01/20/20/179012020.db2.gz JPKFTZDXHNJTOT-OAHLLOKOSA-N 2 2 261.369 2.089 10 0 CEAELP Cc1cc2[nH+]cn([C@H](C)C[C@@](C)(O)C[NH3+])c2cc1C ZINC000085304593 179012247 /nfs/dbraw/zinc/01/22/47/179012247.db2.gz VGXGVIJDZQXBQB-IUODEOHRSA-N 2 2 261.369 2.314 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000085398052 179050753 /nfs/dbraw/zinc/05/07/53/179050753.db2.gz OJIHYDFSHAORMQ-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000085398052 179050754 /nfs/dbraw/zinc/05/07/54/179050754.db2.gz OJIHYDFSHAORMQ-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)CO[C@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)C1(C)C ZINC000085400987 179051617 /nfs/dbraw/zinc/05/16/17/179051617.db2.gz AVGYRCCJSOSLJI-KBPBESRZSA-N 2 2 279.428 2.392 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085515060 179086386 /nfs/dbraw/zinc/08/63/86/179086386.db2.gz VPWSBOPGJWFZQH-JKSUJKDBSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCn1cccn1 ZINC000085515060 179086387 /nfs/dbraw/zinc/08/63/87/179086387.db2.gz VPWSBOPGJWFZQH-JKSUJKDBSA-N 2 2 276.428 2.126 10 0 CEAELP CCC1(CC)C[N@H+](CCOCCOC)[C@](C)(C2CC2)C[NH2+]1 ZINC000085520926 179087700 /nfs/dbraw/zinc/08/77/00/179087700.db2.gz ZJZVLBAYQABHRK-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCCOC)[C@](C)(C2CC2)C[NH2+]1 ZINC000085520926 179087702 /nfs/dbraw/zinc/08/77/02/179087702.db2.gz ZJZVLBAYQABHRK-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1CCCn1cc[nH+]c1 ZINC000085504275 179084692 /nfs/dbraw/zinc/08/46/92/179084692.db2.gz FCCLBVGNOXKQSH-WBVHZDCISA-N 2 2 284.407 2.308 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085624038 179106589 /nfs/dbraw/zinc/10/65/89/179106589.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 3 2 278.444 2.372 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085624038 179106590 /nfs/dbraw/zinc/10/65/90/179106590.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 3 2 278.444 2.372 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085624043 179107270 /nfs/dbraw/zinc/10/72/70/179107270.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 3 2 278.444 2.372 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085624043 179107272 /nfs/dbraw/zinc/10/72/72/179107272.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 3 2 278.444 2.372 10 0 CEAELP CC(C)(C)[C@@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613602 179103297 /nfs/dbraw/zinc/10/32/97/179103297.db2.gz WRWUQCSOMYCFPM-NSHDSACASA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)(C)[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613602 179103298 /nfs/dbraw/zinc/10/32/98/179103298.db2.gz WRWUQCSOMYCFPM-NSHDSACASA-N 2 2 282.350 2.275 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615133 179103680 /nfs/dbraw/zinc/10/36/80/179103680.db2.gz GGNIBEFODAFTRA-QGZVFWFLSA-N 3 2 290.455 2.436 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615133 179103682 /nfs/dbraw/zinc/10/36/82/179103682.db2.gz GGNIBEFODAFTRA-QGZVFWFLSA-N 3 2 290.455 2.436 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623649 179105265 /nfs/dbraw/zinc/10/52/65/179105265.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 3 2 276.428 2.044 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623649 179105266 /nfs/dbraw/zinc/10/52/66/179105266.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 3 2 276.428 2.044 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1CCOCC(F)(F)F ZINC000085622482 179105594 /nfs/dbraw/zinc/10/55/94/179105594.db2.gz JZHLAHOYOUEWHX-JTQLQIEISA-N 2 2 268.323 2.028 10 0 CEAELP C[C@H]1CC[NH2+]C(C)(C)C[N@H+]1CCOCC(F)(F)F ZINC000085622482 179105596 /nfs/dbraw/zinc/10/55/96/179105596.db2.gz JZHLAHOYOUEWHX-JTQLQIEISA-N 2 2 268.323 2.028 10 0 CEAELP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336813866 365855070 /nfs/dbraw/zinc/85/50/70/365855070.db2.gz VTFWRBGHLSCMLL-HUUCEWRRSA-N 2 2 262.397 2.494 10 0 CEAELP Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000336813866 365855075 /nfs/dbraw/zinc/85/50/75/365855075.db2.gz VTFWRBGHLSCMLL-HUUCEWRRSA-N 2 2 262.397 2.494 10 0 CEAELP C[NH2+][C@H](Cc1cc(Br)ccc1F)C[NH+](C)C ZINC000085798630 179173309 /nfs/dbraw/zinc/17/33/09/179173309.db2.gz DGHOICVDEICGGV-LLVKDONJSA-N 2 2 289.192 2.280 10 0 CEAELP COC[C@H](C)[N@@H+]1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086180055 179246931 /nfs/dbraw/zinc/24/69/31/179246931.db2.gz HFZOCIMTONZWIL-BFHYXJOUSA-N 2 2 256.434 2.366 10 0 CEAELP COC[C@H](C)[N@H+]1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C(C)C ZINC000086180055 179246932 /nfs/dbraw/zinc/24/69/32/179246932.db2.gz HFZOCIMTONZWIL-BFHYXJOUSA-N 2 2 256.434 2.366 10 0 CEAELP CO[C@H]1CCC[C@H]1[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086261328 179260291 /nfs/dbraw/zinc/26/02/91/179260291.db2.gz HEMKPGYSNHPAMA-PMOUVXMZSA-N 2 2 252.402 2.016 10 0 CEAELP CO[C@H]1CCC[C@H]1[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1C ZINC000086261328 179260294 /nfs/dbraw/zinc/26/02/94/179260294.db2.gz HEMKPGYSNHPAMA-PMOUVXMZSA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264842 179260935 /nfs/dbraw/zinc/26/09/35/179260935.db2.gz DKCDAJMDKZQBFE-HOTGVXAUSA-N 2 2 284.407 2.345 10 0 CEAELP COCC[C@H](C)[N@@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086268094 179261746 /nfs/dbraw/zinc/26/17/46/179261746.db2.gz NOJSRZHXKBNXQV-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[C@H](C)[N@H+]1CC2(CCCCC2)[NH2+]C[C@@H]1C ZINC000086268094 179261747 /nfs/dbraw/zinc/26/17/47/179261747.db2.gz NOJSRZHXKBNXQV-KBPBESRZSA-N 2 2 254.418 2.408 10 0 CEAELP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1CC1CC[NH+](C)CC1 ZINC000086258976 179256362 /nfs/dbraw/zinc/25/63/62/179256362.db2.gz JQOWBEIKTRDVAT-CRAIPNDOSA-N 2 2 287.451 2.363 10 0 CEAELP CCC1(CC)C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293325 179267546 /nfs/dbraw/zinc/26/75/46/179267546.db2.gz CXWAAVLMNNQDTA-UHFFFAOYSA-N 3 2 255.450 2.182 10 0 CEAELP CCC1(CC)C[N@@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293325 179267547 /nfs/dbraw/zinc/26/75/47/179267547.db2.gz CXWAAVLMNNQDTA-UHFFFAOYSA-N 3 2 255.450 2.182 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818507 179346470 /nfs/dbraw/zinc/34/64/70/179346470.db2.gz YWHKQSWXEAEHRO-KBPBESRZSA-N 2 2 291.443 2.139 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818507 179346471 /nfs/dbraw/zinc/34/64/71/179346471.db2.gz YWHKQSWXEAEHRO-KBPBESRZSA-N 2 2 291.443 2.139 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086833518 179350175 /nfs/dbraw/zinc/35/01/75/179350175.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC000086833518 179350177 /nfs/dbraw/zinc/35/01/77/179350177.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC000086833518 179350180 /nfs/dbraw/zinc/35/01/80/179350180.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[NH2+]C[C@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC000086833518 179350181 /nfs/dbraw/zinc/35/01/81/179350181.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 3 2 267.461 2.181 10 0 CEAELP C[N@@H+]1CCC[C@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086833630 179350543 /nfs/dbraw/zinc/35/05/43/179350543.db2.gz SGKSHNLITINQCR-CQSZACIVSA-N 2 2 265.426 2.292 10 0 CEAELP C[N@H+]1CCC[C@]([NH3+])(c2nc3c(s2)CCCC3)CC1 ZINC000086833630 179350545 /nfs/dbraw/zinc/35/05/45/179350545.db2.gz SGKSHNLITINQCR-CQSZACIVSA-N 2 2 265.426 2.292 10 0 CEAELP CCC1(C)CC[NH+]([C@@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875764 179365330 /nfs/dbraw/zinc/36/53/30/179365330.db2.gz HPZLKBTVMMFVED-HNNXBMFYSA-N 2 2 254.418 2.397 10 0 CEAELP CCC[C@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947843 179368537 /nfs/dbraw/zinc/36/85/37/179368537.db2.gz NUVPDTHTVAGPPP-LSDHHAIUSA-N 2 2 254.418 2.397 10 0 CEAELP C[NH2+][C@@H](CCCOC)Cc1[nH+]cc(C)c(OC)c1C ZINC000086969900 179370556 /nfs/dbraw/zinc/37/05/56/179370556.db2.gz QVILHIMATBFKJP-ZDUSSCGKSA-N 2 2 266.385 2.264 10 0 CEAELP [NH3+]CCc1cn(Cc2sccc2Br)c[nH+]1 ZINC000087016523 179380482 /nfs/dbraw/zinc/38/04/82/179380482.db2.gz QWCBLNHWPBAWIM-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP CC(=O)Nc1cccc([C@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616614655 348534680 /nfs/dbraw/zinc/53/46/80/348534680.db2.gz HDQAZWYTGXTMAY-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1cccc([C@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616614655 348534683 /nfs/dbraw/zinc/53/46/83/348534683.db2.gz HDQAZWYTGXTMAY-OAHLLOKOSA-N 2 2 261.369 2.131 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc2nnccc21 ZINC000616616712 348535938 /nfs/dbraw/zinc/53/59/38/348535938.db2.gz VHCFDWWNYCNQOB-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc2nnccc21 ZINC000616616712 348535941 /nfs/dbraw/zinc/53/59/41/348535941.db2.gz VHCFDWWNYCNQOB-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616620700 348537347 /nfs/dbraw/zinc/53/73/47/348537347.db2.gz KLYBMFVHOFEEHA-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616620700 348537350 /nfs/dbraw/zinc/53/73/50/348537350.db2.gz KLYBMFVHOFEEHA-HNNXBMFYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(CO)c1 ZINC000616680094 348558894 /nfs/dbraw/zinc/55/88/94/348558894.db2.gz LQILUMPXYRVRPV-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc(CO)c1 ZINC000616680094 348558896 /nfs/dbraw/zinc/55/88/96/348558896.db2.gz LQILUMPXYRVRPV-GOSISDBHSA-N 2 2 282.387 2.085 10 0 CEAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)c[nH+]1 ZINC000178516816 542250073 /nfs/dbraw/zinc/25/00/73/542250073.db2.gz VXBHLILGRORTBV-OAHLLOKOSA-N 2 2 299.374 2.319 10 0 CEAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)c[nH+]1 ZINC000178516816 542250077 /nfs/dbraw/zinc/25/00/77/542250077.db2.gz VXBHLILGRORTBV-OAHLLOKOSA-N 2 2 299.374 2.319 10 0 CEAELP CCn1c[nH+]cc1COc1cccc2c1CC[C@H]2[NH3+] ZINC000090235547 179937503 /nfs/dbraw/zinc/93/75/03/179937503.db2.gz REXZBHQXWGONKU-CQSZACIVSA-N 2 2 257.337 2.428 10 0 CEAELP CC(C)n1c[nH+]cc1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000090237057 535103288 /nfs/dbraw/zinc/10/32/88/535103288.db2.gz KCLFJJBLBIAZHY-CQSZACIVSA-N 2 2 270.380 2.354 10 0 CEAELP [NH3+]CCN(c1cn[nH+]c2ccccc21)C1CCCC1 ZINC000104432120 186000131 /nfs/dbraw/zinc/00/01/31/186000131.db2.gz QFYRYJUHONWODQ-UHFFFAOYSA-N 2 2 256.353 2.338 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874397 180050283 /nfs/dbraw/zinc/05/02/83/180050283.db2.gz MMMXMLVIMGSOSF-UKRRQHHQSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875355 180051406 /nfs/dbraw/zinc/05/14/06/180051406.db2.gz RWSRGHBTPXPQRN-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875355 180051409 /nfs/dbraw/zinc/05/14/09/180051409.db2.gz RWSRGHBTPXPQRN-CABCVRRESA-N 2 2 260.381 2.064 10 0 CEAELP Fc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893521 180055411 /nfs/dbraw/zinc/05/54/11/180055411.db2.gz HAASZLNSXYEGTB-HZPDHXFCSA-N 2 2 290.382 2.346 10 0 CEAELP Fc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1)O2 ZINC000090893521 180055414 /nfs/dbraw/zinc/05/54/14/180055414.db2.gz HAASZLNSXYEGTB-HZPDHXFCSA-N 2 2 290.382 2.346 10 0 CEAELP CCC[N@H+](CC[NH2+]C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893491 180055542 /nfs/dbraw/zinc/05/55/42/180055542.db2.gz LQZBDCMWRDWZNH-AWEZNQCLSA-N 2 2 266.360 2.061 10 0 CEAELP CCC[N@@H+](CC[NH2+]C)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893491 180055544 /nfs/dbraw/zinc/05/55/44/180055544.db2.gz LQZBDCMWRDWZNH-AWEZNQCLSA-N 2 2 266.360 2.061 10 0 CEAELP [NH3+]CCc1nc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000090958799 180075735 /nfs/dbraw/zinc/07/57/35/180075735.db2.gz NHGPGXZKFQRCPV-SECBINFHSA-N 2 2 293.358 2.419 10 0 CEAELP [NH3+]CCc1nc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000090958799 180075738 /nfs/dbraw/zinc/07/57/38/180075738.db2.gz NHGPGXZKFQRCPV-SECBINFHSA-N 2 2 293.358 2.419 10 0 CEAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCCO1 ZINC000091362775 180141904 /nfs/dbraw/zinc/14/19/04/180141904.db2.gz SHIUCZRCVWQFQP-UGUYLWEFSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CCCO1 ZINC000091362775 180141905 /nfs/dbraw/zinc/14/19/05/180141905.db2.gz SHIUCZRCVWQFQP-UGUYLWEFSA-N 2 2 266.429 2.408 10 0 CEAELP [NH3+]C[C@@H](c1c[nH+]cn1C1CC1)N1CCc2sccc2C1 ZINC000091276165 180118515 /nfs/dbraw/zinc/11/85/15/180118515.db2.gz FZCXOKYJIVJUPS-ZDUSSCGKSA-N 2 2 288.420 2.338 10 0 CEAELP CC(C)N1C(=O)CCC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275597 180118596 /nfs/dbraw/zinc/11/85/96/180118596.db2.gz VSSMVMGRYIVVJY-WFASDCNBSA-N 2 2 276.384 2.007 10 0 CEAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091451472 180158558 /nfs/dbraw/zinc/15/85/58/180158558.db2.gz UBMNEJBWVUTZQB-WOICTCIZSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091451472 180158560 /nfs/dbraw/zinc/15/85/60/180158560.db2.gz UBMNEJBWVUTZQB-WOICTCIZSA-N 2 2 262.397 2.086 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)CN(C)Cc1[nH+]ccn1C ZINC000091404870 180147011 /nfs/dbraw/zinc/14/70/11/180147011.db2.gz QPBBWSCQNWIYKN-CYBMUJFWSA-N 2 2 266.433 2.266 10 0 CEAELP CCc1[nH+]ccn1-c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091422479 180151104 /nfs/dbraw/zinc/15/11/04/180151104.db2.gz GSMKRUJJGUDWLJ-UHFFFAOYSA-N 2 2 259.357 2.113 10 0 CEAELP CC(C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091563860 180192500 /nfs/dbraw/zinc/19/25/00/180192500.db2.gz POLBACSLTRLCSB-UHFFFAOYSA-N 2 2 261.369 2.040 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(C)(C)[NH+]1CCCCC1 ZINC000091565070 180193766 /nfs/dbraw/zinc/19/37/66/180193766.db2.gz UPUIZLWKTYJOKU-HNNXBMFYSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607205 180204206 /nfs/dbraw/zinc/20/42/06/180204206.db2.gz WUVKKVNXISOLNP-SJORKVTESA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](Cc1c[nH+]ccc1N)[C@](C)(CC)N1CCCC1 ZINC000091607205 180204207 /nfs/dbraw/zinc/20/42/07/180204207.db2.gz WUVKKVNXISOLNP-SJORKVTESA-N 2 2 290.455 2.449 10 0 CEAELP CCC(CC)n1ccc(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528388 180180091 /nfs/dbraw/zinc/18/00/91/180180091.db2.gz LFFOSRVONHTMIE-CQSZACIVSA-N 2 2 266.433 2.454 10 0 CEAELP C[NH2+][C@@H](Cc1ncc(C)c(OC)c1C)C(C)(C)[NH+](C)C ZINC000091528597 180180392 /nfs/dbraw/zinc/18/03/92/180180392.db2.gz PMDFXRVSSZODRW-AWEZNQCLSA-N 2 2 279.428 2.178 10 0 CEAELP Nc1cc[nH+]cc1[C@@H](N)C1([NH+]2CCCCC2)CCCC1 ZINC000091641892 180212993 /nfs/dbraw/zinc/21/29/93/180212993.db2.gz ZBVIGMWXIGBCFF-OAHLLOKOSA-N 2 2 274.412 2.462 10 0 CEAELP C[C@H]1CCC[C@](C(=O)Cc2cc[nH+]c(N)c2)([NH+](C)C)C1 ZINC000091649794 180216275 /nfs/dbraw/zinc/21/62/75/180216275.db2.gz SGUTYDHLLZCSJA-LRDDRELGSA-N 2 2 275.396 2.286 10 0 CEAELP CCc1ccccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662604 180219380 /nfs/dbraw/zinc/21/93/80/180219380.db2.gz GYWGJVHPKBHUHO-SJORKVTESA-N 2 2 274.408 2.202 10 0 CEAELP CCc1ccccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662604 180219384 /nfs/dbraw/zinc/21/93/84/180219384.db2.gz GYWGJVHPKBHUHO-SJORKVTESA-N 2 2 274.408 2.202 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1cc(C)cnc1N ZINC000091716430 180232029 /nfs/dbraw/zinc/23/20/29/180232029.db2.gz GPTJZJHSSIIQSL-AWEZNQCLSA-N 2 2 264.417 2.355 10 0 CEAELP CC[NH+](CC)CC[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000091715942 180232357 /nfs/dbraw/zinc/23/23/57/180232357.db2.gz AQRCVVUSDBBHBF-AWEZNQCLSA-N 2 2 266.385 2.436 10 0 CEAELP CCC[NH2+][C@H](Cc1cc(C)ccc1OC)C[NH+](C)C ZINC000091719879 180234429 /nfs/dbraw/zinc/23/44/29/180234429.db2.gz ILXGQBKJIBRJPS-OAHLLOKOSA-N 2 2 264.413 2.476 10 0 CEAELP CCOc1ccccc1[C@H]([NH2+]C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721396 180238978 /nfs/dbraw/zinc/23/89/78/180238978.db2.gz XOHPEXJUNGNECL-COXVUDFISA-N 2 2 290.407 2.209 10 0 CEAELP CCOc1ccccc1[C@H]([NH2+]C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721396 180238980 /nfs/dbraw/zinc/23/89/80/180238980.db2.gz XOHPEXJUNGNECL-COXVUDFISA-N 2 2 290.407 2.209 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)[C@@]1(C[NH3+])CCc2ccccc2C1 ZINC000091926158 180287675 /nfs/dbraw/zinc/28/76/75/180287675.db2.gz XKWZOHRIMCNPQC-SJORKVTESA-N 2 2 285.391 2.070 10 0 CEAELP CCn1c[nH+]cc1[C@@H](O)C1(C[NH3+])CCC(C)CC1 ZINC000091926290 180287792 /nfs/dbraw/zinc/28/77/92/180287792.db2.gz RZNHOZJIOKYPKO-HRDQMINSSA-N 2 2 251.374 2.092 10 0 CEAELP CCn1c[nH+]cc1[C@H](O)C1(C[NH3+])CCCCCC1 ZINC000091926267 180287394 /nfs/dbraw/zinc/28/73/94/180287394.db2.gz NLLYEBSTPCFJJY-ZDUSSCGKSA-N 2 2 251.374 2.236 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052189 180313510 /nfs/dbraw/zinc/31/35/10/180313510.db2.gz YYSYAQIAARZEMA-HNNXBMFYSA-N 2 2 254.418 2.267 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC000092052189 180313511 /nfs/dbraw/zinc/31/35/11/180313511.db2.gz YYSYAQIAARZEMA-HNNXBMFYSA-N 2 2 254.418 2.267 10 0 CEAELP C[NH2+]C[C@H](C)C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000092132969 180330453 /nfs/dbraw/zinc/33/04/53/180330453.db2.gz WAUVIWGXARKJNY-JTQLQIEISA-N 2 2 292.770 2.320 10 0 CEAELP COC(=O)[C@](C)(CCC[NH+]1C[C@H](C)[C@@H](C)C1)[NH2+]C(C)C ZINC000092087581 180321213 /nfs/dbraw/zinc/32/12/13/180321213.db2.gz SNNKTLXWCRLUGN-DZKIICNBSA-N 2 2 284.444 2.284 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1COc2ccccc21 ZINC000092306328 180360071 /nfs/dbraw/zinc/36/00/71/180360071.db2.gz MOIAXUDKQUKWGG-STQMWFEESA-N 2 2 271.364 2.339 10 0 CEAELP c1ccc2c(c1)OC[C@H]2C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307403 180360257 /nfs/dbraw/zinc/36/02/57/180360257.db2.gz OYUKBJORPBVREE-ZBFHGGJFSA-N 2 2 272.392 2.237 10 0 CEAELP c1ccc2c(c1)OC[C@H]2C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092307403 180360258 /nfs/dbraw/zinc/36/02/58/180360258.db2.gz OYUKBJORPBVREE-ZBFHGGJFSA-N 2 2 272.392 2.237 10 0 CEAELP CC[N@H+](C)CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244055 180352467 /nfs/dbraw/zinc/35/24/67/180352467.db2.gz FEGIMEQXLYEVBZ-CYBMUJFWSA-N 2 2 250.411 2.245 10 0 CEAELP CC[N@@H+](C)CC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092244055 180352469 /nfs/dbraw/zinc/35/24/69/180352469.db2.gz FEGIMEQXLYEVBZ-CYBMUJFWSA-N 2 2 250.411 2.245 10 0 CEAELP C[N@H+](C[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267797 180355969 /nfs/dbraw/zinc/35/59/69/180355969.db2.gz OKJSXVYFANSQEP-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP C[N@@H+](C[C@@H]1Cc2ccccc2S1)[C@@H]1CCC[NH2+]C1 ZINC000092267797 180355970 /nfs/dbraw/zinc/35/59/70/180355970.db2.gz OKJSXVYFANSQEP-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300134 180358672 /nfs/dbraw/zinc/35/86/72/180358672.db2.gz BMWACHBOSAGTOI-UKRRQHHQSA-N 2 2 262.397 2.338 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@@H]1COc2ccccc21 ZINC000092302566 180359279 /nfs/dbraw/zinc/35/92/79/180359279.db2.gz GKMCLSWCEMVSFT-CQSZACIVSA-N 2 2 262.397 2.483 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@@H]1COc2ccccc21 ZINC000092302566 180359281 /nfs/dbraw/zinc/35/92/81/180359281.db2.gz GKMCLSWCEMVSFT-CQSZACIVSA-N 2 2 262.397 2.483 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000092339881 180365091 /nfs/dbraw/zinc/36/50/91/180365091.db2.gz JVFGSBPGMGZRLQ-ZDUSSCGKSA-N 2 2 251.374 2.113 10 0 CEAELP CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000092339881 180365092 /nfs/dbraw/zinc/36/50/92/180365092.db2.gz JVFGSBPGMGZRLQ-ZDUSSCGKSA-N 2 2 251.374 2.113 10 0 CEAELP Cc1cc2[nH+]cn(Cc3cccc(NN)[nH+]3)c2cc1C ZINC000092370822 180370242 /nfs/dbraw/zinc/37/02/42/180370242.db2.gz DQNYCVUQRKDFKC-UHFFFAOYSA-N 2 2 267.336 2.382 10 0 CEAELP CCN(Cc1cn2cccc(C)c2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000110944493 186335646 /nfs/dbraw/zinc/33/56/46/186335646.db2.gz IQRDCAHFLLHCSN-HNNXBMFYSA-N 2 2 272.396 2.217 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110751549 186321828 /nfs/dbraw/zinc/32/18/28/186321828.db2.gz XZYRGCWWRJOBLO-AWEZNQCLSA-N 2 2 279.428 2.161 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000110751549 186321829 /nfs/dbraw/zinc/32/18/29/186321829.db2.gz XZYRGCWWRJOBLO-AWEZNQCLSA-N 2 2 279.428 2.161 10 0 CEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111157633 186362740 /nfs/dbraw/zinc/36/27/40/186362740.db2.gz COQMCGRJGMAFIR-KKUMJFAQSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111157633 186362742 /nfs/dbraw/zinc/36/27/42/186362742.db2.gz COQMCGRJGMAFIR-KKUMJFAQSA-N 2 2 254.418 2.252 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117354 186354919 /nfs/dbraw/zinc/35/49/19/186354919.db2.gz ZSUJOOVQIXLGQB-OAHLLOKOSA-N 2 2 268.376 2.492 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000111117354 186354920 /nfs/dbraw/zinc/35/49/20/186354920.db2.gz ZSUJOOVQIXLGQB-OAHLLOKOSA-N 2 2 268.376 2.492 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154646 186360123 /nfs/dbraw/zinc/36/01/23/186360123.db2.gz ZGYDEEDUDOMXNM-SGMGOOAPSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154646 186360125 /nfs/dbraw/zinc/36/01/25/186360125.db2.gz ZGYDEEDUDOMXNM-SGMGOOAPSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H](c1cccs1)[N@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320947 186397693 /nfs/dbraw/zinc/39/76/93/186397693.db2.gz VYAFFVAYBGWDSK-UPJWGTAASA-N 2 2 268.426 2.495 10 0 CEAELP C[C@H](c1cccs1)[N@@H+](C)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320947 186397696 /nfs/dbraw/zinc/39/76/96/186397696.db2.gz VYAFFVAYBGWDSK-UPJWGTAASA-N 2 2 268.426 2.495 10 0 CEAELP C[N@H+](Cc1ccccn1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325498 186398890 /nfs/dbraw/zinc/39/88/90/186398890.db2.gz ORTBTJMZZPQOBH-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1ccccn1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325498 186398892 /nfs/dbraw/zinc/39/88/92/186398892.db2.gz ORTBTJMZZPQOBH-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000070141792 363035062 /nfs/dbraw/zinc/03/50/62/363035062.db2.gz PQJLWXFAMHIQTN-AWEZNQCLSA-N 2 2 278.396 2.325 10 0 CEAELP COc1cc(C)c(C[N@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000070141792 363035064 /nfs/dbraw/zinc/03/50/64/363035064.db2.gz PQJLWXFAMHIQTN-AWEZNQCLSA-N 2 2 278.396 2.325 10 0 CEAELP CC(C)c1nc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)no1 ZINC000122624818 187041760 /nfs/dbraw/zinc/04/17/60/187041760.db2.gz DWLKMSPGIZQQTF-GFCCVEGCSA-N 2 2 275.356 2.227 10 0 CEAELP CC(C)c1nc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)no1 ZINC000122624818 187041761 /nfs/dbraw/zinc/04/17/61/187041761.db2.gz DWLKMSPGIZQQTF-GFCCVEGCSA-N 2 2 275.356 2.227 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314755 540350873 /nfs/dbraw/zinc/35/08/73/540350873.db2.gz GMPWOZIVXYUUER-INIZCTEOSA-N 2 2 255.365 2.419 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1 ZINC000389314755 540350876 /nfs/dbraw/zinc/35/08/76/540350876.db2.gz GMPWOZIVXYUUER-INIZCTEOSA-N 2 2 255.365 2.419 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncc(Cl)n1C ZINC000178309316 189104350 /nfs/dbraw/zinc/10/43/50/189104350.db2.gz SJRATIYLMOELBN-LBPRGKRZSA-N 2 2 293.802 2.243 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncc(Cl)n1C ZINC000178309316 189104351 /nfs/dbraw/zinc/10/43/51/189104351.db2.gz SJRATIYLMOELBN-LBPRGKRZSA-N 2 2 293.802 2.243 10 0 CEAELP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000182100644 189314018 /nfs/dbraw/zinc/31/40/18/189314018.db2.gz PGQFHVYIGAOTAD-QMTHXVAHSA-N 2 2 293.411 2.039 10 0 CEAELP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119288030 365248759 /nfs/dbraw/zinc/24/87/59/365248759.db2.gz WCALIYAFFLMKNT-KBPBESRZSA-N 2 2 293.411 2.424 10 0 CEAELP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119288030 365248765 /nfs/dbraw/zinc/24/87/65/365248765.db2.gz WCALIYAFFLMKNT-KBPBESRZSA-N 2 2 293.411 2.424 10 0 CEAELP C[C@@H]1C[N@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000631839344 367580647 /nfs/dbraw/zinc/58/06/47/367580647.db2.gz DYTIQBWAVHEQAK-NEPJUHHUSA-N 2 2 288.420 2.232 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@@H]1C[NH3+] ZINC000631839344 367580651 /nfs/dbraw/zinc/58/06/51/367580651.db2.gz DYTIQBWAVHEQAK-NEPJUHHUSA-N 2 2 288.420 2.232 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000631839345 367580674 /nfs/dbraw/zinc/58/06/74/367580674.db2.gz DYTIQBWAVHEQAK-NWDGAFQWSA-N 2 2 288.420 2.232 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(-c3ccccn3)n2)C[C@H]1C[NH3+] ZINC000631839345 367580678 /nfs/dbraw/zinc/58/06/78/367580678.db2.gz DYTIQBWAVHEQAK-NWDGAFQWSA-N 2 2 288.420 2.232 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000187238826 369126741 /nfs/dbraw/zinc/12/67/41/369126741.db2.gz DQLDDAHMVPQZLN-KGLIPLIRSA-N 2 2 265.401 2.365 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000187238826 369126746 /nfs/dbraw/zinc/12/67/46/369126746.db2.gz DQLDDAHMVPQZLN-KGLIPLIRSA-N 2 2 265.401 2.365 10 0 CEAELP C=Cn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000194043085 370001755 /nfs/dbraw/zinc/00/17/55/370001755.db2.gz XBKGMNFZBTVURC-HNNXBMFYSA-N 2 2 271.368 2.153 10 0 CEAELP C=Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000194043085 370001758 /nfs/dbraw/zinc/00/17/58/370001758.db2.gz XBKGMNFZBTVURC-HNNXBMFYSA-N 2 2 271.368 2.153 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000246896311 371026855 /nfs/dbraw/zinc/02/68/55/371026855.db2.gz HFUDOWSZBQZRTG-GJZGRUSLSA-N 2 2 298.390 2.033 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000246896311 371026863 /nfs/dbraw/zinc/02/68/63/371026863.db2.gz HFUDOWSZBQZRTG-GJZGRUSLSA-N 2 2 298.390 2.033 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000246896275 371027011 /nfs/dbraw/zinc/02/70/11/371027011.db2.gz HFUDOWSZBQZRTG-CABCVRRESA-N 2 2 298.390 2.033 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000246896275 371027020 /nfs/dbraw/zinc/02/70/20/371027020.db2.gz HFUDOWSZBQZRTG-CABCVRRESA-N 2 2 298.390 2.033 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@](C)(O)CC)C1 ZINC000249117465 371296750 /nfs/dbraw/zinc/29/67/50/371296750.db2.gz ONXNSFXNJVEDGE-ZFWWWQNUSA-N 2 2 265.401 2.243 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000249117465 371296752 /nfs/dbraw/zinc/29/67/52/371296752.db2.gz ONXNSFXNJVEDGE-ZFWWWQNUSA-N 2 2 265.401 2.243 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252697888 371469396 /nfs/dbraw/zinc/46/93/96/371469396.db2.gz JZCSGQMTGPOREW-UKRRQHHQSA-N 2 2 262.397 2.397 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc(O)cc2)C1 ZINC000252697888 371469399 /nfs/dbraw/zinc/46/93/99/371469399.db2.gz JZCSGQMTGPOREW-UKRRQHHQSA-N 2 2 262.397 2.397 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252716370 371473115 /nfs/dbraw/zinc/47/31/15/371473115.db2.gz YHAVQLFBQVKALF-RRFJBIMHSA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252716370 371473122 /nfs/dbraw/zinc/47/31/22/371473122.db2.gz YHAVQLFBQVKALF-RRFJBIMHSA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)c1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261587403 371665476 /nfs/dbraw/zinc/66/54/76/371665476.db2.gz VANRQSQQQDPKAT-UHTWSYAYSA-N 2 2 265.426 2.436 10 0 CEAELP CC(C)c1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cs1 ZINC000261587403 371665480 /nfs/dbraw/zinc/66/54/80/371665480.db2.gz VANRQSQQQDPKAT-UHTWSYAYSA-N 2 2 265.426 2.436 10 0 CEAELP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261998004 371794553 /nfs/dbraw/zinc/79/45/53/371794553.db2.gz TTYIPUUNDVBZMK-SECBINFHSA-N 2 2 290.333 2.345 10 0 CEAELP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000261998004 371794559 /nfs/dbraw/zinc/79/45/59/371794559.db2.gz TTYIPUUNDVBZMK-SECBINFHSA-N 2 2 290.333 2.345 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089369 371821577 /nfs/dbraw/zinc/82/15/77/371821577.db2.gz UROOZXNVSBRPEW-YOEHRIQHSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089369 371821581 /nfs/dbraw/zinc/82/15/81/371821581.db2.gz UROOZXNVSBRPEW-YOEHRIQHSA-N 2 2 297.402 2.440 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCCC3(C2)CCCCCC3)no1 ZINC000262243705 371842092 /nfs/dbraw/zinc/84/20/92/371842092.db2.gz PGVPGEKDZGHWTG-UHFFFAOYSA-N 2 2 278.400 2.465 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCCC3(C2)CCCCCC3)no1 ZINC000262243705 371842095 /nfs/dbraw/zinc/84/20/95/371842095.db2.gz PGVPGEKDZGHWTG-UHFFFAOYSA-N 2 2 278.400 2.465 10 0 CEAELP CCc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000272808013 373665643 /nfs/dbraw/zinc/66/56/43/373665643.db2.gz BYBDUJMEOOYXOI-CQSZACIVSA-N 2 2 271.368 2.213 10 0 CEAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]c(C)c2)nc[nH+]1 ZINC000274335553 373885308 /nfs/dbraw/zinc/88/53/08/373885308.db2.gz GYBGCMLKWXGGNN-AWEZNQCLSA-N 2 2 298.394 2.303 10 0 CEAELP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]c(C)c2)[nH+]cn1 ZINC000274335553 373885322 /nfs/dbraw/zinc/88/53/22/373885322.db2.gz GYBGCMLKWXGGNN-AWEZNQCLSA-N 2 2 298.394 2.303 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475875 375304472 /nfs/dbraw/zinc/30/44/72/375304472.db2.gz WFDFJXPMEJGAID-ZFWWWQNUSA-N 2 2 275.396 2.088 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000389475875 375304477 /nfs/dbraw/zinc/30/44/77/375304477.db2.gz WFDFJXPMEJGAID-ZFWWWQNUSA-N 2 2 275.396 2.088 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313279219 249391030 /nfs/dbraw/zinc/39/10/30/249391030.db2.gz CCLFFOVMCBQKKQ-GFCCVEGCSA-N 2 2 259.353 2.322 10 0 CEAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2cccc3cccnc32)C1 ZINC000094547656 184815609 /nfs/dbraw/zinc/81/56/09/184815609.db2.gz AWNKRLJAYBYSBZ-IUODEOHRSA-N 2 2 255.365 2.404 10 0 CEAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2cccc3cccnc32)C1 ZINC000094547656 184815610 /nfs/dbraw/zinc/81/56/10/184815610.db2.gz AWNKRLJAYBYSBZ-IUODEOHRSA-N 2 2 255.365 2.404 10 0 CEAELP C[C@H]1Cc2ccccc2N([C@@H](C[NH3+])c2c[nH+]cn2C)C1 ZINC000090167974 135062105 /nfs/dbraw/zinc/06/21/05/135062105.db2.gz NULNSZLIYDGQSU-WFASDCNBSA-N 2 2 270.380 2.119 10 0 CEAELP Cc1cccc(N2CC[NH+]([C@@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000090695437 135064157 /nfs/dbraw/zinc/06/41/57/135064157.db2.gz FATJMEXDKRIEKW-NVXWUHKLSA-N 2 2 273.424 2.115 10 0 CEAELP Nc1ccc[nH+]c1N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000094272732 135086137 /nfs/dbraw/zinc/08/61/37/135086137.db2.gz JQHKLXBATZKWFX-UHFFFAOYSA-N 2 2 289.770 2.039 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000396558093 395216557 /nfs/dbraw/zinc/21/65/57/395216557.db2.gz IYQSUBPSDRWYSB-OBJOEFQTSA-N 2 2 278.396 2.495 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000191804991 153187778 /nfs/dbraw/zinc/18/77/78/153187778.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 3 2 278.444 2.388 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000191804991 153187782 /nfs/dbraw/zinc/18/77/82/153187782.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 3 2 278.444 2.388 10 0 CEAELP C[NH+](C)[C@H](C[NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000020400058 171181370 /nfs/dbraw/zinc/18/13/70/171181370.db2.gz JUXDCAJHFZSHAC-CYBMUJFWSA-N 2 2 250.386 2.252 10 0 CEAELP Cc1[nH+]ccn1-c1ccc(N)c(-n2cc[nH+]c2C)c1 ZINC000021987626 171345501 /nfs/dbraw/zinc/34/55/01/171345501.db2.gz GJEJSBBHYCFZBN-UHFFFAOYSA-N 2 2 253.309 2.257 10 0 CEAELP C[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000022564215 171391721 /nfs/dbraw/zinc/39/17/21/171391721.db2.gz WOSVJVMUSCSYKX-ZOBORPQBSA-N 2 2 254.418 2.249 10 0 CEAELP C[C@@H]1C[N@H+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CCO1 ZINC000022564215 171391722 /nfs/dbraw/zinc/39/17/22/171391722.db2.gz WOSVJVMUSCSYKX-ZOBORPQBSA-N 2 2 254.418 2.249 10 0 CEAELP CSCC[C@@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000037472124 173227404 /nfs/dbraw/zinc/22/74/04/173227404.db2.gz HWAZXBUMRMBSAZ-NSHDSACASA-N 2 2 256.440 2.187 10 0 CEAELP CSCC[C@@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000037472124 173227406 /nfs/dbraw/zinc/22/74/06/173227406.db2.gz HWAZXBUMRMBSAZ-NSHDSACASA-N 2 2 256.440 2.187 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098048 174112837 /nfs/dbraw/zinc/11/28/37/174112837.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000038098048 174112838 /nfs/dbraw/zinc/11/28/38/174112838.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000040621870 174354926 /nfs/dbraw/zinc/35/49/26/174354926.db2.gz SPKPZKKMUKHOBO-SWLSCSKDSA-N 2 2 276.380 2.146 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000040621870 174354928 /nfs/dbraw/zinc/35/49/28/174354928.db2.gz SPKPZKKMUKHOBO-SWLSCSKDSA-N 2 2 276.380 2.146 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000040638879 174363170 /nfs/dbraw/zinc/36/31/70/174363170.db2.gz GMKIMTJTCZTQCE-CYBMUJFWSA-N 2 2 257.337 2.076 10 0 CEAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717126 174384515 /nfs/dbraw/zinc/38/45/15/174384515.db2.gz OMIRXWRNEZQJKC-OCCSQVGLSA-N 2 2 276.380 2.190 10 0 CEAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717126 174384517 /nfs/dbraw/zinc/38/45/17/174384517.db2.gz OMIRXWRNEZQJKC-OCCSQVGLSA-N 2 2 276.380 2.190 10 0 CEAELP CCc1cccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750064 174395200 /nfs/dbraw/zinc/39/52/00/174395200.db2.gz KLFJHFGTEYVYNP-VHRNVKJDSA-N 2 2 287.407 2.142 10 0 CEAELP CCc1cccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750064 174395202 /nfs/dbraw/zinc/39/52/02/174395202.db2.gz KLFJHFGTEYVYNP-VHRNVKJDSA-N 2 2 287.407 2.142 10 0 CEAELP CCC[N@H+](CCO)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253312 174994177 /nfs/dbraw/zinc/99/41/77/174994177.db2.gz MZFWKSIMAFXQOK-SKDRFNHKSA-N 2 2 276.833 2.494 10 0 CEAELP CCC[N@@H+](CCO)[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043253312 174994178 /nfs/dbraw/zinc/99/41/78/174994178.db2.gz MZFWKSIMAFXQOK-SKDRFNHKSA-N 2 2 276.833 2.494 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043334494 175010357 /nfs/dbraw/zinc/01/03/57/175010357.db2.gz GPIGYUFCTOYIMO-NFAWXSAZSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCCC[C@@H]1CCO ZINC000043334494 175010358 /nfs/dbraw/zinc/01/03/58/175010358.db2.gz GPIGYUFCTOYIMO-NFAWXSAZSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCCO)C(C)C ZINC000043336112 175011890 /nfs/dbraw/zinc/01/18/90/175011890.db2.gz RTISPVHELKDXFI-OCCSQVGLSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCCO)C(C)C ZINC000043336112 175011891 /nfs/dbraw/zinc/01/18/91/175011891.db2.gz RTISPVHELKDXFI-OCCSQVGLSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043340475 175014534 /nfs/dbraw/zinc/01/45/34/175014534.db2.gz WUMUFOVNZHYITF-DOTOQJQBSA-N 3 2 290.455 2.134 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348314 175018410 /nfs/dbraw/zinc/01/84/10/175018410.db2.gz MCRYEQSIWNHFHP-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348314 175018412 /nfs/dbraw/zinc/01/84/12/175018412.db2.gz MCRYEQSIWNHFHP-XJKSGUPXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043353368 175021071 /nfs/dbraw/zinc/02/10/71/175021071.db2.gz OFTGXNZPFPXGCQ-MGPQQGTHSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043353368 175021072 /nfs/dbraw/zinc/02/10/72/175021072.db2.gz OFTGXNZPFPXGCQ-MGPQQGTHSA-N 2 2 265.426 2.297 10 0 CEAELP COC1CC[NH+]([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364100 175024761 /nfs/dbraw/zinc/02/47/61/175024761.db2.gz KXOIUGQGILYZPV-SMDDNHRTSA-N 2 2 252.358 2.087 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)[C@@H](C)COC ZINC000043364900 175025523 /nfs/dbraw/zinc/02/55/23/175025523.db2.gz CFUHNERCZLZHKN-JKOKRWQUSA-N 2 2 254.374 2.333 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)[C@@H](C)COC ZINC000043364900 175025525 /nfs/dbraw/zinc/02/55/25/175025525.db2.gz CFUHNERCZLZHKN-JKOKRWQUSA-N 2 2 254.374 2.333 10 0 CEAELP CCC[NH+](CCC)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043814806 175111759 /nfs/dbraw/zinc/11/17/59/175111759.db2.gz BKFNAWOKNINSOG-GJZGRUSLSA-N 2 2 284.444 2.382 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](C)C1CCOCC1 ZINC000043898145 175121528 /nfs/dbraw/zinc/12/15/28/175121528.db2.gz ZBZIASGUDIVLPC-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](C)C1CCOCC1 ZINC000043898145 175121529 /nfs/dbraw/zinc/12/15/29/175121529.db2.gz ZBZIASGUDIVLPC-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[NH+](CCOC)CCOC ZINC000043912881 175124094 /nfs/dbraw/zinc/12/40/94/175124094.db2.gz FTYPEMFICHGHLH-JYJNAYRXSA-N 2 2 286.460 2.138 10 0 CEAELP C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@H+](C)CCOC ZINC000043915365 175124399 /nfs/dbraw/zinc/12/43/99/175124399.db2.gz YILKSEIMRJYWMF-IKGGRYGDSA-N 2 2 276.424 2.489 10 0 CEAELP C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1[N@@H+](C)CCOC ZINC000043915365 175124401 /nfs/dbraw/zinc/12/44/01/175124401.db2.gz YILKSEIMRJYWMF-IKGGRYGDSA-N 2 2 276.424 2.489 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043916962 175125744 /nfs/dbraw/zinc/12/57/44/175125744.db2.gz IOAFOMBJAMQEEH-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043916962 175125746 /nfs/dbraw/zinc/12/57/46/175125746.db2.gz IOAFOMBJAMQEEH-ZIAGYGMSSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966680 175127913 /nfs/dbraw/zinc/12/79/13/175127913.db2.gz YNTHSNNBFWCVER-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966680 175127914 /nfs/dbraw/zinc/12/79/14/175127914.db2.gz YNTHSNNBFWCVER-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CO[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045106356 175308391 /nfs/dbraw/zinc/30/83/91/175308391.db2.gz VMSRVJJTIHFZTH-KGLIPLIRSA-N 2 2 251.374 2.211 10 0 CEAELP CCn1nc(C)c(-c2c[nH]c(CC3CC[NH2+]CC3)[nH+]2)c1C ZINC000045169596 175320309 /nfs/dbraw/zinc/32/03/09/175320309.db2.gz MXEJVQWKYVVFGV-UHFFFAOYSA-N 2 2 287.411 2.452 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367936 175363281 /nfs/dbraw/zinc/36/32/81/175363281.db2.gz NPLVBHHOHWIUQY-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[NH2+][C@@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367936 175363282 /nfs/dbraw/zinc/36/32/82/175363282.db2.gz NPLVBHHOHWIUQY-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2[nH+]ccn2C)C1 ZINC000071124733 176035286 /nfs/dbraw/zinc/03/52/86/176035286.db2.gz MCDBDWXFDMCGKW-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191383 176069886 /nfs/dbraw/zinc/06/98/86/176069886.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191383 176069888 /nfs/dbraw/zinc/06/98/88/176069888.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191383 176069889 /nfs/dbraw/zinc/06/98/89/176069889.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191383 176069891 /nfs/dbraw/zinc/06/98/91/176069891.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 3 2 281.488 2.428 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191933 176072792 /nfs/dbraw/zinc/07/27/92/176072792.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191933 176072793 /nfs/dbraw/zinc/07/27/93/176072793.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191933 176072795 /nfs/dbraw/zinc/07/27/95/176072795.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1ccoc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191933 176072796 /nfs/dbraw/zinc/07/27/96/176072796.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000071198077 176076478 /nfs/dbraw/zinc/07/64/78/176076478.db2.gz WXDCZKBZBJWKNW-OAHLLOKOSA-N 2 2 290.407 2.074 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000071198077 176076480 /nfs/dbraw/zinc/07/64/80/176076480.db2.gz WXDCZKBZBJWKNW-OAHLLOKOSA-N 2 2 290.407 2.074 10 0 CEAELP CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071313666 176120239 /nfs/dbraw/zinc/12/02/39/176120239.db2.gz FRXCNRREJQUUHG-CQSZACIVSA-N 2 2 278.396 2.196 10 0 CEAELP CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CC[NH2+]C1 ZINC000071313666 176120240 /nfs/dbraw/zinc/12/02/40/176120240.db2.gz FRXCNRREJQUUHG-CQSZACIVSA-N 2 2 278.396 2.196 10 0 CEAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261910068 298142804 /nfs/dbraw/zinc/14/28/04/298142804.db2.gz XMRZZEJTNKBDLW-HXSCFSKGSA-N 2 2 295.471 2.129 10 0 CEAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261910068 298142807 /nfs/dbraw/zinc/14/28/07/298142807.db2.gz XMRZZEJTNKBDLW-HXSCFSKGSA-N 2 2 295.471 2.129 10 0 CEAELP CCC[NH2+]C[C@H](C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515156 519929276 /nfs/dbraw/zinc/92/92/76/519929276.db2.gz YXDLHZUBIPIZLB-MRXNPFEDSA-N 3 2 269.477 2.284 10 0 CEAELP CC(C)C[NH+](CC[NH2+]C1CCOCC1)CC(C)C ZINC000062767754 519717340 /nfs/dbraw/zinc/71/73/40/519717340.db2.gz FVHAIZACHDXBJY-UHFFFAOYSA-N 2 2 256.434 2.369 10 0 CEAELP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccs1 ZINC000068802624 519799139 /nfs/dbraw/zinc/79/91/39/519799139.db2.gz BNADLJDSOZRPGB-DZGCQCFKSA-N 2 2 281.469 2.281 10 0 CEAELP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccs1 ZINC000068802624 519799140 /nfs/dbraw/zinc/79/91/40/519799140.db2.gz BNADLJDSOZRPGB-DZGCQCFKSA-N 2 2 281.469 2.281 10 0 CEAELP CCC[NH2+]C1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000049533890 519906723 /nfs/dbraw/zinc/90/67/23/519906723.db2.gz SAUUJTOHZZLZFV-UHFFFAOYSA-N 2 2 253.415 2.416 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnc(C)cn1 ZINC000061322755 519910194 /nfs/dbraw/zinc/91/01/94/519910194.db2.gz KLJVWRRTKIOGBC-VHRNVKJDSA-N 2 2 274.412 2.280 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnc(C)cn1 ZINC000061322755 519910195 /nfs/dbraw/zinc/91/01/95/519910195.db2.gz KLJVWRRTKIOGBC-VHRNVKJDSA-N 2 2 274.412 2.280 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000061232858 519939174 /nfs/dbraw/zinc/93/91/74/519939174.db2.gz LIWYXHYQAIQHBQ-LLVKDONJSA-N 2 2 272.352 2.261 10 0 CEAELP CC[NH2+]Cc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000052477602 520004846 /nfs/dbraw/zinc/00/48/46/520004846.db2.gz JZOMIEZIGKISCW-UHFFFAOYSA-N 3 2 275.440 2.322 10 0 CEAELP CC[NH2+]Cc1ccccc1C[NH+]1CCN(C(C)C)CC1 ZINC000052480147 520005905 /nfs/dbraw/zinc/00/59/05/520005905.db2.gz IDCYQCALXJXKDA-UHFFFAOYSA-N 2 2 275.440 2.322 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@H](C)n1cc[nH+]c1C)C(=O)OCC ZINC000068648829 520047869 /nfs/dbraw/zinc/04/78/69/520047869.db2.gz JTHXQPOYCJFWSE-WFASDCNBSA-N 2 2 281.400 2.464 10 0 CEAELP CCO[C@@H](C[NH3+])CC[N@H+](C)c1ccc(C)cc1C ZINC000062741221 520308023 /nfs/dbraw/zinc/30/80/23/520308023.db2.gz BOAAFFGTYQDGJV-CQSZACIVSA-N 2 2 250.386 2.494 10 0 CEAELP CCO[C@@H](C[NH3+])CC[N@@H+](C)c1ccc(C)cc1C ZINC000062741221 520308028 /nfs/dbraw/zinc/30/80/28/520308028.db2.gz BOAAFFGTYQDGJV-CQSZACIVSA-N 2 2 250.386 2.494 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccc(Cl)s1 ZINC000062739700 520309710 /nfs/dbraw/zinc/30/97/10/520309710.db2.gz ISPIVTLEAPVFLV-VIFPVBQESA-N 2 2 262.806 2.197 10 0 CEAELP CCO[C@@H](C[NH3+])C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000062739700 520309719 /nfs/dbraw/zinc/30/97/19/520309719.db2.gz ISPIVTLEAPVFLV-VIFPVBQESA-N 2 2 262.806 2.197 10 0 CEAELP CC[N@H+](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000062767646 521075547 /nfs/dbraw/zinc/07/55/47/521075547.db2.gz NLXSKYSTBDVJQB-UHFFFAOYSA-N 2 2 262.397 2.277 10 0 CEAELP CC[N@@H+](CC[NH2+]C1CCOCC1)Cc1ccccc1 ZINC000062767646 521075555 /nfs/dbraw/zinc/07/55/55/521075555.db2.gz NLXSKYSTBDVJQB-UHFFFAOYSA-N 2 2 262.397 2.277 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543977 521562415 /nfs/dbraw/zinc/56/24/15/521562415.db2.gz CIJCTLQKACPSQH-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543977 521562417 /nfs/dbraw/zinc/56/24/17/521562417.db2.gz CIJCTLQKACPSQH-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CCC(CC)[C@H](CNCc1c[nH+]c(C)[nH]1)[NH+](C)C ZINC000054821550 521617935 /nfs/dbraw/zinc/61/79/35/521617935.db2.gz IMUYMCGGWBYECJ-AWEZNQCLSA-N 2 2 252.406 2.174 10 0 CEAELP CCC(CC)[C@H](CNCc1c[nH]c(C)[nH+]1)[NH+](C)C ZINC000054821550 521617941 /nfs/dbraw/zinc/61/79/41/521617941.db2.gz IMUYMCGGWBYECJ-AWEZNQCLSA-N 2 2 252.406 2.174 10 0 CEAELP CCC[N@H+](CCCC(=O)NC)C1(C[NH3+])CCC(C)CC1 ZINC000068817238 521651311 /nfs/dbraw/zinc/65/13/11/521651311.db2.gz XZFCSUOPWKIYQH-UHFFFAOYSA-N 2 2 283.460 2.132 10 0 CEAELP CCC[N@@H+](CCCC(=O)NC)C1(C[NH3+])CCC(C)CC1 ZINC000068817238 521651314 /nfs/dbraw/zinc/65/13/14/521651314.db2.gz XZFCSUOPWKIYQH-UHFFFAOYSA-N 2 2 283.460 2.132 10 0 CEAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C1CCOCC1 ZINC000062808247 522502073 /nfs/dbraw/zinc/50/20/73/522502073.db2.gz NKBVUSOFLPOKCJ-UHFFFAOYSA-N 2 2 273.380 2.367 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[C@](C)([NH2+]C)C(N)=O ZINC000068650213 522505032 /nfs/dbraw/zinc/50/50/32/522505032.db2.gz RRFKXJGTTPNYAL-ZBEGNZNMSA-N 2 2 288.395 2.013 10 0 CEAELP C[N@H+](Cc1cc(C[NH3+])no1)Cc1ccc(Cl)cc1 ZINC000052346358 523172250 /nfs/dbraw/zinc/17/22/50/523172250.db2.gz LCXQEXFQLPSCQJ-UHFFFAOYSA-N 2 2 265.744 2.419 10 0 CEAELP C[N@@H+](Cc1cc(C[NH3+])no1)Cc1ccc(Cl)cc1 ZINC000052346358 523172254 /nfs/dbraw/zinc/17/22/54/523172254.db2.gz LCXQEXFQLPSCQJ-UHFFFAOYSA-N 2 2 265.744 2.419 10 0 CEAELP C[N@H+](Cc1ccccn1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181770 523395440 /nfs/dbraw/zinc/39/54/40/523395440.db2.gz IUNCPRUHLPKDOC-UHFFFAOYSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1ccccn1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181770 523395442 /nfs/dbraw/zinc/39/54/42/523395442.db2.gz IUNCPRUHLPKDOC-UHFFFAOYSA-N 2 2 289.423 2.062 10 0 CEAELP COCC[N@H+](C)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000061377967 523611580 /nfs/dbraw/zinc/61/15/80/523611580.db2.gz HWTHVONHZDXRDM-CQSZACIVSA-N 2 2 268.426 2.367 10 0 CEAELP COCC[N@@H+](C)CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000061377967 523611590 /nfs/dbraw/zinc/61/15/90/523611590.db2.gz HWTHVONHZDXRDM-CQSZACIVSA-N 2 2 268.426 2.367 10 0 CEAELP C[C@H](C[NH+]1CCCC1)n1c(N)[nH+]c2c1cccc2F ZINC000049185011 524321112 /nfs/dbraw/zinc/32/11/12/524321112.db2.gz RPWOINPONNOZLC-SNVBAGLBSA-N 2 2 262.332 2.414 10 0 CEAELP Cc1ccc(C[N@H+](C)[C@@]2(C[NH3+])CCCSC2)o1 ZINC000061590032 524400435 /nfs/dbraw/zinc/40/04/35/524400435.db2.gz GUOLPMCNWGKEAY-CYBMUJFWSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1ccc(C[N@@H+](C)[C@@]2(C[NH3+])CCCSC2)o1 ZINC000061590032 524400431 /nfs/dbraw/zinc/40/04/31/524400431.db2.gz GUOLPMCNWGKEAY-CYBMUJFWSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757154 524834571 /nfs/dbraw/zinc/83/45/71/524834571.db2.gz CZVVTHXHGVSXBZ-HZPDHXFCSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052757154 524834581 /nfs/dbraw/zinc/83/45/81/524834581.db2.gz CZVVTHXHGVSXBZ-HZPDHXFCSA-N 2 2 262.397 2.232 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258410 525405200 /nfs/dbraw/zinc/40/52/00/525405200.db2.gz ZTXDSNKSWCXJCD-JSGCOSHPSA-N 2 2 298.377 2.462 10 0 CEAELP COc1ccc2c(c1)[C@H]([NH2+][C@H](C)CC[NH+](C)C)CCO2 ZINC000049554313 525591621 /nfs/dbraw/zinc/59/16/21/525591621.db2.gz CDPGPAGYEWXLGT-IUODEOHRSA-N 2 2 278.396 2.449 10 0 CEAELP c1c(CN2CC[NH2+]CC23CCCC3)[nH+]c2ccccn12 ZINC000068696324 526397848 /nfs/dbraw/zinc/39/78/48/526397848.db2.gz GBXRIRFVVSUSBT-UHFFFAOYSA-N 2 2 270.380 2.052 10 0 CEAELP Cc1csc([C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170169 526443477 /nfs/dbraw/zinc/44/34/77/526443477.db2.gz BWMNBDCRXUXSDD-CYBMUJFWSA-N 2 2 292.408 2.112 10 0 CEAELP Cc1csc([C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)n1 ZINC000183170169 526443482 /nfs/dbraw/zinc/44/34/82/526443482.db2.gz BWMNBDCRXUXSDD-CYBMUJFWSA-N 2 2 292.408 2.112 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000096889344 185123854 /nfs/dbraw/zinc/12/38/54/185123854.db2.gz KGUPCEVGPWVSDD-LBPRGKRZSA-N 2 2 258.369 2.137 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000096889344 185123856 /nfs/dbraw/zinc/12/38/56/185123856.db2.gz KGUPCEVGPWVSDD-LBPRGKRZSA-N 2 2 258.369 2.137 10 0 CEAELP COc1ccc(-n2c[nH+]cc2C2C[NH2+]C2)cc1Cl ZINC000097009409 185151881 /nfs/dbraw/zinc/15/18/81/185151881.db2.gz XUHYIQIXLSYPHA-UHFFFAOYSA-N 2 2 263.728 2.221 10 0 CEAELP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000300046861 539268478 /nfs/dbraw/zinc/26/84/78/539268478.db2.gz ARAWXSSYAYHBMF-GXFFZTMASA-N 2 2 254.374 2.197 10 0 CEAELP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@H]1[NH3+] ZINC000300046861 539268479 /nfs/dbraw/zinc/26/84/79/539268479.db2.gz ARAWXSSYAYHBMF-GXFFZTMASA-N 2 2 254.374 2.197 10 0 CEAELP [NH3+]C[C@H]([NH3+])c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000044470574 362153618 /nfs/dbraw/zinc/15/36/18/362153618.db2.gz XOMPISFHVCAGSJ-ZETCQYMHSA-N 2 2 254.639 2.197 10 0 CEAELP CCc1ccc(N[N+]2=C(C)N(C)[C@H]([NH2+]C)C=C2)cc1 ZINC000223583198 344543316 /nfs/dbraw/zinc/54/33/16/344543316.db2.gz HEWYJRCSDQIOPK-HNNXBMFYSA-N 2 2 259.377 2.011 10 0 CEAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225874779 344547892 /nfs/dbraw/zinc/54/78/92/344547892.db2.gz IZMCMZQESIQXER-BZUAXINKSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[C@H]1CCCCO1 ZINC000225874779 344547893 /nfs/dbraw/zinc/54/78/93/344547893.db2.gz IZMCMZQESIQXER-BZUAXINKSA-N 2 2 260.381 2.015 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384561316 344828633 /nfs/dbraw/zinc/82/86/33/344828633.db2.gz KBFMIQZQIHRIQO-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384561316 344828634 /nfs/dbraw/zinc/82/86/34/344828634.db2.gz KBFMIQZQIHRIQO-QLFBSQMISA-N 2 2 254.418 2.002 10 0 CEAELP COCCCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178310672 232370198 /nfs/dbraw/zinc/37/01/98/232370198.db2.gz DGFSPZUXOJBWPJ-HNNXBMFYSA-N 2 2 265.401 2.473 10 0 CEAELP COCCCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178310672 232370200 /nfs/dbraw/zinc/37/02/00/232370200.db2.gz DGFSPZUXOJBWPJ-HNNXBMFYSA-N 2 2 265.401 2.473 10 0 CEAELP Cc1cc2[nH+]cn([C@H](C)C[C@](C)(O)C[NH3+])c2cc1C ZINC000085304588 179012155 /nfs/dbraw/zinc/01/21/55/179012155.db2.gz VGXGVIJDZQXBQB-DOMZBBRYSA-N 2 2 261.369 2.314 10 0 CEAELP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000085363090 179034713 /nfs/dbraw/zinc/03/47/13/179034713.db2.gz XTFDDPIOXFFDBQ-OLZOCXBDSA-N 2 2 270.336 2.143 10 0 CEAELP CCC[C@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466329 179071518 /nfs/dbraw/zinc/07/15/18/179071518.db2.gz GEIZAURSORMQPI-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085466329 179071520 /nfs/dbraw/zinc/07/15/20/179071520.db2.gz GEIZAURSORMQPI-GJZGRUSLSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000085468454 179073330 /nfs/dbraw/zinc/07/33/30/179073330.db2.gz BTDJIOAFBADXPR-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1C[C@@H](C(C)C)[NH2+]CC12CCCCC2 ZINC000085468454 179073332 /nfs/dbraw/zinc/07/33/32/179073332.db2.gz BTDJIOAFBADXPR-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085515057 179086341 /nfs/dbraw/zinc/08/63/41/179086341.db2.gz VPWSBOPGJWFZQH-HZPDHXFCSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@H+]1CCn1cccn1 ZINC000085515057 179086342 /nfs/dbraw/zinc/08/63/42/179086342.db2.gz VPWSBOPGJWFZQH-HZPDHXFCSA-N 2 2 276.428 2.126 10 0 CEAELP COCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085504171 179084484 /nfs/dbraw/zinc/08/44/84/179084484.db2.gz OLAAOAHHYZPTHF-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085504171 179084488 /nfs/dbraw/zinc/08/44/88/179084488.db2.gz OLAAOAHHYZPTHF-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573570 179099027 /nfs/dbraw/zinc/09/90/27/179099027.db2.gz LTHXSLULMPUEQM-VIFPVBQESA-N 2 2 299.300 2.005 10 0 CEAELP COCCOCC[N@@H+]1C[C@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621482 179106226 /nfs/dbraw/zinc/10/62/26/179106226.db2.gz DTTDUBTXVSZPDC-DOTOQJQBSA-N 2 2 292.423 2.075 10 0 CEAELP COCCOCC[N@H+]1C[C@H](c2ccccc2)[NH2+]CC[C@@H]1C ZINC000085621482 179106229 /nfs/dbraw/zinc/10/62/29/179106229.db2.gz DTTDUBTXVSZPDC-DOTOQJQBSA-N 2 2 292.423 2.075 10 0 CEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085674138 179111910 /nfs/dbraw/zinc/11/19/10/179111910.db2.gz MCZASCKCECBAPO-XUXIUFHCSA-N 2 2 263.385 2.065 10 0 CEAELP CC(C)[N@H+](Cc1cccs1)C[C@]1([NH3+])CCOC1 ZINC000085914790 179197881 /nfs/dbraw/zinc/19/78/81/179197881.db2.gz IBZTYIBTIFMBHZ-CYBMUJFWSA-N 2 2 254.399 2.076 10 0 CEAELP CC(C)[N@@H+](Cc1cccs1)C[C@]1([NH3+])CCOC1 ZINC000085914790 179197884 /nfs/dbraw/zinc/19/78/84/179197884.db2.gz IBZTYIBTIFMBHZ-CYBMUJFWSA-N 2 2 254.399 2.076 10 0 CEAELP CC(C)[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173672 179244821 /nfs/dbraw/zinc/24/48/21/179244821.db2.gz PXNABJGOBWOLQW-DLBZAZTESA-N 2 2 281.488 2.283 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1Cc1[nH+]ccn1C ZINC000086264795 179261301 /nfs/dbraw/zinc/26/13/01/179261301.db2.gz SZNFMPJFSMRQBV-GOEBONIOSA-N 2 2 276.428 2.019 10 0 CEAELP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1Cc1[nH+]ccn1C ZINC000086264882 179261445 /nfs/dbraw/zinc/26/14/45/179261445.db2.gz HUULTARFJNKPAN-KBPBESRZSA-N 2 2 264.417 2.019 10 0 CEAELP C1CCC([C@@H]2C[N@@H+](C3CCOCC3)CCC[NH2+]2)CC1 ZINC000086287280 179264068 /nfs/dbraw/zinc/26/40/68/179264068.db2.gz KWVNIBQHEWPFQD-INIZCTEOSA-N 2 2 266.429 2.410 10 0 CEAELP C1CCC([C@@H]2C[N@H+](C3CCOCC3)CCC[NH2+]2)CC1 ZINC000086287280 179264070 /nfs/dbraw/zinc/26/40/70/179264070.db2.gz KWVNIBQHEWPFQD-INIZCTEOSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291496 179266891 /nfs/dbraw/zinc/26/68/91/179266891.db2.gz VAHKOBNBRXMBPL-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CCC[C@@H]1C[N@@H+](CC2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000086291496 179266894 /nfs/dbraw/zinc/26/68/94/179266894.db2.gz VAHKOBNBRXMBPL-MRXNPFEDSA-N 3 2 267.461 2.182 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296336 179267873 /nfs/dbraw/zinc/26/78/73/179267873.db2.gz JXEPFOMQVRFJID-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296336 179267874 /nfs/dbraw/zinc/26/78/74/179267874.db2.gz JXEPFOMQVRFJID-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP Cc1ncsc1C[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086297155 179268372 /nfs/dbraw/zinc/26/83/72/179268372.db2.gz AOBSSAPMUOOUKS-LBPRGKRZSA-N 2 2 251.399 2.025 10 0 CEAELP Cc1ncsc1C[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086297155 179268374 /nfs/dbraw/zinc/26/83/74/179268374.db2.gz AOBSSAPMUOOUKS-LBPRGKRZSA-N 2 2 251.399 2.025 10 0 CEAELP C[N@H+](CCc1cccs1)[C@]1(C[NH3+])CCSC1 ZINC000086440822 179293032 /nfs/dbraw/zinc/29/30/32/179293032.db2.gz CVQXQIQXZLWOFZ-LBPRGKRZSA-N 2 2 256.440 2.057 10 0 CEAELP C[N@@H+](CCc1cccs1)[C@]1(C[NH3+])CCSC1 ZINC000086440822 179293033 /nfs/dbraw/zinc/29/30/33/179293033.db2.gz CVQXQIQXZLWOFZ-LBPRGKRZSA-N 2 2 256.440 2.057 10 0 CEAELP C[C@@H](C[NH3+])C[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577487 179308491 /nfs/dbraw/zinc/30/84/91/179308491.db2.gz BMXAOCFUNRREBS-HNNXBMFYSA-N 2 2 295.471 2.086 10 0 CEAELP CC[N@H+](C1CCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819294 179348692 /nfs/dbraw/zinc/34/86/92/179348692.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 2 253.434 2.064 10 0 CEAELP CC[N@@H+](C1CCCC1)[C@]1(CN)CCC[NH+](C)CC1 ZINC000086819294 179348693 /nfs/dbraw/zinc/34/86/93/179348693.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 2 253.434 2.064 10 0 CEAELP CC[NH+](C1CCCC1)[C@]1(CN)CCC[N@H+](C)CC1 ZINC000086819294 179348695 /nfs/dbraw/zinc/34/86/95/179348695.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 2 253.434 2.064 10 0 CEAELP CC[NH+](C1CCCC1)[C@]1(CN)CCC[N@@H+](C)CC1 ZINC000086819294 179348697 /nfs/dbraw/zinc/34/86/97/179348697.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 2 253.434 2.064 10 0 CEAELP Cc1nccc(C[NH2+][C@H]2CCC[N@@H+](C(C)C)CC2)n1 ZINC000086842074 179352456 /nfs/dbraw/zinc/35/24/56/179352456.db2.gz LFLJDZJHXPURNU-AWEZNQCLSA-N 2 2 262.401 2.138 10 0 CEAELP Cc1nccc(C[NH2+][C@H]2CCC[N@H+](C(C)C)CC2)n1 ZINC000086842074 179352457 /nfs/dbraw/zinc/35/24/57/179352457.db2.gz LFLJDZJHXPURNU-AWEZNQCLSA-N 2 2 262.401 2.138 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851781 179359979 /nfs/dbraw/zinc/35/99/79/179359979.db2.gz DSWNRMCQSRIDGT-CQSZACIVSA-N 2 2 266.389 2.027 10 0 CEAELP CC[N@H+]1CCC[C@]([NH3+])(c2noc(C(C)(C)C)n2)CC1 ZINC000086851781 179359980 /nfs/dbraw/zinc/35/99/80/179359980.db2.gz DSWNRMCQSRIDGT-CQSZACIVSA-N 2 2 266.389 2.027 10 0 CEAELP C[NH2+][C@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851373 179359176 /nfs/dbraw/zinc/35/91/76/179359176.db2.gz GPOFXLJZGLTDIZ-CYBMUJFWSA-N 2 2 253.415 2.452 10 0 CEAELP C[NH2+][C@]1(c2nccs2)CCC[N@H+](C(C)C)CC1 ZINC000086851373 179359178 /nfs/dbraw/zinc/35/91/78/179359178.db2.gz GPOFXLJZGLTDIZ-CYBMUJFWSA-N 2 2 253.415 2.452 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088654 179393734 /nfs/dbraw/zinc/39/37/34/179393734.db2.gz LYWVURFZCGWTPZ-CQSZACIVSA-N 2 2 254.418 2.144 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088654 179393736 /nfs/dbraw/zinc/39/37/36/179393736.db2.gz LYWVURFZCGWTPZ-CQSZACIVSA-N 2 2 254.418 2.144 10 0 CEAELP COCc1cc([C@@H](C)[NH2+]CCc2c[nH]c[nH+]2)ccc1OC ZINC000087543823 179443001 /nfs/dbraw/zinc/44/30/01/179443001.db2.gz KWUZLGHMEYADNL-GFCCVEGCSA-N 2 2 289.379 2.458 10 0 CEAELP COCc1cc([C@@H](C)[NH2+]CCc2c[nH+]c[nH]2)ccc1OC ZINC000087543823 179443003 /nfs/dbraw/zinc/44/30/03/179443003.db2.gz KWUZLGHMEYADNL-GFCCVEGCSA-N 2 2 289.379 2.458 10 0 CEAELP CC(=O)Nc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616600154 348529891 /nfs/dbraw/zinc/52/98/91/348529891.db2.gz FDPKPMJRHYXWQJ-AWEZNQCLSA-N 2 2 275.396 2.173 10 0 CEAELP CC(=O)Nc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616600154 348529892 /nfs/dbraw/zinc/52/98/92/348529892.db2.gz FDPKPMJRHYXWQJ-AWEZNQCLSA-N 2 2 275.396 2.173 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccc3ccncc3c2)CC1 ZINC000616620333 348537307 /nfs/dbraw/zinc/53/73/07/348537307.db2.gz WFNWUAACIKFVEK-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP CCc1nc(C[N@H+](C)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000089112355 179706754 /nfs/dbraw/zinc/70/67/54/179706754.db2.gz PRMOJBZXQBGXGH-PWSUYJOCSA-N 2 2 253.415 2.265 10 0 CEAELP CCc1nc(C[N@@H+](C)[C@H]2CCC[C@@H]2C[NH3+])cs1 ZINC000089112355 179706756 /nfs/dbraw/zinc/70/67/56/179706756.db2.gz PRMOJBZXQBGXGH-PWSUYJOCSA-N 2 2 253.415 2.265 10 0 CEAELP c1cn(-c2ccc(CSCC3C[NH2+]C3)cc2)c[nH+]1 ZINC000090712558 180028662 /nfs/dbraw/zinc/02/86/62/180028662.db2.gz MJCUWNUPUBCCPM-UHFFFAOYSA-N 2 2 259.378 2.325 10 0 CEAELP CC[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895631 180055829 /nfs/dbraw/zinc/05/58/29/180055829.db2.gz LUUGGRVSBDCPJW-HNNXBMFYSA-N 2 2 289.354 2.444 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)C[NH+]1CCCC1)O2 ZINC000090897624 180056681 /nfs/dbraw/zinc/05/66/81/180056681.db2.gz STMFCZJGWWKMKK-GDBMZVCRSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1[nH+]cc(C[NH2+]Cc2cn[nH]c2)n1-c1ccccc1 ZINC000090992078 180081546 /nfs/dbraw/zinc/08/15/46/180081546.db2.gz PCZVKQUXJRXWHI-UHFFFAOYSA-N 2 2 267.336 2.194 10 0 CEAELP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362479 180141888 /nfs/dbraw/zinc/14/18/88/180141888.db2.gz AFGJPNKHLZIQAY-VGWMRTNUSA-N 2 2 266.429 2.408 10 0 CEAELP C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362479 180141889 /nfs/dbraw/zinc/14/18/89/180141889.db2.gz AFGJPNKHLZIQAY-VGWMRTNUSA-N 2 2 266.429 2.408 10 0 CEAELP CCCN1C(=O)CCC[C@H]([NH3+])[C@H]1c1c[nH+]cn1C1CC1 ZINC000091275593 180118801 /nfs/dbraw/zinc/11/88/01/180118801.db2.gz VVXAMCDNRIFIBJ-WFASDCNBSA-N 2 2 276.384 2.009 10 0 CEAELP CC[N@@H+]1CCC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275379 180118971 /nfs/dbraw/zinc/11/89/71/180118971.db2.gz JSQACQOTVGIHKH-IUODEOHRSA-N 2 2 262.401 2.210 10 0 CEAELP CC[N@H+]1CCC[C@H](C[NH2+]C)[C@@H]1c1cncn1C1CC1 ZINC000091275379 180118974 /nfs/dbraw/zinc/11/89/74/180118974.db2.gz JSQACQOTVGIHKH-IUODEOHRSA-N 2 2 262.401 2.210 10 0 CEAELP CC[C@@H]1CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276273 180119618 /nfs/dbraw/zinc/11/96/18/180119618.db2.gz CFBJBMUMHILKGL-OCCSQVGLSA-N 2 2 262.401 2.340 10 0 CEAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091451471 180158703 /nfs/dbraw/zinc/15/87/03/180158703.db2.gz UBMNEJBWVUTZQB-UWLZSVRSSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091451471 180158705 /nfs/dbraw/zinc/15/87/05/180158705.db2.gz UBMNEJBWVUTZQB-UWLZSVRSSA-N 2 2 262.397 2.086 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@H+](C)CC1CC(O)C1 ZINC000091459715 180161157 /nfs/dbraw/zinc/16/11/57/180161157.db2.gz CCTTUMPSUGGASJ-ZGBLGHFFSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091459715 180161159 /nfs/dbraw/zinc/16/11/59/180161159.db2.gz CCTTUMPSUGGASJ-ZGBLGHFFSA-N 2 2 282.815 2.431 10 0 CEAELP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)C(C)(C)[NH+]1CCCCC1 ZINC000091565232 180193412 /nfs/dbraw/zinc/19/34/12/180193412.db2.gz OHXCRNRDFANMAW-INIZCTEOSA-N 3 2 290.455 2.449 10 0 CEAELP CC[C@@](C)([C@@H](O)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000091569114 180195808 /nfs/dbraw/zinc/19/58/08/180195808.db2.gz CSQFYXHSUKGHCM-HOCLYGCPSA-N 2 2 280.412 2.341 10 0 CEAELP CCC[NH2+][C@@H](Cc1ncnn1CC(C)C)C(C)(C)[NH+](C)C ZINC000091529280 180180633 /nfs/dbraw/zinc/18/06/33/180180633.db2.gz YTUHPWFGUXBXAZ-AWEZNQCLSA-N 2 2 295.475 2.185 10 0 CEAELP CCC[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)[NH+](C)C ZINC000091529639 180180750 /nfs/dbraw/zinc/18/07/50/180180750.db2.gz DGAKQZXFIZCHBW-CYBMUJFWSA-N 2 2 281.448 2.110 10 0 CEAELP C[C@@H]1CCC[C@](C(=O)Cc2cc[nH+]c(N)c2)([NH+](C)C)C1 ZINC000091649793 180216587 /nfs/dbraw/zinc/21/65/87/180216587.db2.gz SGUTYDHLLZCSJA-WBMJQRKESA-N 2 2 275.396 2.286 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721157 180237783 /nfs/dbraw/zinc/23/77/83/180237783.db2.gz AOUJLIBFENOVHQ-OWCLPIDISA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721157 180237785 /nfs/dbraw/zinc/23/77/85/180237785.db2.gz AOUJLIBFENOVHQ-OWCLPIDISA-N 2 2 260.381 2.119 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000091723817 180242490 /nfs/dbraw/zinc/24/24/90/180242490.db2.gz WFYLRFPBSLRHSE-LBPRGKRZSA-N 2 2 278.444 2.332 10 0 CEAELP C[NH2+]C1CCC([N@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000091872852 180277870 /nfs/dbraw/zinc/27/78/70/180277870.db2.gz WPVPRZJFSSWACK-UHFFFAOYSA-N 2 2 280.416 2.330 10 0 CEAELP C[NH2+]C1CCC([N@@H+](C)Cc2noc(C(C)(C)C)n2)CC1 ZINC000091872852 180277871 /nfs/dbraw/zinc/27/78/71/180277871.db2.gz WPVPRZJFSSWACK-UHFFFAOYSA-N 2 2 280.416 2.330 10 0 CEAELP CC[NH2+][C@@H](C)c1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092054169 180312915 /nfs/dbraw/zinc/31/29/15/180312915.db2.gz TXJOJXAACYMABS-XJKSGUPXSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@@H](C)c1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054169 180312916 /nfs/dbraw/zinc/31/29/16/180312916.db2.gz TXJOJXAACYMABS-XJKSGUPXSA-N 2 2 278.396 2.067 10 0 CEAELP CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H]1C[N@H+](C)CCO1 ZINC000092054301 180314130 /nfs/dbraw/zinc/31/41/30/180314130.db2.gz NNIHYTWGLNFARU-HUUCEWRRSA-N 2 2 292.423 2.375 10 0 CEAELP CC[NH2+][C@H](C)c1cc(C)ccc1OC[C@H]1C[N@@H+](C)CCO1 ZINC000092054301 180314133 /nfs/dbraw/zinc/31/41/33/180314133.db2.gz NNIHYTWGLNFARU-HUUCEWRRSA-N 2 2 292.423 2.375 10 0 CEAELP C[C@@H]1C[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092082785 180319393 /nfs/dbraw/zinc/31/93/93/180319393.db2.gz YFZMBLBIHFOBHC-WZRBSPASSA-N 2 2 262.353 2.003 10 0 CEAELP CC(C)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863424 186081424 /nfs/dbraw/zinc/08/14/24/186081424.db2.gz QQWUIUSGXHVTBY-UHFFFAOYSA-N 2 2 278.444 2.325 10 0 CEAELP CC(C)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863424 186081425 /nfs/dbraw/zinc/08/14/25/186081425.db2.gz QQWUIUSGXHVTBY-UHFFFAOYSA-N 2 2 278.444 2.325 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2C[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302632 180359475 /nfs/dbraw/zinc/35/94/75/180359475.db2.gz HMVXIUNQMACHGO-DZGCQCFKSA-N 2 2 272.392 2.379 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000092302632 180359477 /nfs/dbraw/zinc/35/94/77/180359477.db2.gz HMVXIUNQMACHGO-DZGCQCFKSA-N 2 2 272.392 2.379 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOC)C1 ZINC000105897571 186086666 /nfs/dbraw/zinc/08/66/66/186086666.db2.gz DHTUDJNWJZKURE-CYBMUJFWSA-N 2 2 251.374 2.119 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOC)C1 ZINC000105897571 186086668 /nfs/dbraw/zinc/08/66/68/186086668.db2.gz DHTUDJNWJZKURE-CYBMUJFWSA-N 2 2 251.374 2.119 10 0 CEAELP CCOCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922667 186090350 /nfs/dbraw/zinc/09/03/50/186090350.db2.gz BNQLFZBWGQLXET-ZDUSSCGKSA-N 2 2 251.374 2.119 10 0 CEAELP CCOCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105922667 186090352 /nfs/dbraw/zinc/09/03/52/186090352.db2.gz BNQLFZBWGQLXET-ZDUSSCGKSA-N 2 2 251.374 2.119 10 0 CEAELP Cc1noc(C)c1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000092332098 180364669 /nfs/dbraw/zinc/36/46/69/180364669.db2.gz YPORFCYFVIENNY-NSHDSACASA-N 2 2 251.374 2.428 10 0 CEAELP Cc1noc(C)c1C[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339890 180365134 /nfs/dbraw/zinc/36/51/34/180365134.db2.gz UJEYZSKLAMXNOD-AWEZNQCLSA-N 2 2 265.401 2.359 10 0 CEAELP Cc1noc(C)c1C[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000092339890 180365136 /nfs/dbraw/zinc/36/51/36/180365136.db2.gz UJEYZSKLAMXNOD-AWEZNQCLSA-N 2 2 265.401 2.359 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC000092341863 180366098 /nfs/dbraw/zinc/36/60/98/180366098.db2.gz BHWNVHGSGHMZHE-AGUYFDCRSA-N 2 2 263.385 2.396 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC000092341863 180366099 /nfs/dbraw/zinc/36/60/99/180366099.db2.gz BHWNVHGSGHMZHE-AGUYFDCRSA-N 2 2 263.385 2.396 10 0 CEAELP Cc1cc(NC(=O)c2cccc(CC[NH3+])c2)cc[nH+]1 ZINC000092348631 180366866 /nfs/dbraw/zinc/36/68/66/180366866.db2.gz CCQSTRTZCGUUBB-UHFFFAOYSA-N 2 2 255.321 2.144 10 0 CEAELP CCC[C@@]1(C(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]C1 ZINC000092349927 180367965 /nfs/dbraw/zinc/36/79/65/180367965.db2.gz FCLYOAVMUJRFEV-OAHLLOKOSA-N 2 2 261.369 2.498 10 0 CEAELP Cc1cc(NC(=O)Nc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000092365430 180368999 /nfs/dbraw/zinc/36/89/99/180368999.db2.gz UUWIWGFPIUEXDC-UHFFFAOYSA-N 2 2 256.309 2.493 10 0 CEAELP CCNc1cccc(CN2CC[C@H]([NH+](CC)CC)C2)[nH+]1 ZINC000092370590 180370126 /nfs/dbraw/zinc/37/01/26/180370126.db2.gz LSBZJHOGGJFZLF-HNNXBMFYSA-N 2 2 276.428 2.430 10 0 CEAELP CC[C@H](C)[NH+]1CCN(Cc2cccc(NC)[nH+]2)CC1 ZINC000092370246 180370484 /nfs/dbraw/zinc/37/04/84/180370484.db2.gz KODNRBDDFHPYIQ-ZDUSSCGKSA-N 2 2 262.401 2.039 10 0 CEAELP CCNc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000092371432 180371165 /nfs/dbraw/zinc/37/11/65/180371165.db2.gz WRHINZQWWAVMQI-CABCVRRESA-N 2 2 274.412 2.182 10 0 CEAELP CCNc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000092371432 180371167 /nfs/dbraw/zinc/37/11/67/180371167.db2.gz WRHINZQWWAVMQI-CABCVRRESA-N 2 2 274.412 2.182 10 0 CEAELP C[NH2+][C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000109554369 186263289 /nfs/dbraw/zinc/26/32/89/186263289.db2.gz FHOBAHVQLIPTFY-WFASDCNBSA-N 2 2 278.396 2.134 10 0 CEAELP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]1C ZINC000109554369 186263291 /nfs/dbraw/zinc/26/32/91/186263291.db2.gz FHOBAHVQLIPTFY-WFASDCNBSA-N 2 2 278.396 2.134 10 0 CEAELP CCOc1cc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110936998 186334648 /nfs/dbraw/zinc/33/46/48/186334648.db2.gz MPNVFQQXABMUTL-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP CCOc1cc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)ccc1O ZINC000110936998 186334649 /nfs/dbraw/zinc/33/46/49/186334649.db2.gz MPNVFQQXABMUTL-CQSZACIVSA-N 2 2 278.396 2.365 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156065 186361808 /nfs/dbraw/zinc/36/18/08/186361808.db2.gz CVUXKFRSPUJZOK-DYVFJYSZSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156065 186361810 /nfs/dbraw/zinc/36/18/10/186361810.db2.gz CVUXKFRSPUJZOK-DYVFJYSZSA-N 2 2 292.423 2.442 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160366 186361815 /nfs/dbraw/zinc/36/18/15/186361815.db2.gz VMXLMCHVGKJFCL-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160366 186361817 /nfs/dbraw/zinc/36/18/17/186361817.db2.gz VMXLMCHVGKJFCL-KKUMJFAQSA-N 2 2 254.418 2.266 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111156062 186362534 /nfs/dbraw/zinc/36/25/34/186362534.db2.gz CVUXKFRSPUJZOK-GUYCJALGSA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111156062 186362536 /nfs/dbraw/zinc/36/25/36/186362536.db2.gz CVUXKFRSPUJZOK-GUYCJALGSA-N 2 2 292.423 2.442 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111156439 186362792 /nfs/dbraw/zinc/36/27/92/186362792.db2.gz PMUKFHRLHKZBNX-BXUZGUMPSA-N 2 2 252.358 2.026 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111156439 186362794 /nfs/dbraw/zinc/36/27/94/186362794.db2.gz PMUKFHRLHKZBNX-BXUZGUMPSA-N 2 2 252.358 2.026 10 0 CEAELP CN(CCC[NH+](C)C)c1ccc2[nH+]cccc2c1N ZINC000111132354 186356353 /nfs/dbraw/zinc/35/63/53/186356353.db2.gz WNRSIZNQRNBEBM-UHFFFAOYSA-N 2 2 258.369 2.205 10 0 CEAELP C[NH+](C)CCC[N@H+](C)CC1(C[NH2+]C2CC2)CCCC1 ZINC000111148024 186359338 /nfs/dbraw/zinc/35/93/38/186359338.db2.gz RRMSCOXYPKGWAJ-UHFFFAOYSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)CC1(C[NH2+]C2CC2)CCCC1 ZINC000111148024 186359340 /nfs/dbraw/zinc/35/93/40/186359340.db2.gz RRMSCOXYPKGWAJ-UHFFFAOYSA-N 3 2 267.461 2.182 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154784 186360236 /nfs/dbraw/zinc/36/02/36/186360236.db2.gz PSLPJXQZLMPQHU-KCQAQPDRSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)o1 ZINC000111154784 186360237 /nfs/dbraw/zinc/36/02/37/186360237.db2.gz PSLPJXQZLMPQHU-KCQAQPDRSA-N 2 2 266.385 2.335 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325562 186398433 /nfs/dbraw/zinc/39/84/33/186398433.db2.gz OJKYJTFJPCDFOB-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325562 186398435 /nfs/dbraw/zinc/39/84/35/186398435.db2.gz OJKYJTFJPCDFOB-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccoc2C)CCCOC1 ZINC000111328367 186399735 /nfs/dbraw/zinc/39/97/35/186399735.db2.gz UICUGFHMYXQHID-OAHLLOKOSA-N 2 2 266.385 2.036 10 0 CEAELP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccoc2C)CCCOC1 ZINC000111328367 186399737 /nfs/dbraw/zinc/39/97/37/186399737.db2.gz UICUGFHMYXQHID-OAHLLOKOSA-N 2 2 266.385 2.036 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)[nH+]1 ZINC000111212997 186370505 /nfs/dbraw/zinc/37/05/05/186370505.db2.gz OYTCHLHJFOHTSI-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)[nH+]1 ZINC000111212997 186370506 /nfs/dbraw/zinc/37/05/06/186370506.db2.gz OYTCHLHJFOHTSI-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111239110 186374496 /nfs/dbraw/zinc/37/44/96/186374496.db2.gz NQFHOZZPTZAPGT-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111239110 186374497 /nfs/dbraw/zinc/37/44/97/186374497.db2.gz NQFHOZZPTZAPGT-MRXNPFEDSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccnc2[nH]c([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)nc21 ZINC000111280131 186387592 /nfs/dbraw/zinc/38/75/92/186387592.db2.gz GGBASCSEZCGICI-CYBMUJFWSA-N 2 2 285.395 2.155 10 0 CEAELP Cc1ccnc2[nH]c([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)nc21 ZINC000111280131 186387593 /nfs/dbraw/zinc/38/75/93/186387593.db2.gz GGBASCSEZCGICI-CYBMUJFWSA-N 2 2 285.395 2.155 10 0 CEAELP CO[C@H]1C[N@H+](CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361544 351712292 /nfs/dbraw/zinc/71/22/92/351712292.db2.gz JQNYBDBETMEDTM-HIFRSBDPSA-N 2 2 280.437 2.217 10 0 CEAELP CO[C@H]1C[N@@H+](CCSc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630361544 351712296 /nfs/dbraw/zinc/71/22/96/351712296.db2.gz JQNYBDBETMEDTM-HIFRSBDPSA-N 2 2 280.437 2.217 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000389469474 540357858 /nfs/dbraw/zinc/35/78/58/540357858.db2.gz UOVICICTWURXSE-UONOGXRCSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000389469474 540357860 /nfs/dbraw/zinc/35/78/60/540357860.db2.gz UOVICICTWURXSE-UONOGXRCSA-N 2 2 260.381 2.237 10 0 CEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151326385 366639167 /nfs/dbraw/zinc/63/91/67/366639167.db2.gz OBTRYZOVBICLJP-GDBMZVCRSA-N 2 2 292.423 2.193 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc2[nH+]ccn21 ZINC000180161857 189240617 /nfs/dbraw/zinc/24/06/17/189240617.db2.gz AAUCZXPPEJPXAY-CQSZACIVSA-N 2 2 272.396 2.250 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc2[nH+]ccn21 ZINC000180161857 189240618 /nfs/dbraw/zinc/24/06/18/189240618.db2.gz AAUCZXPPEJPXAY-CQSZACIVSA-N 2 2 272.396 2.250 10 0 CEAELP O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000089151268 363938652 /nfs/dbraw/zinc/93/86/52/363938652.db2.gz CWRVCGQEFJQSLM-GDBMZVCRSA-N 2 2 271.364 2.123 10 0 CEAELP CCCn1cc[nH+]c1CNc1nc(N)[nH+]c(CC)c1C ZINC000095388183 364355097 /nfs/dbraw/zinc/35/50/97/364355097.db2.gz ZISPCSFUYTXTKI-UHFFFAOYSA-N 2 2 274.372 2.148 10 0 CEAELP COCCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000117876704 365129477 /nfs/dbraw/zinc/12/94/77/365129477.db2.gz HGFZMDIARAPNSV-AWEZNQCLSA-N 2 2 263.385 2.242 10 0 CEAELP COCCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000117876704 365129485 /nfs/dbraw/zinc/12/94/85/365129485.db2.gz HGFZMDIARAPNSV-AWEZNQCLSA-N 2 2 263.385 2.242 10 0 CEAELP Cc1ccc2nc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000231671035 370487198 /nfs/dbraw/zinc/48/71/98/370487198.db2.gz OTEKOVHURQEURG-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP Cc1ccc2nc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cn2c1 ZINC000231671035 370487206 /nfs/dbraw/zinc/48/72/06/370487206.db2.gz OTEKOVHURQEURG-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]2C2CCCCC2)no1 ZINC000261812311 371739222 /nfs/dbraw/zinc/73/92/22/371739222.db2.gz RPIOFGXIXDMXRN-LBPRGKRZSA-N 2 2 264.373 2.073 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]2C2CCCCC2)no1 ZINC000261812311 371739225 /nfs/dbraw/zinc/73/92/25/371739225.db2.gz RPIOFGXIXDMXRN-LBPRGKRZSA-N 2 2 264.373 2.073 10 0 CEAELP [NH3+]Cc1nc(C[NH2+][C@H](c2ccccc2)C2CCC2)no1 ZINC000262149889 371830586 /nfs/dbraw/zinc/83/05/86/371830586.db2.gz FVZOCAUAEBSDBS-OAHLLOKOSA-N 2 2 272.352 2.159 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078361 371819973 /nfs/dbraw/zinc/81/99/73/371819973.db2.gz SVIHKSMKVRZBTG-XYPHTWIQSA-N 2 2 290.407 2.023 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078361 371819981 /nfs/dbraw/zinc/81/99/81/371819981.db2.gz SVIHKSMKVRZBTG-XYPHTWIQSA-N 2 2 290.407 2.023 10 0 CEAELP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000248991848 189956349 /nfs/dbraw/zinc/95/63/49/189956349.db2.gz HGACDIKAGISKGP-AVGNSLFASA-N 2 2 286.379 2.033 10 0 CEAELP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)o1 ZINC000278170895 374741817 /nfs/dbraw/zinc/74/18/17/374741817.db2.gz CKTVDBSNFVPVJF-ZFWWWQNUSA-N 2 2 280.412 2.394 10 0 CEAELP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000422922639 376863864 /nfs/dbraw/zinc/86/38/64/376863864.db2.gz QJPUOPMJBOVFBD-JQWIXIFHSA-N 2 2 254.761 2.059 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177101906 542243777 /nfs/dbraw/zinc/24/37/77/542243777.db2.gz GKPYPDGDAADYQN-GFCCVEGCSA-N 2 2 262.382 2.313 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)s1 ZINC000177101906 542243781 /nfs/dbraw/zinc/24/37/81/542243781.db2.gz GKPYPDGDAADYQN-GFCCVEGCSA-N 2 2 262.382 2.313 10 0 CEAELP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CC[NH+](C)C ZINC000093461903 184677997 /nfs/dbraw/zinc/67/79/97/184677997.db2.gz RLGMOWAARKHZJI-KBPBESRZSA-N 2 2 299.459 2.316 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(Cl)cc3c2OCOC3)CC[C@@H]1[NH3+] ZINC000094341224 184784022 /nfs/dbraw/zinc/78/40/22/184784022.db2.gz DMHGKJOHVZRDNQ-HZMBPMFUSA-N 2 2 296.798 2.376 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3c2OCOC3)CC[C@@H]1[NH3+] ZINC000094341224 184784023 /nfs/dbraw/zinc/78/40/23/184784023.db2.gz DMHGKJOHVZRDNQ-HZMBPMFUSA-N 2 2 296.798 2.376 10 0 CEAELP CC[C@H]1C[C@](C[NH3+])([N@H+](CC)Cc2ccccn2)CCO1 ZINC000094911942 184891265 /nfs/dbraw/zinc/89/12/65/184891265.db2.gz LDIIAZLTUJBSCM-JKSUJKDBSA-N 2 2 277.412 2.190 10 0 CEAELP CC[C@H]1C[C@](C[NH3+])([N@@H+](CC)Cc2ccccn2)CCO1 ZINC000094911942 184891267 /nfs/dbraw/zinc/89/12/67/184891267.db2.gz LDIIAZLTUJBSCM-JKSUJKDBSA-N 2 2 277.412 2.190 10 0 CEAELP C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC000400509570 533462689 /nfs/dbraw/zinc/46/26/89/533462689.db2.gz FEKAPIUSMXMSHP-GDBMZVCRSA-N 2 2 284.407 2.019 10 0 CEAELP Cc1cc(N2CCC[C@H](C(N)=[NH2+])C2)nc(C(C)C)[nH+]1 ZINC000079838845 134492974 /nfs/dbraw/zinc/49/29/74/134492974.db2.gz RBAWHEBRPDGNGW-NSHDSACASA-N 2 2 261.373 2.061 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089147839 135058367 /nfs/dbraw/zinc/05/83/67/135058367.db2.gz MCLVHCGBROPPBA-BBRMVZONSA-N 2 2 275.396 2.063 10 0 CEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394526991 /nfs/dbraw/zinc/52/69/91/394526991.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 2 252.402 2.114 10 0 CEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394526996 /nfs/dbraw/zinc/52/69/96/394526996.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394526999 /nfs/dbraw/zinc/52/69/99/394526999.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394527003 /nfs/dbraw/zinc/52/70/03/394527003.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 2 252.402 2.114 10 0 CEAELP Cc1ccc(Br)cc1[C@@H](C[NH3+])[NH+](C)C ZINC000076306660 176977188 /nfs/dbraw/zinc/97/71/88/176977188.db2.gz HMCYPUHZRPSDCM-LLVKDONJSA-N 2 2 257.175 2.319 10 0 CEAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+](C)CC2CC2)c1 ZINC000020226464 171091682 /nfs/dbraw/zinc/09/16/82/171091682.db2.gz ZIBKGIVNURRVKX-CQSZACIVSA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+](C)CC2CC2)c1 ZINC000020226464 171091683 /nfs/dbraw/zinc/09/16/83/171091683.db2.gz ZIBKGIVNURRVKX-CQSZACIVSA-N 2 2 264.369 2.045 10 0 CEAELP CCCCOC(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000037394133 173174190 /nfs/dbraw/zinc/17/41/90/173174190.db2.gz XDCBICWVVSAIRO-AWEZNQCLSA-N 2 2 272.433 2.430 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000037484745 173229484 /nfs/dbraw/zinc/22/94/84/173229484.db2.gz WCYRFKAWLQGHAW-NSHDSACASA-N 2 2 283.213 2.490 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000037484745 173229486 /nfs/dbraw/zinc/22/94/86/173229486.db2.gz WCYRFKAWLQGHAW-NSHDSACASA-N 2 2 283.213 2.490 10 0 CEAELP COc1ccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)cc1Br ZINC000038074060 174083910 /nfs/dbraw/zinc/08/39/10/174083910.db2.gz LLNZMFOYHSNRNE-JTQLQIEISA-N 2 2 296.168 2.423 10 0 CEAELP COc1ccc(C2CC([NH2+]C[C@@H](C)[NH+](C)C)C2)cc1 ZINC000038087768 174100608 /nfs/dbraw/zinc/10/06/08/174100608.db2.gz KMMSIFNOCLFUBG-LRVUVFPRSA-N 2 2 262.397 2.481 10 0 CEAELP Cc1cc(C)c(C[NH3+])c(N(C)Cc2cccnc2)[nH+]1 ZINC000040509445 174303425 /nfs/dbraw/zinc/30/34/25/174303425.db2.gz AQFYXUPOXRRIKY-UHFFFAOYSA-N 2 2 256.353 2.189 10 0 CEAELP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)ccc1O ZINC000040672154 174370290 /nfs/dbraw/zinc/37/02/90/174370290.db2.gz FVBFYQZIJNXGAW-YPMHNXCESA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)ccc1O ZINC000040672154 174370292 /nfs/dbraw/zinc/37/02/92/174370292.db2.gz FVBFYQZIJNXGAW-YPMHNXCESA-N 2 2 264.369 2.146 10 0 CEAELP CCOC1CC[NH+](C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000040689280 174376289 /nfs/dbraw/zinc/37/62/89/174376289.db2.gz FZPHRVKZJHZYMU-INIZCTEOSA-N 2 2 278.396 2.196 10 0 CEAELP [NH3+]C[C@H]1CCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693671 174377203 /nfs/dbraw/zinc/37/72/03/174377203.db2.gz OJVHXTWCODGJGU-ZBFHGGJFSA-N 3 2 265.445 2.064 10 0 CEAELP CC[N@H+](Cc1nc(C)c(C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748232 174393123 /nfs/dbraw/zinc/39/31/23/174393123.db2.gz VCTODEVEBBISRC-PBWFPOADSA-N 2 2 263.385 2.396 10 0 CEAELP CC[N@@H+](Cc1nc(C)c(C)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748232 174393125 /nfs/dbraw/zinc/39/31/25/174393125.db2.gz VCTODEVEBBISRC-PBWFPOADSA-N 2 2 263.385 2.396 10 0 CEAELP CC[C@H]([NH3+])Cc1ccc(OC)cc1OCCn1cc[nH+]c1 ZINC000040905445 174430996 /nfs/dbraw/zinc/43/09/96/174430996.db2.gz NNYISONYYTUDOA-AWEZNQCLSA-N 2 2 289.379 2.251 10 0 CEAELP COCCC[N@H+](CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314991 175004564 /nfs/dbraw/zinc/00/45/64/175004564.db2.gz KJZUCKURUYLHJB-QGZVFWFLSA-N 2 2 294.439 2.288 10 0 CEAELP COCCC[N@@H+](CCOC)[C@H](C[NH3+])c1cccc(C)c1C ZINC000043314991 175004565 /nfs/dbraw/zinc/00/45/65/175004565.db2.gz KJZUCKURUYLHJB-QGZVFWFLSA-N 2 2 294.439 2.288 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354607 175022363 /nfs/dbraw/zinc/02/23/63/175022363.db2.gz VWEMRSTVOURIAY-CVEARBPZSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccncc1)[C@H]([NH3+])CC ZINC000043354607 175022364 /nfs/dbraw/zinc/02/23/64/175022364.db2.gz VWEMRSTVOURIAY-CVEARBPZSA-N 2 2 279.428 2.343 10 0 CEAELP Cc1cc(C)cc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000043394363 175034853 /nfs/dbraw/zinc/03/48/53/175034853.db2.gz USGXGKFAPANIFM-HOTGVXAUSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cc(C)cc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)c1 ZINC000043394363 175034855 /nfs/dbraw/zinc/03/48/55/175034855.db2.gz USGXGKFAPANIFM-HOTGVXAUSA-N 2 2 262.397 2.414 10 0 CEAELP CCC[NH+](CCC)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043814805 175111446 /nfs/dbraw/zinc/11/14/46/175111446.db2.gz BKFNAWOKNINSOG-LSDHHAIUSA-N 2 2 284.444 2.382 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818697 175114046 /nfs/dbraw/zinc/11/40/46/175114046.db2.gz FKBOHABKRFVSIG-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818697 175114047 /nfs/dbraw/zinc/11/40/47/175114047.db2.gz FKBOHABKRFVSIG-CVEARBPZSA-N 2 2 261.413 2.477 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913698 175124153 /nfs/dbraw/zinc/12/41/53/175124153.db2.gz WPNNWBFZNNEBQY-APIJFGDWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913698 175124154 /nfs/dbraw/zinc/12/41/54/175124154.db2.gz WPNNWBFZNNEBQY-APIJFGDWSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966046 175127004 /nfs/dbraw/zinc/12/70/04/175127004.db2.gz NSCVOAMHKJVSIA-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966046 175127005 /nfs/dbraw/zinc/12/70/05/175127005.db2.gz NSCVOAMHKJVSIA-RRFJBIMHSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966681 175127903 /nfs/dbraw/zinc/12/79/03/175127903.db2.gz YNTHSNNBFWCVER-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966681 175127904 /nfs/dbraw/zinc/12/79/04/175127904.db2.gz YNTHSNNBFWCVER-SOUVJXGZSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@H+](CC)CCOC ZINC000043968645 175129401 /nfs/dbraw/zinc/12/94/01/175129401.db2.gz SKQXPSFOHZHXED-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@H]1[N@@H+](CC)CCOC ZINC000043968645 175129402 /nfs/dbraw/zinc/12/94/02/175129402.db2.gz SKQXPSFOHZHXED-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@H+](CC)CCOC ZINC000043968644 175129527 /nfs/dbraw/zinc/12/95/27/175129527.db2.gz SKQXPSFOHZHXED-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1c2ccccc2C[C@@H]1[N@@H+](CC)CCOC ZINC000043968644 175129529 /nfs/dbraw/zinc/12/95/29/175129529.db2.gz SKQXPSFOHZHXED-HOTGVXAUSA-N 2 2 262.397 2.230 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)CC1CCCCC1 ZINC000043968284 175129714 /nfs/dbraw/zinc/12/97/14/175129714.db2.gz BLOUQTBJRFTCFU-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)CC1CCCCC1 ZINC000043968284 175129715 /nfs/dbraw/zinc/12/97/15/175129715.db2.gz BLOUQTBJRFTCFU-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCCC[N@H+](C1CC1)[C@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968188 175129737 /nfs/dbraw/zinc/12/97/37/175129737.db2.gz OHUCTXCTWWWTQZ-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCCC[N@@H+](C1CC1)[C@H]1COCC[C@@H]1[NH2+]CCC ZINC000043968188 175129739 /nfs/dbraw/zinc/12/97/39/175129739.db2.gz OHUCTXCTWWWTQZ-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@H+](CCOC)C1CC1 ZINC000043969741 175131461 /nfs/dbraw/zinc/13/14/61/175131461.db2.gz XLSKOIKUTDUIIJ-SUMWQHHRSA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969741 175131463 /nfs/dbraw/zinc/13/14/63/175131463.db2.gz XLSKOIKUTDUIIJ-SUMWQHHRSA-N 2 2 292.423 2.455 10 0 CEAELP CCOc1ccccc1[C@@H](O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000044121441 175142571 /nfs/dbraw/zinc/14/25/71/175142571.db2.gz XQAXNKMPPSLIHL-INIZCTEOSA-N 2 2 292.423 2.145 10 0 CEAELP CCOc1ccccc1[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000044121441 175142572 /nfs/dbraw/zinc/14/25/72/175142572.db2.gz XQAXNKMPPSLIHL-INIZCTEOSA-N 2 2 292.423 2.145 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747470 175243179 /nfs/dbraw/zinc/24/31/79/175243179.db2.gz BYEWHVNPAKLHPG-XJKSGUPXSA-N 2 2 260.381 2.453 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747470 175243180 /nfs/dbraw/zinc/24/31/80/175243180.db2.gz BYEWHVNPAKLHPG-XJKSGUPXSA-N 2 2 260.381 2.453 10 0 CEAELP c1cn(CCCC[NH2+]Cc2ccc3c(c2)OCO3)c[nH+]1 ZINC000045094437 175307167 /nfs/dbraw/zinc/30/71/67/175307167.db2.gz YUIDUOOIIGWARR-UHFFFAOYSA-N 2 2 273.336 2.182 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000045136407 175313827 /nfs/dbraw/zinc/31/38/27/175313827.db2.gz WQOSUJNAIMSWBR-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000045136407 175313828 /nfs/dbraw/zinc/31/38/28/175313828.db2.gz WQOSUJNAIMSWBR-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@@H+]2Cc3cccc(N)c3C2)C1 ZINC000045136407 175313830 /nfs/dbraw/zinc/31/38/30/175313830.db2.gz WQOSUJNAIMSWBR-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@H+]2Cc3cccc(N)c3C2)C1 ZINC000045136407 175313831 /nfs/dbraw/zinc/31/38/31/175313831.db2.gz WQOSUJNAIMSWBR-ZDUSSCGKSA-N 2 2 259.397 2.315 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCCC1)[NH2+]C ZINC000045378240 175367872 /nfs/dbraw/zinc/36/78/72/175367872.db2.gz MVJCQHXDODXTNG-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380916 175369957 /nfs/dbraw/zinc/36/99/57/175369957.db2.gz YTHSCVUAWBFXCG-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP COC(=O)[C@@](C)(CCCC[N@@H+](C)CC(C)C)[NH2+]C1CC1 ZINC000045380916 175369959 /nfs/dbraw/zinc/36/99/59/175369959.db2.gz YTHSCVUAWBFXCG-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH3+])C(=O)OC)c1cccc(C)c1 ZINC000045420047 175378381 /nfs/dbraw/zinc/37/83/81/175378381.db2.gz HQDXAVHPNQBDBY-INIZCTEOSA-N 2 2 278.396 2.492 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH3+])C(=O)OC)c1cccc(C)c1 ZINC000045420047 175378382 /nfs/dbraw/zinc/37/83/82/175378382.db2.gz HQDXAVHPNQBDBY-INIZCTEOSA-N 2 2 278.396 2.492 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090854 176031516 /nfs/dbraw/zinc/03/15/16/176031516.db2.gz CCONAKFKXOXOET-YOEHRIQHSA-N 2 2 274.408 2.374 10 0 CEAELP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145283 176042061 /nfs/dbraw/zinc/04/20/61/176042061.db2.gz QENRJKSFBMVLMZ-LLVKDONJSA-N 2 2 296.798 2.248 10 0 CEAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCOC3)C1 ZINC000071145283 176042063 /nfs/dbraw/zinc/04/20/63/176042063.db2.gz QENRJKSFBMVLMZ-LLVKDONJSA-N 2 2 296.798 2.248 10 0 CEAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070297 /nfs/dbraw/zinc/07/02/97/176070297.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 3 2 279.472 2.182 10 0 CEAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070298 /nfs/dbraw/zinc/07/02/98/176070298.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 3 2 279.472 2.182 10 0 CEAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070299 /nfs/dbraw/zinc/07/02/99/176070299.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 3 2 279.472 2.182 10 0 CEAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070300 /nfs/dbraw/zinc/07/03/00/176070300.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 3 2 279.472 2.182 10 0 CEAELP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071063 /nfs/dbraw/zinc/07/10/63/176071063.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071064 /nfs/dbraw/zinc/07/10/64/176071064.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071066 /nfs/dbraw/zinc/07/10/66/176071066.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071068 /nfs/dbraw/zinc/07/10/68/176071068.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191828 176071387 /nfs/dbraw/zinc/07/13/87/176071387.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191828 176071389 /nfs/dbraw/zinc/07/13/89/176071389.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191828 176071390 /nfs/dbraw/zinc/07/13/90/176071390.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000071191828 176071391 /nfs/dbraw/zinc/07/13/91/176071391.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 3 2 279.428 2.161 10 0 CEAELP COc1ccc(CC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197907 176076729 /nfs/dbraw/zinc/07/67/29/176076729.db2.gz CRMBDXUPUWYMMM-INIZCTEOSA-N 2 2 274.408 2.454 10 0 CEAELP COc1ccc(CC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197907 176076731 /nfs/dbraw/zinc/07/67/31/176076731.db2.gz CRMBDXUPUWYMMM-INIZCTEOSA-N 2 2 274.408 2.454 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071200991 176077555 /nfs/dbraw/zinc/07/75/55/176077555.db2.gz YTCMLHOPNNKHEI-MRXNPFEDSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071200991 176077556 /nfs/dbraw/zinc/07/75/56/176077556.db2.gz YTCMLHOPNNKHEI-MRXNPFEDSA-N 3 2 267.461 2.181 10 0 CEAELP CC[N@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313910 176120496 /nfs/dbraw/zinc/12/04/96/176120496.db2.gz ROCXUKHMGNKUBW-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP CC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000071313910 176120498 /nfs/dbraw/zinc/12/04/98/176120498.db2.gz ROCXUKHMGNKUBW-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP CC[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C(C)(C)C)C[NH2+]1 ZINC000071344217 176131127 /nfs/dbraw/zinc/13/11/27/176131127.db2.gz ILKXSPKUAWVETG-CABCVRRESA-N 2 2 278.444 2.372 10 0 CEAELP COc1ccc(C(C)C)cc1C[C@H]([NH3+])C[NH+](C)C ZINC000071572682 176198884 /nfs/dbraw/zinc/19/88/84/176198884.db2.gz TWYFHRVVDOURMH-AWEZNQCLSA-N 2 2 250.386 2.250 10 0 CEAELP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1[NH+]1CCC(C[NH+](C)C)CC1 ZINC000079623991 177528181 /nfs/dbraw/zinc/52/81/81/177528181.db2.gz ZAUMURSCSYLGMK-HZPDHXFCSA-N 3 2 281.488 2.427 10 0 CEAELP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000398384386 270358080 /nfs/dbraw/zinc/35/80/80/270358080.db2.gz WUYMKPWAVLFZDN-VIFPVBQESA-N 2 2 287.176 2.287 10 0 CEAELP c1cn([C@@H]2CO[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000096072839 275072573 /nfs/dbraw/zinc/07/25/73/275072573.db2.gz PXNWSKSJPBZLHN-DLBZAZTESA-N 2 2 283.375 2.489 10 0 CEAELP c1cn([C@@H]2CO[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH+]1 ZINC000096072839 275072575 /nfs/dbraw/zinc/07/25/75/275072575.db2.gz PXNWSKSJPBZLHN-DLBZAZTESA-N 2 2 283.375 2.489 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880295 280263754 /nfs/dbraw/zinc/26/37/54/280263754.db2.gz KUBPGLBBYPXAQH-CZUORRHYSA-N 2 2 262.397 2.314 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(CO)c2)C1 ZINC000245880295 280263755 /nfs/dbraw/zinc/26/37/55/280263755.db2.gz KUBPGLBBYPXAQH-CZUORRHYSA-N 2 2 262.397 2.314 10 0 CEAELP COc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1OC ZINC000234979791 295297740 /nfs/dbraw/zinc/29/77/40/295297740.db2.gz MZJPDTPTYQMPPA-GXTWGEPZSA-N 2 2 278.396 2.263 10 0 CEAELP COc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1OC ZINC000234979791 295297743 /nfs/dbraw/zinc/29/77/43/295297743.db2.gz MZJPDTPTYQMPPA-GXTWGEPZSA-N 2 2 278.396 2.263 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccnc3C(F)(F)F)C[C@H]12 ZINC000530219786 298054900 /nfs/dbraw/zinc/05/49/00/298054900.db2.gz QOPXXDVUHTVEJX-ZMLRMANQSA-N 2 2 285.313 2.270 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3C(F)(F)F)C[C@H]12 ZINC000530219786 298054901 /nfs/dbraw/zinc/05/49/01/298054901.db2.gz QOPXXDVUHTVEJX-ZMLRMANQSA-N 2 2 285.313 2.270 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133673022 298882420 /nfs/dbraw/zinc/88/24/20/298882420.db2.gz OJGSVTKDCIJMKR-NNKSGKNISA-N 2 2 278.440 2.168 10 0 CEAELP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503879 519723798 /nfs/dbraw/zinc/72/37/98/519723798.db2.gz WQNRZYWCKCSSHS-UONOGXRCSA-N 2 2 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2 274.393 2.449 10 0 CEAELP CC[N@@H+](Cc1cccs1)Cc1cccnc1C(N)=[NH2+] ZINC000061658181 521406579 /nfs/dbraw/zinc/40/65/79/521406579.db2.gz XHGFTCAIYKTWJV-UHFFFAOYSA-N 2 2 274.393 2.449 10 0 CEAELP CCC[N@H+](CC(=O)Nc1ccccc1)[C@](C)(CC)C[NH3+] ZINC000050092102 521551653 /nfs/dbraw/zinc/55/16/53/521551653.db2.gz WCQPYOBFQJREGY-MRXNPFEDSA-N 2 2 277.412 2.465 10 0 CEAELP CCC[N@@H+](CC(=O)Nc1ccccc1)[C@](C)(CC)C[NH3+] ZINC000050092102 521551660 /nfs/dbraw/zinc/55/16/60/521551660.db2.gz WCQPYOBFQJREGY-MRXNPFEDSA-N 2 2 277.412 2.465 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@]2(C[NH2+]C3CC3)CCOC2)c1C ZINC000054665272 521815763 /nfs/dbraw/zinc/81/57/63/521815763.db2.gz WMFYYXVQHPXYMQ-QGZVFWFLSA-N 2 2 290.407 2.408 10 0 CEAELP COCC[C@H]([NH3+])C[N@H+](Cc1cccs1)C1CC1 ZINC000052810879 521951871 /nfs/dbraw/zinc/95/18/71/521951871.db2.gz GNCJTENAJBUFEV-NSHDSACASA-N 2 2 254.399 2.076 10 0 CEAELP COCC[C@H]([NH3+])C[N@@H+](Cc1cccs1)C1CC1 ZINC000052810879 521951877 /nfs/dbraw/zinc/95/18/77/521951877.db2.gz 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10 0 CEAELP Cc1[nH]c(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c[nH+]1 ZINC000054822437 526887080 /nfs/dbraw/zinc/88/70/80/526887080.db2.gz AAMVFKHRCWEBCH-IUODEOHRSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH]cc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)[nH+]1 ZINC000054822437 526887084 /nfs/dbraw/zinc/88/70/84/526887084.db2.gz AAMVFKHRCWEBCH-IUODEOHRSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1cccnc1C(N)=[NH2+] ZINC000061658443 527171697 /nfs/dbraw/zinc/17/16/97/527171697.db2.gz UXCVOOHDUYKCLW-UHFFFAOYSA-N 2 2 265.320 2.072 10 0 CEAELP [NH3+]C[C@@]1([NH+]2CCN(c3ccccc3)CC2)CCCSC1 ZINC000061589920 527222045 /nfs/dbraw/zinc/22/20/45/527222045.db2.gz JXPPDEOTUFKEFD-INIZCTEOSA-N 2 2 291.464 2.033 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@@H]2c2ccncc2)cc[nH+]1 ZINC000061811584 527248489 /nfs/dbraw/zinc/24/84/89/527248489.db2.gz SWVGBJLRQZCKPW-OAHLLOKOSA-N 2 2 254.337 2.277 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@@H](C)[NH2+]C[C@@H]1C1CCCCC1 ZINC000068699269 527427866 /nfs/dbraw/zinc/42/78/66/527427866.db2.gz GMXBUROLKMBLBU-RHSMWYFYSA-N 2 2 290.455 2.434 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699269 527427876 /nfs/dbraw/zinc/42/78/76/527427876.db2.gz GMXBUROLKMBLBU-RHSMWYFYSA-N 2 2 290.455 2.434 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)NC[C@@H]1C1CCCCC1 ZINC000068699269 527427879 /nfs/dbraw/zinc/42/78/79/527427879.db2.gz GMXBUROLKMBLBU-RHSMWYFYSA-N 2 2 290.455 2.434 10 0 CEAELP O=C(CC[C@H]1CCC[NH2+]1)Nc1ccccc1-n1cc[nH+]c1 ZINC000261621096 628949804 /nfs/dbraw/zinc/94/98/04/628949804.db2.gz GLFRQULVQRZFQD-CYBMUJFWSA-N 2 2 284.363 2.343 10 0 CEAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675126 361921194 /nfs/dbraw/zinc/92/11/94/361921194.db2.gz RSHNUJYIIWDTEN-ZDUSSCGKSA-N 2 2 264.369 2.190 10 0 CEAELP Brc1cccc(Cn2c[nH+]cc2C2C[NH2+]C2)c1 ZINC000097023474 185153747 /nfs/dbraw/zinc/15/37/47/185153747.db2.gz XKUDJLQTCJISNN-UHFFFAOYSA-N 2 2 292.180 2.381 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747126 539232403 /nfs/dbraw/zinc/23/24/03/539232403.db2.gz UBMUXOFACSHEFR-OAHLLOKOSA-N 2 2 282.815 2.459 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(Cl)cc2C)C1 ZINC000231747126 539232405 /nfs/dbraw/zinc/23/24/05/539232405.db2.gz UBMUXOFACSHEFR-OAHLLOKOSA-N 2 2 282.815 2.459 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077567 539248543 /nfs/dbraw/zinc/24/85/43/539248543.db2.gz DFFCPJQAXOJMIH-NUEKZKHPSA-N 2 2 266.429 2.289 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)C1 ZINC000300077567 539248545 /nfs/dbraw/zinc/24/85/45/539248545.db2.gz DFFCPJQAXOJMIH-NUEKZKHPSA-N 2 2 266.429 2.289 10 0 CEAELP C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1c[nH]c[nH+]1 ZINC000029400716 343400025 /nfs/dbraw/zinc/40/00/25/343400025.db2.gz RHYGQVWDQIOTFG-GFCCVEGCSA-N 2 2 259.353 2.269 10 0 CEAELP C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1c[nH+]c[nH]1 ZINC000029400716 343400028 /nfs/dbraw/zinc/40/00/28/343400028.db2.gz RHYGQVWDQIOTFG-GFCCVEGCSA-N 2 2 259.353 2.269 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434971 344374214 /nfs/dbraw/zinc/37/42/14/344374214.db2.gz BQFCJEOSSGZPCX-KRWDZBQOSA-N 2 2 292.423 2.284 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OC(C)C)cc2)C1 ZINC000134434971 344374217 /nfs/dbraw/zinc/37/42/17/344374217.db2.gz BQFCJEOSSGZPCX-KRWDZBQOSA-N 2 2 292.423 2.284 10 0 CEAELP CC(C)(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085526610 179089173 /nfs/dbraw/zinc/08/91/73/179089173.db2.gz FQORMZHUXFMCPW-HOTGVXAUSA-N 2 2 290.455 2.372 10 0 CEAELP c1nc2c(n1-c1ccc([NH+]3CCCC3)cc1)CC[NH2+]C2 ZINC000085567390 179095270 /nfs/dbraw/zinc/09/52/70/179095270.db2.gz GONXNQTURMOEPC-UHFFFAOYSA-N 2 2 268.364 2.118 10 0 CEAELP c1ccc(C[C@H]2C[N@H+](CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608790 179100923 /nfs/dbraw/zinc/10/09/23/179100923.db2.gz UKQNCSQOMPESKX-SFHVURJKSA-N 2 2 288.435 2.320 10 0 CEAELP c1ccc(C[C@H]2C[N@@H+](CC3CCOCC3)CCC[NH2+]2)cc1 ZINC000085608790 179100924 /nfs/dbraw/zinc/10/09/24/179100924.db2.gz UKQNCSQOMPESKX-SFHVURJKSA-N 2 2 288.435 2.320 10 0 CEAELP CCC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCC[NH2+]1 ZINC000085612386 179102489 /nfs/dbraw/zinc/10/24/89/179102489.db2.gz SGGAEYMZDQVVGP-CQSZACIVSA-N 2 2 272.396 2.298 10 0 CEAELP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085623549 179105274 /nfs/dbraw/zinc/10/52/74/179105274.db2.gz HPAURNDOPBTQNW-YPMHNXCESA-N 2 2 294.361 2.418 10 0 CEAELP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085623549 179105275 /nfs/dbraw/zinc/10/52/75/179105275.db2.gz HPAURNDOPBTQNW-YPMHNXCESA-N 2 2 294.361 2.418 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C1CCOCC1 ZINC000086218864 179251099 /nfs/dbraw/zinc/25/10/99/179251099.db2.gz XGMNDTBMRYMFCI-HNNXBMFYSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C1CCOCC1 ZINC000086218864 179251101 /nfs/dbraw/zinc/25/11/01/179251101.db2.gz XGMNDTBMRYMFCI-HNNXBMFYSA-N 2 2 266.429 2.408 10 0 CEAELP CCC[C@H]1CN(Cc2[nH+]ccn2C)[C@H](C(C)C)C[NH2+]1 ZINC000086264886 179261195 /nfs/dbraw/zinc/26/11/95/179261195.db2.gz YMSIWJDJIAVZHT-KBPBESRZSA-N 2 2 264.417 2.019 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)s1 ZINC000086289955 179264520 /nfs/dbraw/zinc/26/45/20/179264520.db2.gz CGWPBZNEWJGMPY-AWEZNQCLSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)s1 ZINC000086289955 179264521 /nfs/dbraw/zinc/26/45/21/179264521.db2.gz CGWPBZNEWJGMPY-AWEZNQCLSA-N 2 2 265.426 2.416 10 0 CEAELP Cc1ncc(C[N@@H+]2CCC[NH2+][C@H](C(C)C)C2)s1 ZINC000086289962 179264753 /nfs/dbraw/zinc/26/47/53/179264753.db2.gz NYQADYCRQSUNGD-ZDUSSCGKSA-N 2 2 253.415 2.271 10 0 CEAELP Cc1ncc(C[N@H+]2CCC[NH2+][C@H](C(C)C)C2)s1 ZINC000086289962 179264754 /nfs/dbraw/zinc/26/47/54/179264754.db2.gz NYQADYCRQSUNGD-ZDUSSCGKSA-N 2 2 253.415 2.271 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895066 365938862 /nfs/dbraw/zinc/93/88/62/365938862.db2.gz MKAJNEGXFQPIKD-UKRRQHHQSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2OC)C1 ZINC000336895066 365938866 /nfs/dbraw/zinc/93/88/66/365938866.db2.gz MKAJNEGXFQPIKD-UKRRQHHQSA-N 2 2 262.397 2.310 10 0 CEAELP C[C@H]([NH2+][C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCOC1 ZINC000128696166 187385039 /nfs/dbraw/zinc/38/50/39/187385039.db2.gz YOACEURTUHMIIS-BPUTZDHNSA-N 2 2 262.397 2.304 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@H]1CCC[N@H+](C)CC1)C(C)C ZINC000086817018 179344809 /nfs/dbraw/zinc/34/48/09/179344809.db2.gz GDJIKULTERFXOI-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH+](CC[NH2+][C@H]1CCC[N@@H+](C)CC1)C(C)C ZINC000086817018 179344811 /nfs/dbraw/zinc/34/48/11/179344811.db2.gz GDJIKULTERFXOI-HNNXBMFYSA-N 3 2 255.450 2.179 10 0 CEAELP CC(C)[NH2+][C@]1(c2nccs2)CCC[N@H+](C)CC1 ZINC000086833711 179349877 /nfs/dbraw/zinc/34/98/77/179349877.db2.gz LEJHLJKSANFMTI-CYBMUJFWSA-N 2 2 253.415 2.452 10 0 CEAELP CC(C)[NH2+][C@]1(c2nccs2)CCC[N@@H+](C)CC1 ZINC000086833711 179349878 /nfs/dbraw/zinc/34/98/78/179349878.db2.gz LEJHLJKSANFMTI-CYBMUJFWSA-N 2 2 253.415 2.452 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840333 179351879 /nfs/dbraw/zinc/35/18/79/179351879.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 3 2 279.472 2.466 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840333 179351881 /nfs/dbraw/zinc/35/18/81/179351881.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 3 2 279.472 2.466 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840459 179353716 /nfs/dbraw/zinc/35/37/16/179353716.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840459 179353717 /nfs/dbraw/zinc/35/37/17/179353717.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 3 2 267.461 2.325 10 0 CEAELP C1C[NH2+][C@H]([C@H]2CCCC[N@@H+]2[C@@H]2CCCOCC2)C1 ZINC000086876865 179365538 /nfs/dbraw/zinc/36/55/38/179365538.db2.gz JYRLRXACHFVPTQ-QLFBSQMISA-N 2 2 252.402 2.162 10 0 CEAELP C1C[NH2+][C@H]([C@H]2CCCC[N@H+]2[C@@H]2CCCOCC2)C1 ZINC000086876865 179365539 /nfs/dbraw/zinc/36/55/39/179365539.db2.gz JYRLRXACHFVPTQ-QLFBSQMISA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891003 179366063 /nfs/dbraw/zinc/36/60/63/179366063.db2.gz ZDGATUOGTVJJNU-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891003 179366064 /nfs/dbraw/zinc/36/60/64/179366064.db2.gz ZDGATUOGTVJJNU-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890385 179366373 /nfs/dbraw/zinc/36/63/73/179366373.db2.gz MFLGRBFCQNMDJT-KBXIAJHMSA-N 2 2 254.418 2.393 10 0 CEAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCC[C@@H](C)CC2)C[C@H](C)O1 ZINC000086890385 179366374 /nfs/dbraw/zinc/36/63/74/179366374.db2.gz MFLGRBFCQNMDJT-KBXIAJHMSA-N 2 2 254.418 2.393 10 0 CEAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)c1c(F)cc(F)cc1F ZINC000086996560 179376842 /nfs/dbraw/zinc/37/68/42/179376842.db2.gz DCUJLFQTQGTABP-JTQLQIEISA-N 2 2 255.243 2.330 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000087066142 179390979 /nfs/dbraw/zinc/39/09/79/179390979.db2.gz BVAUBAFMHYWUDA-CGZBRXJRSA-N 2 2 298.471 2.017 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000087066142 179390983 /nfs/dbraw/zinc/39/09/83/179390983.db2.gz BVAUBAFMHYWUDA-CGZBRXJRSA-N 2 2 298.471 2.017 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616626763 348539631 /nfs/dbraw/zinc/53/96/31/348539631.db2.gz AXNRKNZHNGZQLY-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616626763 348539634 /nfs/dbraw/zinc/53/96/34/348539634.db2.gz AXNRKNZHNGZQLY-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CC(=O)Nc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616526 348534724 /nfs/dbraw/zinc/53/47/24/348534724.db2.gz RJWBZNROHMPQNT-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP CC(=O)Nc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616526 348534727 /nfs/dbraw/zinc/53/47/27/348534727.db2.gz RJWBZNROHMPQNT-HNNXBMFYSA-N 2 2 261.369 2.131 10 0 CEAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616616412 348534986 /nfs/dbraw/zinc/53/49/86/348534986.db2.gz NDYMTJUVNNYTGM-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616616412 348534989 /nfs/dbraw/zinc/53/49/89/348534989.db2.gz NDYMTJUVNNYTGM-HNNXBMFYSA-N 2 2 256.353 2.116 10 0 CEAELP Nc1cccc([C@@H]2c3ccccc3CC[N@H+]2CC[NH3+])c1 ZINC000616678106 348558269 /nfs/dbraw/zinc/55/82/69/348558269.db2.gz BSSLYRHONUQYNH-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1cccc([C@@H]2c3ccccc3CC[N@@H+]2CC[NH3+])c1 ZINC000616678106 348558272 /nfs/dbraw/zinc/55/82/72/348558272.db2.gz BSSLYRHONUQYNH-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000090566771 180006228 /nfs/dbraw/zinc/00/62/28/180006228.db2.gz PVGPODPMMZZWGO-HOTGVXAUSA-N 2 2 260.381 2.017 10 0 CEAELP COC(=O)c1cc(NCC[N@H+](C)C2CCCC2)cc[nH+]1 ZINC000090738182 180034237 /nfs/dbraw/zinc/03/42/37/180034237.db2.gz MRZWWRABTKRLGE-UHFFFAOYSA-N 2 2 277.368 2.155 10 0 CEAELP COC(=O)c1cc(NCC[N@@H+](C)C2CCCC2)cc[nH+]1 ZINC000090738182 180034238 /nfs/dbraw/zinc/03/42/38/180034238.db2.gz MRZWWRABTKRLGE-UHFFFAOYSA-N 2 2 277.368 2.155 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875354 180050963 /nfs/dbraw/zinc/05/09/63/180050963.db2.gz RWSRGHBTPXPQRN-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875354 180050964 /nfs/dbraw/zinc/05/09/64/180050964.db2.gz RWSRGHBTPXPQRN-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875332 180051167 /nfs/dbraw/zinc/05/11/67/180051167.db2.gz QJHVDDRGEXRLGH-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875332 180051169 /nfs/dbraw/zinc/05/11/69/180051169.db2.gz QJHVDDRGEXRLGH-GJZGRUSLSA-N 2 2 260.381 2.064 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090901598 180059134 /nfs/dbraw/zinc/05/91/34/180059134.db2.gz CHBDCKXZAYMWSO-CABCVRRESA-N 2 2 285.391 2.475 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000091318498 180133802 /nfs/dbraw/zinc/13/38/02/180133802.db2.gz VUOQPQHUAOFICL-CYBMUJFWSA-N 2 2 297.468 2.201 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000091318498 180133803 /nfs/dbraw/zinc/13/38/03/180133803.db2.gz VUOQPQHUAOFICL-CYBMUJFWSA-N 2 2 297.468 2.201 10 0 CEAELP COCC[N@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091362525 180141821 /nfs/dbraw/zinc/14/18/21/180141821.db2.gz UJZHORMEOWGUCR-DZKIICNBSA-N 2 2 266.429 2.408 10 0 CEAELP COCC[N@@H+](C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC1 ZINC000091362525 180141822 /nfs/dbraw/zinc/14/18/22/180141822.db2.gz UJZHORMEOWGUCR-DZKIICNBSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091273573 180117915 /nfs/dbraw/zinc/11/79/15/180117915.db2.gz XLGPPWHVCDGASN-CVEARBPZSA-N 2 2 271.364 2.384 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275398 180118718 /nfs/dbraw/zinc/11/87/18/180118718.db2.gz CIRGXZVVJWHOHX-DOMZBBRYSA-N 2 2 262.401 2.210 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cncn1C1CC1 ZINC000091275398 180118719 /nfs/dbraw/zinc/11/87/19/180118719.db2.gz CIRGXZVVJWHOHX-DOMZBBRYSA-N 2 2 262.401 2.210 10 0 CEAELP CC(C)CCN(C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276346 180119882 /nfs/dbraw/zinc/11/98/82/180119882.db2.gz XJWFNBWFKWIUMH-CYBMUJFWSA-N 2 2 250.390 2.196 10 0 CEAELP CCC[NH2+][C@@H]1COc2cc(OCc3c[nH+]cn3C)ccc21 ZINC000091278470 180121060 /nfs/dbraw/zinc/12/10/60/180121060.db2.gz FNVNZUYUUCCMBB-OAHLLOKOSA-N 2 2 287.363 2.432 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461682 180161849 /nfs/dbraw/zinc/16/18/49/180161849.db2.gz XGMNXUDPUHVHGG-UCSXMVFBSA-N 2 2 280.387 2.307 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461682 180161850 /nfs/dbraw/zinc/16/18/50/180161850.db2.gz XGMNXUDPUHVHGG-UCSXMVFBSA-N 2 2 280.387 2.307 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000091402890 180147224 /nfs/dbraw/zinc/14/72/24/180147224.db2.gz HJKVAPKRBGVLEY-ZDUSSCGKSA-N 3 2 255.450 2.037 10 0 CEAELP C[NH2+][C@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCCCC1 ZINC000091568143 180194855 /nfs/dbraw/zinc/19/48/55/180194855.db2.gz PPOUGDXZIGCFNI-UONOGXRCSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](N)c1c[nH+]ccc1N ZINC000091573708 180196389 /nfs/dbraw/zinc/19/63/89/180196389.db2.gz FFUHCZBPPQPTKX-KGLIPLIRSA-N 2 2 250.390 2.174 10 0 CEAELP CCc1nn(C)c(C[C@@H]([NH2+]C)C(C)(C)[NH+](C)C)c1Cl ZINC000091528647 180181000 /nfs/dbraw/zinc/18/10/00/180181000.db2.gz AXHGPYMKWYHGQO-GFCCVEGCSA-N 2 2 286.851 2.107 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1c(C)ccnc1N ZINC000091716420 180232591 /nfs/dbraw/zinc/23/25/91/180232591.db2.gz QTTHWJLCUPLAGJ-ZDUSSCGKSA-N 2 2 264.417 2.355 10 0 CEAELP C[NH2+][C@@H](Cc1ccn(C2CCCCC2)n1)C[NH+](C)C ZINC000091719666 180234190 /nfs/dbraw/zinc/23/41/90/180234190.db2.gz VAPZTSVBGLRKEY-AWEZNQCLSA-N 2 2 264.417 2.080 10 0 CEAELP CC[NH2+][C@@H](CCc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000091719760 180234527 /nfs/dbraw/zinc/23/45/27/180234527.db2.gz RYCQXICPKOWMQS-HNNXBMFYSA-N 2 2 262.397 2.094 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721305 180237838 /nfs/dbraw/zinc/23/78/38/180237838.db2.gz YWDFQRNNMYKPJF-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1cccc(C)c1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721305 180237840 /nfs/dbraw/zinc/23/78/40/180237840.db2.gz YWDFQRNNMYKPJF-HYVNUMGLSA-N 2 2 274.408 2.427 10 0 CEAELP C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054403 180313828 /nfs/dbraw/zinc/31/38/28/180313828.db2.gz IUROUQMIUBUNEH-JQWIXIFHSA-N 2 2 284.787 2.069 10 0 CEAELP C[C@H]([NH3+])c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054403 180313829 /nfs/dbraw/zinc/31/38/29/180313829.db2.gz IUROUQMIUBUNEH-JQWIXIFHSA-N 2 2 284.787 2.069 10 0 CEAELP Cc1cc(N[C@@H](CC(C)C)C[NH+](C)C)[nH+]cc1N ZINC000092027012 180308680 /nfs/dbraw/zinc/30/86/80/180308680.db2.gz JUIHVKCLWHGEEF-LBPRGKRZSA-N 2 2 250.390 2.360 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)cc1F ZINC000092082307 180319294 /nfs/dbraw/zinc/31/92/94/180319294.db2.gz MDWVQPIAFADPOJ-WDMOLILDSA-N 2 2 266.360 2.422 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)cc1F ZINC000092082307 180319296 /nfs/dbraw/zinc/31/92/96/180319296.db2.gz MDWVQPIAFADPOJ-WDMOLILDSA-N 2 2 266.360 2.422 10 0 CEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366933 180369106 /nfs/dbraw/zinc/36/91/06/180369106.db2.gz HNJKJALUSHQIFL-RAIGVLPGSA-N 2 2 265.788 2.165 10 0 CEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366933 180369107 /nfs/dbraw/zinc/36/91/07/180369107.db2.gz HNJKJALUSHQIFL-RAIGVLPGSA-N 2 2 265.788 2.165 10 0 CEAELP CCCNc1cccc(CN2CC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000092370565 180369679 /nfs/dbraw/zinc/36/96/79/180369679.db2.gz VJMFKOVUANBALV-AWEZNQCLSA-N 2 2 262.401 2.039 10 0 CEAELP CCCNc1cc[nH+]c(C[NH+]2CCC(C(=O)OC)CC2)c1 ZINC000092417868 180381205 /nfs/dbraw/zinc/38/12/05/180381205.db2.gz UVTYXCGVLUGFFR-UHFFFAOYSA-N 2 2 291.395 2.289 10 0 CEAELP CNc1cc[nH+]c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092419294 180381966 /nfs/dbraw/zinc/38/19/66/180381966.db2.gz NPSOWPKMSOZBMI-PHIMTYICSA-N 2 2 251.399 2.449 10 0 CEAELP CNc1cc[nH+]c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1 ZINC000092419294 180381967 /nfs/dbraw/zinc/38/19/67/180381967.db2.gz NPSOWPKMSOZBMI-PHIMTYICSA-N 2 2 251.399 2.449 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccccc2)nc[nH+]1 ZINC000109070090 186242058 /nfs/dbraw/zinc/24/20/58/186242058.db2.gz XKPHJGKSRLYKGI-OAHLLOKOSA-N 2 2 297.406 2.277 10 0 CEAELP CCOC(=O)C[N@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000109604328 186267967 /nfs/dbraw/zinc/26/79/67/186267967.db2.gz ZCJXVCYTDCLSGV-UHFFFAOYSA-N 2 2 282.359 2.058 10 0 CEAELP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1C[NH3+])C(C)C ZINC000109604328 186267968 /nfs/dbraw/zinc/26/79/68/186267968.db2.gz ZCJXVCYTDCLSGV-UHFFFAOYSA-N 2 2 282.359 2.058 10 0 CEAELP CCC[N@H+](CC(=O)OCC)[C@H](CC[NH3+])c1ccccc1 ZINC000109684934 186268850 /nfs/dbraw/zinc/26/88/50/186268850.db2.gz IIRILCVJHWAWNR-OAHLLOKOSA-N 2 2 278.396 2.352 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)[C@H](CC[NH3+])c1ccccc1 ZINC000109684934 186268852 /nfs/dbraw/zinc/26/88/52/186268852.db2.gz IIRILCVJHWAWNR-OAHLLOKOSA-N 2 2 278.396 2.352 10 0 CEAELP C[C@H]([NH3+])C1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000110649314 186309735 /nfs/dbraw/zinc/30/97/35/186309735.db2.gz ZIHXLHKNBKNZIC-JTQLQIEISA-N 2 2 292.408 2.357 10 0 CEAELP CCOc1cc([N@H+](C)CC2CC[NH+](C)CC2)ccc1N ZINC000111056309 186349344 /nfs/dbraw/zinc/34/93/44/186349344.db2.gz WJIPGOHOSNUXPO-UHFFFAOYSA-N 2 2 277.412 2.446 10 0 CEAELP CCOc1cc([N@@H+](C)CC2CC[NH+](C)CC2)ccc1N ZINC000111056309 186349346 /nfs/dbraw/zinc/34/93/46/186349346.db2.gz WJIPGOHOSNUXPO-UHFFFAOYSA-N 2 2 277.412 2.446 10 0 CEAELP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccccc2OC)CCCOC1 ZINC000111327280 186398762 /nfs/dbraw/zinc/39/87/62/186398762.db2.gz AZTWXAJYWBADMN-KRWDZBQOSA-N 2 2 292.423 2.143 10 0 CEAELP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccc2OC)CCCOC1 ZINC000111327280 186398763 /nfs/dbraw/zinc/39/87/63/186398763.db2.gz AZTWXAJYWBADMN-KRWDZBQOSA-N 2 2 292.423 2.143 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000111238864 186375204 /nfs/dbraw/zinc/37/52/04/186375204.db2.gz WVFZJEOEVWHPIC-CQSZACIVSA-N 2 2 254.349 2.184 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1cccc(F)c1 ZINC000111238864 186375205 /nfs/dbraw/zinc/37/52/05/186375205.db2.gz WVFZJEOEVWHPIC-CQSZACIVSA-N 2 2 254.349 2.184 10 0 CEAELP C[C@H]1C[NH2+]C[C@H]1c1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000111255808 186379583 /nfs/dbraw/zinc/37/95/83/186379583.db2.gz OAMHBSGDXQSVRV-VHSXEESVSA-N 2 2 273.336 2.047 10 0 CEAELP CC[C@@H]([NH3+])Cc1ccc(N(C)Cc2[nH+]ccn2C)c(F)c1 ZINC000111500169 186424910 /nfs/dbraw/zinc/42/49/10/186424910.db2.gz KRTPGNMOUOJUOD-CYBMUJFWSA-N 2 2 290.386 2.475 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796283 363001369 /nfs/dbraw/zinc/00/13/69/363001369.db2.gz QQXGALQCTGPRTA-OIBJUYFYSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cc(Br)cs1 ZINC000069796283 363001374 /nfs/dbraw/zinc/00/13/74/363001374.db2.gz QQXGALQCTGPRTA-OIBJUYFYSA-N 2 2 275.215 2.462 10 0 CEAELP CCc1ccc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366207 351713505 /nfs/dbraw/zinc/71/35/05/351713505.db2.gz UICQINMPYMVRFK-JKSUJKDBSA-N 2 2 262.397 2.187 10 0 CEAELP CCc1ccc(C[N@H+]2C[C@@H](OC)C[C@]2(C)C[NH3+])cc1 ZINC000630366207 351713508 /nfs/dbraw/zinc/71/35/08/351713508.db2.gz UICQINMPYMVRFK-JKSUJKDBSA-N 2 2 262.397 2.187 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261595214 282929430 /nfs/dbraw/zinc/92/94/30/282929430.db2.gz NZPSJKXGOWQPCV-GFCCVEGCSA-N 2 2 271.286 2.290 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955154 540650406 /nfs/dbraw/zinc/65/04/06/540650406.db2.gz UUKZJVFSPQPXMZ-CYBMUJFWSA-N 2 2 297.443 2.198 10 0 CEAELP CC(C)[N@H+]1CC[C@@H]([NH3+])C12CCN(C(=O)OC(C)(C)C)CC2 ZINC000685955154 540650410 /nfs/dbraw/zinc/65/04/10/540650410.db2.gz UUKZJVFSPQPXMZ-CYBMUJFWSA-N 2 2 297.443 2.198 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1F ZINC000151242997 366633015 /nfs/dbraw/zinc/63/30/15/366633015.db2.gz WFIAFMLUDSQVPS-KBPBESRZSA-N 2 2 280.387 2.323 10 0 CEAELP O[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000151245990 366633713 /nfs/dbraw/zinc/63/37/13/366633713.db2.gz NYPHKYQIOAPBBQ-RDJZCZTQSA-N 2 2 292.398 2.249 10 0 CEAELP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151349862 366641072 /nfs/dbraw/zinc/64/10/72/366641072.db2.gz DLFIOUXKJAOLPH-KGLIPLIRSA-N 2 2 280.412 2.339 10 0 CEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000177245013 189038868 /nfs/dbraw/zinc/03/88/68/189038868.db2.gz FXYVVWMQLCWNHO-ZBFHGGJFSA-N 2 2 292.423 2.193 10 0 CEAELP CCc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)C[NH3+])cc1 ZINC000026509473 361643396 /nfs/dbraw/zinc/64/33/96/361643396.db2.gz TYEKHRLTZKLKBN-MRXNPFEDSA-N 2 2 288.391 2.164 10 0 CEAELP CCc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)C[NH3+])cc1 ZINC000026509473 361643400 /nfs/dbraw/zinc/64/34/00/361643400.db2.gz TYEKHRLTZKLKBN-MRXNPFEDSA-N 2 2 288.391 2.164 10 0 CEAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095072293 364332385 /nfs/dbraw/zinc/33/23/85/364332385.db2.gz MAIYHRUBZZNRPA-RKDXNWHRSA-N 2 2 275.183 2.143 10 0 CEAELP Cn1cccc1C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644545 367583946 /nfs/dbraw/zinc/58/39/46/367583946.db2.gz ODNAQEXZUPSREI-CQSZACIVSA-N 2 2 298.390 2.037 10 0 CEAELP Cn1cccc1C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644545 367583952 /nfs/dbraw/zinc/58/39/52/367583952.db2.gz ODNAQEXZUPSREI-CQSZACIVSA-N 2 2 298.390 2.037 10 0 CEAELP c1cn(CCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c[nH+]1 ZINC000182910255 368598636 /nfs/dbraw/zinc/59/86/36/368598636.db2.gz RNQWOJHUCBKDPW-AWEZNQCLSA-N 2 2 259.357 2.224 10 0 CEAELP c1cn(CCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)c[nH+]1 ZINC000182910255 368598638 /nfs/dbraw/zinc/59/86/38/368598638.db2.gz RNQWOJHUCBKDPW-AWEZNQCLSA-N 2 2 259.357 2.224 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000246043183 370902285 /nfs/dbraw/zinc/90/22/85/370902285.db2.gz OHMLTSWYPJCXCT-KGLIPLIRSA-N 2 2 288.395 2.481 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc[nH+]cc1C ZINC000246043183 370902287 /nfs/dbraw/zinc/90/22/87/370902287.db2.gz OHMLTSWYPJCXCT-KGLIPLIRSA-N 2 2 288.395 2.481 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[C@H](C)C2)nc[nH+]1 ZINC000246118653 370912050 /nfs/dbraw/zinc/91/20/50/370912050.db2.gz IXBCOTXSCQUVTE-MELADBBJSA-N 2 2 289.427 2.265 10 0 CEAELP CC(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478108 369628008 /nfs/dbraw/zinc/62/80/08/369628008.db2.gz NAIOTRMRDAVQKF-MRXNPFEDSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190478108 369628013 /nfs/dbraw/zinc/62/80/13/369628013.db2.gz NAIOTRMRDAVQKF-MRXNPFEDSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190478108 369628017 /nfs/dbraw/zinc/62/80/17/369628017.db2.gz NAIOTRMRDAVQKF-MRXNPFEDSA-N 2 2 261.413 2.491 10 0 CEAELP CC(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190478108 369628024 /nfs/dbraw/zinc/62/80/24/369628024.db2.gz NAIOTRMRDAVQKF-MRXNPFEDSA-N 2 2 261.413 2.491 10 0 CEAELP Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000231669246 189814575 /nfs/dbraw/zinc/81/45/75/189814575.db2.gz IJAJAFJUQCWZOU-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000231669246 189814576 /nfs/dbraw/zinc/81/45/76/189814576.db2.gz IJAJAFJUQCWZOU-OAHLLOKOSA-N 2 2 289.423 2.316 10 0 CEAELP CC1CCC(N(C)C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000231670385 370486854 /nfs/dbraw/zinc/48/68/54/370486854.db2.gz HXLITFJOEFWCAR-HWOWSKLDSA-N 2 2 295.471 2.097 10 0 CEAELP CC1CCC(N(C)C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000231670385 370486860 /nfs/dbraw/zinc/48/68/60/370486860.db2.gz HXLITFJOEFWCAR-HWOWSKLDSA-N 2 2 295.471 2.097 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679764 370573590 /nfs/dbraw/zinc/57/35/90/370573590.db2.gz IKQIJRPFEXQMTM-HOCLYGCPSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679764 370573595 /nfs/dbraw/zinc/57/35/95/370573595.db2.gz IKQIJRPFEXQMTM-HOCLYGCPSA-N 2 2 262.397 2.351 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)C12CCOCC2 ZINC000249007021 371281731 /nfs/dbraw/zinc/28/17/31/371281731.db2.gz OBUATMNGUNFVML-OWCLPIDISA-N 2 2 296.455 2.035 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)C12CCOCC2 ZINC000249007021 371281739 /nfs/dbraw/zinc/28/17/39/371281739.db2.gz OBUATMNGUNFVML-OWCLPIDISA-N 2 2 296.455 2.035 10 0 CEAELP CCC[N@H+](CCc1cccc(F)c1)Cc1noc(C[NH3+])n1 ZINC000261823774 371743494 /nfs/dbraw/zinc/74/34/94/371743494.db2.gz SJSSNENYAXGGNF-UHFFFAOYSA-N 2 2 292.358 2.122 10 0 CEAELP CCC[N@@H+](CCc1cccc(F)c1)Cc1noc(C[NH3+])n1 ZINC000261823774 371743507 /nfs/dbraw/zinc/74/35/07/371743507.db2.gz SJSSNENYAXGGNF-UHFFFAOYSA-N 2 2 292.358 2.122 10 0 CEAELP Cn1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000261917237 371769166 /nfs/dbraw/zinc/76/91/66/371769166.db2.gz JYQWXWBIRMWGFO-CYBMUJFWSA-N 2 2 290.436 2.462 10 0 CEAELP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000261917237 371769172 /nfs/dbraw/zinc/76/91/72/371769172.db2.gz JYQWXWBIRMWGFO-CYBMUJFWSA-N 2 2 290.436 2.462 10 0 CEAELP [NH3+]Cc1nc(C[NH2+][C@@H](c2ccccc2)C2CCC2)no1 ZINC000262149886 371831493 /nfs/dbraw/zinc/83/14/93/371831493.db2.gz FVZOCAUAEBSDBS-HNNXBMFYSA-N 2 2 272.352 2.159 10 0 CEAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1scnc1C1CC1 ZINC000261995480 371795483 /nfs/dbraw/zinc/79/54/83/371795483.db2.gz STVSIKKCVFEKDG-NSHDSACASA-N 2 2 251.399 2.334 10 0 CEAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1scnc1C1CC1 ZINC000261995480 371795488 /nfs/dbraw/zinc/79/54/88/371795488.db2.gz STVSIKKCVFEKDG-NSHDSACASA-N 2 2 251.399 2.334 10 0 CEAELP C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000262032265 371804951 /nfs/dbraw/zinc/80/49/51/371804951.db2.gz XIRRVMGXAHZFEF-SNVBAGLBSA-N 2 2 276.306 2.002 10 0 CEAELP C[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000262032265 371804964 /nfs/dbraw/zinc/80/49/64/371804964.db2.gz XIRRVMGXAHZFEF-SNVBAGLBSA-N 2 2 276.306 2.002 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262048372 371811450 /nfs/dbraw/zinc/81/14/50/371811450.db2.gz QAAUTUQZHOSCGA-PXAZEXFGSA-N 2 2 284.407 2.268 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262048372 371811454 /nfs/dbraw/zinc/81/14/54/371811454.db2.gz QAAUTUQZHOSCGA-PXAZEXFGSA-N 2 2 284.407 2.268 10 0 CEAELP CC[C@@H](C)[N@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116172 371824857 /nfs/dbraw/zinc/82/48/57/371824857.db2.gz BKJHJVGLBCYEQD-GFCCVEGCSA-N 2 2 274.368 2.329 10 0 CEAELP CC[C@@H](C)[N@@H+](Cc1noc(C[NH3+])n1)Cc1ccccc1 ZINC000262116172 371824865 /nfs/dbraw/zinc/82/48/65/371824865.db2.gz BKJHJVGLBCYEQD-GFCCVEGCSA-N 2 2 274.368 2.329 10 0 CEAELP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000262653176 371890946 /nfs/dbraw/zinc/89/09/46/371890946.db2.gz SJWWZUYYHFQWGL-GXFFZTMASA-N 2 2 272.352 2.389 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000361661561 372011040 /nfs/dbraw/zinc/01/10/40/372011040.db2.gz GLDKOLXISWQMFA-LZWOXQAQSA-N 2 2 262.397 2.131 10 0 CEAELP C[C@H](COCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000361661561 372011047 /nfs/dbraw/zinc/01/10/47/372011047.db2.gz GLDKOLXISWQMFA-LZWOXQAQSA-N 2 2 262.397 2.131 10 0 CEAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]c(C)c2)nc[nH+]1 ZINC000274335554 373885385 /nfs/dbraw/zinc/88/53/85/373885385.db2.gz GYBGCMLKWXGGNN-CQSZACIVSA-N 2 2 298.394 2.303 10 0 CEAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]c(C)c2)[nH+]cn1 ZINC000274335554 373885392 /nfs/dbraw/zinc/88/53/92/373885392.db2.gz GYBGCMLKWXGGNN-CQSZACIVSA-N 2 2 298.394 2.303 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283184 375300550 /nfs/dbraw/zinc/30/05/50/375300550.db2.gz VDFCIVXBIWBCCW-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000389283184 375300557 /nfs/dbraw/zinc/30/05/57/375300557.db2.gz VDFCIVXBIWBCCW-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319730824 376817818 /nfs/dbraw/zinc/81/78/18/376817818.db2.gz VLWRYHWEWZMIDQ-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]CC2(OC)CCCCC2)C1 ZINC000319730824 376817828 /nfs/dbraw/zinc/81/78/28/376817828.db2.gz VLWRYHWEWZMIDQ-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP COC[C@H](C)C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000188217513 542320662 /nfs/dbraw/zinc/32/06/62/542320662.db2.gz POSNLXFRPLQQHM-CABCVRRESA-N 2 2 264.413 2.379 10 0 CEAELP COC[C@H](C)C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188217513 542320666 /nfs/dbraw/zinc/32/06/66/542320666.db2.gz POSNLXFRPLQQHM-CABCVRRESA-N 2 2 264.413 2.379 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cocn3)C2)[nH+]1 ZINC000191939270 130332807 /nfs/dbraw/zinc/33/28/07/130332807.db2.gz ZRVHUOUGAVPOFC-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cocn3)C2)[nH+]1 ZINC000191939270 130332810 /nfs/dbraw/zinc/33/28/10/130332810.db2.gz ZRVHUOUGAVPOFC-CYBMUJFWSA-N 2 2 272.352 2.312 10 0 CEAELP CC[C@H](C)[C@@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000037228052 134834724 /nfs/dbraw/zinc/83/47/24/134834724.db2.gz RJGJCLJCVOVAKR-GOEBONIOSA-N 2 2 261.413 2.182 10 0 CEAELP C[NH+](C)c1ccc(N2CC[NH2+][C@@](C)(C3CC3)C2)cc1 ZINC000086128222 135039229 /nfs/dbraw/zinc/03/92/29/135039229.db2.gz JOWPIRAEOCZISL-MRXNPFEDSA-N 2 2 259.397 2.331 10 0 CEAELP CC[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000087535341 135050901 /nfs/dbraw/zinc/05/09/01/135050901.db2.gz ADZYQQSVFUOILL-CYBMUJFWSA-N 2 2 281.831 2.447 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019912 394975087 /nfs/dbraw/zinc/97/50/87/394975087.db2.gz MSWFIYXIJHHBSX-NVXWUHKLSA-N 2 2 274.408 2.326 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CCO1 ZINC000151019912 394975088 /nfs/dbraw/zinc/97/50/88/394975088.db2.gz MSWFIYXIJHHBSX-NVXWUHKLSA-N 2 2 274.408 2.326 10 0 CEAELP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000186417125 395290695 /nfs/dbraw/zinc/29/06/95/395290695.db2.gz QRSGFNURBZLDDG-ARFHVFGLSA-N 2 2 266.429 2.241 10 0 CEAELP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000186417125 395290701 /nfs/dbraw/zinc/29/07/01/395290701.db2.gz QRSGFNURBZLDDG-ARFHVFGLSA-N 2 2 266.429 2.241 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000189218265 153087358 /nfs/dbraw/zinc/08/73/58/153087358.db2.gz XUONCZIQADDXBY-LBPRGKRZSA-N 2 2 287.354 2.364 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000189218265 153087362 /nfs/dbraw/zinc/08/73/62/153087362.db2.gz XUONCZIQADDXBY-LBPRGKRZSA-N 2 2 287.354 2.364 10 0 CEAELP CO[C@H]1CC[N@H+](Cc2coc3ccccc23)[C@H](C[NH3+])C1 ZINC000167164661 162357623 /nfs/dbraw/zinc/35/76/23/162357623.db2.gz RFHOKODPOITYRY-KBPBESRZSA-N 2 2 274.364 2.371 10 0 CEAELP CO[C@H]1CC[N@@H+](Cc2coc3ccccc23)[C@H](C[NH3+])C1 ZINC000167164661 162357627 /nfs/dbraw/zinc/35/76/27/162357627.db2.gz RFHOKODPOITYRY-KBPBESRZSA-N 2 2 274.364 2.371 10 0 CEAELP CCSCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178288196 165230849 /nfs/dbraw/zinc/23/08/49/165230849.db2.gz XDNQMSWFSLKRBW-ZDUSSCGKSA-N 2 2 253.415 2.409 10 0 CEAELP CCSCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178288196 165230853 /nfs/dbraw/zinc/23/08/53/165230853.db2.gz XDNQMSWFSLKRBW-ZDUSSCGKSA-N 2 2 253.415 2.409 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000182076603 165361562 /nfs/dbraw/zinc/36/15/62/165361562.db2.gz IIFWPGGXERWQJS-LSDHHAIUSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000182076603 165361564 /nfs/dbraw/zinc/36/15/64/165361564.db2.gz IIFWPGGXERWQJS-LSDHHAIUSA-N 2 2 284.407 2.393 10 0 CEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226353 171091553 /nfs/dbraw/zinc/09/15/53/171091553.db2.gz IXZMZHILVTUUMV-GFCCVEGCSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000020226353 171091557 /nfs/dbraw/zinc/09/15/57/171091557.db2.gz IXZMZHILVTUUMV-GFCCVEGCSA-N 2 2 252.358 2.045 10 0 CEAELP C[NH+](C)[C@H](C[NH3+])COc1cccc(C(C)(C)C)c1 ZINC000020400054 171181813 /nfs/dbraw/zinc/18/18/13/171181813.db2.gz ZGOUOCFMSZJABQ-CYBMUJFWSA-N 2 2 250.386 2.252 10 0 CEAELP CCOc1cc([C@@H](C[NH3+])[NH+](C)C)ccc1OC(F)F ZINC000022177380 171371310 /nfs/dbraw/zinc/37/13/10/171371310.db2.gz CZXOYEWFTAGHQX-SNVBAGLBSA-N 2 2 274.311 2.248 10 0 CEAELP C[C@H](C[NH2+][C@H](C)c1cc[nH]n1)C[NH+]1CCCCC1 ZINC000038041606 174043674 /nfs/dbraw/zinc/04/36/74/174043674.db2.gz NUCOFZMDKUDUMJ-CHWSQXEVSA-N 2 2 250.390 2.182 10 0 CEAELP C[C@@H](CN[C@@H](c1cccs1)c1[nH+]ccn1C)[NH+](C)C ZINC000038087559 174099738 /nfs/dbraw/zinc/09/97/38/174099738.db2.gz YNFYFWSBPMHXCD-AAEUAGOBSA-N 2 2 278.425 2.111 10 0 CEAELP CCOC1CC[NH+](C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000040690175 174376895 /nfs/dbraw/zinc/37/68/95/174376895.db2.gz ZCDINIOIMDPGKO-LZWOXQAQSA-N 2 2 266.429 2.408 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693673 174377414 /nfs/dbraw/zinc/37/74/14/174377414.db2.gz OJVHXTWCODGJGU-GOEBONIOSA-N 3 2 265.445 2.064 10 0 CEAELP CC[N@H+](Cc1ccc(C(=O)OC)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748289 174393062 /nfs/dbraw/zinc/39/30/62/174393062.db2.gz KVLHJDZMPGGTRG-FUNVUKJBSA-N 2 2 292.379 2.171 10 0 CEAELP CC[N@@H+](Cc1ccc(C(=O)OC)o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748289 174393063 /nfs/dbraw/zinc/39/30/63/174393063.db2.gz KVLHJDZMPGGTRG-FUNVUKJBSA-N 2 2 292.379 2.171 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043045165 174956510 /nfs/dbraw/zinc/95/65/10/174956510.db2.gz LEFPIZCRPUFFGH-SUMWQHHRSA-N 3 2 293.430 2.488 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2cccnc2)[C@@H]([NH3+])CC)CC1 ZINC000043347180 175018143 /nfs/dbraw/zinc/01/81/43/175018143.db2.gz BPDINRYHXPKBGC-HOTGVXAUSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043347568 175018157 /nfs/dbraw/zinc/01/81/57/175018157.db2.gz AZGSIRXMPYTSDP-ARFHVFGLSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043347568 175018158 /nfs/dbraw/zinc/01/81/58/175018158.db2.gz AZGSIRXMPYTSDP-ARFHVFGLSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCOC)CC(C)C ZINC000043354387 175021365 /nfs/dbraw/zinc/02/13/65/175021365.db2.gz OYNIOHCCKLNUTQ-JKSUJKDBSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCOC)CC(C)C ZINC000043354387 175021367 /nfs/dbraw/zinc/02/13/67/175021367.db2.gz OYNIOHCCKLNUTQ-JKSUJKDBSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@H+](C)C1CCOCC1 ZINC000043364462 175025840 /nfs/dbraw/zinc/02/58/40/175025840.db2.gz YWRCEUFKVPPQKT-ZFWWWQNUSA-N 2 2 266.385 2.477 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[N@@H+](C)C1CCOCC1 ZINC000043364462 175025842 /nfs/dbraw/zinc/02/58/42/175025842.db2.gz YWRCEUFKVPPQKT-ZFWWWQNUSA-N 2 2 266.385 2.477 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CCCC[C@@H]1CC ZINC000043883513 175116272 /nfs/dbraw/zinc/11/62/72/175116272.db2.gz DNFNFMKZNLLRMN-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1CCCC[C@@H]1CC ZINC000043883513 175116273 /nfs/dbraw/zinc/11/62/73/175116273.db2.gz DNFNFMKZNLLRMN-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1[N@H+](C)CCOC ZINC000043916092 175124931 /nfs/dbraw/zinc/12/49/31/175124931.db2.gz VOUIYVPCSTUJKY-DLBZAZTESA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1[N@@H+](C)CCOC ZINC000043916092 175124933 /nfs/dbraw/zinc/12/49/33/175124933.db2.gz VOUIYVPCSTUJKY-DLBZAZTESA-N 2 2 292.423 2.239 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C1CCC(C)CC1)OCCO2 ZINC000043966980 175127750 /nfs/dbraw/zinc/12/77/50/175127750.db2.gz YSEBKTJMSGMWAY-CKUJCDMFSA-N 2 2 296.455 2.381 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCC(C)CC1)OCCO2 ZINC000043966980 175127752 /nfs/dbraw/zinc/12/77/52/175127752.db2.gz YSEBKTJMSGMWAY-CKUJCDMFSA-N 2 2 296.455 2.381 10 0 CEAELP CCOc1ccc([C@@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121165 175142661 /nfs/dbraw/zinc/14/26/61/175142661.db2.gz IWOFGWJBZZSEMO-KRWDZBQOSA-N 2 2 292.423 2.145 10 0 CEAELP CCOc1ccc([C@@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000044121165 175142662 /nfs/dbraw/zinc/14/26/62/175142662.db2.gz IWOFGWJBZZSEMO-KRWDZBQOSA-N 2 2 292.423 2.145 10 0 CEAELP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000044992705 175287001 /nfs/dbraw/zinc/28/70/01/175287001.db2.gz YZCFOFUFYYCLQL-ILXRZTDVSA-N 2 2 254.418 2.144 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043327 175295081 /nfs/dbraw/zinc/29/50/81/175295081.db2.gz BNGWUFNAIVHBBN-ZNMIVQPWSA-N 2 2 254.418 2.252 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045043327 175295082 /nfs/dbraw/zinc/29/50/82/175295082.db2.gz BNGWUFNAIVHBBN-ZNMIVQPWSA-N 2 2 254.418 2.252 10 0 CEAELP CC(C)[NH2+]Cc1sccc1C[NH+]1CCOCC1 ZINC000045205685 175327992 /nfs/dbraw/zinc/32/79/92/175327992.db2.gz RNESWFYUBHAENU-UHFFFAOYSA-N 2 2 254.399 2.078 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376144 175366422 /nfs/dbraw/zinc/36/64/22/175366422.db2.gz JESDGYOXKQNMOW-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@@](C)(CCC[N@H+]1CCCC[C@@H]1C)C(=O)OC ZINC000045376144 175366424 /nfs/dbraw/zinc/36/64/24/175366424.db2.gz JESDGYOXKQNMOW-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)OC ZINC000045378350 175367386 /nfs/dbraw/zinc/36/73/86/175367386.db2.gz NXSXRLPVODQNDL-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+](CC)c1cccc(C)c1)C(N)=O ZINC000045420058 175378447 /nfs/dbraw/zinc/37/84/47/175378447.db2.gz XLDNWDDGIMCPFL-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+](CC)c1cccc(C)c1)C(N)=O ZINC000045420058 175378449 /nfs/dbraw/zinc/37/84/49/175378449.db2.gz XLDNWDDGIMCPFL-QGZVFWFLSA-N 2 2 291.439 2.455 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)C1 ZINC000071123453 176035177 /nfs/dbraw/zinc/03/51/77/176035177.db2.gz KMTLUNOVMSXAMQ-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+]2CCOC(C)(C)C2)C1 ZINC000071123453 176035178 /nfs/dbraw/zinc/03/51/78/176035178.db2.gz KMTLUNOVMSXAMQ-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@H+](CCCOC)CCOC ZINC000071161922 176046380 /nfs/dbraw/zinc/04/63/80/176046380.db2.gz KNSRLTBGGHZJBT-JKSUJKDBSA-N 2 2 286.460 2.269 10 0 CEAELP CC[C@H]1CCCC[C@]1(C[NH3+])[N@@H+](CCCOC)CCOC ZINC000071161922 176046381 /nfs/dbraw/zinc/04/63/81/176046381.db2.gz KNSRLTBGGHZJBT-JKSUJKDBSA-N 2 2 286.460 2.269 10 0 CEAELP COc1ccc(C[C@@](C)(C[NH3+])[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000071169179 176049702 /nfs/dbraw/zinc/04/97/02/176049702.db2.gz DFFNTAVSQZWSES-IRXDYDNUSA-N 2 2 292.423 2.066 10 0 CEAELP COc1ccc(C[C@@](C)(C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000071169179 176049703 /nfs/dbraw/zinc/04/97/03/176049703.db2.gz DFFNTAVSQZWSES-IRXDYDNUSA-N 2 2 292.423 2.066 10 0 CEAELP C[N@H+](CCC(=O)c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189854 176065530 /nfs/dbraw/zinc/06/55/30/176065530.db2.gz PCGKUXKFTDNTSQ-CYBMUJFWSA-N 2 2 278.371 2.282 10 0 CEAELP C[N@@H+](CCC(=O)c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189854 176065531 /nfs/dbraw/zinc/06/55/31/176065531.db2.gz PCGKUXKFTDNTSQ-CYBMUJFWSA-N 2 2 278.371 2.282 10 0 CEAELP C[NH+](CCC(=O)c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189854 176065533 /nfs/dbraw/zinc/06/55/33/176065533.db2.gz PCGKUXKFTDNTSQ-CYBMUJFWSA-N 2 2 278.371 2.282 10 0 CEAELP C[NH+](CCC(=O)c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189854 176065534 /nfs/dbraw/zinc/06/55/34/176065534.db2.gz PCGKUXKFTDNTSQ-CYBMUJFWSA-N 2 2 278.371 2.282 10 0 CEAELP C[NH2+]C[C@@](C)(C[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191461 176069274 /nfs/dbraw/zinc/06/92/74/176069274.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191461 176069275 /nfs/dbraw/zinc/06/92/75/176069275.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@@](C)(C[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191461 176069276 /nfs/dbraw/zinc/06/92/76/176069276.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 3 2 289.467 2.047 10 0 CEAELP C[NH2+]C[C@@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191461 176069277 /nfs/dbraw/zinc/06/92/77/176069277.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 3 2 289.467 2.047 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191382 176070470 /nfs/dbraw/zinc/07/04/70/176070470.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191382 176070471 /nfs/dbraw/zinc/07/04/71/176070471.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191382 176070473 /nfs/dbraw/zinc/07/04/73/176070473.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191382 176070474 /nfs/dbraw/zinc/07/04/74/176070474.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191521 176070762 /nfs/dbraw/zinc/07/07/62/176070762.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191521 176070764 /nfs/dbraw/zinc/07/07/64/176070764.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191521 176070765 /nfs/dbraw/zinc/07/07/65/176070765.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 3 2 269.477 2.286 10 0 CEAELP CC[NH2+]CC(CC)(CC)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191521 176070767 /nfs/dbraw/zinc/07/07/67/176070767.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 3 2 269.477 2.286 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191829 176071159 /nfs/dbraw/zinc/07/11/59/176071159.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191829 176071161 /nfs/dbraw/zinc/07/11/61/176071161.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191829 176071164 /nfs/dbraw/zinc/07/11/64/176071164.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000071191829 176071166 /nfs/dbraw/zinc/07/11/66/176071166.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 3 2 279.428 2.161 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191956 176072594 /nfs/dbraw/zinc/07/25/94/176072594.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191956 176072595 /nfs/dbraw/zinc/07/25/95/176072595.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191956 176072596 /nfs/dbraw/zinc/07/25/96/176072596.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191956 176072597 /nfs/dbraw/zinc/07/25/97/176072597.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192088 176073995 /nfs/dbraw/zinc/07/39/95/176073995.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192088 176073997 /nfs/dbraw/zinc/07/39/97/176073997.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192088 176073999 /nfs/dbraw/zinc/07/39/99/176073999.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071192088 176074000 /nfs/dbraw/zinc/07/40/00/176074000.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071312312 176119327 /nfs/dbraw/zinc/11/93/27/176119327.db2.gz JFFPULVVFOZSCF-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP CC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@H]1CC[NH2+]C1 ZINC000071312312 176119328 /nfs/dbraw/zinc/11/93/28/176119328.db2.gz JFFPULVVFOZSCF-AWEZNQCLSA-N 2 2 276.380 2.032 10 0 CEAELP CCC[N@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071314870 176121192 /nfs/dbraw/zinc/12/11/92/176121192.db2.gz UIISZUGATUAGHZ-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CCC[N@@H+](Cc1ccc2c(c1)OCCCO2)[C@@H]1CC[NH2+]C1 ZINC000071314870 176121193 /nfs/dbraw/zinc/12/11/93/176121193.db2.gz UIISZUGATUAGHZ-OAHLLOKOSA-N 2 2 290.407 2.422 10 0 CEAELP CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000071342689 176130565 /nfs/dbraw/zinc/13/05/65/176130565.db2.gz NJYVVWBNYCSRDK-HNNXBMFYSA-N 2 2 278.444 2.372 10 0 CEAELP CC(C)C[C@H]1CNC(C)(C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000071342689 176130566 /nfs/dbraw/zinc/13/05/66/176130566.db2.gz NJYVVWBNYCSRDK-HNNXBMFYSA-N 2 2 278.444 2.372 10 0 CEAELP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@H]1CC(C)C ZINC000071342721 176130683 /nfs/dbraw/zinc/13/06/83/176130683.db2.gz BMHQAZALJHXTFC-OAHLLOKOSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000071342721 176130684 /nfs/dbraw/zinc/13/06/84/176130684.db2.gz BMHQAZALJHXTFC-OAHLLOKOSA-N 2 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)NC[C@H]1CC(C)C ZINC000071342721 176130685 /nfs/dbraw/zinc/13/06/85/176130685.db2.gz BMHQAZALJHXTFC-OAHLLOKOSA-N 2 2 278.444 2.290 10 0 CEAELP COCC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348956 176133043 /nfs/dbraw/zinc/13/30/43/176133043.db2.gz VVJMSSLTAXRJLF-CYBMUJFWSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1C[C@H](C(C)(C)C)[NH2+]CC12CCCC2 ZINC000071348956 176133044 /nfs/dbraw/zinc/13/30/44/176133044.db2.gz VVJMSSLTAXRJLF-CYBMUJFWSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH+](C)C1 ZINC000071376853 176142248 /nfs/dbraw/zinc/14/22/48/176142248.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH+](C)C1 ZINC000071376853 176142249 /nfs/dbraw/zinc/14/22/49/176142249.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000071376853 176142251 /nfs/dbraw/zinc/14/22/51/176142251.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@H]([NH2+]CC[NH+](C)C1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000071376853 176142253 /nfs/dbraw/zinc/14/22/53/176142253.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+](CC)CC[NH2+]CC[C@@H](O)c1ccccc1 ZINC000076746435 177083148 /nfs/dbraw/zinc/08/31/48/177083148.db2.gz QLGDETUZIVIIKU-OAHLLOKOSA-N 2 2 250.386 2.042 10 0 CEAELP CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000044532957 270229458 /nfs/dbraw/zinc/22/94/58/270229458.db2.gz AYIWNZONIAVUDA-UKRRQHHQSA-N 2 2 287.407 2.026 10 0 CEAELP CN1c2ccccc2[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000044532957 270229459 /nfs/dbraw/zinc/22/94/59/270229459.db2.gz AYIWNZONIAVUDA-UKRRQHHQSA-N 2 2 287.407 2.026 10 0 CEAELP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000227065659 270310833 /nfs/dbraw/zinc/31/08/33/270310833.db2.gz XHIFXIVXVUAINX-RCCFBDPRSA-N 2 2 288.435 2.054 10 0 CEAELP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000227065659 270310836 /nfs/dbraw/zinc/31/08/36/270310836.db2.gz XHIFXIVXVUAINX-RCCFBDPRSA-N 2 2 288.435 2.054 10 0 CEAELP C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)CC[C@H]1[NH3+] ZINC000251640889 274361535 /nfs/dbraw/zinc/36/15/35/274361535.db2.gz FXWVOSCQHHKCID-PSASIEDQSA-N 2 2 259.275 2.274 10 0 CEAELP Cc1cccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000134121427 280013609 /nfs/dbraw/zinc/01/36/09/280013609.db2.gz QBUBRQPMWNHFNM-YCPHGPKFSA-N 2 2 262.397 2.413 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)o1 ZINC000070143164 280979019 /nfs/dbraw/zinc/97/90/19/280979019.db2.gz BODIDELRLRIECX-NSHDSACASA-N 2 2 262.357 2.238 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631396 521357516 /nfs/dbraw/zinc/35/75/16/521357516.db2.gz JLFWCQYICIQGEM-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](C)[C@@H]1C ZINC000068631396 521357549 /nfs/dbraw/zinc/35/75/49/521357549.db2.gz JLFWCQYICIQGEM-DZKIICNBSA-N 2 2 282.428 2.040 10 0 CEAELP O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180373676 534422058 /nfs/dbraw/zinc/42/20/58/534422058.db2.gz ZKYZMRYLRXYKMW-RHSMWYFYSA-N 2 2 285.391 2.461 10 0 CEAELP O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180373676 534422065 /nfs/dbraw/zinc/42/20/65/534422065.db2.gz ZKYZMRYLRXYKMW-RHSMWYFYSA-N 2 2 285.391 2.461 10 0 CEAELP CC(C)[NH2+]Cc1nccn1Cc1cn2ccccc2[nH+]1 ZINC000051014750 519728892 /nfs/dbraw/zinc/72/88/92/519728892.db2.gz GOXXKXOZWXUUGB-UHFFFAOYSA-N 2 2 269.352 2.077 10 0 CEAELP CCC[NH+]1CCC([N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601118 519845045 /nfs/dbraw/zinc/84/50/45/519845045.db2.gz IYRAMZWFXCNXAK-GASCZTMLSA-N 2 2 264.413 2.447 10 0 CEAELP CCC[NH+]1CCC([N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601118 519845047 /nfs/dbraw/zinc/84/50/47/519845047.db2.gz IYRAMZWFXCNXAK-GASCZTMLSA-N 2 2 264.413 2.447 10 0 CEAELP CC[NH2+]CC1(C[NH+]2Cc3ccccc3C2)CCOCC1 ZINC000052182100 519913751 /nfs/dbraw/zinc/91/37/51/519913751.db2.gz GUDIKAPJDQUYDT-UHFFFAOYSA-N 2 2 274.408 2.409 10 0 CEAELP CC[NH2+]C[C@@](C)(CC)C[NH+]1CCN(c2nccs2)CC1 ZINC000051212273 519957380 /nfs/dbraw/zinc/95/73/80/519957380.db2.gz HRABXLOZKGONBL-OAHLLOKOSA-N 2 2 296.484 2.291 10 0 CEAELP CC[NH2+]C[C@H](C)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418198 519969771 /nfs/dbraw/zinc/96/97/71/519969771.db2.gz ZORHBZJCCXFQOB-AWEZNQCLSA-N 2 2 279.403 2.193 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+](CC)[C@H](C)COC)cs1 ZINC000052504650 520021662 /nfs/dbraw/zinc/02/16/62/520021662.db2.gz OHSSSGHNAQRNSL-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+](CC)[C@H](C)COC)cs1 ZINC000052504650 520021655 /nfs/dbraw/zinc/02/16/55/520021655.db2.gz OHSSSGHNAQRNSL-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccs1 ZINC000049543907 520775962 /nfs/dbraw/zinc/77/59/62/520775962.db2.gz QUKXCUGIVOGKCJ-NWDGAFQWSA-N 2 2 256.415 2.101 10 0 CEAELP c1ncc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812494 534541286 /nfs/dbraw/zinc/54/12/86/534541286.db2.gz VJKLHFCCXWRNCL-LBPRGKRZSA-N 2 2 274.393 2.472 10 0 CEAELP c1ncc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000092812494 534541288 /nfs/dbraw/zinc/54/12/88/534541288.db2.gz VJKLHFCCXWRNCL-LBPRGKRZSA-N 2 2 274.393 2.472 10 0 CEAELP CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccs1 ZINC000049543905 521161559 /nfs/dbraw/zinc/16/15/59/521161559.db2.gz QUKXCUGIVOGKCJ-RYUDHWBXSA-N 2 2 256.415 2.101 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052543996 521563338 /nfs/dbraw/zinc/56/33/38/521563338.db2.gz TYLKORTYFKKFKG-UHFFFAOYSA-N 3 2 291.439 2.448 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052543996 521563345 /nfs/dbraw/zinc/56/33/45/521563345.db2.gz TYLKORTYFKKFKG-UHFFFAOYSA-N 3 2 291.439 2.448 10 0 CEAELP CCCn1cc[nH+]c1CNc1c[nH+]ccc1N(C)C ZINC000061877653 521663099 /nfs/dbraw/zinc/66/30/99/521663099.db2.gz SRUYQYVVOYNFRM-UHFFFAOYSA-N 2 2 259.357 2.366 10 0 CEAELP CCc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(OC)CC1 ZINC000052203495 521932329 /nfs/dbraw/zinc/93/23/29/521932329.db2.gz IPCLGQXVPINSTD-MRXNPFEDSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CC)CCOC ZINC000052203760 521954013 /nfs/dbraw/zinc/95/40/13/521954013.db2.gz GTVBOANBBJFZSP-HNNXBMFYSA-N 2 2 250.386 2.217 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CC)CCOC ZINC000052203760 521954023 /nfs/dbraw/zinc/95/40/23/521954023.db2.gz GTVBOANBBJFZSP-HNNXBMFYSA-N 2 2 250.386 2.217 10 0 CEAELP CCc1[nH+]c2cc(N)ccc2n1CCc1[nH+]ccn1C ZINC000052854828 522486127 /nfs/dbraw/zinc/48/61/27/522486127.db2.gz NPXHVHWHYUTBEL-UHFFFAOYSA-N 2 2 269.352 2.157 10 0 CEAELP C[NH2+][C@](C)(CCCC[NH+]1Cc2ccccc2C1)C(=O)OC ZINC000050912343 522514450 /nfs/dbraw/zinc/51/44/50/522514450.db2.gz UXJOUFXNHMCFPB-QGZVFWFLSA-N 2 2 290.407 2.324 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883321 523416822 /nfs/dbraw/zinc/41/68/22/523416822.db2.gz WBWPVMMFGZYVMS-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883321 523416826 /nfs/dbraw/zinc/41/68/26/523416826.db2.gz WBWPVMMFGZYVMS-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP CN1CCC[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052424198 523809952 /nfs/dbraw/zinc/80/99/52/523809952.db2.gz MXIKYCVTASTVIG-UHFFFAOYSA-N 2 2 279.428 2.305 10 0 CEAELP CN1CCC[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052424198 523809958 /nfs/dbraw/zinc/80/99/58/523809958.db2.gz MXIKYCVTASTVIG-UHFFFAOYSA-N 2 2 279.428 2.305 10 0 CEAELP COC(=O)[C@@](Cn1cc[nH+]c1C(C)C)([NH2+]C1CC1)C1CC1 ZINC000069191668 523824490 /nfs/dbraw/zinc/82/44/90/523824490.db2.gz UQXOZVOARTYVIO-INIZCTEOSA-N 2 2 291.395 2.080 10 0 CEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000049557735 524475154 /nfs/dbraw/zinc/47/51/54/524475154.db2.gz JIVVCNWBRNMVEM-NSHDSACASA-N 2 2 283.803 2.208 10 0 CEAELP C[C@H](Cc1ccsc1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000049155903 524762899 /nfs/dbraw/zinc/76/28/99/524762899.db2.gz RPRIWZNOTFCWTD-RISCZKNCSA-N 2 2 250.411 2.363 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000068630477 524852789 /nfs/dbraw/zinc/85/27/89/524852789.db2.gz WBPRTLFCSJSXGC-MQIPJXDCSA-N 2 2 283.460 2.127 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000068630477 524852797 /nfs/dbraw/zinc/85/27/97/524852797.db2.gz WBPRTLFCSJSXGC-MQIPJXDCSA-N 2 2 283.460 2.127 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc2cccnc21 ZINC000062802840 525002627 /nfs/dbraw/zinc/00/26/27/525002627.db2.gz VAVVKRKLBLAUGP-GFCCVEGCSA-N 2 2 266.348 2.369 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)Cc1[nH+]ccn1C ZINC000062247858 525016794 /nfs/dbraw/zinc/01/67/94/525016794.db2.gz IPOVRWOCTJYONT-IAQYHMDHSA-N 2 2 276.359 2.080 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757653 525367345 /nfs/dbraw/zinc/36/73/45/525367345.db2.gz LBEVIMJFWNFSKT-GDBMZVCRSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757653 525367352 /nfs/dbraw/zinc/36/73/52/525367352.db2.gz LBEVIMJFWNFSKT-GDBMZVCRSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1[nH+]c[nH]c1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000054797028 525462980 /nfs/dbraw/zinc/46/29/80/525462980.db2.gz BUMLDXLKAJCJNE-DOMZBBRYSA-N 2 2 264.417 2.318 10 0 CEAELP Cc1cc2[nH+]cn(C[C@H]3CC[C@@H](C[NH3+])O3)c2cc1C ZINC000052575664 525685820 /nfs/dbraw/zinc/68/58/20/525685820.db2.gz GEEFYBSPVAVEHU-QWHCGFSZSA-N 2 2 259.353 2.159 10 0 CEAELP Cc1ccc([C@@H]([NH3+])CCN2CCn3cc[nH+]c3C2)cc1 ZINC000062322629 525764501 /nfs/dbraw/zinc/76/45/01/525764501.db2.gz OQDYOANJZYWRGO-HNNXBMFYSA-N 2 2 270.380 2.097 10 0 CEAELP c1ccc(C[NH+]2CCC([NH2+]Cc3ccncn3)CC2)cc1 ZINC000054788627 526468383 /nfs/dbraw/zinc/46/83/83/526468383.db2.gz WJSRJUSAFCREAK-UHFFFAOYSA-N 2 2 282.391 2.231 10 0 CEAELP [NH3+]CCC[N@H+](CCC[NH+]1CCCC1)C1CCCC1 ZINC000049332089 527178357 /nfs/dbraw/zinc/17/83/57/527178357.db2.gz IVXVTSCHGLUHHQ-UHFFFAOYSA-N 3 2 253.434 2.066 10 0 CEAELP [NH3+]CCC[N@@H+](CCC[NH+]1CCCC1)C1CCCC1 ZINC000049332089 527178363 /nfs/dbraw/zinc/17/83/63/527178363.db2.gz IVXVTSCHGLUHHQ-UHFFFAOYSA-N 3 2 253.434 2.066 10 0 CEAELP Cc1nn(C)c(-n2c[nH+]c(C)c2C)c1C[NH2+]CC(C)C ZINC000062738893 527459868 /nfs/dbraw/zinc/45/98/68/527459868.db2.gz FFIYTGQHCZIATE-UHFFFAOYSA-N 2 2 275.400 2.277 10 0 CEAELP FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054764942 527671903 /nfs/dbraw/zinc/67/19/03/527671903.db2.gz AFBXCLDYERVFBH-ONGXEEELSA-N 2 2 277.290 2.389 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124619073 187145970 /nfs/dbraw/zinc/14/59/70/187145970.db2.gz KRARFGZRMYXSKH-XHSDSOJGSA-N 2 2 277.412 2.207 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124619073 187145971 /nfs/dbraw/zinc/14/59/71/187145971.db2.gz KRARFGZRMYXSKH-XHSDSOJGSA-N 2 2 277.412 2.207 10 0 CEAELP COc1ccccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000082728999 178245442 /nfs/dbraw/zinc/24/54/42/178245442.db2.gz KGNODUNWFMYOGS-UKRRQHHQSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000082728999 178245443 /nfs/dbraw/zinc/24/54/43/178245443.db2.gz KGNODUNWFMYOGS-UKRRQHHQSA-N 2 2 260.381 2.269 10 0 CEAELP Fc1cc(-n2c[nH+]cc2C2C[NH2+]C2)ccc1Cl ZINC000097022403 185154219 /nfs/dbraw/zinc/15/42/19/185154219.db2.gz FKJGWSHQROPBRI-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502605 361996062 /nfs/dbraw/zinc/99/60/62/361996062.db2.gz IMXXKKMAMHGHFX-INIZCTEOSA-N 3 2 288.439 2.124 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502605 361996063 /nfs/dbraw/zinc/99/60/63/361996063.db2.gz IMXXKKMAMHGHFX-INIZCTEOSA-N 3 2 288.439 2.124 10 0 CEAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265969 539213471 /nfs/dbraw/zinc/21/34/71/539213471.db2.gz FVOBZVWNMPZDBE-LBPRGKRZSA-N 3 2 253.434 2.109 10 0 CEAELP CCC[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265969 539213472 /nfs/dbraw/zinc/21/34/72/539213472.db2.gz FVOBZVWNMPZDBE-LBPRGKRZSA-N 3 2 253.434 2.109 10 0 CEAELP CC(C)[N@@H+]1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266456 539213596 /nfs/dbraw/zinc/21/35/96/539213596.db2.gz DXKWSEYKRSZFRE-UHFFFAOYSA-N 2 2 252.402 2.349 10 0 CEAELP CC(C)[N@H+]1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266456 539213597 /nfs/dbraw/zinc/21/35/97/539213597.db2.gz DXKWSEYKRSZFRE-UHFFFAOYSA-N 2 2 252.402 2.349 10 0 CEAELP COc1cccc([C@@H]([NH3+])[C@H]([NH3+])c2cccc(OC)c2)c1 ZINC000034214048 343418869 /nfs/dbraw/zinc/41/88/69/343418869.db2.gz VLIGRZTVNRBXFH-HZPDHXFCSA-N 2 2 272.348 2.404 10 0 CEAELP Cc1cccc(NCC[NH2+][C@@H]2C[NH+]3CCC2CC3)c1 ZINC000039043626 343435238 /nfs/dbraw/zinc/43/52/38/343435238.db2.gz NBGQPOCSQPKDDI-MRXNPFEDSA-N 2 2 259.397 2.091 10 0 CEAELP c1ccc(Nc2ccc([C@H]3C[NH2+]CCO3)cc2)[nH+]c1 ZINC000113966438 344278765 /nfs/dbraw/zinc/27/87/65/344278765.db2.gz HZGIAPHFJJNOTP-CQSZACIVSA-N 2 2 255.321 2.486 10 0 CEAELP [NH3+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225873910 344547959 /nfs/dbraw/zinc/54/79/59/344547959.db2.gz IZMCMZQESIQXER-OAGGEKHMSA-N 2 2 260.381 2.015 10 0 CEAELP [NH3+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[C@@H]1CCCCO1 ZINC000225873910 344547961 /nfs/dbraw/zinc/54/79/61/344547961.db2.gz IZMCMZQESIQXER-OAGGEKHMSA-N 2 2 260.381 2.015 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC(C)(C)C1 ZINC000384331189 344828485 /nfs/dbraw/zinc/82/84/85/344828485.db2.gz ADKHKFCDPMGWCE-QLFBSQMISA-N 2 2 268.445 2.248 10 0 CEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC(C)(C)C1 ZINC000384331189 344828487 /nfs/dbraw/zinc/82/84/87/344828487.db2.gz ADKHKFCDPMGWCE-QLFBSQMISA-N 2 2 268.445 2.248 10 0 CEAELP [NH3+][C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000085359951 179032418 /nfs/dbraw/zinc/03/24/18/179032418.db2.gz UKFGJJJZEVTGPO-QWHCGFSZSA-N 2 2 284.363 2.328 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000085398050 179050297 /nfs/dbraw/zinc/05/02/97/179050297.db2.gz OJIHYDFSHAORMQ-BFHYXJOUSA-N 2 2 254.418 2.264 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C)C1(C)C ZINC000085398050 179050300 /nfs/dbraw/zinc/05/03/00/179050300.db2.gz OJIHYDFSHAORMQ-BFHYXJOUSA-N 2 2 254.418 2.264 10 0 CEAELP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468407 179073473 /nfs/dbraw/zinc/07/34/73/179073473.db2.gz YCHXOWLRDRVKCB-GJZGRUSLSA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085468407 179073474 /nfs/dbraw/zinc/07/34/74/179073474.db2.gz YCHXOWLRDRVKCB-GJZGRUSLSA-N 2 2 266.429 2.266 10 0 CEAELP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1CCCn1cc[nH+]c1 ZINC000085504278 179085026 /nfs/dbraw/zinc/08/50/26/179085026.db2.gz FCCLBVGNOXKQSH-RDJZCZTQSA-N 2 2 284.407 2.308 10 0 CEAELP CCC1(CC)CN(CCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000085516641 179087380 /nfs/dbraw/zinc/08/73/80/179087380.db2.gz JCHIIMCZVXTBGJ-AWEZNQCLSA-N 2 2 264.417 2.126 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(C2CC2)C[N@@H+]1CCOC ZINC000085515623 179087398 /nfs/dbraw/zinc/08/73/98/179087398.db2.gz RQUYJVWUOXZNNS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(C2CC2)C[N@H+]1CCOC ZINC000085515623 179087399 /nfs/dbraw/zinc/08/73/99/179087399.db2.gz RQUYJVWUOXZNNS-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@]1(C)C[N@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085497073 179083895 /nfs/dbraw/zinc/08/38/95/179083895.db2.gz LRYWBOKAOROUGQ-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[N@@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085497073 179083896 /nfs/dbraw/zinc/08/38/96/179083896.db2.gz LRYWBOKAOROUGQ-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP C(C1CCOCC1)[N@@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529174 179091189 /nfs/dbraw/zinc/09/11/89/179091189.db2.gz CRGSOAFEJYMCJA-INIZCTEOSA-N 2 2 278.440 2.410 10 0 CEAELP C(C1CCOCC1)[N@H+]1C[C@@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529174 179091191 /nfs/dbraw/zinc/09/11/91/179091191.db2.gz CRGSOAFEJYMCJA-INIZCTEOSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCOCC(F)(F)F ZINC000085626272 179106581 /nfs/dbraw/zinc/10/65/81/179106581.db2.gz OVFZBXPXQRQYQS-JQWIXIFHSA-N 2 2 280.334 2.028 10 0 CEAELP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@H+]1CCOCC(F)(F)F ZINC000085626272 179106582 /nfs/dbraw/zinc/10/65/82/179106582.db2.gz OVFZBXPXQRQYQS-JQWIXIFHSA-N 2 2 280.334 2.028 10 0 CEAELP c1cn(CCC[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)c[nH+]1 ZINC000085610342 179101455 /nfs/dbraw/zinc/10/14/55/179101455.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 3 2 276.428 2.271 10 0 CEAELP c1cn(CCC[N@H+]2CCC[NH2+]C3(CCCCC3)C2)c[nH+]1 ZINC000085610342 179101457 /nfs/dbraw/zinc/10/14/57/179101457.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 3 2 276.428 2.271 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610185 179101525 /nfs/dbraw/zinc/10/15/25/179101525.db2.gz HKMPCWVNBFBHQU-ZDUSSCGKSA-N 2 2 255.365 2.419 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCC[NH2+]1 ZINC000085610185 179101527 /nfs/dbraw/zinc/10/15/27/179101527.db2.gz HKMPCWVNBFBHQU-ZDUSSCGKSA-N 2 2 255.365 2.419 10 0 CEAELP C([C@@H]1CCOC1)[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615355 179103880 /nfs/dbraw/zinc/10/38/80/179103880.db2.gz YNNOCPDXUVLTQD-GOEBONIOSA-N 2 2 266.429 2.267 10 0 CEAELP C([C@@H]1CCOC1)[N@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615355 179103883 /nfs/dbraw/zinc/10/38/83/179103883.db2.gz YNNOCPDXUVLTQD-GOEBONIOSA-N 2 2 266.429 2.267 10 0 CEAELP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085623132 179105627 /nfs/dbraw/zinc/10/56/27/179105627.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 3 2 276.428 2.270 10 0 CEAELP C[C@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085623132 179105629 /nfs/dbraw/zinc/10/56/29/179105629.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 3 2 276.428 2.270 10 0 CEAELP CC(C)[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085676314 179112461 /nfs/dbraw/zinc/11/24/61/179112461.db2.gz JXQRPLLYOCGLGY-IHRRRGAJSA-N 2 2 254.418 2.120 10 0 CEAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085676314 179112462 /nfs/dbraw/zinc/11/24/62/179112462.db2.gz JXQRPLLYOCGLGY-IHRRRGAJSA-N 2 2 254.418 2.120 10 0 CEAELP C[NH2+][C@@H](Cc1ccc(F)cc1Br)C[NH+](C)C ZINC000085798782 179172866 /nfs/dbraw/zinc/17/28/66/179172866.db2.gz HNBOTEIDLAPPGE-NSHDSACASA-N 2 2 289.192 2.280 10 0 CEAELP C[NH2+][C@H](Cc1ccc(F)c(Br)c1)C[NH+](C)C ZINC000085798776 179172920 /nfs/dbraw/zinc/17/29/20/179172920.db2.gz QKVPESIWIUTNLL-SNVBAGLBSA-N 2 2 289.192 2.280 10 0 CEAELP C[NH2+][C@H](Cc1cccc(Br)c1)C[NH+](C)C ZINC000085798841 179172953 /nfs/dbraw/zinc/17/29/53/179172953.db2.gz LMZVKMWTYDLNFI-GFCCVEGCSA-N 2 2 271.202 2.141 10 0 CEAELP CC[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218148 179250109 /nfs/dbraw/zinc/25/01/09/179250109.db2.gz ZUSWIOOPVOVQKD-QCEMKRCNSA-N 2 2 266.429 2.406 10 0 CEAELP CC[C@H]1C[NH2+][C@@](C)(C2CC2)C[N@H+]1[C@@H](C)[C@@H]1CCCO1 ZINC000086218148 179250110 /nfs/dbraw/zinc/25/01/10/179250110.db2.gz ZUSWIOOPVOVQKD-QCEMKRCNSA-N 2 2 266.429 2.406 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261354 179260612 /nfs/dbraw/zinc/26/06/12/179260612.db2.gz VFRCPBBGDQRZJW-XQLPTFJDSA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@H]1C[NH2+][C@H](C2CC2)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261354 179260614 /nfs/dbraw/zinc/26/06/14/179260614.db2.gz VFRCPBBGDQRZJW-XQLPTFJDSA-N 2 2 252.402 2.016 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266450 /nfs/dbraw/zinc/26/64/50/179266450.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266451 /nfs/dbraw/zinc/26/64/51/179266451.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266453 /nfs/dbraw/zinc/26/64/53/179266453.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP CC(C)[NH+]1CC[C@@H](C[N@H+]2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266454 /nfs/dbraw/zinc/26/64/54/179266454.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296431 179267521 /nfs/dbraw/zinc/26/75/21/179267521.db2.gz ZCXPIHAIVKVDHV-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@](C)(C3CC3)C2)cn1 ZINC000086296431 179267522 /nfs/dbraw/zinc/26/75/22/179267522.db2.gz ZCXPIHAIVKVDHV-INIZCTEOSA-N 2 2 275.396 2.054 10 0 CEAELP Cc1cnc(C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086295455 179267903 /nfs/dbraw/zinc/26/79/03/179267903.db2.gz SKSHYPDUYRCXHI-UHFFFAOYSA-N 2 2 274.412 2.283 10 0 CEAELP Cc1cnc(C[N@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000086295455 179267904 /nfs/dbraw/zinc/26/79/04/179267904.db2.gz SKSHYPDUYRCXHI-UHFFFAOYSA-N 2 2 274.412 2.283 10 0 CEAELP C[NH2+][C@H]1CCCc2sc(N(C)Cc3[nH+]ccn3C)nc21 ZINC000086444054 179293919 /nfs/dbraw/zinc/29/39/19/179293919.db2.gz HJODWGLDEMZQKV-JTQLQIEISA-N 2 2 291.424 2.110 10 0 CEAELP C[NH2+][C@@]1(c2nc3c(s2)CCC3)CCC[N@H+](C)CC1 ZINC000086833653 179349703 /nfs/dbraw/zinc/34/97/03/179349703.db2.gz XUOLJFUTPDYGKY-AWEZNQCLSA-N 2 2 265.426 2.162 10 0 CEAELP C[NH2+][C@@]1(c2nc3c(s2)CCC3)CCC[N@@H+](C)CC1 ZINC000086833653 179349704 /nfs/dbraw/zinc/34/97/04/179349704.db2.gz XUOLJFUTPDYGKY-AWEZNQCLSA-N 2 2 265.426 2.162 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000086842596 179353274 /nfs/dbraw/zinc/35/32/74/179353274.db2.gz BXEKPCMOJHTDKJ-GFCCVEGCSA-N 2 2 253.415 2.497 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2nccs2)CC1 ZINC000086842596 179353277 /nfs/dbraw/zinc/35/32/77/179353277.db2.gz BXEKPCMOJHTDKJ-GFCCVEGCSA-N 2 2 253.415 2.497 10 0 CEAELP COCC[NH2+][C@@]1(c2nccs2)CCC[N@@H+](C(C)C)CC1 ZINC000086851704 179359695 /nfs/dbraw/zinc/35/96/95/179359695.db2.gz KJXYCTHFUMGSEJ-HNNXBMFYSA-N 2 2 297.468 2.469 10 0 CEAELP COCC[NH2+][C@@]1(c2nccs2)CCC[N@H+](C(C)C)CC1 ZINC000086851704 179359697 /nfs/dbraw/zinc/35/96/97/179359697.db2.gz KJXYCTHFUMGSEJ-HNNXBMFYSA-N 2 2 297.468 2.469 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874878 179364565 /nfs/dbraw/zinc/36/45/65/179364565.db2.gz KHZNFAXJDUWXSJ-HNNXBMFYSA-N 2 2 266.360 2.156 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874878 179364568 /nfs/dbraw/zinc/36/45/68/179364568.db2.gz KHZNFAXJDUWXSJ-HNNXBMFYSA-N 2 2 266.360 2.156 10 0 CEAELP CCC[N@@H+]1CCC[C@](O)(c2cc(C)c[nH+]c2N)CC1 ZINC000086852746 179359437 /nfs/dbraw/zinc/35/94/37/179359437.db2.gz FKTMVEJPPXTHRT-OAHLLOKOSA-N 2 2 263.385 2.056 10 0 CEAELP CCC[N@H+]1CCC[C@](O)(c2cc(C)c[nH+]c2N)CC1 ZINC000086852746 179359440 /nfs/dbraw/zinc/35/94/40/179359440.db2.gz FKTMVEJPPXTHRT-OAHLLOKOSA-N 2 2 263.385 2.056 10 0 CEAELP CC[C@H]1CCC[C@@](C(=O)OC)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086915571 179366951 /nfs/dbraw/zinc/36/69/51/179366951.db2.gz LEZZCOSONMPSRY-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@H]1CCC[C@@](C(=O)OC)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086915571 179366954 /nfs/dbraw/zinc/36/69/54/179366954.db2.gz LEZZCOSONMPSRY-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000089142651 179720610 /nfs/dbraw/zinc/72/06/10/179720610.db2.gz UNKAEOVRRBUZQJ-TZMCWYRMSA-N 2 2 271.368 2.197 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3c2OCCO3)c[nH+]1 ZINC000178516833 542250347 /nfs/dbraw/zinc/25/03/47/542250347.db2.gz VXBHLILGRORTBV-HNNXBMFYSA-N 2 2 299.374 2.319 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)c[nH+]1 ZINC000178516833 542250351 /nfs/dbraw/zinc/25/03/51/542250351.db2.gz VXBHLILGRORTBV-HNNXBMFYSA-N 2 2 299.374 2.319 10 0 CEAELP CCC[NH2+]C[C@H]1CCCCN1Cc1c[nH+]cn1CC ZINC000090235945 179936821 /nfs/dbraw/zinc/93/68/21/179936821.db2.gz IYLIAXARSJKTNE-CQSZACIVSA-N 2 2 264.417 2.257 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878940 180052653 /nfs/dbraw/zinc/05/26/53/180052653.db2.gz WDKPTVFOMDRVNZ-TUKIKUTGSA-N 2 2 278.371 2.331 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090878940 180052655 /nfs/dbraw/zinc/05/26/55/180052655.db2.gz WDKPTVFOMDRVNZ-TUKIKUTGSA-N 2 2 278.371 2.331 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892414 180053702 /nfs/dbraw/zinc/05/37/02/180053702.db2.gz HFDAPWSPECPTIC-CABCVRRESA-N 2 2 280.387 2.305 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893515 180055221 /nfs/dbraw/zinc/05/52/21/180055221.db2.gz VDWSXVKAHZWHBF-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP CC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893515 180055223 /nfs/dbraw/zinc/05/52/23/180055223.db2.gz VDWSXVKAHZWHBF-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895273 180056352 /nfs/dbraw/zinc/05/63/52/180056352.db2.gz SVWHDPUUDZXXHU-KBPBESRZSA-N 2 2 289.354 2.306 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907445 180061325 /nfs/dbraw/zinc/06/13/25/180061325.db2.gz GBMHLGWFPHSOCA-QLFBSQMISA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+]C[C@@](C)(CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907445 180061327 /nfs/dbraw/zinc/06/13/27/180061327.db2.gz GBMHLGWFPHSOCA-QLFBSQMISA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907586 180061983 /nfs/dbraw/zinc/06/19/83/180061983.db2.gz BNVANTBJDDHNLX-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(F)cc1 ZINC000090907586 180061984 /nfs/dbraw/zinc/06/19/84/180061984.db2.gz BNVANTBJDDHNLX-OWCLPIDISA-N 2 2 278.371 2.340 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907573 180062230 /nfs/dbraw/zinc/06/22/30/180062230.db2.gz ASKOQEFGZMICHS-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[C@@](C)(C[NH2+]CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907573 180062231 /nfs/dbraw/zinc/06/22/31/180062231.db2.gz ASKOQEFGZMICHS-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CC(C)(C)NC(=O)C[C@H](C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000091321527 180134435 /nfs/dbraw/zinc/13/44/35/180134435.db2.gz XVENYUTZZQUWNY-CQSZACIVSA-N 2 2 297.487 2.377 10 0 CEAELP CC(C)[NH+](CCNCc1c[nH+]cn1C1CC1)C(C)C ZINC000091274142 180118582 /nfs/dbraw/zinc/11/85/82/180118582.db2.gz QPDVWPVAERENID-UHFFFAOYSA-N 2 2 264.417 2.426 10 0 CEAELP CC(C)[C@H](C)N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276268 180120105 /nfs/dbraw/zinc/12/01/05/180120105.db2.gz BHFIOCFWYFPBHT-AAEUAGOBSA-N 2 2 250.390 2.194 10 0 CEAELP Cc1[nH+]cn(-c2cncc(C[NH2+]CC(C)C)n2)c1C ZINC000091422491 180151516 /nfs/dbraw/zinc/15/15/16/180151516.db2.gz HMFGMBTYYWFNRU-UHFFFAOYSA-N 2 2 259.357 2.025 10 0 CEAELP CC(C)([C@H]([NH3+])C1CCOCC1)[NH+]1CCCCCC1 ZINC000091567778 180194553 /nfs/dbraw/zinc/19/45/53/180194553.db2.gz DIUQDXMUVRATTO-CQSZACIVSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@H](c1c[nH+]ccc1N)[C@@](C)(CC)N(C)C ZINC000091571209 180195308 /nfs/dbraw/zinc/19/53/08/180195308.db2.gz WNNFZCXFRMDGGQ-ZIAGYGMSSA-N 2 2 250.390 2.045 10 0 CEAELP C[NH2+][C@@H](Cc1c(Cl)c(C)nn1C)C(C)(C)[NH+]1CCCC1 ZINC000091534401 180181239 /nfs/dbraw/zinc/18/12/39/180181239.db2.gz PGGQUWATZQFINS-ZDUSSCGKSA-N 2 2 298.862 2.387 10 0 CEAELP Cc1nc(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)cs1 ZINC000091533950 180181397 /nfs/dbraw/zinc/18/13/97/180181397.db2.gz OIHAGSVVHRRPCC-GFCCVEGCSA-N 2 2 253.415 2.196 10 0 CEAELP CCc1nn(C)c(C[C@@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1Cl ZINC000091533758 180181419 /nfs/dbraw/zinc/18/14/19/180181419.db2.gz RRORIIPVIRONTP-CYBMUJFWSA-N 2 2 298.862 2.380 10 0 CEAELP CC[NH2+][C@@H](C1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091646295 180215308 /nfs/dbraw/zinc/21/53/08/180215308.db2.gz AVMIZQRELYJZHG-AWEZNQCLSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1CCC[C@@](C(=O)Cc2cc[nH+]c(N)c2)([NH+](C)C)C1 ZINC000091649788 180216449 /nfs/dbraw/zinc/21/64/49/180216449.db2.gz SGUTYDHLLZCSJA-MLGOLLRUSA-N 2 2 275.396 2.286 10 0 CEAELP C[NH2+][C@H](Cc1ccc(OC(F)(F)F)cc1)C[NH+](C)C ZINC000091719675 180234105 /nfs/dbraw/zinc/23/41/05/180234105.db2.gz BFBGSUYLBFWOEA-LLVKDONJSA-N 2 2 276.302 2.277 10 0 CEAELP CCC[NH2+][C@H](Cc1ccc(F)cc1F)C[NH+](C)C ZINC000091720091 180236848 /nfs/dbraw/zinc/23/68/48/180236848.db2.gz JMYDXYYMKJUMFN-CYBMUJFWSA-N 2 2 256.340 2.437 10 0 CEAELP CCC[NH2+][C@H](c1ccco1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722197 180241014 /nfs/dbraw/zinc/24/10/14/180241014.db2.gz SPQRLIKXOZTZTL-VHDGCEQUSA-N 2 2 264.369 2.184 10 0 CEAELP CCC[NH2+][C@H](c1ccco1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722197 180241015 /nfs/dbraw/zinc/24/10/15/180241015.db2.gz SPQRLIKXOZTZTL-VHDGCEQUSA-N 2 2 264.369 2.184 10 0 CEAELP C[N@@H+]1CCO[C@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723964 180241778 /nfs/dbraw/zinc/24/17/78/180241778.db2.gz QUXVADIRKUWIJJ-AWEZNQCLSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@H](c2nc(-c3ccc(C[NH3+])cc3)cs2)C1 ZINC000091723964 180241780 /nfs/dbraw/zinc/24/17/80/180241780.db2.gz QUXVADIRKUWIJJ-AWEZNQCLSA-N 2 2 289.404 2.272 10 0 CEAELP [NH3+]C[C@@]1([C@@H](O)c2c[nH+]cn2C2CC2)CCc2ccccc21 ZINC000091926587 180287754 /nfs/dbraw/zinc/28/77/54/180287754.db2.gz JXEOMERSFGNWPC-IRXDYDNUSA-N 2 2 283.375 2.094 10 0 CEAELP CCC[NH2+]Cc1cc(C)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054615 180313658 /nfs/dbraw/zinc/31/36/58/180313658.db2.gz UQWJEWPAKYOTNV-INIZCTEOSA-N 2 2 292.423 2.204 10 0 CEAELP CCC[NH2+]Cc1cc(C)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054615 180313659 /nfs/dbraw/zinc/31/36/59/180313659.db2.gz UQWJEWPAKYOTNV-INIZCTEOSA-N 2 2 292.423 2.204 10 0 CEAELP CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054211 180314028 /nfs/dbraw/zinc/31/40/28/180314028.db2.gz VRHPABBOFRMHBI-GJZGRUSLSA-N 2 2 292.423 2.457 10 0 CEAELP CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054211 180314031 /nfs/dbraw/zinc/31/40/31/180314031.db2.gz VRHPABBOFRMHBI-GJZGRUSLSA-N 2 2 292.423 2.457 10 0 CEAELP C[N@@H+]1CCO[C@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054509 180314301 /nfs/dbraw/zinc/31/43/01/180314301.db2.gz PUIZUWGZKDZKHO-HNNXBMFYSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054509 180314303 /nfs/dbraw/zinc/31/43/03/180314303.db2.gz PUIZUWGZKDZKHO-HNNXBMFYSA-N 2 2 292.423 2.284 10 0 CEAELP C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H]1C[N@H+](C)CCO1 ZINC000092054411 180314684 /nfs/dbraw/zinc/31/46/84/180314684.db2.gz SEFSREZQGYWUGJ-YPMHNXCESA-N 2 2 298.814 2.330 10 0 CEAELP C[NH2+][C@H](C)c1cc(Cl)ccc1OC[C@@H]1C[N@@H+](C)CCO1 ZINC000092054411 180314685 /nfs/dbraw/zinc/31/46/85/180314685.db2.gz SEFSREZQGYWUGJ-YPMHNXCESA-N 2 2 298.814 2.330 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H]([NH3+])C(C)(C)OC)c1C ZINC000092138636 180333858 /nfs/dbraw/zinc/33/38/58/180333858.db2.gz ICOAOEXERBSONU-GFCCVEGCSA-N 2 2 252.358 2.002 10 0 CEAELP C[C@@H](C[NH2+]C[C@H]1Cc2ccccc2S1)[NH+](C)C ZINC000092243732 180351738 /nfs/dbraw/zinc/35/17/38/180351738.db2.gz ZWILWMJWBWBTEY-WCQYABFASA-N 2 2 250.411 2.243 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417403 180381164 /nfs/dbraw/zinc/38/11/64/180381164.db2.gz IZYNYOYNTWYKJS-MFKMUULPSA-N 2 2 265.788 2.165 10 0 CEAELP CC1(C)[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417403 180381165 /nfs/dbraw/zinc/38/11/65/180381165.db2.gz IZYNYOYNTWYKJS-MFKMUULPSA-N 2 2 265.788 2.165 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)c1 ZINC000092417870 180381407 /nfs/dbraw/zinc/38/14/07/180381407.db2.gz DWCDKZDOVZAGRE-ZDUSSCGKSA-N 2 2 291.395 2.289 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCC[C@H](C(=O)OCC)C2)c1 ZINC000092417870 180381409 /nfs/dbraw/zinc/38/14/09/180381409.db2.gz DWCDKZDOVZAGRE-ZDUSSCGKSA-N 2 2 291.395 2.289 10 0 CEAELP COc1ccc2c(c1)[C@](C[NH3+])([NH+]1CCSCC1)CCC2 ZINC000092384593 180373778 /nfs/dbraw/zinc/37/37/78/180373778.db2.gz MWXRWLKSRRKPAG-INIZCTEOSA-N 2 2 292.448 2.234 10 0 CEAELP COc1ccccc1-c1cn2c([nH+]1)[C@H](C)C[C@@H]([NH3+])C2 ZINC000107827753 186194608 /nfs/dbraw/zinc/19/46/08/186194608.db2.gz YNDDSXBFTFDTIQ-GHMZBOCLSA-N 2 2 257.337 2.393 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515193 365964776 /nfs/dbraw/zinc/96/47/76/365964776.db2.gz JZCSGQMTGPOREW-ZFWWWQNUSA-N 2 2 262.397 2.397 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(O)cc2)C1 ZINC000130515193 365964779 /nfs/dbraw/zinc/96/47/79/365964779.db2.gz JZCSGQMTGPOREW-ZFWWWQNUSA-N 2 2 262.397 2.397 10 0 CEAELP CCc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000109319612 186247968 /nfs/dbraw/zinc/24/79/68/186247968.db2.gz MQMUVUSYOUYTFV-OAHLLOKOSA-N 2 2 297.406 2.241 10 0 CEAELP COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)Cn1cc[nH+]c1 ZINC000110629855 186308131 /nfs/dbraw/zinc/30/81/31/186308131.db2.gz BDNBSKHPDWDHFN-SECBINFHSA-N 2 2 289.314 2.224 10 0 CEAELP CCN(c1cc(C)[nH+]c(C(C)C)n1)[C@H]1CCC[NH2+]C1 ZINC000110947247 186335536 /nfs/dbraw/zinc/33/55/36/186335536.db2.gz YWWFUHSWFZVJMK-ZDUSSCGKSA-N 2 2 262.401 2.487 10 0 CEAELP C[C@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@@H+]1C ZINC000110751022 186319963 /nfs/dbraw/zinc/31/99/63/186319963.db2.gz VEHXOPGPQIWKGS-LBPRGKRZSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@H+]1C ZINC000110751022 186319965 /nfs/dbraw/zinc/31/99/65/186319965.db2.gz VEHXOPGPQIWKGS-LBPRGKRZSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@H]1C[N@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110751022 186319966 /nfs/dbraw/zinc/31/99/66/186319966.db2.gz VEHXOPGPQIWKGS-LBPRGKRZSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@H]1C[N@@H+](Cc2c3ccccc3oc2C[NH3+])CCN1C ZINC000110751022 186319968 /nfs/dbraw/zinc/31/99/68/186319968.db2.gz VEHXOPGPQIWKGS-LBPRGKRZSA-N 2 2 273.380 2.027 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCN1C ZINC000110751627 186320518 /nfs/dbraw/zinc/32/05/18/186320518.db2.gz ZJEVKSHXKWJVJX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCN1C ZINC000110751627 186320519 /nfs/dbraw/zinc/32/05/19/186320519.db2.gz ZJEVKSHXKWJVJX-ZDUSSCGKSA-N 2 2 279.428 2.304 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000111043651 186347527 /nfs/dbraw/zinc/34/75/27/186347527.db2.gz OIPSACFWTBPDKI-HNNXBMFYSA-N 2 2 255.321 2.203 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154407 186360781 /nfs/dbraw/zinc/36/07/81/186360781.db2.gz UKZNCLFGKQCVRV-OFQRWUPVSA-N 2 2 262.397 2.433 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154407 186360783 /nfs/dbraw/zinc/36/07/83/186360783.db2.gz UKZNCLFGKQCVRV-OFQRWUPVSA-N 2 2 262.397 2.433 10 0 CEAELP COc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154759 186360972 /nfs/dbraw/zinc/36/09/72/186360972.db2.gz SAVUHVVVUWZXHK-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111154759 186360973 /nfs/dbraw/zinc/36/09/73/186360973.db2.gz SAVUHVVVUWZXHK-ZQIUZPCESA-N 2 2 292.423 2.442 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111156272 186361562 /nfs/dbraw/zinc/36/15/62/186361562.db2.gz WQLOOBSXFJJUJP-DOMZBBRYSA-N 2 2 266.385 2.335 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111156272 186361564 /nfs/dbraw/zinc/36/15/64/186361564.db2.gz WQLOOBSXFJJUJP-DOMZBBRYSA-N 2 2 266.385 2.335 10 0 CEAELP CCOc1ccccc1[C@@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159494 186362192 /nfs/dbraw/zinc/36/21/92/186362192.db2.gz SZMXRHQKQYGROK-MRXNPFEDSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159494 186362194 /nfs/dbraw/zinc/36/21/94/186362194.db2.gz SZMXRHQKQYGROK-MRXNPFEDSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc(N)cc1C[N@H+](C)CCC[NH+](C)C ZINC000111131530 186356156 /nfs/dbraw/zinc/35/61/56/186356156.db2.gz SOAZVKZCZARYAY-UHFFFAOYSA-N 2 2 265.401 2.051 10 0 CEAELP CCOc1ccc(N)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111131530 186356158 /nfs/dbraw/zinc/35/61/58/186356158.db2.gz SOAZVKZCZARYAY-UHFFFAOYSA-N 2 2 265.401 2.051 10 0 CEAELP C[N@H+](Cc1ccncc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325725 186398730 /nfs/dbraw/zinc/39/87/30/186398730.db2.gz MHXPEGITUPBHQP-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP C[N@@H+](Cc1ccncc1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325725 186398732 /nfs/dbraw/zinc/39/87/32/186398732.db2.gz MHXPEGITUPBHQP-QGZVFWFLSA-N 2 2 289.423 2.062 10 0 CEAELP [NH3+]C[C@H]1CN(c2cccc[nH+]2)CC[C@@H]1C(F)(F)F ZINC000630529840 351774025 /nfs/dbraw/zinc/77/40/25/351774025.db2.gz XBULQOPXGYVXCR-UWVGGRQHSA-N 2 2 259.275 2.045 10 0 CEAELP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000262287908 539855607 /nfs/dbraw/zinc/85/56/07/539855607.db2.gz ZVDQMPKGEIBYFJ-CQSZACIVSA-N 2 2 262.397 2.314 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133592530 366238293 /nfs/dbraw/zinc/23/82/93/366238293.db2.gz AIIYTZRPRBBEFP-AWEZNQCLSA-N 3 2 272.396 2.076 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000079048755 363569713 /nfs/dbraw/zinc/56/97/13/363569713.db2.gz JGDLUKSUFDEHFM-UHFFFAOYSA-N 2 2 258.369 2.139 10 0 CEAELP C[N@@H+](Cc1cccc(O)c1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000294770711 199174977 /nfs/dbraw/zinc/17/49/77/199174977.db2.gz SWBXFHWLYLNCIG-LLVKDONJSA-N 2 2 268.788 2.429 10 0 CEAELP C[N@H+](Cc1cccc(O)c1Cl)C[C@@H]1CC[NH+](C)C1 ZINC000294770711 199174979 /nfs/dbraw/zinc/17/49/79/199174979.db2.gz SWBXFHWLYLNCIG-LLVKDONJSA-N 2 2 268.788 2.429 10 0 CEAELP C[NH+](Cc1cccc(O)c1Cl)C[C@@H]1CC[N@H+](C)C1 ZINC000294770711 199174980 /nfs/dbraw/zinc/17/49/80/199174980.db2.gz SWBXFHWLYLNCIG-LLVKDONJSA-N 2 2 268.788 2.429 10 0 CEAELP C[NH+](Cc1cccc(O)c1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000294770711 199174982 /nfs/dbraw/zinc/17/49/82/199174982.db2.gz SWBXFHWLYLNCIG-LLVKDONJSA-N 2 2 268.788 2.429 10 0 CEAELP Cc1cnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178288396 189102936 /nfs/dbraw/zinc/10/29/36/189102936.db2.gz MKKCMMDBMARJCV-ZDUSSCGKSA-N 2 2 260.341 2.153 10 0 CEAELP Cc1cnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178288396 189102937 /nfs/dbraw/zinc/10/29/37/189102937.db2.gz MKKCMMDBMARJCV-ZDUSSCGKSA-N 2 2 260.341 2.153 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]c1 ZINC000112697429 364827933 /nfs/dbraw/zinc/82/79/33/364827933.db2.gz KDOSEEWALNWLNZ-OAHLLOKOSA-N 2 2 275.396 2.242 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](CC3CCOCC3)C2)[nH+]c1 ZINC000112697429 364827936 /nfs/dbraw/zinc/82/79/36/364827936.db2.gz KDOSEEWALNWLNZ-OAHLLOKOSA-N 2 2 275.396 2.242 10 0 CEAELP C[C@H](C[N@@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116878953 365077998 /nfs/dbraw/zinc/07/79/98/365077998.db2.gz UKYCYRTUDCTWPL-GDBMZVCRSA-N 2 2 262.397 2.053 10 0 CEAELP C[C@H](C[N@H+]1CCO[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000116878953 365078003 /nfs/dbraw/zinc/07/80/03/365078003.db2.gz UKYCYRTUDCTWPL-GDBMZVCRSA-N 2 2 262.397 2.053 10 0 CEAELP Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000120217244 365390498 /nfs/dbraw/zinc/39/04/98/365390498.db2.gz LEBZVWGDEZKOBP-FZMZJTMJSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc[nH+]1 ZINC000120217244 365390503 /nfs/dbraw/zinc/39/05/03/365390503.db2.gz LEBZVWGDEZKOBP-FZMZJTMJSA-N 2 2 276.384 2.240 10 0 CEAELP C[N@@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000168413731 367353143 /nfs/dbraw/zinc/35/31/43/367353143.db2.gz GSJMPDGGBWHBPW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[N@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000168413731 367353146 /nfs/dbraw/zinc/35/31/46/367353146.db2.gz GSJMPDGGBWHBPW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000168413731 367353150 /nfs/dbraw/zinc/35/31/50/367353150.db2.gz GSJMPDGGBWHBPW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP C[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000168413731 367353154 /nfs/dbraw/zinc/35/31/54/367353154.db2.gz GSJMPDGGBWHBPW-LLVKDONJSA-N 2 2 298.228 2.228 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)n2c1 ZINC000245711088 370861505 /nfs/dbraw/zinc/86/15/05/370861505.db2.gz GBBPTGHFBDFNTO-CABCVRRESA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)n2c1 ZINC000245711088 370861511 /nfs/dbraw/zinc/86/15/11/370861511.db2.gz GBBPTGHFBDFNTO-CABCVRRESA-N 2 2 284.407 2.311 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000631839571 367581033 /nfs/dbraw/zinc/58/10/33/367581033.db2.gz HUXUZAVCSGJERI-MNOVXSKESA-N 2 2 278.787 2.014 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000631839571 367581042 /nfs/dbraw/zinc/58/10/42/367581042.db2.gz HUXUZAVCSGJERI-MNOVXSKESA-N 2 2 278.787 2.014 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844384 367586403 /nfs/dbraw/zinc/58/64/03/367586403.db2.gz IHBNTUYLIDVBSQ-JQWIXIFHSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844384 367586406 /nfs/dbraw/zinc/58/64/06/367586406.db2.gz IHBNTUYLIDVBSQ-JQWIXIFHSA-N 2 2 295.814 2.114 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000246311493 370945123 /nfs/dbraw/zinc/94/51/23/370945123.db2.gz BVPZUJRGNDWSCA-UONOGXRCSA-N 2 2 291.395 2.036 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000246311493 370945130 /nfs/dbraw/zinc/94/51/30/370945130.db2.gz BVPZUJRGNDWSCA-UONOGXRCSA-N 2 2 291.395 2.036 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C12CCOCC2 ZINC000186322768 368956989 /nfs/dbraw/zinc/95/69/89/368956989.db2.gz XBZRNAPVGPUXLF-VNQPRFMTSA-N 2 2 296.455 2.033 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C12CCOCC2 ZINC000186322768 368956993 /nfs/dbraw/zinc/95/69/93/368956993.db2.gz XBZRNAPVGPUXLF-VNQPRFMTSA-N 2 2 296.455 2.033 10 0 CEAELP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246611358 370984418 /nfs/dbraw/zinc/98/44/18/370984418.db2.gz GTBCZQIKTXGJCO-KBPBESRZSA-N 2 2 291.395 2.157 10 0 CEAELP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246611358 370984423 /nfs/dbraw/zinc/98/44/23/370984423.db2.gz GTBCZQIKTXGJCO-KBPBESRZSA-N 2 2 291.395 2.157 10 0 CEAELP C[C@@H]1C[N@H+](CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235384356 370563850 /nfs/dbraw/zinc/56/38/50/370563850.db2.gz DGXWAWFNRRUCSH-DYVFJYSZSA-N 2 2 270.376 2.498 10 0 CEAELP C[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235384356 370563853 /nfs/dbraw/zinc/56/38/53/370563853.db2.gz DGXWAWFNRRUCSH-DYVFJYSZSA-N 2 2 270.376 2.498 10 0 CEAELP Cc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000246872330 371024262 /nfs/dbraw/zinc/02/42/62/371024262.db2.gz FOZQGMSKISBTDL-OCCSQVGLSA-N 2 2 272.396 2.335 10 0 CEAELP Cc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000246872330 371024269 /nfs/dbraw/zinc/02/42/69/371024269.db2.gz FOZQGMSKISBTDL-OCCSQVGLSA-N 2 2 272.396 2.335 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3F)C[C@@H]12 ZINC000261604432 371673607 /nfs/dbraw/zinc/67/36/07/371673607.db2.gz RAYGIDXKDIPQQK-LLHLLMPMSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@@H]12 ZINC000261604432 371673612 /nfs/dbraw/zinc/67/36/12/371673612.db2.gz RAYGIDXKDIPQQK-LLHLLMPMSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cnc3ccccc3c2)CC1 ZINC000259473238 371624820 /nfs/dbraw/zinc/62/48/20/371624820.db2.gz OCCADAJLVSJSMY-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000259380944 371625023 /nfs/dbraw/zinc/62/50/23/371625023.db2.gz JMSPUCYVNJSTEZ-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP Nc1ncc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000261894744 371764659 /nfs/dbraw/zinc/76/46/59/371764659.db2.gz UQYQSEZKUALMBP-LLVKDONJSA-N 2 2 289.408 2.054 10 0 CEAELP Nc1ncc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000261894744 371764664 /nfs/dbraw/zinc/76/46/64/371764664.db2.gz UQYQSEZKUALMBP-LLVKDONJSA-N 2 2 289.408 2.054 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1[NH3+] ZINC000261961691 371786061 /nfs/dbraw/zinc/78/60/61/371786061.db2.gz HIYBIDDXLBJWPD-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1[NH3+] ZINC000261961691 371786064 /nfs/dbraw/zinc/78/60/64/371786064.db2.gz HIYBIDDXLBJWPD-KDOFPFPSSA-N 2 2 297.402 2.440 10 0 CEAELP Clc1ccc(SCC[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000262136877 371828505 /nfs/dbraw/zinc/82/85/05/371828505.db2.gz OIVWIYMAFUXDTI-LLVKDONJSA-N 2 2 256.802 2.384 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nc(C)[nH+]1 ZINC000272916980 373710444 /nfs/dbraw/zinc/71/04/44/373710444.db2.gz SMHOXDCVSVCAMN-FZMZJTMJSA-N 2 2 260.385 2.020 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)nc(C)[nH+]1 ZINC000272916980 373710449 /nfs/dbraw/zinc/71/04/49/373710449.db2.gz SMHOXDCVSVCAMN-FZMZJTMJSA-N 2 2 260.385 2.020 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000389533511 375305327 /nfs/dbraw/zinc/30/53/27/375305327.db2.gz IUFBAIKEFAMWLC-XJKSGUPXSA-N 2 2 260.381 2.366 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(OC)cc32)C1 ZINC000389533511 375305333 /nfs/dbraw/zinc/30/53/33/375305333.db2.gz IUFBAIKEFAMWLC-XJKSGUPXSA-N 2 2 260.381 2.366 10 0 CEAELP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000191490831 542342444 /nfs/dbraw/zinc/34/24/44/542342444.db2.gz POMQYYPDZYOEBI-MRXNPFEDSA-N 2 2 299.422 2.399 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[C@H]1CCC[C@]1(O)C[NH3+] ZINC000093627330 184698769 /nfs/dbraw/zinc/69/87/69/184698769.db2.gz YBHQYYRTBBMEMX-CJNGLKHVSA-N 2 2 273.380 2.225 10 0 CEAELP C[C@]1(C[NH2+][C@@H](C[NH3+])c2cccc(Cl)c2)CCCO1 ZINC000094799269 184866287 /nfs/dbraw/zinc/86/62/87/184866287.db2.gz QNQLBVBONLFYDN-UONOGXRCSA-N 2 2 268.788 2.499 10 0 CEAELP c1cc([NH+]2CCCC2)ccc1N1CC[NH2+][C@@H](C2CC2)C1 ZINC000086148783 135039249 /nfs/dbraw/zinc/03/92/49/135039249.db2.gz XEGMQYLVUGYULP-QGZVFWFLSA-N 2 2 271.408 2.475 10 0 CEAELP CCc1cc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)nc(C)[nH+]1 ZINC000088760615 135057139 /nfs/dbraw/zinc/05/71/39/135057139.db2.gz WYPJXWMLKUZZOZ-GJZGRUSLSA-N 2 2 274.412 2.458 10 0 CEAELP CCc1cc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)nc(C)[nH+]1 ZINC000088760668 135057316 /nfs/dbraw/zinc/05/73/16/135057316.db2.gz YJOZLZGIASIDBM-KGLIPLIRSA-N 2 2 262.401 2.314 10 0 CEAELP CC(C)[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000093068424 135078828 /nfs/dbraw/zinc/07/88/28/135078828.db2.gz ZFXIXSUCXDFNII-JKSUJKDBSA-N 2 2 290.455 2.226 10 0 CEAELP C[C@@H](C[NH3+])[C@H](C)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000093068718 135079082 /nfs/dbraw/zinc/07/90/82/135079082.db2.gz UKHXLAYPUYQFCU-STQMWFEESA-N 2 2 281.831 2.445 10 0 CEAELP Cc1[nH+]cc(C[NH2+]CC2CC(O)C2)n1-c1ccccc1 ZINC000092129196 394659438 /nfs/dbraw/zinc/65/94/38/394659438.db2.gz HCBIVDPUUYPSLN-UHFFFAOYSA-N 2 2 271.364 2.041 10 0 CEAELP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887050 395228235 /nfs/dbraw/zinc/22/82/35/395228235.db2.gz JPHRHWZVFOMXPT-GOSISDBHSA-N 3 2 287.451 2.383 10 0 CEAELP C[C@]1(C[NH2+]C2CC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000397887050 395228240 /nfs/dbraw/zinc/22/82/40/395228240.db2.gz JPHRHWZVFOMXPT-GOSISDBHSA-N 3 2 287.451 2.383 10 0 CEAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000649577089 396195956 /nfs/dbraw/zinc/19/59/56/396195956.db2.gz XRGZXXDCBVHNJP-HUUCEWRRSA-N 2 2 254.418 2.002 10 0 CEAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000649577089 396195959 /nfs/dbraw/zinc/19/59/59/396195959.db2.gz XRGZXXDCBVHNJP-HUUCEWRRSA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000168592955 297468409 /nfs/dbraw/zinc/46/84/09/297468409.db2.gz MOOOZMCNGJXNBD-UONOGXRCSA-N 2 2 299.459 2.173 10 0 CEAELP COc1ccccc1CC[N@H+](C)CC[NH2+]C(C)C ZINC000181269267 165337358 /nfs/dbraw/zinc/33/73/58/165337358.db2.gz JNOQYQGBDVUXQA-UHFFFAOYSA-N 2 2 250.386 2.168 10 0 CEAELP COc1ccccc1CC[N@@H+](C)CC[NH2+]C(C)C ZINC000181269267 165337361 /nfs/dbraw/zinc/33/73/61/165337361.db2.gz JNOQYQGBDVUXQA-UHFFFAOYSA-N 2 2 250.386 2.168 10 0 CEAELP C[C@](C[NH3+])(CCc1ccccc1)[NH+]1CCSCC1 ZINC000020257126 171111436 /nfs/dbraw/zinc/11/14/36/171111436.db2.gz IZWKIEZVZDHURV-OAHLLOKOSA-N 2 2 264.438 2.385 10 0 CEAELP CC(C)NC(=O)[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000020360780 171159398 /nfs/dbraw/zinc/15/93/98/171159398.db2.gz GPGZFDYLYODTJB-OAHLLOKOSA-N 2 2 291.439 2.011 10 0 CEAELP CC(C)NC(=O)[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000020360780 171159400 /nfs/dbraw/zinc/15/94/00/171159400.db2.gz GPGZFDYLYODTJB-OAHLLOKOSA-N 2 2 291.439 2.011 10 0 CEAELP Cc1ncsc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037320428 173120759 /nfs/dbraw/zinc/12/07/59/173120759.db2.gz OVVABXQZEJGNEZ-MWLCHTKSSA-N 2 2 250.371 2.387 10 0 CEAELP CSCC[C@H](C[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000037472125 173227284 /nfs/dbraw/zinc/22/72/84/173227284.db2.gz HWAZXBUMRMBSAZ-LLVKDONJSA-N 2 2 256.440 2.187 10 0 CEAELP CSCC[C@H](C[NH3+])[N@H+]1CCc2sccc2C1 ZINC000037472125 173227285 /nfs/dbraw/zinc/22/72/85/173227285.db2.gz HWAZXBUMRMBSAZ-LLVKDONJSA-N 2 2 256.440 2.187 10 0 CEAELP COCC[NH+](CCOC)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000037489473 173231281 /nfs/dbraw/zinc/23/12/81/173231281.db2.gz VQXWUYGDRMDSOU-MRXNPFEDSA-N 2 2 294.439 2.206 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000038087987 174100352 /nfs/dbraw/zinc/10/03/52/174100352.db2.gz YIQPIAQCEDFNES-UONOGXRCSA-N 3 2 255.450 2.037 10 0 CEAELP Cn1c2ccc(C(F)(F)F)cc2[nH+]c1CCC[NH3+] ZINC000040417110 174256189 /nfs/dbraw/zinc/25/61/89/174256189.db2.gz RHVUCZMUSNWRNC-UHFFFAOYSA-N 2 2 257.259 2.483 10 0 CEAELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc2c(c1)OCCO2 ZINC000040638742 174362902 /nfs/dbraw/zinc/36/29/02/174362902.db2.gz KINAMCBNSNQXEX-GFCCVEGCSA-N 2 2 287.363 2.085 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(Cl)s1 ZINC000040638913 174363324 /nfs/dbraw/zinc/36/33/24/174363324.db2.gz WPRHIHNUSZAIRX-UHFFFAOYSA-N 2 2 255.774 2.467 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000040639219 174363798 /nfs/dbraw/zinc/36/37/98/174363798.db2.gz XRNFQAKGVFUYJS-OAHLLOKOSA-N 2 2 255.365 2.110 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693645 174377173 /nfs/dbraw/zinc/37/71/73/174377173.db2.gz KPCPHLOJFRURCN-NVXWUHKLSA-N 3 2 279.472 2.454 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccccc2)no1 ZINC000040749988 174395276 /nfs/dbraw/zinc/39/52/76/174395276.db2.gz HJERVWMDBHBEOL-AGUYFDCRSA-N 2 2 284.363 2.191 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC000040749988 174395277 /nfs/dbraw/zinc/39/52/77/174395277.db2.gz HJERVWMDBHBEOL-AGUYFDCRSA-N 2 2 284.363 2.191 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043334496 175010750 /nfs/dbraw/zinc/01/07/50/175010750.db2.gz GPIGYUFCTOYIMO-UMVBOHGHSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+]1CCCC[C@@H]1CCO ZINC000043334496 175010751 /nfs/dbraw/zinc/01/07/51/175010751.db2.gz GPIGYUFCTOYIMO-UMVBOHGHSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043340471 175014763 /nfs/dbraw/zinc/01/47/63/175014763.db2.gz WUMUFOVNZHYITF-RDJZCZTQSA-N 3 2 290.455 2.134 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCOC)CC(C)C ZINC000043347896 175017909 /nfs/dbraw/zinc/01/79/09/175017909.db2.gz HQSSGNXAXNNWBB-JKSUJKDBSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCOC)CC(C)C ZINC000043347896 175017910 /nfs/dbraw/zinc/01/79/10/175017910.db2.gz HQSSGNXAXNNWBB-JKSUJKDBSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353161 175020387 /nfs/dbraw/zinc/02/03/87/175020387.db2.gz HWLJIHKWHHEPHG-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353161 175020389 /nfs/dbraw/zinc/02/03/89/175020389.db2.gz HWLJIHKWHHEPHG-SJORKVTESA-N 2 2 284.407 2.430 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353155 175020411 /nfs/dbraw/zinc/02/04/11/175020411.db2.gz BTZKELTVFORBMN-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353155 175020412 /nfs/dbraw/zinc/02/04/12/175020412.db2.gz BTZKELTVFORBMN-CJNGLKHVSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(OC)CC1 ZINC000043364102 175025040 /nfs/dbraw/zinc/02/50/40/175025040.db2.gz XABACJWXVAJWCG-ZFWWWQNUSA-N 2 2 266.385 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811482 175110725 /nfs/dbraw/zinc/11/07/25/175110725.db2.gz GCAVOAQLPVBVFK-XGUBFFRZSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@H]1CCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811482 175110726 /nfs/dbraw/zinc/11/07/26/175110726.db2.gz GCAVOAQLPVBVFK-XGUBFFRZSA-N 2 2 254.418 2.406 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[NH+](CC(C)C)CC(C)C)OCCO2 ZINC000043909583 175123419 /nfs/dbraw/zinc/12/34/19/175123419.db2.gz PZZFYMURBOBVBG-JKSUJKDBSA-N 2 2 298.471 2.484 10 0 CEAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@H+](C)CCOC)cc1 ZINC000043915619 175125203 /nfs/dbraw/zinc/12/52/03/175125203.db2.gz FYFUWXUQQLRHSK-CJNGLKHVSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)[N@@H+](C)CCOC)cc1 ZINC000043915619 175125205 /nfs/dbraw/zinc/12/52/05/175125205.db2.gz FYFUWXUQQLRHSK-CJNGLKHVSA-N 2 2 264.413 2.476 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967030 175128035 /nfs/dbraw/zinc/12/80/35/175128035.db2.gz NYXKTMKOGSFVRR-PFSRBDOWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967030 175128036 /nfs/dbraw/zinc/12/80/36/175128036.db2.gz NYXKTMKOGSFVRR-PFSRBDOWSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCCO1 ZINC000043966616 175128115 /nfs/dbraw/zinc/12/81/15/175128115.db2.gz MYUKNXOYDIBYJM-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCCO1 ZINC000043966616 175128116 /nfs/dbraw/zinc/12/81/16/175128116.db2.gz MYUKNXOYDIBYJM-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969651 175130613 /nfs/dbraw/zinc/13/06/13/175130613.db2.gz AWIMRAFNVOQYOI-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969651 175130614 /nfs/dbraw/zinc/13/06/14/175130614.db2.gz AWIMRAFNVOQYOI-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CO[C@@H]1C[NH2+][C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089770 175304700 /nfs/dbraw/zinc/30/47/00/175304700.db2.gz RLPABYQAXXWJLH-QLFBSQMISA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@@H]1C[NH2+][C@@H](C[N@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000045089770 175304702 /nfs/dbraw/zinc/30/47/02/175304702.db2.gz RLPABYQAXXWJLH-QLFBSQMISA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045106350 175308258 /nfs/dbraw/zinc/30/82/58/175308258.db2.gz VMSRVJJTIHFZTH-UONOGXRCSA-N 2 2 251.374 2.211 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369953 175363925 /nfs/dbraw/zinc/36/39/25/175363925.db2.gz LUMJVYLIJVOUFO-MRXNPFEDSA-N 2 2 277.412 2.065 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH2+]C)C(N)=O)c1ccccc1C ZINC000045369953 175363926 /nfs/dbraw/zinc/36/39/26/175363926.db2.gz LUMJVYLIJVOUFO-MRXNPFEDSA-N 2 2 277.412 2.065 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381890 175369730 /nfs/dbraw/zinc/36/97/30/175369730.db2.gz AGAPDYKQCIFLBE-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381890 175369732 /nfs/dbraw/zinc/36/97/32/175369732.db2.gz AGAPDYKQCIFLBE-MRXNPFEDSA-N 2 2 284.444 2.428 10 0 CEAELP [NH3+][C@H]1CCC[C@H](c2[nH+]c3ccccc3n2CCO)C1 ZINC000070555605 175984082 /nfs/dbraw/zinc/98/40/82/175984082.db2.gz DHOMHIMEHNOACC-RYUDHWBXSA-N 2 2 259.353 2.014 10 0 CEAELP CC[C@@]1(C)C[C@H]([NH2+][C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000070988086 176018486 /nfs/dbraw/zinc/01/84/86/176018486.db2.gz HKRQUDITXLDAAI-KFWWJZLASA-N 2 2 252.402 2.018 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)C1 ZINC000071123875 176035262 /nfs/dbraw/zinc/03/52/62/176035262.db2.gz AOMDKCXZKWZDIT-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000071123875 176035263 /nfs/dbraw/zinc/03/52/63/176035263.db2.gz AOMDKCXZKWZDIT-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000071198238 176077278 /nfs/dbraw/zinc/07/72/78/176077278.db2.gz JHJZNOWWTQEOLK-OAHLLOKOSA-N 2 2 292.423 2.320 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000071198238 176077279 /nfs/dbraw/zinc/07/72/79/176077279.db2.gz JHJZNOWWTQEOLK-OAHLLOKOSA-N 2 2 292.423 2.320 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000071300577 176113445 /nfs/dbraw/zinc/11/34/45/176113445.db2.gz BCGVRKOSVJVPJD-BLLLJJGKSA-N 2 2 271.364 2.294 10 0 CEAELP CC[N@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071313911 176120313 /nfs/dbraw/zinc/12/03/13/176120313.db2.gz ROCXUKHMGNKUBW-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP CC[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000071313911 176120316 /nfs/dbraw/zinc/12/03/16/176120316.db2.gz ROCXUKHMGNKUBW-ZDUSSCGKSA-N 2 2 268.788 2.403 10 0 CEAELP CCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000071359164 176137309 /nfs/dbraw/zinc/13/73/09/176137309.db2.gz POZWZVPCNDTASX-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000071359164 176137312 /nfs/dbraw/zinc/13/73/12/176137312.db2.gz POZWZVPCNDTASX-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@@H+]1CCn1cccn1 ZINC000071359014 176137961 /nfs/dbraw/zinc/13/79/61/176137961.db2.gz PBTDDSXXGFDHEO-OAHLLOKOSA-N 2 2 276.428 2.270 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCC2)C[N@H+]1CCn1cccn1 ZINC000071359014 176137963 /nfs/dbraw/zinc/13/79/63/176137963.db2.gz PBTDDSXXGFDHEO-OAHLLOKOSA-N 2 2 276.428 2.270 10 0 CEAELP c1cnn(CC[N@@H+]2CC3(CCCC3)[NH2+]CC23CCCC3)c1 ZINC000071359114 176138015 /nfs/dbraw/zinc/13/80/15/176138015.db2.gz QKVLBCXBRDKVIE-UHFFFAOYSA-N 2 2 288.439 2.414 10 0 CEAELP c1cnn(CC[N@H+]2CC3(CCCC3)[NH2+]CC23CCCC3)c1 ZINC000071359114 176138016 /nfs/dbraw/zinc/13/80/16/176138016.db2.gz QKVLBCXBRDKVIE-UHFFFAOYSA-N 2 2 288.439 2.414 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000079047899 177421496 /nfs/dbraw/zinc/42/14/96/177421496.db2.gz HNQSODKBKLSOJI-YOGCLGLASA-N 2 2 256.353 2.032 10 0 CEAELP Cc1[nH+]cc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)n1C ZINC000497205725 262105844 /nfs/dbraw/zinc/10/58/44/262105844.db2.gz YTGIQCDQLKCCQG-LLVKDONJSA-N 2 2 296.415 2.121 10 0 CEAELP Fc1ccc(Br)cc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000259102054 270329422 /nfs/dbraw/zinc/32/94/22/270329422.db2.gz SDVVTUUPWOXERW-LLVKDONJSA-N 2 2 287.176 2.082 10 0 CEAELP Cc1[nH+]c(-c2ccccc2)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000045947076 274835568 /nfs/dbraw/zinc/83/55/68/274835568.db2.gz YPYGQPINIOBXII-AWEZNQCLSA-N 2 2 268.364 2.298 10 0 CEAELP c1ccc2[nH+]c(N3CC[N@H+]4CCCC[C@H]4C3)[nH]c2c1 ZINC000270547495 275069005 /nfs/dbraw/zinc/06/90/05/275069005.db2.gz FCRWTDRQZITOER-LBPRGKRZSA-N 2 2 256.353 2.237 10 0 CEAELP c1ccc2[nH+]c(N3CC[N@@H+]4CCCC[C@H]4C3)[nH]c2c1 ZINC000270547495 275069006 /nfs/dbraw/zinc/06/90/06/275069006.db2.gz FCRWTDRQZITOER-LBPRGKRZSA-N 2 2 256.353 2.237 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]CC=C(C)C)nc[nH+]1 ZINC000237060402 277301898 /nfs/dbraw/zinc/30/18/98/277301898.db2.gz ZGPXBHQDRNOWIC-CYBMUJFWSA-N 2 2 275.400 2.043 10 0 CEAELP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@@H+]1CCOC[C@H]1C ZINC000301873052 278287437 /nfs/dbraw/zinc/28/74/37/278287437.db2.gz JGJKSTNYANSXMH-NWDGAFQWSA-N 2 2 274.368 2.084 10 0 CEAELP C[C@@H](CNc1[nH]c2ccccc2[nH+]1)[N@H+]1CCOC[C@H]1C ZINC000301873052 278287438 /nfs/dbraw/zinc/28/74/38/278287438.db2.gz JGJKSTNYANSXMH-NWDGAFQWSA-N 2 2 274.368 2.084 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336813178 279133251 /nfs/dbraw/zinc/13/32/51/279133251.db2.gz BUEKRZYXFQJZLK-OAHLLOKOSA-N 2 2 267.461 2.179 10 0 CEAELP COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1OC ZINC000234978694 295297814 /nfs/dbraw/zinc/29/78/14/295297814.db2.gz MZJPDTPTYQMPPA-TZMCWYRMSA-N 2 2 278.396 2.263 10 0 CEAELP COc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1OC ZINC000234978694 295297816 /nfs/dbraw/zinc/29/78/16/295297816.db2.gz MZJPDTPTYQMPPA-TZMCWYRMSA-N 2 2 278.396 2.263 10 0 CEAELP Cc1nc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)sc1C ZINC000571651932 314100382 /nfs/dbraw/zinc/10/03/82/314100382.db2.gz IRGAMXVIDDMNBW-PWSUYJOCSA-N 2 2 253.415 2.238 10 0 CEAELP CC(C)C[NH+](CC(C)C)[C@@H](C)C[C@](C)([NH2+]C1CC1)C(N)=O ZINC000068628998 519713778 /nfs/dbraw/zinc/71/37/78/519713778.db2.gz OMCCDBCMZBNSKU-YOEHRIQHSA-N 2 2 297.487 2.375 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCOC[C@H]1C ZINC000052475799 519748141 /nfs/dbraw/zinc/74/81/41/519748141.db2.gz WKBXMBLAFOZOOI-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCOC[C@H]1C ZINC000052475799 519748142 /nfs/dbraw/zinc/74/81/42/519748142.db2.gz WKBXMBLAFOZOOI-CYBMUJFWSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@@H+]1CCOC[C@@H]1C ZINC000052475800 519747936 /nfs/dbraw/zinc/74/79/36/519747936.db2.gz WKBXMBLAFOZOOI-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[N@H+]1CCOC[C@@H]1C ZINC000052475800 519747937 /nfs/dbraw/zinc/74/79/37/519747937.db2.gz WKBXMBLAFOZOOI-ZDUSSCGKSA-N 2 2 266.385 2.246 10 0 CEAELP CCCNC(=O)CC[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CCC)C2 ZINC000054602575 519870819 /nfs/dbraw/zinc/87/08/19/519870819.db2.gz VMBXTSFAGUHQMV-MQVJKMGUSA-N 2 2 295.471 2.288 10 0 CEAELP CCCNC(=O)CC[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]CCC)C2 ZINC000054602575 519870820 /nfs/dbraw/zinc/87/08/20/519870820.db2.gz VMBXTSFAGUHQMV-MQVJKMGUSA-N 2 2 295.471 2.288 10 0 CEAELP CCC[NH2+]C[C@@H](CC)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515221 519921048 /nfs/dbraw/zinc/92/10/48/519921048.db2.gz DGWBAIXGWMTCMW-OAHLLOKOSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000061230783 519943228 /nfs/dbraw/zinc/94/32/28/519943228.db2.gz MAYQTWGPGXRUPY-GFCCVEGCSA-N 2 2 272.352 2.056 10 0 CEAELP CCCNc1cc(C[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000052720876 520135409 /nfs/dbraw/zinc/13/54/09/520135409.db2.gz LPORDEUYPSKMCH-UHFFFAOYSA-N 2 2 276.428 2.430 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[NH+]1CCC(C)(C)CC1)OCCO2 ZINC000061819713 520214397 /nfs/dbraw/zinc/21/43/97/520214397.db2.gz ZNRMDMFAERTPGD-GJZGRUSLSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C[NH+]2CCCC2)CC1 ZINC000049150130 521584606 /nfs/dbraw/zinc/58/46/06/521584606.db2.gz MAIUVULSZHBMSM-CABCVRRESA-N 3 2 267.461 2.181 10 0 CEAELP C[NH+](C)CCNCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000053375010 521789840 /nfs/dbraw/zinc/78/98/40/521789840.db2.gz WWFZPPZECIXRCN-UHFFFAOYSA-N 2 2 289.467 2.092 10 0 CEAELP C[NH+](C)Cc1nc(C[C@H]([NH3+])c2ccccc2)cs1 ZINC000051965903 521937056 /nfs/dbraw/zinc/93/70/56/521937056.db2.gz WGRGWKYPJVRSPI-ZDUSSCGKSA-N 2 2 261.394 2.447 10 0 CEAELP C[NH2+]C(C)(C)C(=O)Nc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000061300664 521943718 /nfs/dbraw/zinc/94/37/18/521943718.db2.gz RXBXVVYEMUFVEN-UHFFFAOYSA-N 2 2 292.770 2.462 10 0 CEAELP CCc1[nH+]c2cc(N)ccc2n1CCn1cc[nH+]c1 ZINC000052855542 522486877 /nfs/dbraw/zinc/48/68/77/522486877.db2.gz QDJURDKDLJTIKJ-UHFFFAOYSA-N 2 2 255.325 2.078 10 0 CEAELP C[N@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502618 523127645 /nfs/dbraw/zinc/12/76/45/523127645.db2.gz DRMOCZKAVYJBBC-WBVHZDCISA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+](C[C@H]1CCCO1)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502618 523127655 /nfs/dbraw/zinc/12/76/55/523127655.db2.gz DRMOCZKAVYJBBC-WBVHZDCISA-N 2 2 285.391 2.345 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1CC ZINC000374210179 523478523 /nfs/dbraw/zinc/47/85/23/523478523.db2.gz TYWKVTUPERMVMB-HUUCEWRRSA-N 2 2 276.428 2.352 10 0 CEAELP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1CC ZINC000374210179 523478534 /nfs/dbraw/zinc/47/85/34/523478534.db2.gz TYWKVTUPERMVMB-HUUCEWRRSA-N 2 2 276.428 2.352 10 0 CEAELP C[N@H+]([C@H](C[NH3+])c1cccc2cccnc21)C1CCOCC1 ZINC000069502526 523627695 /nfs/dbraw/zinc/62/76/95/523627695.db2.gz ZXUAGRCFEAZABD-MRXNPFEDSA-N 2 2 285.391 2.345 10 0 CEAELP C[N@@H+]([C@H](C[NH3+])c1cccc2cccnc21)C1CCOCC1 ZINC000069502526 523627701 /nfs/dbraw/zinc/62/77/01/523627701.db2.gz ZXUAGRCFEAZABD-MRXNPFEDSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@H+]([C@@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502652 523780263 /nfs/dbraw/zinc/78/02/63/523780263.db2.gz FEPFXSOQGIOHNB-KRWDZBQOSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[N@@H+]([C@@H](C[NH3+])c1ccc2ncccc2c1)C1CC1 ZINC000069502652 523780268 /nfs/dbraw/zinc/78/02/68/523780268.db2.gz FEPFXSOQGIOHNB-KRWDZBQOSA-N 2 2 285.391 2.345 10 0 CEAELP COCC[NH2+]C[C@H](C)Cc1[nH+]cc(C)c(OC)c1C ZINC000054659921 523942509 /nfs/dbraw/zinc/94/25/09/523942509.db2.gz MSSSVSKFDYBILL-LLVKDONJSA-N 2 2 266.385 2.122 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000156038375 524027470 /nfs/dbraw/zinc/02/74/70/524027470.db2.gz UUNKVNZEDUPTTP-LLVKDONJSA-N 2 2 286.322 2.220 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1OC(F)F ZINC000156038375 524027474 /nfs/dbraw/zinc/02/74/74/524027474.db2.gz UUNKVNZEDUPTTP-LLVKDONJSA-N 2 2 286.322 2.220 10 0 CEAELP Cc1cc(C)c(C(N)=S)c(N[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000049186056 524248105 /nfs/dbraw/zinc/24/81/05/524248105.db2.gz FNVCCHJJCFBCIG-GFCCVEGCSA-N 2 2 292.452 2.229 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621153 524630818 /nfs/dbraw/zinc/63/08/18/524630818.db2.gz ZZLQFZDRJXYHAA-MLGOLLRUSA-N 2 2 281.444 2.026 10 0 CEAELP C[C@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCC1 ZINC000068621153 524630824 /nfs/dbraw/zinc/63/08/24/524630824.db2.gz ZZLQFZDRJXYHAA-MLGOLLRUSA-N 2 2 281.444 2.026 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382750 524640187 /nfs/dbraw/zinc/64/01/87/524640187.db2.gz WUBCIGVOSPCSOB-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccoc2C[NH2+]C(C)(C)C)CCO1 ZINC000052382750 524640196 /nfs/dbraw/zinc/64/01/96/524640196.db2.gz WUBCIGVOSPCSOB-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418203 524732627 /nfs/dbraw/zinc/73/26/27/524732627.db2.gz OOAHKCPCDCGQFR-AWEZNQCLSA-N 2 2 291.414 2.336 10 0 CEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757497 524800983 /nfs/dbraw/zinc/80/09/83/524800983.db2.gz VBGQYXQEKMSPIK-CPUCHLNUSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757497 524800988 /nfs/dbraw/zinc/80/09/88/524800988.db2.gz VBGQYXQEKMSPIK-CPUCHLNUSA-N 2 2 292.423 2.320 10 0 CEAELP C[C@@H]1C[N@@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@H](C)O1 ZINC000052180769 524935504 /nfs/dbraw/zinc/93/55/04/524935504.db2.gz TVEGOGYPSOIJKC-GASCZTMLSA-N 2 2 298.471 2.281 10 0 CEAELP C[C@@H]1C[N@H+](CC2(C[NH2+]C(C)(C)C)CCOCC2)C[C@H](C)O1 ZINC000052180769 524935514 /nfs/dbraw/zinc/93/55/14/524935514.db2.gz TVEGOGYPSOIJKC-GASCZTMLSA-N 2 2 298.471 2.281 10 0 CEAELP C[C@@H]([NH3+])Cc1[nH+]ccn1CCCOc1ccccc1 ZINC000062802928 525000947 /nfs/dbraw/zinc/00/09/47/525000947.db2.gz CNZMPPVWBBOIPJ-CYBMUJFWSA-N 2 2 259.353 2.242 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757565 525015764 /nfs/dbraw/zinc/01/57/64/525015764.db2.gz KKEKCGQFNWENQI-DAXOMENPSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757565 525015772 /nfs/dbraw/zinc/01/57/72/525015772.db2.gz KKEKCGQFNWENQI-DAXOMENPSA-N 2 2 280.387 2.451 10 0 CEAELP Cc1cc2[nH+]cn(-c3ccnc(C(N)=[NH2+])c3)c2cc1C ZINC000061814412 525682962 /nfs/dbraw/zinc/68/29/62/525682962.db2.gz PVCFPMDFVXMBHB-UHFFFAOYSA-N 2 2 265.320 2.321 10 0 CEAELP Cc1cc2[nH+]cn(Cc3cccnc3C(N)=[NH2+])c2cc1C ZINC000061658438 525686672 /nfs/dbraw/zinc/68/66/72/525686672.db2.gz SHCLMYWVTXHZAZ-UHFFFAOYSA-N 2 2 279.347 2.381 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757288 525756090 /nfs/dbraw/zinc/75/60/90/525756090.db2.gz CJSNUSRWYWQETC-HZPDHXFCSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757288 525756097 /nfs/dbraw/zinc/75/60/97/525756097.db2.gz CJSNUSRWYWQETC-HZPDHXFCSA-N 2 2 262.397 2.232 10 0 CEAELP [NH3+]C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccccc1 ZINC000050514003 527207897 /nfs/dbraw/zinc/20/78/97/527207897.db2.gz MOKWCORLJGXTTL-KRWDZBQOSA-N 2 2 270.376 2.181 10 0 CEAELP [NH3+]C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccccc1 ZINC000050514003 527207901 /nfs/dbraw/zinc/20/79/01/527207901.db2.gz MOKWCORLJGXTTL-KRWDZBQOSA-N 2 2 270.376 2.181 10 0 CEAELP Cc1[nH+]ccn1CCN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000068693710 527427575 /nfs/dbraw/zinc/42/75/75/527427575.db2.gz OWJMVAVFIHUAFS-QGZVFWFLSA-N 2 2 284.407 2.012 10 0 CEAELP CC[C@H]1CN(c2[nH+]c3ccccc3n2C)CC[C@H]1[NH3+] ZINC000251734180 574508356 /nfs/dbraw/zinc/50/83/56/574508356.db2.gz KOBKYMUYRJIAAM-NWDGAFQWSA-N 2 2 258.369 2.137 10 0 CEAELP C[NH+](C)CC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083390994 178395770 /nfs/dbraw/zinc/39/57/70/178395770.db2.gz YQSLUHWQTNDKNQ-UHFFFAOYSA-N 2 2 251.761 2.473 10 0 CEAELP Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1Cl ZINC000083390820 178395897 /nfs/dbraw/zinc/39/58/97/178395897.db2.gz JHLZONOLQBGLFK-UHFFFAOYSA-N 2 2 251.717 2.101 10 0 CEAELP Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1Cl ZINC000083390820 178395898 /nfs/dbraw/zinc/39/58/98/178395898.db2.gz JHLZONOLQBGLFK-UHFFFAOYSA-N 2 2 251.717 2.101 10 0 CEAELP Fc1cc(Br)ccc1-n1c[nH+]cc1C1C[NH2+]C1 ZINC000097009154 185150876 /nfs/dbraw/zinc/15/08/76/185150876.db2.gz QKZDGQGGERSSIE-UHFFFAOYSA-N 2 2 296.143 2.461 10 0 CEAELP COc1ccc([C@@H]([NH3+])C[NH3+])cc1OCc1ccccc1 ZINC000044469126 362153864 /nfs/dbraw/zinc/15/38/64/362153864.db2.gz ZMTMTUNRTBGCSZ-AWEZNQCLSA-N 2 2 272.348 2.233 10 0 CEAELP CCCc1cc(N2CC[NH2+]CC2)nc(C(C)(C)C)[nH+]1 ZINC000117033450 344287890 /nfs/dbraw/zinc/28/78/90/344287890.db2.gz BTAKRXXDPHBOAH-UHFFFAOYSA-N 2 2 262.401 2.136 10 0 CEAELP CCc1ccc(C[NH2+]C[C@H]2C[N@H+](CC)CCO2)cc1 ZINC000134435487 344374395 /nfs/dbraw/zinc/37/43/95/344374395.db2.gz UYAPOANUMODGFM-INIZCTEOSA-N 2 2 262.397 2.059 10 0 CEAELP CCc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC)CCO2)cc1 ZINC000134435487 344374396 /nfs/dbraw/zinc/37/43/96/344374396.db2.gz UYAPOANUMODGFM-INIZCTEOSA-N 2 2 262.397 2.059 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)c(C)c1 ZINC000384426105 344828306 /nfs/dbraw/zinc/82/83/06/344828306.db2.gz ULJKWJJYNGXIAE-MRXNPFEDSA-N 2 2 276.424 2.158 10 0 CEAELP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)c(C)c1 ZINC000384426105 344828309 /nfs/dbraw/zinc/82/83/09/344828309.db2.gz ULJKWJJYNGXIAE-MRXNPFEDSA-N 2 2 276.424 2.158 10 0 CEAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(Cl)cc1 ZINC000399009667 344856158 /nfs/dbraw/zinc/85/61/58/344856158.db2.gz WRWAUYDCFFWIMP-LBPRGKRZSA-N 2 2 282.815 2.447 10 0 CEAELP Cc1cc(C)cc([N@H+](C)CCC[C@](C)(O)C[NH3+])c1 ZINC000085303714 179011477 /nfs/dbraw/zinc/01/14/77/179011477.db2.gz WQRFIXWGTTXACC-HNNXBMFYSA-N 2 2 250.386 2.230 10 0 CEAELP Cc1cc(C)cc([N@@H+](C)CCC[C@](C)(O)C[NH3+])c1 ZINC000085303714 179011478 /nfs/dbraw/zinc/01/14/78/179011478.db2.gz WQRFIXWGTTXACC-HNNXBMFYSA-N 2 2 250.386 2.230 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)C1(C)C ZINC000085397871 179050324 /nfs/dbraw/zinc/05/03/24/179050324.db2.gz WWEGHORDAXBGNS-IHRRRGAJSA-N 2 2 256.434 2.366 10 0 CEAELP CCOCC[N@@H+]1CC(C)(C)[NH2+]CC12CCCCC2 ZINC000085471489 179075921 /nfs/dbraw/zinc/07/59/21/179075921.db2.gz XKVDRUZLEDSKGR-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CCOCC[N@H+]1CC(C)(C)[NH2+]CC12CCCCC2 ZINC000085471489 179075923 /nfs/dbraw/zinc/07/59/23/179075923.db2.gz XKVDRUZLEDSKGR-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515103 179086427 /nfs/dbraw/zinc/08/64/27/179086427.db2.gz CCQLONQMAIILKG-HRCADAONSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085515103 179086428 /nfs/dbraw/zinc/08/64/28/179086428.db2.gz CCQLONQMAIILKG-HRCADAONSA-N 2 2 266.429 2.408 10 0 CEAELP CCC1(CC)C[N@H+](C[C@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519904 179088139 /nfs/dbraw/zinc/08/81/39/179088139.db2.gz KDGKZSDINFBTEG-CYBMUJFWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC1(CC)C[N@@H+](C[C@H]2CCCO2)C(C)(C)C[NH2+]1 ZINC000085519904 179088140 /nfs/dbraw/zinc/08/81/40/179088140.db2.gz KDGKZSDINFBTEG-CYBMUJFWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@H]1C[NH2+][C@@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085523168 179088969 /nfs/dbraw/zinc/08/89/69/179088969.db2.gz JTSBVZXWLJGFLZ-JKSUJKDBSA-N 2 2 276.428 2.126 10 0 CEAELP CC(C)(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085526616 179089441 /nfs/dbraw/zinc/08/94/41/179089441.db2.gz FQORMZHUXFMCPW-CVEARBPZSA-N 2 2 290.455 2.372 10 0 CEAELP COCCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085528999 179090553 /nfs/dbraw/zinc/09/05/53/179090553.db2.gz IFLUMXDICTXIEU-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP COCCC[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085528999 179090556 /nfs/dbraw/zinc/09/05/56/179090556.db2.gz IFLUMXDICTXIEU-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C2CC2)CN1CCn1cc[nH+]c1C ZINC000085528840 179091236 /nfs/dbraw/zinc/09/12/36/179091236.db2.gz KLUWOXAHOMBYGG-MRXNPFEDSA-N 2 2 290.455 2.434 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@H](C(C)C)C2)C1 ZINC000085608415 179101289 /nfs/dbraw/zinc/10/12/89/179101289.db2.gz VDHLMASKVCGDSK-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@H](C(C)C)C2)C1 ZINC000085608415 179101291 /nfs/dbraw/zinc/10/12/91/179101291.db2.gz VDHLMASKVCGDSK-ILXRZTDVSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611947 179102071 /nfs/dbraw/zinc/10/20/71/179102071.db2.gz LHFPLQAJOLBNOH-NSHDSACASA-N 2 2 268.323 2.029 10 0 CEAELP CCC[C@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611947 179102072 /nfs/dbraw/zinc/10/20/72/179102072.db2.gz LHFPLQAJOLBNOH-NSHDSACASA-N 2 2 268.323 2.029 10 0 CEAELP CCC1(CC)C[N@H+](CCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000085617444 179104280 /nfs/dbraw/zinc/10/42/80/179104280.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 3 2 264.417 2.046 10 0 CEAELP CCC1(CC)C[N@@H+](CCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000085617444 179104282 /nfs/dbraw/zinc/10/42/82/179104282.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 3 2 264.417 2.046 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1OC ZINC000085615878 179104576 /nfs/dbraw/zinc/10/45/76/179104576.db2.gz NXCVLDXCGIUMBF-HNNXBMFYSA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1OC ZINC000085615878 179104577 /nfs/dbraw/zinc/10/45/77/179104577.db2.gz NXCVLDXCGIUMBF-HNNXBMFYSA-N 2 2 290.407 2.278 10 0 CEAELP Cc1cc([C@@H](C[NH3+])[NH+](C)C)ccc1Br ZINC000085707104 179121956 /nfs/dbraw/zinc/12/19/56/179121956.db2.gz DNFAXCJWASFWDV-LLVKDONJSA-N 2 2 257.175 2.319 10 0 CEAELP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1Cc1[nH+]ccn1C ZINC000086264797 179260838 /nfs/dbraw/zinc/26/08/38/179260838.db2.gz SZNFMPJFSMRQBV-HOCLYGCPSA-N 2 2 276.428 2.019 10 0 CEAELP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1Cc1[nH+]ccn1C ZINC000086264892 179260895 /nfs/dbraw/zinc/26/08/95/179260895.db2.gz WRSWLRHEVILHOL-ZIAGYGMSSA-N 2 2 278.444 2.265 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291436 179265222 /nfs/dbraw/zinc/26/52/22/179265222.db2.gz QSLSKMQMGJRCST-HOCLYGCPSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291436 179265224 /nfs/dbraw/zinc/26/52/24/179265224.db2.gz QSLSKMQMGJRCST-HOCLYGCPSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292441 179266245 /nfs/dbraw/zinc/26/62/45/179266245.db2.gz VDNJSNHYBWMUKA-ILXRZTDVSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](C[C@@H]2CCCOC2)CCC[NH2+]1 ZINC000086292441 179266246 /nfs/dbraw/zinc/26/62/46/179266246.db2.gz VDNJSNHYBWMUKA-ILXRZTDVSA-N 2 2 254.418 2.123 10 0 CEAELP CC[C@]1(C)C[N@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296413 179267246 /nfs/dbraw/zinc/26/72/46/179267246.db2.gz YAACEOUSBVKZQP-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP CC[C@]1(C)C[N@@H+](Cc2ccc(OC)nc2)CCC[NH2+]1 ZINC000086296413 179267247 /nfs/dbraw/zinc/26/72/47/179267247.db2.gz YAACEOUSBVKZQP-OAHLLOKOSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295856 179267637 /nfs/dbraw/zinc/26/76/37/179267637.db2.gz RJMWMIIPHWUUSI-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP CCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)CCC[NH2+]1 ZINC000086295856 179267639 /nfs/dbraw/zinc/26/76/39/179267639.db2.gz RJMWMIIPHWUUSI-CQSZACIVSA-N 2 2 276.380 2.379 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297890 179267789 /nfs/dbraw/zinc/26/77/89/179267789.db2.gz NRTCFLXQFXJFJN-JSGCOSHPSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297890 179267791 /nfs/dbraw/zinc/26/77/91/179267791.db2.gz NRTCFLXQFXJFJN-JSGCOSHPSA-N 2 2 267.442 2.396 10 0 CEAELP CC[C@@]1(C)C[N@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297130 179268390 /nfs/dbraw/zinc/26/83/90/179268390.db2.gz WIIWEOZVRBMKJV-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CC[C@@]1(C)C[N@@H+](Cc2scnc2C)CCC[NH2+]1 ZINC000086297130 179268391 /nfs/dbraw/zinc/26/83/91/179268391.db2.gz WIIWEOZVRBMKJV-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP CCC(CC)(CC)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000086643057 179315925 /nfs/dbraw/zinc/31/59/25/179315925.db2.gz UTFBGBOAKHUAOY-HNNXBMFYSA-N 2 2 295.471 2.288 10 0 CEAELP CCC(CC)(CC)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000086643057 179315926 /nfs/dbraw/zinc/31/59/26/179315926.db2.gz UTFBGBOAKHUAOY-HNNXBMFYSA-N 2 2 295.471 2.288 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CCc3sccc3C2)CCCOCC1 ZINC000086874754 179364712 /nfs/dbraw/zinc/36/47/12/179364712.db2.gz IGVIIVSYIFDRPI-CQSZACIVSA-N 2 2 266.410 2.004 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CCc3sccc3C2)CCCOCC1 ZINC000086874754 179364714 /nfs/dbraw/zinc/36/47/14/179364714.db2.gz IGVIIVSYIFDRPI-CQSZACIVSA-N 2 2 266.410 2.004 10 0 CEAELP CC1(C)CCC[C@@](C[NH3+])(N2CCn3cc[nH+]c3C2)CC1 ZINC000086913313 179367117 /nfs/dbraw/zinc/36/71/17/179367117.db2.gz USENLFISJDBJFZ-MRXNPFEDSA-N 2 2 276.428 2.387 10 0 CEAELP CC(C)(C)[C@@H]1CCC[C@](C(N)=O)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086959771 179368635 /nfs/dbraw/zinc/36/86/35/179368635.db2.gz MMCSKCYXFJALDN-PBHICJAKSA-N 2 2 295.471 2.132 10 0 CEAELP CC(C)(C)[C@@H]1CCC[C@](C(N)=O)([N@H+]2CCC[NH2+]CC2)CC1 ZINC000086959771 179368637 /nfs/dbraw/zinc/36/86/37/179368637.db2.gz MMCSKCYXFJALDN-PBHICJAKSA-N 2 2 295.471 2.132 10 0 CEAELP OC1(C[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCC1 ZINC000087016464 179380536 /nfs/dbraw/zinc/38/05/36/179380536.db2.gz JFAZCUIFCSODCN-QGZVFWFLSA-N 2 2 288.435 2.198 10 0 CEAELP OC1(C[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCC1 ZINC000087016464 179380539 /nfs/dbraw/zinc/38/05/39/179380539.db2.gz JFAZCUIFCSODCN-QGZVFWFLSA-N 2 2 288.435 2.198 10 0 CEAELP CC1(C)CCC(O)(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000087063616 179390076 /nfs/dbraw/zinc/39/00/76/179390076.db2.gz CPJGGTAGUSBOJV-UHFFFAOYSA-N 2 2 265.401 2.194 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616621145 348537115 /nfs/dbraw/zinc/53/71/15/348537115.db2.gz PIAXAUUYPLGMEP-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616621145 348537116 /nfs/dbraw/zinc/53/71/16/348537116.db2.gz PIAXAUUYPLGMEP-CQSZACIVSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2nccc3ccccc32)C1 ZINC000616621936 348538019 /nfs/dbraw/zinc/53/80/19/348538019.db2.gz VMFFTGPIYJCSQB-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2nccc3ccccc32)C1 ZINC000616621936 348538021 /nfs/dbraw/zinc/53/80/21/348538021.db2.gz VMFFTGPIYJCSQB-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400712783 233181449 /nfs/dbraw/zinc/18/14/49/233181449.db2.gz DVSANVXTLQVXSD-WDEREUQCSA-N 2 2 268.788 2.436 10 0 CEAELP CCCN(Cc1c[nH+]cn1CCC)[C@@H]1CCC[NH2+]C1 ZINC000090206579 179932811 /nfs/dbraw/zinc/93/28/11/179932811.db2.gz NQFISAZBQQYVGF-CQSZACIVSA-N 2 2 264.417 2.257 10 0 CEAELP CCCn1c[nH+]cc1[C@@H](C[NH3+])N(C)c1cccc(OC)c1 ZINC000090206000 179933076 /nfs/dbraw/zinc/93/30/76/179933076.db2.gz NJCVVQCHPRYUDA-OAHLLOKOSA-N 2 2 288.395 2.438 10 0 CEAELP COC(C[C@@H](C[NH3+])[NH+]1CCC2(CCCCC2)CC1)OC ZINC000090625316 180015713 /nfs/dbraw/zinc/01/57/13/180015713.db2.gz CBEFZTUVPGUVBN-AWEZNQCLSA-N 2 2 284.444 2.369 10 0 CEAELP COC(=O)c1cc(NCC[NH+](C(C)C)C(C)C)cc[nH+]1 ZINC000090736973 180034371 /nfs/dbraw/zinc/03/43/71/180034371.db2.gz ZKWSMPAHAMKKFI-UHFFFAOYSA-N 2 2 279.384 2.399 10 0 CEAELP CCC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876258 180050990 /nfs/dbraw/zinc/05/09/90/180050990.db2.gz OKVYRQGZUKYGQE-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[N@@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090876258 180050991 /nfs/dbraw/zinc/05/09/91/180050991.db2.gz OKVYRQGZUKYGQE-CVEARBPZSA-N 2 2 274.408 2.454 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906163 180060762 /nfs/dbraw/zinc/06/07/62/180060762.db2.gz NNIAEEIEMOXUHI-TUKIKUTGSA-N 2 2 276.380 2.078 10 0 CEAELP COc1ccc([C@H](C)[NH3+])cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906163 180060763 /nfs/dbraw/zinc/06/07/63/180060763.db2.gz NNIAEEIEMOXUHI-TUKIKUTGSA-N 2 2 276.380 2.078 10 0 CEAELP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906015 180061090 /nfs/dbraw/zinc/06/10/90/180061090.db2.gz XQLFBDPQGGHHED-WQVCFCJDSA-N 2 2 290.407 2.468 10 0 CEAELP CCOc1ccc([C@@H](C)[NH3+])cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906015 180061092 /nfs/dbraw/zinc/06/10/92/180061092.db2.gz XQLFBDPQGGHHED-WQVCFCJDSA-N 2 2 290.407 2.468 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019544 180087743 /nfs/dbraw/zinc/08/77/43/180087743.db2.gz LYWOPZFHDSNZIR-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ncccc12 ZINC000091019544 180087745 /nfs/dbraw/zinc/08/77/45/180087745.db2.gz LYWOPZFHDSNZIR-ZDUSSCGKSA-N 2 2 258.369 2.137 10 0 CEAELP C[NH2+]Cc1cn(CCCn2cc[nH+]c2)c2ncccc12 ZINC000091019286 180087799 /nfs/dbraw/zinc/08/77/99/180087799.db2.gz AWZXWOCMNPZZBE-UHFFFAOYSA-N 2 2 269.352 2.043 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[NH+]1CCC(C)(CC)CC1 ZINC000091322907 180134570 /nfs/dbraw/zinc/13/45/70/180134570.db2.gz SMHRQOYXAJPQRP-CQSZACIVSA-N 2 2 283.460 2.084 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000091322911 180134682 /nfs/dbraw/zinc/13/46/82/180134682.db2.gz KKFVMJMMHPOAII-OAHLLOKOSA-N 2 2 295.471 2.228 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091273574 180117862 /nfs/dbraw/zinc/11/78/62/180117862.db2.gz XLGPPWHVCDGASN-HZPDHXFCSA-N 2 2 271.364 2.384 10 0 CEAELP COc1ccccc1N(C)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276471 180119561 /nfs/dbraw/zinc/11/95/61/180119561.db2.gz HZOPYPUMHZDPKI-AWEZNQCLSA-N 2 2 286.379 2.363 10 0 CEAELP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1cncn1C1CC1 ZINC000091277085 180119890 /nfs/dbraw/zinc/11/98/90/180119890.db2.gz VPVDSUPBJGOYSR-ZDUSSCGKSA-N 2 2 262.401 2.182 10 0 CEAELP C[NH2+]CC[C@@H]1CCCC[N@H+]1Cc1cncn1C1CC1 ZINC000091277085 180119891 /nfs/dbraw/zinc/11/98/91/180119891.db2.gz VPVDSUPBJGOYSR-ZDUSSCGKSA-N 2 2 262.401 2.182 10 0 CEAELP C[NH2+]CC[C@@H]1CCCCN1Cc1c[nH+]cn1C1CC1 ZINC000091277085 180119894 /nfs/dbraw/zinc/11/98/94/180119894.db2.gz VPVDSUPBJGOYSR-ZDUSSCGKSA-N 2 2 262.401 2.182 10 0 CEAELP COc1ccccc1N(C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276472 180120235 /nfs/dbraw/zinc/12/02/35/180120235.db2.gz HZOPYPUMHZDPKI-CQSZACIVSA-N 2 2 286.379 2.363 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccs1)[N@H+](C)CC1CC(O)C1 ZINC000091451650 180158616 /nfs/dbraw/zinc/15/86/16/180158616.db2.gz NCBDVLFNZWZHNK-YZVRNYIASA-N 2 2 268.426 2.229 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccs1)[N@@H+](C)CC1CC(O)C1 ZINC000091451650 180158617 /nfs/dbraw/zinc/15/86/17/180158617.db2.gz NCBDVLFNZWZHNK-YZVRNYIASA-N 2 2 268.426 2.229 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461019 180161897 /nfs/dbraw/zinc/16/18/97/180161897.db2.gz JDPKNEFDXHGJDJ-ZGBLGHFFSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461019 180161898 /nfs/dbraw/zinc/16/18/98/180161898.db2.gz JDPKNEFDXHGJDJ-ZGBLGHFFSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1Cl)[N@H+](C)CC1CC(O)C1 ZINC000091464574 180162950 /nfs/dbraw/zinc/16/29/50/180162950.db2.gz KFZWZIUNRVGFSR-ZIULKBFBSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccccc1Cl)[N@@H+](C)CC1CC(O)C1 ZINC000091464574 180162952 /nfs/dbraw/zinc/16/29/52/180162952.db2.gz KFZWZIUNRVGFSR-ZIULKBFBSA-N 2 2 282.815 2.431 10 0 CEAELP CC(C)([C@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCCC1 ZINC000091567662 180194644 /nfs/dbraw/zinc/19/46/44/180194644.db2.gz ZFVZONHZHDRAJS-CQSZACIVSA-N 2 2 277.412 2.222 10 0 CEAELP CC(C)(C(=O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCCC1 ZINC000091567271 180195105 /nfs/dbraw/zinc/19/51/05/180195105.db2.gz DHUBPKWJEZAXNF-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@H](Cc1cnn(C)c1)[NH2+]C ZINC000091599267 180202458 /nfs/dbraw/zinc/20/24/58/180202458.db2.gz XOXSBMUTCIEJAM-GJZGRUSLSA-N 2 2 266.433 2.061 10 0 CEAELP CC[NH2+][C@H](Cc1cnn(C)c1)[C@@](C)(CC)[NH+](CC)CC ZINC000091600391 180202614 /nfs/dbraw/zinc/20/26/14/180202614.db2.gz BONVNAJPKMRFII-HZPDHXFCSA-N 2 2 280.460 2.451 10 0 CEAELP CCn1ncnc1C[C@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091610060 180205003 /nfs/dbraw/zinc/20/50/03/180205003.db2.gz RWYVQABUXGQXIV-GOEBONIOSA-N 2 2 293.459 2.083 10 0 CEAELP CC[C@@](C)([C@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609537 180205137 /nfs/dbraw/zinc/20/51/37/180205137.db2.gz DSPKWGHGIBZJGK-ZBFHGGJFSA-N 2 2 293.459 2.383 10 0 CEAELP CC[C@](C)([C@@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCC1 ZINC000091609004 180205996 /nfs/dbraw/zinc/20/59/96/180205996.db2.gz BEHQXPMGCVWSFK-GOEBONIOSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091609004 180205997 /nfs/dbraw/zinc/20/59/97/180205997.db2.gz BEHQXPMGCVWSFK-GOEBONIOSA-N 2 2 276.428 2.188 10 0 CEAELP C[NH2+][C@H](Cc1ccn(C2CCCC2)n1)C(C)(C)[NH+](C)C ZINC000091528615 180180396 /nfs/dbraw/zinc/18/03/96/180180396.db2.gz AOZDTWILOZBWQH-OAHLLOKOSA-N 2 2 278.444 2.469 10 0 CEAELP C[NH2+][C@H](Cc1ccc(F)cc1F)C(C)(C)[NH+](C)C ZINC000091528798 180180812 /nfs/dbraw/zinc/18/08/12/180180812.db2.gz LQGAVNXZUIYHTQ-CYBMUJFWSA-N 2 2 256.340 2.436 10 0 CEAELP CCC(CC)([C@@H]([NH3+])C1CCOCC1)[NH+]1CCCC1 ZINC000091634707 180211091 /nfs/dbraw/zinc/21/10/91/180211091.db2.gz TZISWCGCMSNVFY-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP CCN(CC)C1([C@H](Cc2c[nH+]ccc2N)[NH2+]C)CCCC1 ZINC000091639460 180212149 /nfs/dbraw/zinc/21/21/49/180212149.db2.gz GJRFFBKBLHJZHD-INIZCTEOSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)C1([C@H](Cc2c[nH+]ccc2N)NC)CCCC1 ZINC000091639460 180212151 /nfs/dbraw/zinc/21/21/51/180212151.db2.gz GJRFFBKBLHJZHD-INIZCTEOSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)C1(C(=O)Cc2cc[nH+]c(N)c2)CCCC1 ZINC000091638557 180212366 /nfs/dbraw/zinc/21/23/66/180212366.db2.gz HWCLQJZBBOGKCE-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP [NH3+][C@@H](CCC[C@@H]1CCCO1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643074 180213963 /nfs/dbraw/zinc/21/39/63/180213963.db2.gz YDHBDKUUONRBAU-CVEARBPZSA-N 2 2 296.455 2.308 10 0 CEAELP CCCn1cc([C@@H](CC[NH+](CC)CC)[NH2+]C)cn1 ZINC000091716260 180232731 /nfs/dbraw/zinc/23/27/31/180232731.db2.gz FUQDWUOIAZTLIG-CQSZACIVSA-N 2 2 252.406 2.286 10 0 CEAELP C[NH2+][C@H](c1ccccc1C)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720890 180235345 /nfs/dbraw/zinc/23/53/45/180235345.db2.gz BUCPLVINVWZYBL-VNQPRFMTSA-N 2 2 260.381 2.119 10 0 CEAELP C[NH2+][C@H](c1ccccc1C)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720890 180235346 /nfs/dbraw/zinc/23/53/46/180235346.db2.gz BUCPLVINVWZYBL-VNQPRFMTSA-N 2 2 260.381 2.119 10 0 CEAELP CCOc1ccc([C@H]([NH2+]C)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721040 180236482 /nfs/dbraw/zinc/23/64/82/180236482.db2.gz CSHHRGVQWKBFKD-PVAVHDDUSA-N 2 2 290.407 2.209 10 0 CEAELP CCOc1ccc([C@H]([NH2+]C)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721040 180236483 /nfs/dbraw/zinc/23/64/83/180236483.db2.gz CSHHRGVQWKBFKD-PVAVHDDUSA-N 2 2 290.407 2.209 10 0 CEAELP CC[NH2+][C@H](c1ccccc1F)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721775 180238693 /nfs/dbraw/zinc/23/86/93/180238693.db2.gz YUNNLMCUSURNKY-DAXOMENPSA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1ccccc1F)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721775 180238695 /nfs/dbraw/zinc/23/86/95/180238695.db2.gz YUNNLMCUSURNKY-DAXOMENPSA-N 2 2 278.371 2.340 10 0 CEAELP CCC[NH2+][C@H](C)c1cnc([C@H]2C[N@H+](C)CCO2)s1 ZINC000091722509 180239973 /nfs/dbraw/zinc/23/99/73/180239973.db2.gz XGVIMDMKEWGOSM-GHMZBOCLSA-N 2 2 269.414 2.207 10 0 CEAELP CCC[NH2+][C@H](C)c1cnc([C@H]2C[N@@H+](C)CCO2)s1 ZINC000091722509 180239975 /nfs/dbraw/zinc/23/99/75/180239975.db2.gz XGVIMDMKEWGOSM-GHMZBOCLSA-N 2 2 269.414 2.207 10 0 CEAELP C[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)[NH+]1CCCC1 ZINC000092021869 180307792 /nfs/dbraw/zinc/30/77/92/180307792.db2.gz XKVDCBZXCABFHL-HNNXBMFYSA-N 2 2 284.407 2.446 10 0 CEAELP Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)[nH+]cc1N ZINC000092027422 180309263 /nfs/dbraw/zinc/30/92/63/180309263.db2.gz QLNSRMCDRCTOPL-ZDUSSCGKSA-N 2 2 260.385 2.037 10 0 CEAELP CCC[NH2+]CCc1c(CC)nc(C[NH+](C)C)nc1CC ZINC000092318672 180361950 /nfs/dbraw/zinc/36/19/50/180361950.db2.gz HTRDVUFFAWSREJ-UHFFFAOYSA-N 2 2 278.444 2.205 10 0 CEAELP Cc1cc(NC(=O)[C@@H](C[NH3+])Cc2ccccc2)cc[nH+]1 ZINC000092349303 180367541 /nfs/dbraw/zinc/36/75/41/180367541.db2.gz VCWKMPCGGVSLSN-CQSZACIVSA-N 2 2 269.348 2.146 10 0 CEAELP CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897825 186086030 /nfs/dbraw/zinc/08/60/30/186086030.db2.gz CKRRZSMBIRKNET-STQMWFEESA-N 2 2 279.384 2.034 10 0 CEAELP CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897825 186086032 /nfs/dbraw/zinc/08/60/32/186086032.db2.gz CKRRZSMBIRKNET-STQMWFEESA-N 2 2 279.384 2.034 10 0 CEAELP [NH3+]C[C@@]1([NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000109431850 186252221 /nfs/dbraw/zinc/25/22/21/186252221.db2.gz CAJACCPUYGNMOM-HNNXBMFYSA-N 2 2 252.402 2.151 10 0 CEAELP CC(C)[N@H+](Cc1cccs1)[C@]1(C[NH3+])CCOC1 ZINC000109431695 186252452 /nfs/dbraw/zinc/25/24/52/186252452.db2.gz YJEBZQDLOXOPSD-ZDUSSCGKSA-N 2 2 254.399 2.076 10 0 CEAELP CC(C)[N@@H+](Cc1cccs1)[C@]1(C[NH3+])CCOC1 ZINC000109431695 186252453 /nfs/dbraw/zinc/25/24/53/186252453.db2.gz YJEBZQDLOXOPSD-ZDUSSCGKSA-N 2 2 254.399 2.076 10 0 CEAELP CC[NH+]1CCC([NH2+]Cc2[nH]nnc2-c2ccccc2)CC1 ZINC000110925041 186333308 /nfs/dbraw/zinc/33/33/08/186333308.db2.gz KNYWQGXJMMGKJD-UHFFFAOYSA-N 2 2 285.395 2.046 10 0 CEAELP CC[N@H+]([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110935795 186334803 /nfs/dbraw/zinc/33/48/03/186334803.db2.gz PVDGBSDXPWDBSU-UONOGXRCSA-N 2 2 264.417 2.172 10 0 CEAELP CC[N@@H+]([C@@H](C)c1c(C)nn(C)c1C)[C@@H]1CCC[NH2+]C1 ZINC000110935795 186334805 /nfs/dbraw/zinc/33/48/05/186334805.db2.gz PVDGBSDXPWDBSU-UONOGXRCSA-N 2 2 264.417 2.172 10 0 CEAELP CC[N@H+](Cc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936255 186335107 /nfs/dbraw/zinc/33/51/07/186335107.db2.gz QTHPAMLGQKRPRN-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@@H]1CCC[NH2+]C1 ZINC000110936255 186335109 /nfs/dbraw/zinc/33/51/09/186335109.db2.gz QTHPAMLGQKRPRN-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159382 186361538 /nfs/dbraw/zinc/36/15/38/186361538.db2.gz IEUFLDUNVXONKL-UKRRQHHQSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159382 186361539 /nfs/dbraw/zinc/36/15/39/186361539.db2.gz IEUFLDUNVXONKL-UKRRQHHQSA-N 2 2 254.418 2.252 10 0 CEAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111158587 186362424 /nfs/dbraw/zinc/36/24/24/186362424.db2.gz IMIQLYUGASFVSL-YOEHRIQHSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000111158587 186362426 /nfs/dbraw/zinc/36/24/26/186362426.db2.gz IMIQLYUGASFVSL-YOEHRIQHSA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000111117319 186354876 /nfs/dbraw/zinc/35/48/76/186354876.db2.gz HJYANTDZGTYAAT-AWEZNQCLSA-N 2 2 296.411 2.062 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(OC)c(OC)c1 ZINC000111117319 186354878 /nfs/dbraw/zinc/35/48/78/186354878.db2.gz HJYANTDZGTYAAT-AWEZNQCLSA-N 2 2 296.411 2.062 10 0 CEAELP CCOCC[N@H+](CC)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000111118552 186355519 /nfs/dbraw/zinc/35/55/19/186355519.db2.gz KLUBEXYPHGMFCD-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP CCOCC[N@@H+](CC)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000111118552 186355521 /nfs/dbraw/zinc/35/55/21/186355521.db2.gz KLUBEXYPHGMFCD-HNNXBMFYSA-N 2 2 266.385 2.053 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150054 186359698 /nfs/dbraw/zinc/35/96/98/186359698.db2.gz RUOPBXIQMGTKEP-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+](C)CCC[NH+](C)C ZINC000111150054 186359700 /nfs/dbraw/zinc/35/97/00/186359700.db2.gz RUOPBXIQMGTKEP-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+](C)CCC[NH+](C)C ZINC000111150115 186359893 /nfs/dbraw/zinc/35/98/93/186359893.db2.gz YUSFDSUPZQSHFQ-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+](C)CCC[NH+](C)C ZINC000111150115 186359894 /nfs/dbraw/zinc/35/98/94/186359894.db2.gz YUSFDSUPZQSHFQ-UHFFFAOYSA-N 3 2 281.444 2.409 10 0 CEAELP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325122 186399163 /nfs/dbraw/zinc/39/91/63/186399163.db2.gz XDBKWZZRBIBNRM-HNNXBMFYSA-N 2 2 266.385 2.036 10 0 CEAELP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325122 186399165 /nfs/dbraw/zinc/39/91/65/186399165.db2.gz XDBKWZZRBIBNRM-HNNXBMFYSA-N 2 2 266.385 2.036 10 0 CEAELP CO[C@@H]1C[N@H+](CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361543 351711873 /nfs/dbraw/zinc/71/18/73/351711873.db2.gz JQNYBDBETMEDTM-DZGCQCFKSA-N 2 2 280.437 2.217 10 0 CEAELP CO[C@@H]1C[N@@H+](CCSc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630361543 351711875 /nfs/dbraw/zinc/71/18/75/351711875.db2.gz JQNYBDBETMEDTM-DZGCQCFKSA-N 2 2 280.437 2.217 10 0 CEAELP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101808 189028796 /nfs/dbraw/zinc/02/87/96/189028796.db2.gz ZVAQKMVLAJREQC-MRXNPFEDSA-N 2 2 299.374 2.334 10 0 CEAELP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101808 189028797 /nfs/dbraw/zinc/02/87/97/189028797.db2.gz ZVAQKMVLAJREQC-MRXNPFEDSA-N 2 2 299.374 2.334 10 0 CEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@H]21 ZINC000228551224 283589048 /nfs/dbraw/zinc/58/90/48/283589048.db2.gz UDMYZKJRADVWKY-QJPTWQEYSA-N 2 2 256.353 2.127 10 0 CEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000180262124 189247352 /nfs/dbraw/zinc/24/73/52/189247352.db2.gz HDWIOGLLIKQQPU-UONOGXRCSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000180262124 189247353 /nfs/dbraw/zinc/24/73/53/189247353.db2.gz HDWIOGLLIKQQPU-UONOGXRCSA-N 2 2 270.380 2.003 10 0 CEAELP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400442678 299321886 /nfs/dbraw/zinc/32/18/86/299321886.db2.gz MUONQSVPAZMOTE-UGUYLWEFSA-N 3 2 267.461 2.085 10 0 CEAELP Cc1[nH+]c2ccccc2c(NC[C@@H]2CN3CC[NH+]2CC3)c1C ZINC000302098759 201341554 /nfs/dbraw/zinc/34/15/54/201341554.db2.gz UDQHZHRNPWVZCM-OAHLLOKOSA-N 2 2 296.418 2.263 10 0 CEAELP CCn1c[nH+]cc1CN[C@H](C[NH+](C)C)c1ccccc1 ZINC000090169964 364044413 /nfs/dbraw/zinc/04/44/13/364044413.db2.gz HCFLLTJFHKPFLR-MRXNPFEDSA-N 2 2 272.396 2.296 10 0 CEAELP C[NH2+][C@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095075707 364333581 /nfs/dbraw/zinc/33/35/81/364333581.db2.gz ABIPJBCGWZQDKB-HZPDHXFCSA-N 2 2 262.397 2.012 10 0 CEAELP C[NH2+][C@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095075707 364333585 /nfs/dbraw/zinc/33/35/85/364333585.db2.gz ABIPJBCGWZQDKB-HZPDHXFCSA-N 2 2 262.397 2.012 10 0 CEAELP Cn1c[nH+]cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000116374559 365052714 /nfs/dbraw/zinc/05/27/14/365052714.db2.gz BYBLJQGFDVTTTH-UHFFFAOYSA-N 2 2 262.382 2.436 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000120181845 365386108 /nfs/dbraw/zinc/38/61/08/365386108.db2.gz HALWSPCHPQLCIF-AWEZNQCLSA-N 2 2 276.384 2.338 10 0 CEAELP Cc1ccc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631843312 367585692 /nfs/dbraw/zinc/58/56/92/367585692.db2.gz MDXHFQHNBKVGIU-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Cl ZINC000631843312 367585699 /nfs/dbraw/zinc/58/56/99/367585699.db2.gz MDXHFQHNBKVGIU-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000173345863 367899718 /nfs/dbraw/zinc/89/97/18/367899718.db2.gz POVUWTBLIZYLLJ-OCCSQVGLSA-N 2 2 298.377 2.462 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000176921949 368254914 /nfs/dbraw/zinc/25/49/14/368254914.db2.gz ZXMZZJJPKGDULD-NEPJUHHUSA-N 2 2 283.803 2.016 10 0 CEAELP CC[C@H]1CN(c2cc[nH+]cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000176921949 368254915 /nfs/dbraw/zinc/25/49/15/368254915.db2.gz ZXMZZJJPKGDULD-NEPJUHHUSA-N 2 2 283.803 2.016 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246963859 371039588 /nfs/dbraw/zinc/03/95/88/371039588.db2.gz BCYQBFLAUDXKEV-UONOGXRCSA-N 2 2 293.411 2.424 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246963859 371039591 /nfs/dbraw/zinc/03/95/91/371039591.db2.gz BCYQBFLAUDXKEV-UONOGXRCSA-N 2 2 293.411 2.424 10 0 CEAELP c1[nH+]c2ccccn2c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247641557 371131294 /nfs/dbraw/zinc/13/12/94/371131294.db2.gz OMNMEZNTHIVAOZ-AWEZNQCLSA-N 2 2 270.380 2.004 10 0 CEAELP c1[nH+]c2ccccn2c1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000247641557 371131300 /nfs/dbraw/zinc/13/13/00/371131300.db2.gz OMNMEZNTHIVAOZ-AWEZNQCLSA-N 2 2 270.380 2.004 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1[NH3+] ZINC000262034395 371806779 /nfs/dbraw/zinc/80/67/79/371806779.db2.gz OJUGRKMTGCNJJI-YOEHRIQHSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1[NH3+] ZINC000262034395 371806784 /nfs/dbraw/zinc/80/67/84/371806784.db2.gz OJUGRKMTGCNJJI-YOEHRIQHSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089360 371821866 /nfs/dbraw/zinc/82/18/66/371821866.db2.gz UROOZXNVSBRPEW-PBHICJAKSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089360 371821871 /nfs/dbraw/zinc/82/18/71/371821871.db2.gz UROOZXNVSBRPEW-PBHICJAKSA-N 2 2 297.402 2.440 10 0 CEAELP CCOCc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000262118814 371825987 /nfs/dbraw/zinc/82/59/87/371825987.db2.gz XCBHRFLUIZUUJR-WFASDCNBSA-N 2 2 278.396 2.011 10 0 CEAELP CCOCc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccc1OC ZINC000262118814 371825988 /nfs/dbraw/zinc/82/59/88/371825988.db2.gz XCBHRFLUIZUUJR-WFASDCNBSA-N 2 2 278.396 2.011 10 0 CEAELP C[N@H+](Cc1cc(F)cc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262107584 220222702 /nfs/dbraw/zinc/22/27/02/220222702.db2.gz WDCZKSGTBBBEBW-CQSZACIVSA-N 2 2 254.324 2.396 10 0 CEAELP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262107584 220222706 /nfs/dbraw/zinc/22/27/06/220222706.db2.gz WDCZKSGTBBBEBW-CQSZACIVSA-N 2 2 254.324 2.396 10 0 CEAELP CCc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)nc(C)[nH+]1 ZINC000272808010 373665238 /nfs/dbraw/zinc/66/52/38/373665238.db2.gz BYBDUJMEOOYXOI-AWEZNQCLSA-N 2 2 271.368 2.213 10 0 CEAELP Cc1nc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cs1 ZINC000383337580 375200168 /nfs/dbraw/zinc/20/01/68/375200168.db2.gz JGCPRLLVOXILIA-GBIKHYSHSA-N 2 2 253.415 2.429 10 0 CEAELP Cc1nc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cs1 ZINC000383337580 375200180 /nfs/dbraw/zinc/20/01/80/375200180.db2.gz JGCPRLLVOXILIA-GBIKHYSHSA-N 2 2 253.415 2.429 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389855941 375308487 /nfs/dbraw/zinc/30/84/87/375308487.db2.gz BAPWLQFCMGYRPF-BPQIPLTHSA-N 2 2 287.451 2.191 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389855941 375308493 /nfs/dbraw/zinc/30/84/93/375308493.db2.gz BAPWLQFCMGYRPF-BPQIPLTHSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389855941 375308497 /nfs/dbraw/zinc/30/84/97/375308497.db2.gz BAPWLQFCMGYRPF-BPQIPLTHSA-N 2 2 287.451 2.191 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000389855941 375308500 /nfs/dbraw/zinc/30/85/00/375308500.db2.gz BAPWLQFCMGYRPF-BPQIPLTHSA-N 2 2 287.451 2.191 10 0 CEAELP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000562959200 377036355 /nfs/dbraw/zinc/03/63/55/377036355.db2.gz CNUZTRWATRFGPU-LSDHHAIUSA-N 3 2 267.461 2.229 10 0 CEAELP Cc1cc(C)cc(OCCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300084614 379151386 /nfs/dbraw/zinc/15/13/86/379151386.db2.gz IKQIJRPFEXQMTM-GOEBONIOSA-N 2 2 262.397 2.351 10 0 CEAELP Cc1cc(C)cc(OCCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300084614 379151392 /nfs/dbraw/zinc/15/13/92/379151392.db2.gz IKQIJRPFEXQMTM-GOEBONIOSA-N 2 2 262.397 2.351 10 0 CEAELP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644322 285333866 /nfs/dbraw/zinc/33/38/66/285333866.db2.gz ANDXWFSJNSNIJT-KFNAQCHYSA-N 2 2 296.361 2.072 10 0 CEAELP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261644322 285333868 /nfs/dbraw/zinc/33/38/68/285333868.db2.gz ANDXWFSJNSNIJT-KFNAQCHYSA-N 2 2 296.361 2.072 10 0 CEAELP CCC[NH2+][C@@H](COC)C1([NH+]2CCCC2)CCCC1 ZINC000093550352 184689085 /nfs/dbraw/zinc/68/90/85/184689085.db2.gz RKRFJIIUEAAYBK-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP C[N@H+](Cc1cccnc1)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489220 184809033 /nfs/dbraw/zinc/80/90/33/184809033.db2.gz FZTVTEJIOJFNTG-HNNXBMFYSA-N 2 2 279.453 2.374 10 0 CEAELP C[N@@H+](Cc1cccnc1)[C@@]1(C[NH3+])CSCC(C)(C)C1 ZINC000094489220 184809034 /nfs/dbraw/zinc/80/90/34/184809034.db2.gz FZTVTEJIOJFNTG-HNNXBMFYSA-N 2 2 279.453 2.374 10 0 CEAELP [NH3+][C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000093221047 135079658 /nfs/dbraw/zinc/07/96/58/135079658.db2.gz GWYNLDIHVTWIRB-OLZOCXBDSA-N 2 2 279.815 2.342 10 0 CEAELP C[C@@H]1CCC[C@@H](C[N@@H+]2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000133399809 394951532 /nfs/dbraw/zinc/95/15/32/394951532.db2.gz XDXPYPGKKUCXHD-RBSFLKMASA-N 2 2 254.418 2.075 10 0 CEAELP C[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000133399809 394951534 /nfs/dbraw/zinc/95/15/34/394951534.db2.gz XDXPYPGKKUCXHD-RBSFLKMASA-N 2 2 254.418 2.075 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415076 396148315 /nfs/dbraw/zinc/14/83/15/396148315.db2.gz IPWZCCRDMBFZKT-GJZGRUSLSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415076 396148318 /nfs/dbraw/zinc/14/83/18/396148318.db2.gz IPWZCCRDMBFZKT-GJZGRUSLSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415076 396148320 /nfs/dbraw/zinc/14/83/20/396148320.db2.gz IPWZCCRDMBFZKT-GJZGRUSLSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355627 401493567 /nfs/dbraw/zinc/49/35/67/401493567.db2.gz BNIXYRLFGUFDGH-UONOGXRCSA-N 2 2 264.417 2.413 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355627 401493572 /nfs/dbraw/zinc/49/35/72/401493572.db2.gz BNIXYRLFGUFDGH-UONOGXRCSA-N 2 2 264.417 2.413 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)C12CCOCC2 ZINC000186322805 286282890 /nfs/dbraw/zinc/28/28/90/286282890.db2.gz XBZRNAPVGPUXLF-FVQBIDKESA-N 2 2 296.455 2.033 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)C12CCOCC2 ZINC000186322805 286282891 /nfs/dbraw/zinc/28/28/91/286282891.db2.gz XBZRNAPVGPUXLF-FVQBIDKESA-N 2 2 296.455 2.033 10 0 CEAELP C[C@H]([NH2+][C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCOC1 ZINC000221842268 153310169 /nfs/dbraw/zinc/31/01/69/153310169.db2.gz YOACEURTUHMIIS-NUEKZKHPSA-N 2 2 262.397 2.304 10 0 CEAELP Cc1cc[nH+]c(N[C@@H](C)CC[NH3+])c1Br ZINC000235089526 153432262 /nfs/dbraw/zinc/43/22/62/153432262.db2.gz HUBDMDJCWGNXDQ-QMMMGPOBSA-N 2 2 258.163 2.302 10 0 CEAELP CO[C@@H]1CC[N@H+](Cc2coc3ccccc23)[C@H](C[NH3+])C1 ZINC000167164563 162356633 /nfs/dbraw/zinc/35/66/33/162356633.db2.gz RFHOKODPOITYRY-UONOGXRCSA-N 2 2 274.364 2.371 10 0 CEAELP CO[C@@H]1CC[N@@H+](Cc2coc3ccccc23)[C@H](C[NH3+])C1 ZINC000167164563 162356635 /nfs/dbraw/zinc/35/66/35/162356635.db2.gz RFHOKODPOITYRY-UONOGXRCSA-N 2 2 274.364 2.371 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOC(C)C ZINC000178288790 165231740 /nfs/dbraw/zinc/23/17/40/165231740.db2.gz SXYWBVZMGHLZFQ-AWEZNQCLSA-N 2 2 251.374 2.081 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOC(C)C ZINC000178288790 165231743 /nfs/dbraw/zinc/23/17/43/165231743.db2.gz SXYWBVZMGHLZFQ-AWEZNQCLSA-N 2 2 251.374 2.081 10 0 CEAELP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178330587 165234073 /nfs/dbraw/zinc/23/40/73/165234073.db2.gz MLKQGMSKGRMWIF-GWCFXTLKSA-N 2 2 275.356 2.109 10 0 CEAELP Cc1nnc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000178330587 165234078 /nfs/dbraw/zinc/23/40/78/165234078.db2.gz MLKQGMSKGRMWIF-GWCFXTLKSA-N 2 2 275.356 2.109 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC000182148019 165365333 /nfs/dbraw/zinc/36/53/33/165365333.db2.gz QUJJLGVHAQXEFG-OLZOCXBDSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC000182148019 165365335 /nfs/dbraw/zinc/36/53/35/165365335.db2.gz QUJJLGVHAQXEFG-OLZOCXBDSA-N 2 2 251.374 2.117 10 0 CEAELP Cc1csc2nc(C)c(C[NH2+]CCCn3cc[nH+]c3)n12 ZINC000037249257 173061309 /nfs/dbraw/zinc/06/13/09/173061309.db2.gz AXCVGWSSEKMMEH-UHFFFAOYSA-N 2 2 289.408 2.389 10 0 CEAELP CC[NH+](CC)CCn1c(N)[nH+]c2c1cccc2F ZINC000037421259 173198316 /nfs/dbraw/zinc/19/83/16/173198316.db2.gz ICCBQUBMDDPGOP-UHFFFAOYSA-N 2 2 250.321 2.099 10 0 CEAELP CC(C)Cc1noc([C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000038042501 174046729 /nfs/dbraw/zinc/04/67/29/174046729.db2.gz GPDAXOQYCXJRGW-CYBMUJFWSA-N 2 2 278.400 2.157 10 0 CEAELP CC(C)Cc1noc([C@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000038042501 174046731 /nfs/dbraw/zinc/04/67/31/174046731.db2.gz GPDAXOQYCXJRGW-CYBMUJFWSA-N 2 2 278.400 2.157 10 0 CEAELP C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1[nH+]ccn1C ZINC000040638762 174362986 /nfs/dbraw/zinc/36/29/86/174362986.db2.gz ZCODUFNBBTWLEL-CYBMUJFWSA-N 2 2 273.380 2.279 10 0 CEAELP Cc1nc([C@H](C)[NH2+]CCc2[nH+]ccn2C)c(C)s1 ZINC000040638973 174363283 /nfs/dbraw/zinc/36/32/83/174363283.db2.gz JXMYJWPVXRGRNH-VIFPVBQESA-N 2 2 264.398 2.387 10 0 CEAELP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)ccc1O ZINC000040672152 174370367 /nfs/dbraw/zinc/37/03/67/174370367.db2.gz FVBFYQZIJNXGAW-DGCLKSJQSA-N 2 2 264.369 2.146 10 0 CEAELP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)ccc1O ZINC000040672152 174370368 /nfs/dbraw/zinc/37/03/68/174370368.db2.gz FVBFYQZIJNXGAW-DGCLKSJQSA-N 2 2 264.369 2.146 10 0 CEAELP [NH3+]C[C@H]1CCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693669 174377381 /nfs/dbraw/zinc/37/73/81/174377381.db2.gz OJVHXTWCODGJGU-GDBMZVCRSA-N 3 2 265.445 2.064 10 0 CEAELP CC[N@H+](CC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748307 174393085 /nfs/dbraw/zinc/39/30/85/174393085.db2.gz VFPPACHJAHXYAW-XYPWUTKMSA-N 2 2 293.455 2.040 10 0 CEAELP CC[N@@H+](CC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748307 174393086 /nfs/dbraw/zinc/39/30/86/174393086.db2.gz VFPPACHJAHXYAW-XYPWUTKMSA-N 2 2 293.455 2.040 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1F ZINC000040749268 174393872 /nfs/dbraw/zinc/39/38/72/174393872.db2.gz LZFLDYCOCMGMRI-FGWVZKOKSA-N 2 2 252.308 2.419 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1F ZINC000040749268 174393873 /nfs/dbraw/zinc/39/38/73/174393873.db2.gz LZFLDYCOCMGMRI-FGWVZKOKSA-N 2 2 252.308 2.419 10 0 CEAELP CCC[N@H+](Cc1cc(C)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748624 174393960 /nfs/dbraw/zinc/39/39/60/174393960.db2.gz NSICILVOVKOJER-NNQSOWQGSA-N 2 2 263.385 2.478 10 0 CEAELP CCC[N@@H+](Cc1cc(C)on1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748624 174393961 /nfs/dbraw/zinc/39/39/61/174393961.db2.gz NSICILVOVKOJER-NNQSOWQGSA-N 2 2 263.385 2.478 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043324183 175006460 /nfs/dbraw/zinc/00/64/60/175006460.db2.gz OVWOFADGIWWFIE-CQSZACIVSA-N 2 2 299.459 2.317 10 0 CEAELP COCC[N@H+]([C@H](C)C1CC1)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336232 175012345 /nfs/dbraw/zinc/01/23/45/175012345.db2.gz FPPSRDQBVATELK-LALPHHSUSA-N 2 2 266.385 2.415 10 0 CEAELP COCC[N@@H+]([C@H](C)C1CC1)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336232 175012346 /nfs/dbraw/zinc/01/23/46/175012346.db2.gz FPPSRDQBVATELK-LALPHHSUSA-N 2 2 266.385 2.415 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCC1 ZINC000043340869 175014657 /nfs/dbraw/zinc/01/46/57/175014657.db2.gz MQLJJXPKMPVGQQ-HOCLYGCPSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCC1 ZINC000043340869 175014658 /nfs/dbraw/zinc/01/46/58/175014658.db2.gz MQLJJXPKMPVGQQ-HOCLYGCPSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340853 175014810 /nfs/dbraw/zinc/01/48/10/175014810.db2.gz QBCOUFXXIUMOAL-DOTOQJQBSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340853 175014811 /nfs/dbraw/zinc/01/48/11/175014811.db2.gz QBCOUFXXIUMOAL-DOTOQJQBSA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@H+](CC)[C@@H](C)COC ZINC000043348598 175018467 /nfs/dbraw/zinc/01/84/67/175018467.db2.gz WMYHMTWHBOQFKV-CFVMTHIKSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cccnc1)[N@@H+](CC)[C@@H](C)COC ZINC000043348598 175018468 /nfs/dbraw/zinc/01/84/68/175018468.db2.gz WMYHMTWHBOQFKV-CFVMTHIKSA-N 2 2 265.401 2.217 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccccn1 ZINC000043353156 175020173 /nfs/dbraw/zinc/02/01/73/175020173.db2.gz BTZKELTVFORBMN-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccccn1 ZINC000043353156 175020174 /nfs/dbraw/zinc/02/01/74/175020174.db2.gz BTZKELTVFORBMN-XJKSGUPXSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC)C[C@@H]1CCCO1 ZINC000043354170 175021501 /nfs/dbraw/zinc/02/15/01/175021501.db2.gz AMEGNUVCBJWMAO-ARFHVFGLSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC)C[C@@H]1CCCO1 ZINC000043354170 175021503 /nfs/dbraw/zinc/02/15/03/175021503.db2.gz AMEGNUVCBJWMAO-ARFHVFGLSA-N 2 2 277.412 2.361 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CC)[C@@H](C)COC ZINC000043354803 175022491 /nfs/dbraw/zinc/02/24/91/175022491.db2.gz XJNBPESUQILRFF-AEGPPILISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CC)[C@@H](C)COC ZINC000043354803 175022492 /nfs/dbraw/zinc/02/24/92/175022492.db2.gz XJNBPESUQILRFF-AEGPPILISA-N 2 2 265.401 2.217 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043805175 175107688 /nfs/dbraw/zinc/10/76/88/175107688.db2.gz IVQQYHTWDAOCSL-XGUBFFRZSA-N 2 2 254.418 2.121 10 0 CEAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000043805175 175107689 /nfs/dbraw/zinc/10/76/89/175107689.db2.gz IVQQYHTWDAOCSL-XGUBFFRZSA-N 2 2 254.418 2.121 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811296 175110112 /nfs/dbraw/zinc/11/01/12/175110112.db2.gz AWGSKXQCQMJCBY-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811296 175110113 /nfs/dbraw/zinc/11/01/13/175110113.db2.gz AWGSKXQCQMJCBY-LJISPDSOSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811481 175110880 /nfs/dbraw/zinc/11/08/80/175110880.db2.gz GCAVOAQLPVBVFK-BARDWOONSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811481 175110881 /nfs/dbraw/zinc/11/08/81/175110881.db2.gz GCAVOAQLPVBVFK-BARDWOONSA-N 2 2 254.418 2.406 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)C1CCCCC1)OCCO2 ZINC000043815015 175111830 /nfs/dbraw/zinc/11/18/30/175111830.db2.gz KYALIEXRPOKIDZ-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)C1CCCCC1)OCCO2 ZINC000043815015 175111831 /nfs/dbraw/zinc/11/18/31/175111831.db2.gz KYALIEXRPOKIDZ-CABCVRRESA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCCCCC[C@@H]1[NH+](CCOC)CCOC ZINC000043912742 175124441 /nfs/dbraw/zinc/12/44/41/175124441.db2.gz LEMGIJRXHLYMLQ-CVEARBPZSA-N 2 2 286.460 2.282 10 0 CEAELP CCC[NH2+][C@H]1CCCCC[C@@H]1[NH+](CCOC)CCOC ZINC000043912898 175124459 /nfs/dbraw/zinc/12/44/59/175124459.db2.gz HMEYUYYFRXHLSC-HOTGVXAUSA-N 2 2 286.460 2.282 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCCO1 ZINC000043966304 175127976 /nfs/dbraw/zinc/12/79/76/175127976.db2.gz KSFZIOVEZWEBNB-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966304 175127978 /nfs/dbraw/zinc/12/79/78/175127978.db2.gz KSFZIOVEZWEBNB-KKUMJFAQSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967029 175128104 /nfs/dbraw/zinc/12/81/04/175128104.db2.gz NYXKTMKOGSFVRR-NEXFUWMNSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967029 175128105 /nfs/dbraw/zinc/12/81/05/175128105.db2.gz NYXKTMKOGSFVRR-NEXFUWMNSA-N 2 2 254.418 2.264 10 0 CEAELP COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529536 175194279 /nfs/dbraw/zinc/19/42/79/175194279.db2.gz KOQHDCIJGWWROZ-NSHDSACASA-N 2 2 252.333 2.005 10 0 CEAELP COc1ccc(F)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529536 175194281 /nfs/dbraw/zinc/19/42/81/175194281.db2.gz KOQHDCIJGWWROZ-NSHDSACASA-N 2 2 252.333 2.005 10 0 CEAELP CC[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)c1ccccc1C ZINC000045369879 175363593 /nfs/dbraw/zinc/36/35/93/175363593.db2.gz DRPCBLVSRIHUCZ-MRXNPFEDSA-N 2 2 277.412 2.194 10 0 CEAELP CC[N@@H+](CCCC[C@@](C)([NH3+])C(N)=O)c1ccccc1C ZINC000045369879 175363594 /nfs/dbraw/zinc/36/35/94/175363594.db2.gz DRPCBLVSRIHUCZ-MRXNPFEDSA-N 2 2 277.412 2.194 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCC1)C(=O)OC ZINC000045378248 175367465 /nfs/dbraw/zinc/36/74/65/175367465.db2.gz RQYSTSKBHWDZME-HNNXBMFYSA-N 2 2 270.417 2.184 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCCC1)[NH2+]C1CC1 ZINC000045378377 175367472 /nfs/dbraw/zinc/36/74/72/175367472.db2.gz RSXASRFNMFZETN-INIZCTEOSA-N 2 2 282.428 2.326 10 0 CEAELP CC[N@H+](CCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420056 175378813 /nfs/dbraw/zinc/37/88/13/175378813.db2.gz XELXRRHDHVQVDQ-MRXNPFEDSA-N 2 2 277.412 2.065 10 0 CEAELP CC[N@@H+](CCC[C@@](C)([NH2+]C)C(N)=O)c1cccc(C)c1 ZINC000045420056 175378815 /nfs/dbraw/zinc/37/88/15/175378815.db2.gz XELXRRHDHVQVDQ-MRXNPFEDSA-N 2 2 277.412 2.065 10 0 CEAELP OCC1CC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000658352843 415333014 /nfs/dbraw/zinc/33/30/14/415333014.db2.gz ZIRCKQHXKZONOX-CGZBRXJRSA-N 2 2 274.408 2.012 10 0 CEAELP OCC1CC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000658352843 415333021 /nfs/dbraw/zinc/33/30/21/415333021.db2.gz ZIRCKQHXKZONOX-CGZBRXJRSA-N 2 2 274.408 2.012 10 0 CEAELP CC[C@H]1CCC[C@](C[NH3+])([NH+]2CCC(OC)CC2)C1 ZINC000071123292 176035020 /nfs/dbraw/zinc/03/50/20/176035020.db2.gz IRHMWYYCUXQNNP-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125783 176035676 /nfs/dbraw/zinc/03/56/76/176035676.db2.gz LCLMWGYXFMJEEU-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125783 176035677 /nfs/dbraw/zinc/03/56/77/176035677.db2.gz LCLMWGYXFMJEEU-ZBFHGGJFSA-N 2 2 282.428 2.184 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(OC)cc1 ZINC000071139267 176037657 /nfs/dbraw/zinc/03/76/57/176037657.db2.gz WNALJGWYAPFBBH-CYBMUJFWSA-N 2 2 259.353 2.220 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191488 176069921 /nfs/dbraw/zinc/06/99/21/176069921.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191488 176069922 /nfs/dbraw/zinc/06/99/22/176069922.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191488 176069923 /nfs/dbraw/zinc/06/99/23/176069923.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@](C)(C[NH2+]C1CC1)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191488 176069925 /nfs/dbraw/zinc/06/99/25/176069925.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP CC[NH2+][C@H]1CC[N@H+](Cc2scnc2C)C[C@@H]1C ZINC000071213127 176084881 /nfs/dbraw/zinc/08/48/81/176084881.db2.gz SNKHSKXVKUNDKQ-JQWIXIFHSA-N 2 2 253.415 2.271 10 0 CEAELP CC[NH2+][C@H]1CC[N@@H+](Cc2scnc2C)C[C@@H]1C ZINC000071213127 176084882 /nfs/dbraw/zinc/08/48/82/176084882.db2.gz SNKHSKXVKUNDKQ-JQWIXIFHSA-N 2 2 253.415 2.271 10 0 CEAELP CC[C@H](C)[C@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000071342597 176130666 /nfs/dbraw/zinc/13/06/66/176130666.db2.gz PQRCPGVGSHMIBB-DZGCQCFKSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@H](C)[C@H]1CNC(C)(C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000071342597 176130667 /nfs/dbraw/zinc/13/06/67/176130667.db2.gz PQRCPGVGSHMIBB-DZGCQCFKSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@H](C)[C@H]1CNC(C)(C)C[N@H+]1CCn1cc[nH+]c1C ZINC000071342597 176130668 /nfs/dbraw/zinc/13/06/68/176130668.db2.gz PQRCPGVGSHMIBB-DZGCQCFKSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H]1C[NH2+]C(C)(C)CN1Cc1cn2ccccc2[nH+]1 ZINC000071342316 176130679 /nfs/dbraw/zinc/13/06/79/176130679.db2.gz FXEXDCHQWHNOIY-CQSZACIVSA-N 2 2 272.396 2.297 10 0 CEAELP CCC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000071356830 176136962 /nfs/dbraw/zinc/13/69/62/176136962.db2.gz XFWLTABULOIXDE-CVEARBPZSA-N 2 2 278.444 2.434 10 0 CEAELP [NH3+]CCc1ccc(OCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000071399510 176152238 /nfs/dbraw/zinc/15/22/38/176152238.db2.gz PDNNICYLHGUINE-UHFFFAOYSA-N 2 2 299.296 2.482 10 0 CEAELP C[N@H+](CC[NH3+])CCCc1ccccc1Br ZINC000076409620 177019934 /nfs/dbraw/zinc/01/99/34/177019934.db2.gz ZLZCZYJZUVGDGR-UHFFFAOYSA-N 2 2 271.202 2.272 10 0 CEAELP C[N@@H+](CC[NH3+])CCCc1ccccc1Br ZINC000076409620 177019935 /nfs/dbraw/zinc/01/99/35/177019935.db2.gz ZLZCZYJZUVGDGR-UHFFFAOYSA-N 2 2 271.202 2.272 10 0 CEAELP C[NH2+][C@H]1CCC(C)(C)C[C@@H]1[NH+]1CCC(OC)CC1 ZINC000079621631 177528222 /nfs/dbraw/zinc/52/82/22/177528222.db2.gz IAVHOETWNPKWEY-KBPBESRZSA-N 2 2 254.418 2.264 10 0 CEAELP C[N@@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000335180740 277205503 /nfs/dbraw/zinc/20/55/03/277205503.db2.gz RAYJKQSETMKWCH-LSDHHAIUSA-N 2 2 266.429 2.144 10 0 CEAELP C[N@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000335180740 277205505 /nfs/dbraw/zinc/20/55/05/277205505.db2.gz RAYJKQSETMKWCH-LSDHHAIUSA-N 2 2 266.429 2.144 10 0 CEAELP Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000261569932 280566311 /nfs/dbraw/zinc/56/63/11/280566311.db2.gz NVZWTVGELCZTOT-YPMHNXCESA-N 2 2 262.401 2.472 10 0 CEAELP CCCC1CC[NH+](CC[NH2+]C2CCOCC2)CC1 ZINC000062767733 519901719 /nfs/dbraw/zinc/90/17/19/519901719.db2.gz ZNAQTZISXXREFP-UHFFFAOYSA-N 2 2 254.418 2.267 10 0 CEAELP CCC[NH2+][C@@H](C[N@H+](C)CCc1ccncc1)C1CC1 ZINC000069073980 520008391 /nfs/dbraw/zinc/00/83/91/520008391.db2.gz LTUNGYRORHTEHS-INIZCTEOSA-N 2 2 261.413 2.334 10 0 CEAELP CCC[NH2+][C@@H](C[N@@H+](C)CCc1ccncc1)C1CC1 ZINC000069073980 520008394 /nfs/dbraw/zinc/00/83/94/520008394.db2.gz LTUNGYRORHTEHS-INIZCTEOSA-N 2 2 261.413 2.334 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccccc1OC ZINC000052542186 522064548 /nfs/dbraw/zinc/06/45/48/522064548.db2.gz IRNNGPWOXUWIEU-CQSZACIVSA-N 2 2 250.386 2.371 10 0 CEAELP CC(C)N1CC[NH+](Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052480150 519682691 /nfs/dbraw/zinc/68/26/91/519682691.db2.gz UORSKJCDQCEXJA-UHFFFAOYSA-N 2 2 287.451 2.465 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418638 519744485 /nfs/dbraw/zinc/74/44/85/519744485.db2.gz MTSUDVCUHMRFQI-INIZCTEOSA-N 2 2 290.455 2.228 10 0 CEAELP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccs1 ZINC000068802621 519820904 /nfs/dbraw/zinc/82/09/04/519820904.db2.gz BNADLJDSOZRPGB-ZFWWWQNUSA-N 2 2 281.469 2.281 10 0 CEAELP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccs1 ZINC000068802621 519820905 /nfs/dbraw/zinc/82/09/05/519820905.db2.gz BNADLJDSOZRPGB-ZFWWWQNUSA-N 2 2 281.469 2.281 10 0 CEAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374743 519928531 /nfs/dbraw/zinc/92/85/31/519928531.db2.gz HFYANJTWIMRZRU-CQSZACIVSA-N 2 2 279.403 2.336 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000054555354 520219527 /nfs/dbraw/zinc/21/95/27/520219527.db2.gz WIODYYJSBSQOGI-KKUMJFAQSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000054555354 520219520 /nfs/dbraw/zinc/21/95/20/520219520.db2.gz WIODYYJSBSQOGI-KKUMJFAQSA-N 2 2 256.434 2.367 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239627 521041944 /nfs/dbraw/zinc/04/19/44/521041944.db2.gz FOTWTYSWPSFUNM-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC1CC1 ZINC000069239627 521041951 /nfs/dbraw/zinc/04/19/51/521041951.db2.gz FOTWTYSWPSFUNM-INIZCTEOSA-N 2 2 282.428 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)[NH2+]C ZINC000068648695 521150010 /nfs/dbraw/zinc/15/00/10/521150010.db2.gz XLWGVIQPVPVFCX-IUODEOHRSA-N 2 2 281.400 2.499 10 0 CEAELP CCOC(=O)[C@](C)([NH3+])C[C@H](C)[NH+]1Cc2ccccc2C1 ZINC000068641930 521330766 /nfs/dbraw/zinc/33/07/66/521330766.db2.gz UXFMABWWWAMFSQ-BLLLJJGKSA-N 2 2 276.380 2.061 10 0 CEAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc([NH+](C)C)cc1 ZINC000054628242 521956971 /nfs/dbraw/zinc/95/69/71/521956971.db2.gz FLHZWEYMXKXYSH-SFESLNEESA-N 2 2 259.397 2.472 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccccc1OC ZINC000052542186 522064546 /nfs/dbraw/zinc/06/45/46/522064546.db2.gz IRNNGPWOXUWIEU-CQSZACIVSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]Cc1cc(F)c(-n2c[nH+]c(C)c2C)c(F)c1 ZINC000062719840 522111912 /nfs/dbraw/zinc/11/19/12/522111912.db2.gz AQKTUSAXGMJXAD-UHFFFAOYSA-N 2 2 251.280 2.487 10 0 CEAELP COC[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502643 522219241 /nfs/dbraw/zinc/21/92/41/522219241.db2.gz JSJWJYGEALNUSD-DOMZBBRYSA-N 2 2 273.380 2.201 10 0 CEAELP COC[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502643 522219248 /nfs/dbraw/zinc/21/92/48/522219248.db2.gz JSJWJYGEALNUSD-DOMZBBRYSA-N 2 2 273.380 2.201 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc[nH+]c1-c1ccccc1 ZINC000068649040 523818967 /nfs/dbraw/zinc/81/89/67/523818967.db2.gz HJTJFRPLMGOKNG-LRDDRELGSA-N 2 2 287.363 2.392 10 0 CEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccccc1Cl ZINC000049557737 524475432 /nfs/dbraw/zinc/47/54/32/524475432.db2.gz FPWMFIGWDUWJLM-NSHDSACASA-N 2 2 283.803 2.208 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000062245711 525015896 /nfs/dbraw/zinc/01/58/96/525015896.db2.gz IRFURRFOALQZLV-IAQYHMDHSA-N 2 2 290.798 2.441 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cc(F)ccc1F ZINC000151258451 525494951 /nfs/dbraw/zinc/49/49/51/525494951.db2.gz ZTXDSNKSWCXJCD-OCCSQVGLSA-N 2 2 298.377 2.462 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757226 525785742 /nfs/dbraw/zinc/78/57/42/525785742.db2.gz WONMVWRAFZTMHN-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757226 525785750 /nfs/dbraw/zinc/78/57/50/525785750.db2.gz WONMVWRAFZTMHN-UMVBOHGHSA-N 2 2 266.385 2.213 10 0 CEAELP c1c(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[nH+]c2ccccn12 ZINC000051360034 526398296 /nfs/dbraw/zinc/39/82/96/526398296.db2.gz JBEHJBMWNLPINR-LSDHHAIUSA-N 2 2 270.380 2.051 10 0 CEAELP NC(=O)[C@H]([NH3+])CC[NH+](C1CCCCC1)C1CCCCC1 ZINC000062437486 526993460 /nfs/dbraw/zinc/99/34/60/526993460.db2.gz KBIDKPHASCYNPM-OAHLLOKOSA-N 2 2 281.444 2.157 10 0 CEAELP Cc1[nH+]c(Nc2ccccc2)nc(N2CC[C@@H]([NH3+])C2)c1C ZINC000045947868 527005319 /nfs/dbraw/zinc/00/53/19/527005319.db2.gz BMKUEPHDRJLAEK-CYBMUJFWSA-N 2 2 283.379 2.374 10 0 CEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCn1cc[nH+]c1 ZINC000054602834 527145728 /nfs/dbraw/zinc/14/57/28/527145728.db2.gz UXDILKUEGQBUHV-GOOCMWNKSA-N 3 2 262.401 2.008 10 0 CEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCn1cc[nH+]c1 ZINC000054602834 527145734 /nfs/dbraw/zinc/14/57/34/527145734.db2.gz UXDILKUEGQBUHV-GOOCMWNKSA-N 3 2 262.401 2.008 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(F)c(Br)c1 ZINC000052304313 527199165 /nfs/dbraw/zinc/19/91/65/527199165.db2.gz KAOCIGOQESKGAF-UHFFFAOYSA-N 2 2 298.159 2.334 10 0 CEAELP [NH3+]Cc1c2ccccc2oc1CN1CC[NH+](C2CC2)CC1 ZINC000052371347 527243358 /nfs/dbraw/zinc/24/33/58/527243358.db2.gz CBBXENQLQIQVJX-UHFFFAOYSA-N 2 2 285.391 2.172 10 0 CEAELP [NH3+]Cc1cc(N2CCC[C@H]2c2cccnc2)cc[nH+]1 ZINC000061811573 527248660 /nfs/dbraw/zinc/24/86/60/527248660.db2.gz VFUAZACFOBBKBT-HNNXBMFYSA-N 2 2 254.337 2.277 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331591 527879755 /nfs/dbraw/zinc/87/97/55/527879755.db2.gz DEXCLHZOQNNCBL-GTPINHCMSA-N 2 2 274.408 2.418 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000414331591 527879761 /nfs/dbraw/zinc/87/97/61/527879761.db2.gz DEXCLHZOQNNCBL-GTPINHCMSA-N 2 2 274.408 2.418 10 0 CEAELP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)o1 ZINC000399143339 628779585 /nfs/dbraw/zinc/77/95/85/628779585.db2.gz VSZZUWZIPYVQOA-LBPRGKRZSA-N 2 2 266.385 2.004 10 0 CEAELP COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728993 178245570 /nfs/dbraw/zinc/24/55/70/178245570.db2.gz GNUVNPRIRGKHKQ-HUUCEWRRSA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1OC ZINC000082728993 178245572 /nfs/dbraw/zinc/24/55/72/178245572.db2.gz GNUVNPRIRGKHKQ-HUUCEWRRSA-N 2 2 290.407 2.278 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437228 344373954 /nfs/dbraw/zinc/37/39/54/344373954.db2.gz ASEGTQYJXUGLHM-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437228 344373956 /nfs/dbraw/zinc/37/39/56/344373956.db2.gz ASEGTQYJXUGLHM-INIZCTEOSA-N 2 2 262.397 2.114 10 0 CEAELP C[NH2+]CC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584594865 344961221 /nfs/dbraw/zinc/96/12/21/344961221.db2.gz CVUASGOPEMCRMR-DLBZAZTESA-N 2 2 270.376 2.270 10 0 CEAELP CCCn1cc[nH+]c1C[C@H](NN)[C@](C)(CC)[NH+](CC)CC ZINC000097584155 185631123 /nfs/dbraw/zinc/63/11/23/185631123.db2.gz ZUJCCENENNLOCR-HOCLYGCPSA-N 2 2 295.475 2.178 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)C1(C)C ZINC000085397873 179050727 /nfs/dbraw/zinc/05/07/27/179050727.db2.gz WWEGHORDAXBGNS-BFHYXJOUSA-N 2 2 256.434 2.366 10 0 CEAELP CCC[C@@H]1C[N@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085466258 179071867 /nfs/dbraw/zinc/07/18/67/179071867.db2.gz QUZDBJKFNKVZMN-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CCC[C@@H]1C[N@@H+](CCCOC)C2(CCCC2)C[NH2+]1 ZINC000085466258 179071868 /nfs/dbraw/zinc/07/18/68/179071868.db2.gz QUZDBJKFNKVZMN-CQSZACIVSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@]1(C)CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000085496322 179081929 /nfs/dbraw/zinc/08/19/29/179081929.db2.gz JLAYDJMFGTWKJO-OAHLLOKOSA-N 2 2 264.417 2.126 10 0 CEAELP COCCC[N@@H+]1CC(C)(C)[NH2+]CC12CCCCC2 ZINC000085471492 179076634 /nfs/dbraw/zinc/07/66/34/179076634.db2.gz PMRAIQYIDIMETK-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP COCCC[N@H+]1CC(C)(C)[NH2+]CC12CCCCC2 ZINC000085471492 179076637 /nfs/dbraw/zinc/07/66/37/179076637.db2.gz PMRAIQYIDIMETK-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP COCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513392 179086840 /nfs/dbraw/zinc/08/68/40/179086840.db2.gz RHHDFHQLCMCNHR-LSDHHAIUSA-N 2 2 254.418 2.121 10 0 CEAELP COCC[N@H+]1C[C@](C)(C2CC2)[NH2+]C[C@@H]1CC(C)C ZINC000085513392 179086842 /nfs/dbraw/zinc/08/68/42/179086842.db2.gz RHHDFHQLCMCNHR-LSDHHAIUSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085624689 179106927 /nfs/dbraw/zinc/10/69/27/179106927.db2.gz YFOFXWRBNIHCCA-HZSPNIEDSA-N 2 2 254.418 2.121 10 0 CEAELP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1C[C@@H]1CCOC1 ZINC000085624689 179106928 /nfs/dbraw/zinc/10/69/28/179106928.db2.gz YFOFXWRBNIHCCA-HZSPNIEDSA-N 2 2 254.418 2.121 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624311 179107073 /nfs/dbraw/zinc/10/70/73/179107073.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 3 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624311 179107075 /nfs/dbraw/zinc/10/70/75/179107075.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 3 2 278.444 2.290 10 0 CEAELP CCC[C@H]1C[N@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612104 179102538 /nfs/dbraw/zinc/10/25/38/179102538.db2.gz KTDBLWFBDJEGED-ZDUSSCGKSA-N 2 2 263.385 2.054 10 0 CEAELP CCC[C@H]1C[N@@H+](Cc2cccc(OC)n2)CCC[NH2+]1 ZINC000085612104 179102540 /nfs/dbraw/zinc/10/25/40/179102540.db2.gz KTDBLWFBDJEGED-ZDUSSCGKSA-N 2 2 263.385 2.054 10 0 CEAELP C[NH+](C)C[C@H]([NH3+])Cc1ccc(F)c(Br)c1 ZINC000085798097 179173046 /nfs/dbraw/zinc/17/30/46/179173046.db2.gz SBZUTQKVCAYFFA-SECBINFHSA-N 2 2 275.165 2.020 10 0 CEAELP C[NH+](C)c1ccc(N2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086287332 179264189 /nfs/dbraw/zinc/26/41/89/179264189.db2.gz FUOXUINOTIMQEJ-INIZCTEOSA-N 2 2 259.397 2.331 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777913 179330080 /nfs/dbraw/zinc/33/00/80/179330080.db2.gz CZCCDQISYWUZSP-DTWKUNHWSA-N 2 2 259.806 2.356 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cnc(Cl)s1 ZINC000086777913 179330082 /nfs/dbraw/zinc/33/00/82/179330082.db2.gz CZCCDQISYWUZSP-DTWKUNHWSA-N 2 2 259.806 2.356 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817430 179344921 /nfs/dbraw/zinc/34/49/21/179344921.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817430 179344922 /nfs/dbraw/zinc/34/49/22/179344922.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000086842593 179352687 /nfs/dbraw/zinc/35/26/87/179352687.db2.gz BXEKPCMOJHTDKJ-LBPRGKRZSA-N 2 2 253.415 2.497 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000086842593 179352690 /nfs/dbraw/zinc/35/26/90/179352690.db2.gz BXEKPCMOJHTDKJ-LBPRGKRZSA-N 2 2 253.415 2.497 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc(C)n2)CC1 ZINC000086842084 179353111 /nfs/dbraw/zinc/35/31/11/179353111.db2.gz ARXPMLTUMCFYLX-CQSZACIVSA-N 2 2 262.401 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc(C)n2)CC1 ZINC000086842084 179353113 /nfs/dbraw/zinc/35/31/13/179353113.db2.gz ARXPMLTUMCFYLX-CQSZACIVSA-N 2 2 262.401 2.139 10 0 CEAELP Cc1cnc(C[NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000086844436 179354466 /nfs/dbraw/zinc/35/44/66/179354466.db2.gz CCEWWUYOORLCAE-CQSZACIVSA-N 2 2 262.401 2.138 10 0 CEAELP Cc1cnc(C[NH2+][C@@H]2CCC[N@H+](C(C)C)CC2)cn1 ZINC000086844436 179354467 /nfs/dbraw/zinc/35/44/67/179354467.db2.gz CCEWWUYOORLCAE-CQSZACIVSA-N 2 2 262.401 2.138 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1F ZINC000086983558 179373650 /nfs/dbraw/zinc/37/36/50/179373650.db2.gz LGSBYCJLMRXRLQ-YPMHNXCESA-N 2 2 284.400 2.271 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1F ZINC000086983558 179373652 /nfs/dbraw/zinc/37/36/52/179373652.db2.gz LGSBYCJLMRXRLQ-YPMHNXCESA-N 2 2 284.400 2.271 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000086911016 179367363 /nfs/dbraw/zinc/36/73/63/179367363.db2.gz OTRYDMXIKNHDLU-ZNMIVQPWSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+]2CCOC[C@@H]2C)CC1 ZINC000086911016 179367364 /nfs/dbraw/zinc/36/73/64/179367364.db2.gz OTRYDMXIKNHDLU-ZNMIVQPWSA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616600249 348530554 /nfs/dbraw/zinc/53/05/54/348530554.db2.gz GFCOQLBBHSHKFZ-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP CCOC(=O)c1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616600249 348530557 /nfs/dbraw/zinc/53/05/57/348530557.db2.gz GFCOQLBBHSHKFZ-AWEZNQCLSA-N 2 2 290.407 2.392 10 0 CEAELP [NH3+]CC[NH+]1CCC(c2cccc3cccnc32)CC1 ZINC000616620387 348537289 /nfs/dbraw/zinc/53/72/89/348537289.db2.gz YUKXBTCOYLQEOU-UHFFFAOYSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(CCO)c1 ZINC000616680799 348559056 /nfs/dbraw/zinc/55/90/56/348559056.db2.gz PWTVZBWLVMTTQW-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1cccc(CCO)c1 ZINC000616680799 348559057 /nfs/dbraw/zinc/55/90/57/348559057.db2.gz PWTVZBWLVMTTQW-LJQANCHMSA-N 2 2 296.414 2.128 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])(C[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000089615855 179830045 /nfs/dbraw/zinc/83/00/45/179830045.db2.gz IQRSGXALJVATTA-GDBMZVCRSA-N 3 2 267.461 2.168 10 0 CEAELP CCn1c[nH+]cc1[C@@H](C[NH3+])N(C)Cc1cccc(C)c1 ZINC000090174495 179926120 /nfs/dbraw/zinc/92/61/20/179926120.db2.gz SNDSJIQDWINTPN-OAHLLOKOSA-N 2 2 272.396 2.343 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@H]1Cc2ccccc2O1 ZINC000090877416 180051752 /nfs/dbraw/zinc/05/17/52/180051752.db2.gz FBTXXMDIJXLBKC-UONOGXRCSA-N 2 2 271.364 2.167 10 0 CEAELP CC(C)C[N@H+](CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893506 180055181 /nfs/dbraw/zinc/05/51/81/180055181.db2.gz KAIZCEYXWQAEAC-CQSZACIVSA-N 2 2 266.360 2.046 10 0 CEAELP CC(C)C[N@@H+](CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893506 180055184 /nfs/dbraw/zinc/05/51/84/180055184.db2.gz KAIZCEYXWQAEAC-CQSZACIVSA-N 2 2 266.360 2.046 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895629 180056104 /nfs/dbraw/zinc/05/61/04/180056104.db2.gz BZBCWWWEQNPBTN-AWEZNQCLSA-N 2 2 275.327 2.054 10 0 CEAELP CC[N@H+](C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900164 180058606 /nfs/dbraw/zinc/05/86/06/180058606.db2.gz LDBAFBCYPBNNSO-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP CC[N@@H+](C[C@H]1Cc2cc(C)ccc2O1)[C@@H]1CCC[NH2+]C1 ZINC000090900164 180058608 /nfs/dbraw/zinc/05/86/08/180058608.db2.gz LDBAFBCYPBNNSO-HZPDHXFCSA-N 2 2 274.408 2.372 10 0 CEAELP Cc1ccc2c(c1)C[C@H](Cn1cc[nH+]c1C[C@H](C)[NH3+])O2 ZINC000090901595 180059238 /nfs/dbraw/zinc/05/92/38/180059238.db2.gz PIGCAOASTNFGED-GXTWGEPZSA-N 2 2 271.364 2.085 10 0 CEAELP [NH3+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907482 180061886 /nfs/dbraw/zinc/06/18/86/180061886.db2.gz FGHFJJYMLYGNDM-ZNMIVQPWSA-N 2 2 264.344 2.079 10 0 CEAELP [NH3+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(F)c1 ZINC000090907482 180061888 /nfs/dbraw/zinc/06/18/88/180061888.db2.gz FGHFJJYMLYGNDM-ZNMIVQPWSA-N 2 2 264.344 2.079 10 0 CEAELP C[NH2+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907555 180062038 /nfs/dbraw/zinc/06/20/38/180062038.db2.gz NARGXNBRSPSXDS-ZENOOKHLSA-N 2 2 278.371 2.340 10 0 CEAELP C[NH2+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1F ZINC000090907555 180062039 /nfs/dbraw/zinc/06/20/39/180062039.db2.gz NARGXNBRSPSXDS-ZENOOKHLSA-N 2 2 278.371 2.340 10 0 CEAELP COCC1CC[NH+](Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958697 180074673 /nfs/dbraw/zinc/07/46/73/180074673.db2.gz AHPHZMWGJBBPIH-SNVBAGLBSA-N 2 2 269.414 2.021 10 0 CEAELP CC[NH2+]Cc1cn(CCn2cc[nH+]c2)c2ncccc12 ZINC000091020044 180087813 /nfs/dbraw/zinc/08/78/13/180087813.db2.gz JMDQPZVKJRJSED-UHFFFAOYSA-N 2 2 269.352 2.043 10 0 CEAELP CCC1(CC)CC[NH+]([C@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323542 180134772 /nfs/dbraw/zinc/13/47/72/180134772.db2.gz NURCUALSHHOYNO-HNNXBMFYSA-N 2 2 295.471 2.228 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C)c1 ZINC000091322717 180134833 /nfs/dbraw/zinc/13/48/33/180134833.db2.gz BOVMVAYYSHBZLR-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C)c1 ZINC000091322717 180134834 /nfs/dbraw/zinc/13/48/34/180134834.db2.gz BOVMVAYYSHBZLR-MRXNPFEDSA-N 2 2 291.439 2.013 10 0 CEAELP CC[N@H+](Cc1cncn1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091277015 180120166 /nfs/dbraw/zinc/12/01/66/180120166.db2.gz XXDFSCCJEYSFNK-NNQSOWQGSA-N 2 2 274.412 2.323 10 0 CEAELP CC[N@@H+](Cc1cncn1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091277015 180120169 /nfs/dbraw/zinc/12/01/69/180120169.db2.gz XXDFSCCJEYSFNK-NNQSOWQGSA-N 2 2 274.412 2.323 10 0 CEAELP CCN(Cc1c[nH+]cn1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091277015 180120173 /nfs/dbraw/zinc/12/01/73/180120173.db2.gz XXDFSCCJEYSFNK-NNQSOWQGSA-N 2 2 274.412 2.323 10 0 CEAELP CN(c1cccc(F)c1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276493 180120432 /nfs/dbraw/zinc/12/04/32/180120432.db2.gz BHTARUNFRTXHLP-AWEZNQCLSA-N 2 2 274.343 2.493 10 0 CEAELP CC[C@@H]([NH2+]CC[C@@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292341 180123482 /nfs/dbraw/zinc/12/34/82/180123482.db2.gz YHLADYMMMHYWOX-GHMZBOCLSA-N 2 2 271.455 2.279 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1C)[N@H+](C)CC1CC(O)C1 ZINC000091463316 180162634 /nfs/dbraw/zinc/16/26/34/180162634.db2.gz VTOQRJAUUBRGGB-GMGZGELVSA-N 2 2 276.424 2.476 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1C)[N@@H+](C)CC1CC(O)C1 ZINC000091463316 180162635 /nfs/dbraw/zinc/16/26/35/180162635.db2.gz VTOQRJAUUBRGGB-GMGZGELVSA-N 2 2 276.424 2.476 10 0 CEAELP CC[NH+](CC)[C@@](C)(CC)[C@@H](NC)c1c[nH+]ccc1N ZINC000091599379 180202374 /nfs/dbraw/zinc/20/23/74/180202374.db2.gz MPVIFXRUOOVBCO-GJZGRUSLSA-N 2 2 264.417 2.435 10 0 CEAELP C[NH2+][C@H](Cc1ncc(C)c(OC)c1C)C(C)(C)[NH+](C)C ZINC000091528598 180180589 /nfs/dbraw/zinc/18/05/89/180180589.db2.gz PMDFXRVSSZODRW-CQSZACIVSA-N 2 2 279.428 2.178 10 0 CEAELP CC[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)[NH+]1CCCC1 ZINC000091535970 180182504 /nfs/dbraw/zinc/18/25/04/180182504.db2.gz FRTNERSWAVTVDH-CQSZACIVSA-N 2 2 293.459 2.254 10 0 CEAELP CC[NH2+][C@@H](Cc1ncnn1C)C(CC)(CC)[NH+](CC)CC ZINC000091634022 180210231 /nfs/dbraw/zinc/21/02/31/180210231.db2.gz GCDXYQFNFGBOBK-AWEZNQCLSA-N 2 2 295.475 2.236 10 0 CEAELP Nc1cc(C[C@@H](N)C2([NH+]3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641839 180213082 /nfs/dbraw/zinc/21/30/82/180213082.db2.gz XPFVFWJMNSEYIN-OAHLLOKOSA-N 2 2 288.439 2.332 10 0 CEAELP Nc1cc(C[C@@H]([NH3+])C2(N3CCCCC3)CCCC2)cc[nH+]1 ZINC000091641839 180213084 /nfs/dbraw/zinc/21/30/84/180213084.db2.gz XPFVFWJMNSEYIN-OAHLLOKOSA-N 2 2 288.439 2.332 10 0 CEAELP [NH3+][C@H](CCC[C@@H]1CCCO1)C1([NH+]2CCOCC2)CCCC1 ZINC000091643073 180214296 /nfs/dbraw/zinc/21/42/96/180214296.db2.gz YDHBDKUUONRBAU-HZPDHXFCSA-N 2 2 296.455 2.308 10 0 CEAELP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCCC1 ZINC000091647408 180215856 /nfs/dbraw/zinc/21/58/56/180215856.db2.gz KDQLXSHJBZSXKR-CQSZACIVSA-N 3 2 276.428 2.059 10 0 CEAELP C[C@@H]1CCC[C@@](C(=O)c2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650575 180216561 /nfs/dbraw/zinc/21/65/61/180216561.db2.gz XIAMZCLSZUMHKK-IAQYHMDHSA-N 2 2 261.369 2.357 10 0 CEAELP CC[NH2+][C@H](CC[NH+](CC)CC)c1nccn1CC ZINC000091716611 180232848 /nfs/dbraw/zinc/23/28/48/180232848.db2.gz MPTHXJODEHYIHP-CYBMUJFWSA-N 2 2 252.406 2.286 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721237 180237768 /nfs/dbraw/zinc/23/77/68/180237768.db2.gz JNKHDTOIHLRCCJ-BYCMXARLSA-N 2 2 282.334 2.089 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721237 180237769 /nfs/dbraw/zinc/23/77/69/180237769.db2.gz JNKHDTOIHLRCCJ-BYCMXARLSA-N 2 2 282.334 2.089 10 0 CEAELP C[N@@H+]1CCO[C@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723185 180241445 /nfs/dbraw/zinc/24/14/45/180241445.db2.gz UEHMDRYQMMQRDD-ZDUSSCGKSA-N 2 2 289.404 2.272 10 0 CEAELP C[N@H+]1CCO[C@H](c2nc(C[NH3+])c(-c3ccccc3)s2)C1 ZINC000091723185 180241447 /nfs/dbraw/zinc/24/14/47/180241447.db2.gz UEHMDRYQMMQRDD-ZDUSSCGKSA-N 2 2 289.404 2.272 10 0 CEAELP CC(C)C[NH2+]CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003641 180304990 /nfs/dbraw/zinc/30/49/90/180304990.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)C[NH2+]CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003641 180304992 /nfs/dbraw/zinc/30/49/92/180304992.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)C[NH2+]CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003641 180304993 /nfs/dbraw/zinc/30/49/93/180304993.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)C[NH2+]CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003641 180304994 /nfs/dbraw/zinc/30/49/94/180304994.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP COc1ccc(OC)c([C@H](C[NH3+])[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092082630 180319505 /nfs/dbraw/zinc/31/95/05/180319505.db2.gz IMGAPXATNOTWMZ-HUBLWGQQSA-N 2 2 278.396 2.291 10 0 CEAELP C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000130498175 365962207 /nfs/dbraw/zinc/96/22/07/365962207.db2.gz CKZGSJLSPDOCLG-CHWSQXEVSA-N 2 2 259.353 2.198 10 0 CEAELP COc1ccccc1-c1cn2c([nH+]1)[C@@H](C)C[C@@H]([NH3+])C2 ZINC000107827755 186194510 /nfs/dbraw/zinc/19/45/10/186194510.db2.gz YNDDSXBFTFDTIQ-WDEREUQCSA-N 2 2 257.337 2.393 10 0 CEAELP c1ccc(CC[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545967 186261557 /nfs/dbraw/zinc/26/15/57/186261557.db2.gz KNICGWURTWFITR-IAGOWNOFSA-N 2 2 274.408 2.072 10 0 CEAELP c1ccc(CC[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000109545967 186261559 /nfs/dbraw/zinc/26/15/59/186261559.db2.gz KNICGWURTWFITR-IAGOWNOFSA-N 2 2 274.408 2.072 10 0 CEAELP C[NH2+]Cc1nc(C[N@@H+]2CCC[C@@H](C)CC2)cs1 ZINC000110812502 186326409 /nfs/dbraw/zinc/32/64/09/186326409.db2.gz NPYWQHBOZYNZKK-LLVKDONJSA-N 2 2 253.415 2.485 10 0 CEAELP C[NH2+]Cc1nc(C[N@H+]2CCC[C@@H](C)CC2)cs1 ZINC000110812502 186326410 /nfs/dbraw/zinc/32/64/10/186326410.db2.gz NPYWQHBOZYNZKK-LLVKDONJSA-N 2 2 253.415 2.485 10 0 CEAELP CC[N@H+](Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110942703 186334781 /nfs/dbraw/zinc/33/47/81/186334781.db2.gz MJKLKJINGNVEMR-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000110942703 186334782 /nfs/dbraw/zinc/33/47/82/186334782.db2.gz MJKLKJINGNVEMR-CYBMUJFWSA-N 2 2 266.360 2.408 10 0 CEAELP CCCN(CC[NH+](C)C)c1ccc([NH3+])c(OCC)c1 ZINC000111054926 186349325 /nfs/dbraw/zinc/34/93/25/186349325.db2.gz GOWCTDUFCPKCMT-UHFFFAOYSA-N 2 2 265.401 2.446 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000111043648 186347469 /nfs/dbraw/zinc/34/74/69/186347469.db2.gz OIPSACFWTBPDKI-OAHLLOKOSA-N 2 2 255.321 2.203 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111150304 186360474 /nfs/dbraw/zinc/36/04/74/186360474.db2.gz FPGYXGCJWUQMKE-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP CC(C)[NH2+]Cc1coc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111150304 186360476 /nfs/dbraw/zinc/36/04/76/186360476.db2.gz FPGYXGCJWUQMKE-UHFFFAOYSA-N 3 2 267.417 2.161 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111155904 186362290 /nfs/dbraw/zinc/36/22/90/186362290.db2.gz FBWRVMXKDHVSDO-SUMWQHHRSA-N 2 2 292.423 2.442 10 0 CEAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111155904 186362292 /nfs/dbraw/zinc/36/22/92/186362292.db2.gz FBWRVMXKDHVSDO-SUMWQHHRSA-N 2 2 292.423 2.442 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1F ZINC000111159765 186362322 /nfs/dbraw/zinc/36/23/22/186362322.db2.gz DYDSWSAHFXDFTI-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1F ZINC000111159765 186362323 /nfs/dbraw/zinc/36/23/23/186362323.db2.gz DYDSWSAHFXDFTI-MRXNPFEDSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159566 186362581 /nfs/dbraw/zinc/36/25/81/186362581.db2.gz JTRAQTMVPRKEAJ-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(F)ccc1[C@H](C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159566 186362583 /nfs/dbraw/zinc/36/25/83/186362583.db2.gz JTRAQTMVPRKEAJ-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP CCOCC[N@H+](CC)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116822 186355477 /nfs/dbraw/zinc/35/54/77/186355477.db2.gz XEEAXUPOXJJSQF-CZUORRHYSA-N 2 2 280.412 2.442 10 0 CEAELP CCOCC[N@@H+](CC)[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000111116822 186355478 /nfs/dbraw/zinc/35/54/78/186355478.db2.gz XEEAXUPOXJJSQF-CZUORRHYSA-N 2 2 280.412 2.442 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000111148244 186359227 /nfs/dbraw/zinc/35/92/27/186359227.db2.gz BJXRXSSJDYVNLV-HZPDHXFCSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000111148244 186359229 /nfs/dbraw/zinc/35/92/29/186359229.db2.gz BJXRXSSJDYVNLV-HZPDHXFCSA-N 3 2 269.477 2.428 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@H+](C)CCC[NH+](C)C ZINC000111147807 186359538 /nfs/dbraw/zinc/35/95/38/186359538.db2.gz XMJBNGAGVKEFTE-HNNXBMFYSA-N 3 2 257.466 2.286 10 0 CEAELP CCC[NH2+]C[C@](C)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000111147807 186359540 /nfs/dbraw/zinc/35/95/40/186359540.db2.gz XMJBNGAGVKEFTE-HNNXBMFYSA-N 3 2 257.466 2.286 10 0 CEAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)[C@@H]1CCOc2ccccc21 ZINC000111185548 186366283 /nfs/dbraw/zinc/36/62/83/186366283.db2.gz RNLPQYZALFNIJZ-DGCLKSJQSA-N 2 2 257.337 2.107 10 0 CEAELP CC[NH2+]C[C@]1(C[N@H+](C)Cc2ccoc2C)CCCOC1 ZINC000111328352 186399514 /nfs/dbraw/zinc/39/95/14/186399514.db2.gz QZOOOPLDDLRKSQ-INIZCTEOSA-N 2 2 280.412 2.426 10 0 CEAELP CC[NH2+]C[C@]1(C[N@@H+](C)Cc2ccoc2C)CCCOC1 ZINC000111328352 186399515 /nfs/dbraw/zinc/39/95/15/186399515.db2.gz QZOOOPLDDLRKSQ-INIZCTEOSA-N 2 2 280.412 2.426 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](C)C[C@@H]1CCCOC1 ZINC000111239092 186375255 /nfs/dbraw/zinc/37/52/55/186375255.db2.gz XHMDYNZAYXLLEM-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111239092 186375257 /nfs/dbraw/zinc/37/52/57/186375257.db2.gz XHMDYNZAYXLLEM-HOCLYGCPSA-N 2 2 262.397 2.353 10 0 CEAELP CO[C@H]1C[N@H+](CCOc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630359310 351710603 /nfs/dbraw/zinc/71/06/03/351710603.db2.gz FNEKESSXOFEYIZ-HUUCEWRRSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@H]1C[N@@H+](CCOc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630359310 351710606 /nfs/dbraw/zinc/71/06/06/351710606.db2.gz FNEKESSXOFEYIZ-HUUCEWRRSA-N 2 2 298.814 2.157 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000122936728 187061167 /nfs/dbraw/zinc/06/11/67/187061167.db2.gz KLDIVQQIKSTETH-HNNXBMFYSA-N 2 2 275.396 2.429 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000122936728 187061168 /nfs/dbraw/zinc/06/11/68/187061168.db2.gz KLDIVQQIKSTETH-HNNXBMFYSA-N 2 2 275.396 2.429 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233518545 538876692 /nfs/dbraw/zinc/87/66/92/538876692.db2.gz DFFCPJQAXOJMIH-VNQPRFMTSA-N 2 2 266.429 2.289 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)C1 ZINC000233518545 538876694 /nfs/dbraw/zinc/87/66/94/538876694.db2.gz DFFCPJQAXOJMIH-VNQPRFMTSA-N 2 2 266.429 2.289 10 0 CEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310567978 540344489 /nfs/dbraw/zinc/34/44/89/540344489.db2.gz YIGXGRRADSJPPT-UWVGGRQHSA-N 2 2 276.833 2.365 10 0 CEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310567978 540344490 /nfs/dbraw/zinc/34/44/90/540344490.db2.gz YIGXGRRADSJPPT-UWVGGRQHSA-N 2 2 276.833 2.365 10 0 CEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccs1 ZINC000151266970 366635332 /nfs/dbraw/zinc/63/53/32/366635332.db2.gz KZXGHKSFYOFGKD-OLZOCXBDSA-N 2 2 268.426 2.246 10 0 CEAELP c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177266683 189040463 /nfs/dbraw/zinc/04/04/63/189040463.db2.gz FMRQDHRNSVXFIW-JKSUJKDBSA-N 2 2 298.390 2.411 10 0 CEAELP c1cn(-c2ccc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)cn2)c[nH+]1 ZINC000177266683 189040464 /nfs/dbraw/zinc/04/04/64/189040464.db2.gz FMRQDHRNSVXFIW-JKSUJKDBSA-N 2 2 298.390 2.411 10 0 CEAELP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178324341 189107373 /nfs/dbraw/zinc/10/73/73/189107373.db2.gz AKIKYKJXJKIEPQ-HNNXBMFYSA-N 2 2 287.411 2.206 10 0 CEAELP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178324341 189107374 /nfs/dbraw/zinc/10/73/74/189107374.db2.gz AKIKYKJXJKIEPQ-HNNXBMFYSA-N 2 2 287.411 2.206 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(C)C)nc[nH+]1 ZINC000180576284 189262906 /nfs/dbraw/zinc/26/29/06/189262906.db2.gz SONALZIQSLZSKL-CHWSQXEVSA-N 2 2 277.416 2.121 10 0 CEAELP Cc1csc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000581619078 366802761 /nfs/dbraw/zinc/80/27/61/366802761.db2.gz XTVMYGNWHXMAHM-GRYCIOLGSA-N 2 2 253.415 2.490 10 0 CEAELP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812956 364110622 /nfs/dbraw/zinc/11/06/22/364110622.db2.gz RJSWRPPAFSFNPF-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1n[nH]cc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812956 364110623 /nfs/dbraw/zinc/11/06/23/364110623.db2.gz RJSWRPPAFSFNPF-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000095072560 364332433 /nfs/dbraw/zinc/33/24/33/364332433.db2.gz RCZTWVCNJKWONX-NSHDSACASA-N 2 2 284.201 2.015 10 0 CEAELP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000095072560 364332436 /nfs/dbraw/zinc/33/24/36/364332436.db2.gz RCZTWVCNJKWONX-NSHDSACASA-N 2 2 284.201 2.015 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245733559 370867091 /nfs/dbraw/zinc/86/70/91/370867091.db2.gz WIHSPOVZECBNOT-TZMCWYRMSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245733559 370867092 /nfs/dbraw/zinc/86/70/92/370867092.db2.gz WIHSPOVZECBNOT-TZMCWYRMSA-N 2 2 276.384 2.240 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175045545 368092878 /nfs/dbraw/zinc/09/28/78/368092878.db2.gz HFUDOWSZBQZRTG-HUUCEWRRSA-N 2 2 298.390 2.033 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000175045545 368092884 /nfs/dbraw/zinc/09/28/84/368092884.db2.gz HFUDOWSZBQZRTG-HUUCEWRRSA-N 2 2 298.390 2.033 10 0 CEAELP Cc1cccc(CCC[N@@H+]2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181102092 368421467 /nfs/dbraw/zinc/42/14/67/368421467.db2.gz PHZGBQKNSSDNLM-KRWDZBQOSA-N 2 2 276.424 2.190 10 0 CEAELP Cc1cccc(CCC[N@H+]2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000181102092 368421469 /nfs/dbraw/zinc/42/14/69/368421469.db2.gz PHZGBQKNSSDNLM-KRWDZBQOSA-N 2 2 276.424 2.190 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](C)COC)C1 ZINC000187238810 369127237 /nfs/dbraw/zinc/12/72/37/369127237.db2.gz DQLDDAHMVPQZLN-ZIAGYGMSSA-N 2 2 265.401 2.365 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000187238810 369127240 /nfs/dbraw/zinc/12/72/40/369127240.db2.gz DQLDDAHMVPQZLN-ZIAGYGMSSA-N 2 2 265.401 2.365 10 0 CEAELP O[C@H](C[NH2+]Cc1sccc1Cl)C[NH+]1CCCCC1 ZINC000193036931 369885160 /nfs/dbraw/zinc/88/51/60/369885160.db2.gz RLOXTZJOTBYTDD-LLVKDONJSA-N 2 2 288.844 2.338 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000220777807 370233343 /nfs/dbraw/zinc/23/33/43/370233343.db2.gz FEMKJHFLAAWXOW-CABZTGNLSA-N 2 2 274.286 2.364 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000220777807 370233348 /nfs/dbraw/zinc/23/33/48/370233348.db2.gz FEMKJHFLAAWXOW-CABZTGNLSA-N 2 2 274.286 2.364 10 0 CEAELP CCc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231454456 370479176 /nfs/dbraw/zinc/47/91/76/370479176.db2.gz ALYYWBAREMOUGT-LBPRGKRZSA-N 2 2 253.415 2.279 10 0 CEAELP CCc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cs1 ZINC000231454456 370479183 /nfs/dbraw/zinc/47/91/83/370479183.db2.gz ALYYWBAREMOUGT-LBPRGKRZSA-N 2 2 253.415 2.279 10 0 CEAELP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388859 371513082 /nfs/dbraw/zinc/51/30/82/371513082.db2.gz GKAZWMNTJLDKBU-IRXDYDNUSA-N 2 2 289.423 2.065 10 0 CEAELP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388859 371513083 /nfs/dbraw/zinc/51/30/83/371513083.db2.gz GKAZWMNTJLDKBU-IRXDYDNUSA-N 2 2 289.423 2.065 10 0 CEAELP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388859 371513087 /nfs/dbraw/zinc/51/30/87/371513087.db2.gz GKAZWMNTJLDKBU-IRXDYDNUSA-N 2 2 289.423 2.065 10 0 CEAELP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCC[C@H]2c2ccncc2)C1 ZINC000253388859 371513089 /nfs/dbraw/zinc/51/30/89/371513089.db2.gz GKAZWMNTJLDKBU-IRXDYDNUSA-N 2 2 289.423 2.065 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Br)cn3)C[C@@H]12 ZINC000261548588 371641431 /nfs/dbraw/zinc/64/14/31/371641431.db2.gz JSBHULNAQQSQFR-OASPWFOLSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Br)cn3)C[C@@H]12 ZINC000261548588 371641435 /nfs/dbraw/zinc/64/14/35/371641435.db2.gz JSBHULNAQQSQFR-OASPWFOLSA-N 2 2 296.212 2.013 10 0 CEAELP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261743688 371718262 /nfs/dbraw/zinc/71/82/62/371718262.db2.gz MVLDCBSHAYLNMD-ZYHUDNBSSA-N 2 2 290.342 2.045 10 0 CEAELP Fc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262013122 371799800 /nfs/dbraw/zinc/79/98/00/371799800.db2.gz VRPRWMIGNGJUGR-FVQBIDKESA-N 2 2 296.361 2.212 10 0 CEAELP C[C@H]1C[N@H+](CCSCc2ccccc2)C[C@H]1[NH3+] ZINC000262048322 371810989 /nfs/dbraw/zinc/81/09/89/371810989.db2.gz PYIHBLSMVZNJDS-GXTWGEPZSA-N 2 2 250.411 2.199 10 0 CEAELP C[C@H]1C[N@@H+](CCSCc2ccccc2)C[C@H]1[NH3+] ZINC000262048322 371810992 /nfs/dbraw/zinc/81/09/92/371810992.db2.gz PYIHBLSMVZNJDS-GXTWGEPZSA-N 2 2 250.411 2.199 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)nc(C)[nH+]1 ZINC000272865732 373686790 /nfs/dbraw/zinc/68/67/90/373686790.db2.gz MVZQISBTRGBRKS-CABCVRRESA-N 2 2 274.412 2.410 10 0 CEAELP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)nc(C)[nH+]1 ZINC000272865732 373686797 /nfs/dbraw/zinc/68/67/97/373686797.db2.gz MVZQISBTRGBRKS-CABCVRRESA-N 2 2 274.412 2.410 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448727 376850589 /nfs/dbraw/zinc/85/05/89/376850589.db2.gz COVSKAMFCOESCS-STQMWFEESA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)C1 ZINC000328448727 376850595 /nfs/dbraw/zinc/85/05/95/376850595.db2.gz COVSKAMFCOESCS-STQMWFEESA-N 2 2 278.396 2.449 10 0 CEAELP CC(C)CC[C@@](C)(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000042488780 184554457 /nfs/dbraw/zinc/55/44/57/184554457.db2.gz MKHWLQPHFXFNOE-AWEZNQCLSA-N 2 2 252.406 2.006 10 0 CEAELP CC(C)CC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000042488780 184554458 /nfs/dbraw/zinc/55/44/58/184554458.db2.gz MKHWLQPHFXFNOE-AWEZNQCLSA-N 2 2 252.406 2.006 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093205251 184655135 /nfs/dbraw/zinc/65/51/35/184655135.db2.gz CNSNYEZNGKVHQL-ZIAGYGMSSA-N 2 2 299.459 2.364 10 0 CEAELP CCn1c(C)cc(C[NH2+]CCc2[nH+]ccn2C)c1C ZINC000093695263 184707447 /nfs/dbraw/zinc/70/74/47/184707447.db2.gz HEVOQLKNXFFHMD-UHFFFAOYSA-N 2 2 260.385 2.191 10 0 CEAELP CCN(CC1CC[NH2+]CC1)c1[nH+]c2ccccc2n1C ZINC000094043576 184751788 /nfs/dbraw/zinc/75/17/88/184751788.db2.gz HXUBKWVHRRCRRF-UHFFFAOYSA-N 2 2 272.396 2.399 10 0 CEAELP CC[NH2+][C@H](Cc1[nH+]ccn1CC)Cc1ccncc1 ZINC000094159357 184757014 /nfs/dbraw/zinc/75/70/14/184757014.db2.gz IPKGNXMWAIXPMN-AWEZNQCLSA-N 2 2 258.369 2.061 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH+]ccn1C)[C@@H]1Cc2ccccc21 ZINC000094160793 184757832 /nfs/dbraw/zinc/75/78/32/184757832.db2.gz BWWLAQPLDNCSBI-CABCVRRESA-N 2 2 255.365 2.281 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H]([NH2+]C)C1(N(C)C)CCCC1 ZINC000094163517 184758611 /nfs/dbraw/zinc/75/86/11/184758611.db2.gz BBPQTIXDOAOEBU-CQSZACIVSA-N 2 2 278.444 2.298 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371257 184790048 /nfs/dbraw/zinc/79/00/48/184790048.db2.gz GWXFVUOMGXBKEA-ZDUSSCGKSA-N 2 2 263.385 2.044 10 0 CEAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cnc(Cl)nc1Cl ZINC000095072291 184933825 /nfs/dbraw/zinc/93/38/25/184933825.db2.gz MAIYHRUBZZNRPA-DTWKUNHWSA-N 2 2 275.183 2.143 10 0 CEAELP [NH3+][C@@H]1CCC[C@H]([NH2+]c2ccc(N3CCOCC3)cc2)C1 ZINC000093210410 135079806 /nfs/dbraw/zinc/07/98/06/135079806.db2.gz XKZSHOPMMDWLLH-HIFRSBDPSA-N 2 2 275.396 2.205 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@H]12 ZINC000261653697 394604840 /nfs/dbraw/zinc/60/48/40/394604840.db2.gz YLRTYUHHNSDXID-DVVUODLYSA-N 2 2 271.286 2.274 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000131737502 394918302 /nfs/dbraw/zinc/91/83/02/394918302.db2.gz HRKXYONTXIGYJN-IYXRBSQSSA-N 2 2 297.443 2.116 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000131737502 394918306 /nfs/dbraw/zinc/91/83/06/394918306.db2.gz HRKXYONTXIGYJN-IYXRBSQSSA-N 2 2 297.443 2.116 10 0 CEAELP CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261185 395462809 /nfs/dbraw/zinc/46/28/09/395462809.db2.gz IWNBULXPQGVTQM-LBPRGKRZSA-N 2 2 253.415 2.225 10 0 CEAELP CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261185 395462811 /nfs/dbraw/zinc/46/28/11/395462811.db2.gz IWNBULXPQGVTQM-LBPRGKRZSA-N 2 2 253.415 2.225 10 0 CEAELP CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195261185 395462812 /nfs/dbraw/zinc/46/28/12/395462812.db2.gz IWNBULXPQGVTQM-LBPRGKRZSA-N 2 2 253.415 2.225 10 0 CEAELP CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195261185 395462814 /nfs/dbraw/zinc/46/28/14/395462814.db2.gz IWNBULXPQGVTQM-LBPRGKRZSA-N 2 2 253.415 2.225 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1O ZINC000188409320 153055458 /nfs/dbraw/zinc/05/54/58/153055458.db2.gz HQFWJAZQBSMOKL-CQSZACIVSA-N 2 2 287.363 2.262 10 0 CEAELP COc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1O ZINC000188409320 153055461 /nfs/dbraw/zinc/05/54/61/153055461.db2.gz HQFWJAZQBSMOKL-CQSZACIVSA-N 2 2 287.363 2.262 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178980994 165268292 /nfs/dbraw/zinc/26/82/92/165268292.db2.gz HLDSGQRSRUBJKL-OAHLLOKOSA-N 3 2 276.428 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178980994 165268297 /nfs/dbraw/zinc/26/82/97/165268297.db2.gz HLDSGQRSRUBJKL-OAHLLOKOSA-N 3 2 276.428 2.082 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210239 173033001 /nfs/dbraw/zinc/03/30/01/173033001.db2.gz IHWIKYSMECVTHS-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210239 173033003 /nfs/dbraw/zinc/03/30/03/173033003.db2.gz IHWIKYSMECVTHS-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP COc1ccccc1[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC000040638674 174362877 /nfs/dbraw/zinc/36/28/77/174362877.db2.gz LIFWYIMXKFCRDD-GFCCVEGCSA-N 2 2 259.353 2.322 10 0 CEAELP CC[N@H+](Cc1occc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748343 174393136 /nfs/dbraw/zinc/39/31/36/174393136.db2.gz RVLVWROHZMIFLU-FUNVUKJBSA-N 2 2 292.379 2.171 10 0 CEAELP CC[N@@H+](Cc1occc1C(=O)OC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748343 174393138 /nfs/dbraw/zinc/39/31/38/174393138.db2.gz RVLVWROHZMIFLU-FUNVUKJBSA-N 2 2 292.379 2.171 10 0 CEAELP Cc1c[nH]c(CN[C@H](C[NH+](C)C)c2ccccc2)[nH+]1 ZINC000657298022 414843256 /nfs/dbraw/zinc/84/32/56/414843256.db2.gz SEIBZRSDVLDRRO-CQSZACIVSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1nc([C@@H](C)[NH2+]Cc2c[nH+]c(C)n2C)cs1 ZINC000657354724 414879506 /nfs/dbraw/zinc/87/95/06/414879506.db2.gz YILOLRWKLRBEMH-MRVPVSSYSA-N 2 2 250.371 2.344 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@H+](C)C[C@@H]2CCCO2)c1C ZINC000043314843 175004790 /nfs/dbraw/zinc/00/47/90/175004790.db2.gz PELWDQNMOPPJGJ-GOEBONIOSA-N 2 2 262.397 2.414 10 0 CEAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCO2)c1C ZINC000043314843 175004792 /nfs/dbraw/zinc/00/47/92/175004792.db2.gz PELWDQNMOPPJGJ-GOEBONIOSA-N 2 2 262.397 2.414 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CC)[C@@H](C)COC ZINC000043341144 175015481 /nfs/dbraw/zinc/01/54/81/175015481.db2.gz YXAZSPDZPKHQRA-YDHLFZDLSA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CC)[C@@H](C)COC ZINC000043341144 175015485 /nfs/dbraw/zinc/01/54/85/175015485.db2.gz YXAZSPDZPKHQRA-YDHLFZDLSA-N 2 2 265.401 2.217 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](CCO)C1CCCCC1 ZINC000043348310 175018655 /nfs/dbraw/zinc/01/86/55/175018655.db2.gz MCRYEQSIWNHFHP-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](CCO)C1CCCCC1 ZINC000043348310 175018656 /nfs/dbraw/zinc/01/86/56/175018656.db2.gz MCRYEQSIWNHFHP-BBRMVZONSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@H+](CCO)C1CCCCC1 ZINC000043354615 175022319 /nfs/dbraw/zinc/02/23/19/175022319.db2.gz PAROMTZHMJTHDS-DLBZAZTESA-N 2 2 291.439 2.487 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccncc1)[N@@H+](CCO)C1CCCCC1 ZINC000043354615 175022320 /nfs/dbraw/zinc/02/23/20/175022320.db2.gz PAROMTZHMJTHDS-DLBZAZTESA-N 2 2 291.439 2.487 10 0 CEAELP CCO[C@@H]1CCC[N@@H+]([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])C1 ZINC000043365060 175026610 /nfs/dbraw/zinc/02/66/10/175026610.db2.gz YWVLRFZLNSSRBU-UMVBOHGHSA-N 2 2 266.385 2.477 10 0 CEAELP CCO[C@@H]1CCC[N@H+]([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])C1 ZINC000043365060 175026611 /nfs/dbraw/zinc/02/66/11/175026611.db2.gz YWVLRFZLNSSRBU-UMVBOHGHSA-N 2 2 266.385 2.477 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](C)Cc1ccccc1)OCCO2 ZINC000043816422 175112220 /nfs/dbraw/zinc/11/22/20/175112220.db2.gz WKRXURFZOBKRRX-CVEARBPZSA-N 2 2 290.407 2.002 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](C)Cc1ccccc1)OCCO2 ZINC000043816422 175112222 /nfs/dbraw/zinc/11/22/22/175112222.db2.gz WKRXURFZOBKRRX-CVEARBPZSA-N 2 2 290.407 2.002 10 0 CEAELP CCC[N@H+](C(C)C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885168 175116960 /nfs/dbraw/zinc/11/69/60/175116960.db2.gz BSOAYCIWXKCNGE-GJZGRUSLSA-N 2 2 284.444 2.381 10 0 CEAELP CCC[N@@H+](C(C)C)[C@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885168 175116962 /nfs/dbraw/zinc/11/69/62/175116962.db2.gz BSOAYCIWXKCNGE-GJZGRUSLSA-N 2 2 284.444 2.381 10 0 CEAELP CCC[N@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885166 175117225 /nfs/dbraw/zinc/11/72/25/175117225.db2.gz BSOAYCIWXKCNGE-LSDHHAIUSA-N 2 2 284.444 2.381 10 0 CEAELP CCC[N@@H+](C(C)C)[C@@H]1CC2(CC[C@@H]1[NH2+]CC)OCCO2 ZINC000043885166 175117226 /nfs/dbraw/zinc/11/72/26/175117226.db2.gz BSOAYCIWXKCNGE-LSDHHAIUSA-N 2 2 284.444 2.381 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@H+](C)[C@@H](C)COC ZINC000043969099 175130328 /nfs/dbraw/zinc/13/03/28/175130328.db2.gz YIGYHVHMCITLSL-XEZPLFJOSA-N 2 2 280.412 2.311 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)[N@@H+](C)[C@@H](C)COC ZINC000043969099 175130330 /nfs/dbraw/zinc/13/03/30/175130330.db2.gz YIGYHVHMCITLSL-XEZPLFJOSA-N 2 2 280.412 2.311 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970166 175131108 /nfs/dbraw/zinc/13/11/08/175131108.db2.gz LUIOIRRKZJNHKE-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@H]1CCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970166 175131110 /nfs/dbraw/zinc/13/11/10/175131110.db2.gz LUIOIRRKZJNHKE-LSDHHAIUSA-N 2 2 254.418 2.408 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+](C)Cc1cccc(F)c1 ZINC000045043142 175294923 /nfs/dbraw/zinc/29/49/23/175294923.db2.gz HDVVVBSBDAVKRT-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+](C)Cc1cccc(F)c1 ZINC000045043142 175294925 /nfs/dbraw/zinc/29/49/25/175294925.db2.gz HDVVVBSBDAVKRT-AWEZNQCLSA-N 2 2 254.349 2.011 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)C ZINC000045065394 175299574 /nfs/dbraw/zinc/29/95/74/175299574.db2.gz OJLAPABBRLVHKT-OLZOCXBDSA-N 2 2 252.406 2.176 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)C ZINC000045065394 175299575 /nfs/dbraw/zinc/29/95/75/175299575.db2.gz OJLAPABBRLVHKT-OLZOCXBDSA-N 2 2 252.406 2.176 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CCC[C@@H]2C2CCCC2)CCSC1 ZINC000045071438 175301468 /nfs/dbraw/zinc/30/14/68/175301468.db2.gz VPLXKKNCMGPXJQ-KGLIPLIRSA-N 2 2 254.443 2.475 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CCC[C@@H]2C2CCCC2)CCSC1 ZINC000045071438 175301470 /nfs/dbraw/zinc/30/14/70/175301470.db2.gz VPLXKKNCMGPXJQ-KGLIPLIRSA-N 2 2 254.443 2.475 10 0 CEAELP CCC[NH2+]C1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135354 175313143 /nfs/dbraw/zinc/31/31/43/175313143.db2.gz GJZOWKULQFVJAW-HNNXBMFYSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH2+]C1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000045135354 175313144 /nfs/dbraw/zinc/31/31/44/175313144.db2.gz GJZOWKULQFVJAW-HNNXBMFYSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172053 175321582 /nfs/dbraw/zinc/32/15/82/175321582.db2.gz XMWVVGSAKDAGKX-NSHDSACASA-N 2 2 264.417 2.172 10 0 CEAELP C[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(=O)OC ZINC000045371560 175364020 /nfs/dbraw/zinc/36/40/20/175364020.db2.gz HCHFJCLBPWSFJM-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP COC(=O)[C@@](C)(CCC[NH+]1CCC(C)CC1)[NH2+]C1CC1 ZINC000045375032 175365335 /nfs/dbraw/zinc/36/53/35/175365335.db2.gz WYUWCTQOMMYUFD-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@@H+]1CCC[C@@H](CC)C1)[NH2+]C ZINC000045393490 175376164 /nfs/dbraw/zinc/37/61/64/175376164.db2.gz CGAWOXPNFISUHG-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@](C)(CCC[N@H+]1CCC[C@@H](CC)C1)[NH2+]C ZINC000045393490 175376165 /nfs/dbraw/zinc/37/61/65/175376165.db2.gz CGAWOXPNFISUHG-ZBFHGGJFSA-N 2 2 284.444 2.430 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419981 175378228 /nfs/dbraw/zinc/37/82/28/175378228.db2.gz YDZFXMGQSCAHJJ-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)CC1CC1)[NH2+]C1CC1 ZINC000045419981 175378229 /nfs/dbraw/zinc/37/82/29/175378229.db2.gz YDZFXMGQSCAHJJ-MRXNPFEDSA-N 2 2 282.428 2.182 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC000045420277 175378832 /nfs/dbraw/zinc/37/88/32/175378832.db2.gz IQXWKPCUDVSRAV-ZBFHGGJFSA-N 2 2 284.444 2.428 10 0 CEAELP COC(=O)[C@](C)(CCCC[N@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC000045420277 175378834 /nfs/dbraw/zinc/37/88/34/175378834.db2.gz IQXWKPCUDVSRAV-ZBFHGGJFSA-N 2 2 284.444 2.428 10 0 CEAELP NC(=[NH2+])CC[N@H+](C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071091460 176032008 /nfs/dbraw/zinc/03/20/08/176032008.db2.gz HAXHALXMUFTFIO-HNNXBMFYSA-N 2 2 273.380 2.091 10 0 CEAELP NC(=[NH2+])CC[N@@H+](C[C@@H]1OCCc2ccccc21)C1CC1 ZINC000071091460 176032009 /nfs/dbraw/zinc/03/20/09/176032009.db2.gz HAXHALXMUFTFIO-HNNXBMFYSA-N 2 2 273.380 2.091 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCOCC2)C1 ZINC000071123458 176035253 /nfs/dbraw/zinc/03/52/53/176035253.db2.gz KQESDUJWPBDAPT-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCOCC2)C1 ZINC000071123458 176035255 /nfs/dbraw/zinc/03/52/55/176035255.db2.gz KQESDUJWPBDAPT-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)C1 ZINC000071123450 176035376 /nfs/dbraw/zinc/03/53/76/176035376.db2.gz KMTLUNOVMSXAMQ-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC(C)(C)C2)C1 ZINC000071123450 176035378 /nfs/dbraw/zinc/03/53/78/176035378.db2.gz KMTLUNOVMSXAMQ-DZGCQCFKSA-N 2 2 254.418 2.395 10 0 CEAELP C[N@H+](CCC(=O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000071191218 176070420 /nfs/dbraw/zinc/07/04/20/176070420.db2.gz DIRFKZRZBOAWNG-AWEZNQCLSA-N 2 2 260.381 2.143 10 0 CEAELP C[N@@H+](CCC(=O)c1ccccc1)C[C@H]1CC[NH+](C)C1 ZINC000071191218 176070421 /nfs/dbraw/zinc/07/04/21/176070421.db2.gz DIRFKZRZBOAWNG-AWEZNQCLSA-N 2 2 260.381 2.143 10 0 CEAELP C[NH+](CCC(=O)c1ccccc1)C[C@H]1CC[N@H+](C)C1 ZINC000071191218 176070422 /nfs/dbraw/zinc/07/04/22/176070422.db2.gz DIRFKZRZBOAWNG-AWEZNQCLSA-N 2 2 260.381 2.143 10 0 CEAELP C[NH+](CCC(=O)c1ccccc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071191218 176070424 /nfs/dbraw/zinc/07/04/24/176070424.db2.gz DIRFKZRZBOAWNG-AWEZNQCLSA-N 2 2 260.381 2.143 10 0 CEAELP Cc1ncsc1C[NH2+]C[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071213757 176085448 /nfs/dbraw/zinc/08/54/48/176085448.db2.gz BBBWZHDYTRNZHS-UPJWGTAASA-N 2 2 265.426 2.462 10 0 CEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1ccccc1Cl ZINC000071229155 176091392 /nfs/dbraw/zinc/09/13/92/176091392.db2.gz OUPVALJDTXVQJI-UHFFFAOYSA-N 2 2 269.776 2.114 10 0 CEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccccc1Cl ZINC000071229155 176091394 /nfs/dbraw/zinc/09/13/94/176091394.db2.gz OUPVALJDTXVQJI-UHFFFAOYSA-N 2 2 269.776 2.114 10 0 CEAELP CC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)C(C)(C)C[NH2+]1 ZINC000071344806 176131509 /nfs/dbraw/zinc/13/15/09/176131509.db2.gz HNESXVAAFOFQQJ-CYBMUJFWSA-N 2 2 272.396 2.297 10 0 CEAELP Cc1[nH+]ccn1CCN1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C1CC1 ZINC000071347904 176132510 /nfs/dbraw/zinc/13/25/10/176132510.db2.gz QUBKVHSDLGBVQL-HZPDHXFCSA-N 2 2 290.455 2.290 10 0 CEAELP CC(C)(C)[C@H]1CN(CCCn2cc[nH+]c2)C(C)(C)C[NH2+]1 ZINC000071348294 176132861 /nfs/dbraw/zinc/13/28/61/176132861.db2.gz CMRRIGXHUNSIGL-CQSZACIVSA-N 2 2 278.444 2.372 10 0 CEAELP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396531979 270349286 /nfs/dbraw/zinc/34/92/86/270349286.db2.gz HPRNFAXJTPWZOM-HWWQOWPSSA-N 2 2 275.396 2.436 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+](CC)CC ZINC000054626729 519911216 /nfs/dbraw/zinc/91/12/16/519911216.db2.gz VJDDFFACSBLILH-MQVJKMGUSA-N 3 2 267.461 2.323 10 0 CEAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+](CC)CC ZINC000054626729 519911220 /nfs/dbraw/zinc/91/12/20/519911220.db2.gz VJDDFFACSBLILH-MQVJKMGUSA-N 3 2 267.461 2.323 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@H](C)COC)cs1 ZINC000052511219 519964636 /nfs/dbraw/zinc/96/46/36/519964636.db2.gz WLPYFTSGTUXEAP-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CCCNc1snnc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000050815613 520202866 /nfs/dbraw/zinc/20/28/66/520202866.db2.gz REWOAIAERUAVHW-UHFFFAOYSA-N 2 2 297.472 2.134 10 0 CEAELP CC(C)[NH2+]Cc1occc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380447 519730284 /nfs/dbraw/zinc/73/02/84/519730284.db2.gz ZMIYKQJRECNBCZ-STQMWFEESA-N 2 2 266.385 2.387 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)CN(C)Cc1[nH+]ccn1C ZINC000062323006 519742977 /nfs/dbraw/zinc/74/29/77/519742977.db2.gz NQZLJOHLUPFXFN-UHFFFAOYSA-N 2 2 266.433 2.124 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010821 519744777 /nfs/dbraw/zinc/74/47/77/519744777.db2.gz CEAYRRMLOQHCAT-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010821 519744779 /nfs/dbraw/zinc/74/47/79/519744779.db2.gz CEAYRRMLOQHCAT-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422937 519928649 /nfs/dbraw/zinc/92/86/49/519928649.db2.gz OCQPQQDYHGYSFR-HNNXBMFYSA-N 2 2 291.439 2.205 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@H+](C)[C@H](C)COC)cs1 ZINC000052511219 519964625 /nfs/dbraw/zinc/96/46/25/519964625.db2.gz WLPYFTSGTUXEAP-LLVKDONJSA-N 2 2 271.430 2.109 10 0 CEAELP CCC[NH2+][C@@H](CCn1c(C)[nH+]c2ccccc21)C(=O)OC ZINC000062534686 520006047 /nfs/dbraw/zinc/00/60/47/520006047.db2.gz QJOCRRGAWHDNQT-AWEZNQCLSA-N 2 2 289.379 2.276 10 0 CEAELP CC[NH2+]Cc1oc(C[N@@H+]2CCOC[C@H]2CC)cc1C ZINC000052481687 520027747 /nfs/dbraw/zinc/02/77/47/520027747.db2.gz BDOLJOLFIFDJIC-CYBMUJFWSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1oc(C[N@H+]2CCOC[C@H]2CC)cc1C ZINC000052481687 520027754 /nfs/dbraw/zinc/02/77/54/520027754.db2.gz BDOLJOLFIFDJIC-CYBMUJFWSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@H+](C)CCOC ZINC000054555353 520122523 /nfs/dbraw/zinc/12/25/23/520122523.db2.gz WIODYYJSBSQOGI-ZNMIVQPWSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1[N@@H+](C)CCOC ZINC000054555353 520122531 /nfs/dbraw/zinc/12/25/31/520122531.db2.gz WIODYYJSBSQOGI-ZNMIVQPWSA-N 2 2 256.434 2.367 10 0 CEAELP CCCNc1cc(C(C)(C)C)[nH+]c(N2CC[NH+](C)CC2)n1 ZINC000050850775 520134426 /nfs/dbraw/zinc/13/44/26/520134426.db2.gz FARRYQOORXCTSI-UHFFFAOYSA-N 2 2 291.443 2.348 10 0 CEAELP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1c[nH+]c(C)[nH]1 ZINC000054797981 520631983 /nfs/dbraw/zinc/63/19/83/520631983.db2.gz KBIPDOSRFDGZSA-GFCCVEGCSA-N 3 2 252.406 2.318 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811577 521137535 /nfs/dbraw/zinc/13/75/35/521137535.db2.gz MVTJLCVDRAMRTG-CYBMUJFWSA-N 2 2 262.353 2.401 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811577 521137542 /nfs/dbraw/zinc/13/75/42/521137542.db2.gz MVTJLCVDRAMRTG-CYBMUJFWSA-N 2 2 262.353 2.401 10 0 CEAELP CCC(CC)[C@@H](CNCc1c[nH+]c(C)[nH]1)[NH+](C)C ZINC000054821549 521605196 /nfs/dbraw/zinc/60/51/96/521605196.db2.gz IMUYMCGGWBYECJ-CQSZACIVSA-N 2 2 252.406 2.174 10 0 CEAELP CCC(CC)[C@@H](CNCc1c[nH]c(C)[nH+]1)[NH+](C)C ZINC000054821549 521605204 /nfs/dbraw/zinc/60/52/04/521605204.db2.gz IMUYMCGGWBYECJ-CQSZACIVSA-N 2 2 252.406 2.174 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624770 521656758 /nfs/dbraw/zinc/65/67/58/521656758.db2.gz XHCSIEDBAGRGAA-INIZCTEOSA-N 2 2 276.424 2.447 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCOC)C1CC1 ZINC000052203774 521953778 /nfs/dbraw/zinc/95/37/78/521953778.db2.gz NWBZCDIEOHZWBV-INIZCTEOSA-N 2 2 262.397 2.360 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCOC)C1CC1 ZINC000052203774 521953783 /nfs/dbraw/zinc/95/37/83/521953783.db2.gz NWBZCDIEOHZWBV-INIZCTEOSA-N 2 2 262.397 2.360 10 0 CEAELP C[NH2+]C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1 ZINC000052545088 522031617 /nfs/dbraw/zinc/03/16/17/522031617.db2.gz KBSQZKCXTWFGGS-SNVBAGLBSA-N 2 2 271.202 2.489 10 0 CEAELP C[NH2+]C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1 ZINC000052545088 522031612 /nfs/dbraw/zinc/03/16/12/522031612.db2.gz KBSQZKCXTWFGGS-SNVBAGLBSA-N 2 2 271.202 2.489 10 0 CEAELP CC[C@H](C[NH2+]C(C)(C)C)[N@H+](CCCOC)CCOC ZINC000052543208 522188224 /nfs/dbraw/zinc/18/82/24/522188224.db2.gz PGUGVAMBMPXJRI-CQSZACIVSA-N 2 2 274.449 2.138 10 0 CEAELP CC[C@H](C[NH2+]C(C)(C)C)[N@@H+](CCCOC)CCOC ZINC000052543208 522188235 /nfs/dbraw/zinc/18/82/35/522188235.db2.gz PGUGVAMBMPXJRI-CQSZACIVSA-N 2 2 274.449 2.138 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@@H](C)C[NH2+]CCOC ZINC000062808185 522503926 /nfs/dbraw/zinc/50/39/26/522503926.db2.gz RHDXDPPZAOBOQK-LBPRGKRZSA-N 2 2 261.369 2.396 10 0 CEAELP CCc1[nH+]c2ccccc2n1[C@H](C)C[C@](C)([NH3+])C(=O)OC ZINC000068650182 522507681 /nfs/dbraw/zinc/50/76/81/522507681.db2.gz CZMRLHYUDHQVNW-BZNIZROVSA-N 2 2 289.379 2.440 10 0 CEAELP C[N@H+](C[C@@H]1CCCCO1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883470 523034984 /nfs/dbraw/zinc/03/49/84/523034984.db2.gz MEPLQRBDHJSSNL-JKSUJKDBSA-N 2 2 262.397 2.361 10 0 CEAELP C[N@@H+](C[C@@H]1CCCCO1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883470 523034991 /nfs/dbraw/zinc/03/49/91/523034991.db2.gz MEPLQRBDHJSSNL-JKSUJKDBSA-N 2 2 262.397 2.361 10 0 CEAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502791 523232683 /nfs/dbraw/zinc/23/26/83/523232683.db2.gz RIDPUOAPNRPATM-INIZCTEOSA-N 2 2 273.380 2.203 10 0 CEAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502791 523232689 /nfs/dbraw/zinc/23/26/89/523232689.db2.gz RIDPUOAPNRPATM-INIZCTEOSA-N 2 2 273.380 2.203 10 0 CEAELP CC[C@H]1C[N@H+](CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181697 523272942 /nfs/dbraw/zinc/27/29/42/523272942.db2.gz QFQVYZJVFOUOPT-INIZCTEOSA-N 2 2 298.471 2.140 10 0 CEAELP CC[C@H]1C[N@@H+](CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181697 523272948 /nfs/dbraw/zinc/27/29/48/523272948.db2.gz QFQVYZJVFOUOPT-INIZCTEOSA-N 2 2 298.471 2.140 10 0 CEAELP C[N@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590036 523446263 /nfs/dbraw/zinc/44/62/63/523446263.db2.gz YFOYTTAWTDRFEF-GFCCVEGCSA-N 2 2 256.440 2.404 10 0 CEAELP C[N@@H+](Cc1cccs1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590036 523446276 /nfs/dbraw/zinc/44/62/76/523446276.db2.gz YFOYTTAWTDRFEF-GFCCVEGCSA-N 2 2 256.440 2.404 10 0 CEAELP CC[C@H](C(=O)c1ccccc1)[N@H+](C)C1CC[NH2+]CC1 ZINC000050158729 523817556 /nfs/dbraw/zinc/81/75/56/523817556.db2.gz XFYSOPFKAJQUSR-OAHLLOKOSA-N 2 2 260.381 2.332 10 0 CEAELP CC[C@H](C(=O)c1ccccc1)[N@@H+](C)C1CC[NH2+]CC1 ZINC000050158729 523817562 /nfs/dbraw/zinc/81/75/62/523817562.db2.gz XFYSOPFKAJQUSR-OAHLLOKOSA-N 2 2 260.381 2.332 10 0 CEAELP COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1c(C)[nH+]c2ccccc21 ZINC000068648795 523819533 /nfs/dbraw/zinc/81/95/33/523819533.db2.gz QMQSXEGPLAYWHI-BMIGLBTASA-N 2 2 275.352 2.186 10 0 CEAELP COC(=O)[C@H](CCn1c(C)[nH+]c2ccccc21)[NH2+]C(C)C ZINC000062534787 523900628 /nfs/dbraw/zinc/90/06/28/523900628.db2.gz UNDJRGBQXNMOMP-AWEZNQCLSA-N 2 2 289.379 2.274 10 0 CEAELP C[NH+](C)C1CC[NH+](CCNc2ccc(F)cc2)CC1 ZINC000053382846 524040465 /nfs/dbraw/zinc/04/04/65/524040465.db2.gz LRMUFIPRBZTQCD-UHFFFAOYSA-N 2 2 265.376 2.264 10 0 CEAELP COc1ccc(Cl)cc1Cn1cc[nH+]c1C[C@H](C)[NH3+] ZINC000062802871 524213817 /nfs/dbraw/zinc/21/38/17/524213817.db2.gz VETVZJOYWUSNTM-JTQLQIEISA-N 2 2 279.771 2.483 10 0 CEAELP Cc1cc(C[N@@H+]2CCO[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052382808 524701056 /nfs/dbraw/zinc/70/10/56/524701056.db2.gz ZYOFSMRVUMDUPP-CYBMUJFWSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1cc(C[N@H+]2CCO[C@H](C)C2)oc1C[NH2+]C(C)C ZINC000052382808 524701067 /nfs/dbraw/zinc/70/10/67/524701067.db2.gz ZYOFSMRVUMDUPP-CYBMUJFWSA-N 2 2 266.385 2.307 10 0 CEAELP C[C@@H](C[NH2+]C(C)(C)C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000052418579 524734608 /nfs/dbraw/zinc/73/46/08/524734608.db2.gz AIOSOHCEMOHGRC-HNNXBMFYSA-N 2 2 290.455 2.228 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757629 524838009 /nfs/dbraw/zinc/83/80/09/524838009.db2.gz AXLVMUURHFPUFY-MAZHCROVSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757629 524838013 /nfs/dbraw/zinc/83/80/13/524838013.db2.gz AXLVMUURHFPUFY-MAZHCROVSA-N 2 2 280.387 2.451 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N1CCn2cc[nH+]c2C1 ZINC000062245708 524853558 /nfs/dbraw/zinc/85/35/58/524853558.db2.gz IRFURRFOALQZLV-XHDPSFHLSA-N 2 2 290.798 2.441 10 0 CEAELP C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)C2(CCCC2)C[NH2+]1 ZINC000068698741 525022346 /nfs/dbraw/zinc/02/23/46/525022346.db2.gz HAALEBODFCSJRV-CQSZACIVSA-N 2 2 284.407 2.441 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380451 525023863 /nfs/dbraw/zinc/02/38/63/525023863.db2.gz QYLCBSZDBYFHPO-TXEJJXNPSA-N 2 2 264.369 2.141 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380451 525023871 /nfs/dbraw/zinc/02/38/71/525023871.db2.gz QYLCBSZDBYFHPO-TXEJJXNPSA-N 2 2 264.369 2.141 10 0 CEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757152 525210713 /nfs/dbraw/zinc/21/07/13/525210713.db2.gz DSXXHKQDBDWDAO-FRFSOERESA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757152 525210727 /nfs/dbraw/zinc/21/07/27/525210727.db2.gz DSXXHKQDBDWDAO-FRFSOERESA-N 2 2 292.423 2.320 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)ccc1F ZINC000050546114 525536871 /nfs/dbraw/zinc/53/68/71/525536871.db2.gz FIMSPOKEMRJBDE-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)ccc1F ZINC000050546114 525536877 /nfs/dbraw/zinc/53/68/77/525536877.db2.gz FIMSPOKEMRJBDE-HNNXBMFYSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCC[N@H+]2C)cs1 ZINC000052205832 526887786 /nfs/dbraw/zinc/88/77/86/526887786.db2.gz MAJDOZBXGYUYFD-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000052205832 526887792 /nfs/dbraw/zinc/88/77/92/526887792.db2.gz MAJDOZBXGYUYFD-ZDUSSCGKSA-N 2 2 253.415 2.416 10 0 CEAELP Cc1nc[nH]c1C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000054794316 527170343 /nfs/dbraw/zinc/17/03/43/527170343.db2.gz IACTVOUWWOVMKE-UHFFFAOYSA-N 2 2 269.352 2.166 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1cc[nH+]c(NN)c1 ZINC000052726310 527171004 /nfs/dbraw/zinc/17/10/04/527171004.db2.gz QKUFSTVXSWZTQR-UHFFFAOYSA-N 2 2 253.309 2.074 10 0 CEAELP Cc1nc(N2CCC[C@H](C[NH2+]CC(C)C)C2)cc[nH+]1 ZINC000054937668 527346251 /nfs/dbraw/zinc/34/62/51/527346251.db2.gz XXKHABBCJAORCL-CQSZACIVSA-N 2 2 262.401 2.247 10 0 CEAELP FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054764941 527671552 /nfs/dbraw/zinc/67/15/52/527671552.db2.gz AFBXCLDYERVFBH-KOLCDFICSA-N 2 2 277.290 2.389 10 0 CEAELP COc1c(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)nn1C ZINC000134108611 652771667 /nfs/dbraw/zinc/77/16/67/652771667.db2.gz IOELKBREURBIBN-ZDUSSCGKSA-N 2 2 294.443 2.091 10 0 CEAELP COc1c(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)nn1C ZINC000134108611 652771670 /nfs/dbraw/zinc/77/16/70/652771670.db2.gz IOELKBREURBIBN-ZDUSSCGKSA-N 2 2 294.443 2.091 10 0 CEAELP CC(C)CCOCCn1c[nH+]cc1[C@H]1CC[NH2+]C1 ZINC000097023053 185154239 /nfs/dbraw/zinc/15/42/39/185154239.db2.gz JKWBPYMDIOBOLT-ZDUSSCGKSA-N 2 2 251.374 2.023 10 0 CEAELP C[C@H]([NH2+]CC[NH2+][C@@H](C)c1ccncc1)c1ccncc1 ZINC000022035251 343378544 /nfs/dbraw/zinc/37/85/44/343378544.db2.gz BFOGSPSCGNNNHA-KBPBESRZSA-N 2 2 270.380 2.478 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438668 344374399 /nfs/dbraw/zinc/37/43/99/344374399.db2.gz KZARUQDRATZOQS-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)cc2C)C1 ZINC000134438668 344374400 /nfs/dbraw/zinc/37/44/00/344374400.db2.gz KZARUQDRATZOQS-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437204 344374441 /nfs/dbraw/zinc/37/44/41/344374441.db2.gz ASEGTQYJXUGLHM-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2cccc(C)c2C)C1 ZINC000134437204 344374442 /nfs/dbraw/zinc/37/44/42/344374442.db2.gz ASEGTQYJXUGLHM-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[NH+](C)C)cc1Br ZINC000164865673 344473081 /nfs/dbraw/zinc/47/30/81/344473081.db2.gz YYJAQWLNHFPUOZ-NSHDSACASA-N 2 2 257.175 2.319 10 0 CEAELP COc1cccc(F)c1[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000084945650 178933860 /nfs/dbraw/zinc/93/38/60/178933860.db2.gz IIRPHYSGZUVMAK-SNVBAGLBSA-N 2 2 252.333 2.318 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCC2)C1(C)C ZINC000085397835 179049812 /nfs/dbraw/zinc/04/98/12/179049812.db2.gz OWKCHZROBPVBSW-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498897 179083346 /nfs/dbraw/zinc/08/33/46/179083346.db2.gz HFMNYDHMAZGXIU-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498897 179083348 /nfs/dbraw/zinc/08/33/48/179083348.db2.gz HFMNYDHMAZGXIU-KGLIPLIRSA-N 2 2 252.402 2.020 10 0 CEAELP COCC[N@@H+]1CC2(CCCCC2)[NH2+]C[C@H]1C(C)C ZINC000085502981 179084449 /nfs/dbraw/zinc/08/44/49/179084449.db2.gz QJXLFJUOZJTTLM-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP COCC[N@H+]1CC2(CCCCC2)[NH2+]C[C@H]1C(C)C ZINC000085502981 179084451 /nfs/dbraw/zinc/08/44/51/179084451.db2.gz QJXLFJUOZJTTLM-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP Cc1nc2c(n1-c1ccc([NH+]3CCCC3)cc1)CC[NH2+]C2 ZINC000085572224 179097131 /nfs/dbraw/zinc/09/71/31/179097131.db2.gz QSMUIDZALVIIOD-UHFFFAOYSA-N 2 2 282.391 2.427 10 0 CEAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624306 179106626 /nfs/dbraw/zinc/10/66/26/179106626.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 3 2 278.444 2.290 10 0 CEAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624306 179106627 /nfs/dbraw/zinc/10/66/27/179106627.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 3 2 278.444 2.290 10 0 CEAELP CC(C)C[C@H]1C[N@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085611429 179102156 /nfs/dbraw/zinc/10/21/56/179102156.db2.gz RRHCPSDGPORDKO-HNNXBMFYSA-N 2 2 254.418 2.123 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](CC2CCOCC2)CCC[NH2+]1 ZINC000085611429 179102159 /nfs/dbraw/zinc/10/21/59/179102159.db2.gz RRHCPSDGPORDKO-HNNXBMFYSA-N 2 2 254.418 2.123 10 0 CEAELP CCn1cc(C[N@@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000085613889 179102903 /nfs/dbraw/zinc/10/29/03/179102903.db2.gz FNMKUJRZKSLDTE-CQSZACIVSA-N 2 2 264.417 2.113 10 0 CEAELP CCn1cc(C[N@H+]2CCC[NH2+][C@@H](C(C)(C)C)C2)cn1 ZINC000085613889 179102905 /nfs/dbraw/zinc/10/29/05/179102905.db2.gz FNMKUJRZKSLDTE-CQSZACIVSA-N 2 2 264.417 2.113 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675499 179112332 /nfs/dbraw/zinc/11/23/32/179112332.db2.gz KJURBNAPIVFZMK-AJNGGQMLSA-N 2 2 268.445 2.366 10 0 CEAELP CCO[C@@H]1C[C@H]([NH2+]CCc2[nH+]ccn2C)C12CCCC2 ZINC000085680384 179113262 /nfs/dbraw/zinc/11/32/62/179113262.db2.gz KHGXWYPJDMTMNE-UONOGXRCSA-N 2 2 277.412 2.290 10 0 CEAELP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000085636204 179109167 /nfs/dbraw/zinc/10/91/67/179109167.db2.gz DCDYJQMQCFEGGE-BARDWOONSA-N 2 2 266.429 2.264 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H](C)COC ZINC000086260983 179260658 /nfs/dbraw/zinc/26/06/58/179260658.db2.gz JHNMBRXMGZFNSD-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H](C)COC ZINC000086260983 179260661 /nfs/dbraw/zinc/26/06/61/179260661.db2.gz JHNMBRXMGZFNSD-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259074 179257014 /nfs/dbraw/zinc/25/70/14/179257014.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259074 179257016 /nfs/dbraw/zinc/25/70/16/179257016.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 3 2 279.472 2.325 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259025 179257236 /nfs/dbraw/zinc/25/72/36/179257236.db2.gz FVWWWXMTTKHTNE-OAHLLOKOSA-N 3 2 279.472 2.325 10 0 CEAELP C[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1CC1CC[NH+](C)CC1 ZINC000086259025 179257237 /nfs/dbraw/zinc/25/72/37/179257237.db2.gz FVWWWXMTTKHTNE-OAHLLOKOSA-N 3 2 279.472 2.325 10 0 CEAELP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+][C@@H](CC(C)C)C2)CC1 ZINC000086291494 179266000 /nfs/dbraw/zinc/26/60/00/179266000.db2.gz GYOIIMWWNGSTKD-KRWDZBQOSA-N 3 2 281.488 2.428 10 0 CEAELP CC[NH+]1CCC(C[N@H+]2CCC[NH2+][C@@H](CC(C)C)C2)CC1 ZINC000086291494 179266003 /nfs/dbraw/zinc/26/60/03/179266003.db2.gz GYOIIMWWNGSTKD-KRWDZBQOSA-N 3 2 281.488 2.428 10 0 CEAELP COc1cc(C[N@@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)ccn1 ZINC000086296352 179267619 /nfs/dbraw/zinc/26/76/19/179267619.db2.gz BIANMSPNAJYKKV-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP COc1cc(C[N@H+]2CCC[NH2+][C@@](C)(C3CC3)C2)ccn1 ZINC000086296352 179267622 /nfs/dbraw/zinc/26/76/22/179267622.db2.gz BIANMSPNAJYKKV-MRXNPFEDSA-N 2 2 275.396 2.054 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897081 365940552 /nfs/dbraw/zinc/94/05/52/365940552.db2.gz OQTFJDOQTWJATB-QWHCGFSZSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)C1 ZINC000336897081 365940561 /nfs/dbraw/zinc/94/05/61/365940561.db2.gz OQTFJDOQTWJATB-QWHCGFSZSA-N 2 2 278.396 2.449 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840338 179350969 /nfs/dbraw/zinc/35/09/69/179350969.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 3 2 265.445 2.077 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086840338 179350971 /nfs/dbraw/zinc/35/09/71/179350971.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 3 2 265.445 2.077 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+]Cc2csc(C)n2)CC1 ZINC000086842575 179352982 /nfs/dbraw/zinc/35/29/82/179352982.db2.gz MTYUEPDPCMQZLO-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+]Cc2csc(C)n2)CC1 ZINC000086842575 179352984 /nfs/dbraw/zinc/35/29/84/179352984.db2.gz MTYUEPDPCMQZLO-LBPRGKRZSA-N 2 2 253.415 2.416 10 0 CEAELP CC(C)[N@@H+]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000086845111 179354825 /nfs/dbraw/zinc/35/48/25/179354825.db2.gz SLWSZQDBCODOIF-LBPRGKRZSA-N 2 2 253.415 2.496 10 0 CEAELP CC(C)[N@H+]1CCC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000086845111 179354826 /nfs/dbraw/zinc/35/48/26/179354826.db2.gz SLWSZQDBCODOIF-LBPRGKRZSA-N 2 2 253.415 2.496 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH2+]CCOC)(c2nc(C)cs2)CC1 ZINC000086851693 179359907 /nfs/dbraw/zinc/35/99/07/179359907.db2.gz XJMFBRWJZXMYGF-OAHLLOKOSA-N 2 2 297.468 2.389 10 0 CEAELP CC[N@H+]1CCC[C@]([NH2+]CCOC)(c2nc(C)cs2)CC1 ZINC000086851693 179359909 /nfs/dbraw/zinc/35/99/09/179359909.db2.gz XJMFBRWJZXMYGF-OAHLLOKOSA-N 2 2 297.468 2.389 10 0 CEAELP CCC[N@@H+]1CCC[C@@](O)(c2cc(C)c[nH+]c2N)CC1 ZINC000086852748 179359327 /nfs/dbraw/zinc/35/93/27/179359327.db2.gz FKTMVEJPPXTHRT-HNNXBMFYSA-N 2 2 263.385 2.056 10 0 CEAELP CCC[N@H+]1CCC[C@@](O)(c2cc(C)c[nH+]c2N)CC1 ZINC000086852748 179359330 /nfs/dbraw/zinc/35/93/30/179359330.db2.gz FKTMVEJPPXTHRT-HNNXBMFYSA-N 2 2 263.385 2.056 10 0 CEAELP CCC1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000087052948 179388625 /nfs/dbraw/zinc/38/86/25/179388625.db2.gz HNYWEKHKOQAYPB-HWOWSKLDSA-N 2 2 268.445 2.390 10 0 CEAELP CCC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000087052948 179388626 /nfs/dbraw/zinc/38/86/26/179388626.db2.gz HNYWEKHKOQAYPB-HWOWSKLDSA-N 2 2 268.445 2.390 10 0 CEAELP COCCC[NH2+]CC[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000088243136 179569382 /nfs/dbraw/zinc/56/93/82/179569382.db2.gz MQVUEOWJVUSTCC-OAHLLOKOSA-N 2 2 294.439 2.184 10 0 CEAELP COCCC[NH2+]CC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000088243136 179569383 /nfs/dbraw/zinc/56/93/83/179569383.db2.gz MQVUEOWJVUSTCC-OAHLLOKOSA-N 2 2 294.439 2.184 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2[nH+]1 ZINC000089453831 539716637 /nfs/dbraw/zinc/71/66/37/539716637.db2.gz HBSCYGNIFKCGPP-PWSUYJOCSA-N 2 2 272.352 2.185 10 0 CEAELP CCn1c[nH+]cc1[C@H](C[NH3+])N(C)c1ccccc1OC ZINC000090174807 179926168 /nfs/dbraw/zinc/92/61/68/179926168.db2.gz XOAABDUOWOSTFY-ZDUSSCGKSA-N 2 2 274.368 2.048 10 0 CEAELP COc1ccc(C[N@H+](CC2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000090547625 180001778 /nfs/dbraw/zinc/00/17/78/180001778.db2.gz VMQIIBXKPCCSHU-OAHLLOKOSA-N 2 2 260.381 2.269 10 0 CEAELP COc1ccc(C[N@@H+](CC2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000090547625 180001780 /nfs/dbraw/zinc/00/17/80/180001780.db2.gz VMQIIBXKPCCSHU-OAHLLOKOSA-N 2 2 260.381 2.269 10 0 CEAELP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1F ZINC000090566299 180006116 /nfs/dbraw/zinc/00/61/16/180006116.db2.gz BJSGUERSZVPIPD-ZBFHGGJFSA-N 2 2 280.387 2.272 10 0 CEAELP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+](C)Cc1ccccc1F ZINC000090566299 180006117 /nfs/dbraw/zinc/00/61/17/180006117.db2.gz BJSGUERSZVPIPD-ZBFHGGJFSA-N 2 2 280.387 2.272 10 0 CEAELP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693339 180025315 /nfs/dbraw/zinc/02/53/15/180025315.db2.gz XVRZGFFRQWNDRO-KGLIPLIRSA-N 2 2 283.460 2.144 10 0 CEAELP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693339 180025317 /nfs/dbraw/zinc/02/53/17/180025317.db2.gz XVRZGFFRQWNDRO-KGLIPLIRSA-N 2 2 283.460 2.144 10 0 CEAELP CCC[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875356 180050807 /nfs/dbraw/zinc/05/08/07/180050807.db2.gz CPTDFBDMZHUYJY-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP CCC[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875356 180050811 /nfs/dbraw/zinc/05/08/11/180050811.db2.gz CPTDFBDMZHUYJY-HOTGVXAUSA-N 2 2 274.408 2.454 10 0 CEAELP CC[NH2+]CC[N@H+](CC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893485 180054810 /nfs/dbraw/zinc/05/48/10/180054810.db2.gz IYRHZRFRUHRDNY-AWEZNQCLSA-N 2 2 266.360 2.061 10 0 CEAELP CC[NH2+]CC[N@@H+](CC)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893485 180054812 /nfs/dbraw/zinc/05/48/12/180054812.db2.gz IYRHZRFRUHRDNY-AWEZNQCLSA-N 2 2 266.360 2.061 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)O2 ZINC000090897656 180056962 /nfs/dbraw/zinc/05/69/62/180056962.db2.gz IAIOLDDDXOLUDB-UKRRQHHQSA-N 2 2 271.364 2.173 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C[NH+](C)C)C(C)C)O2 ZINC000090897650 180057400 /nfs/dbraw/zinc/05/74/00/180057400.db2.gz NCSUGWIGIJOFGI-HZPDHXFCSA-N 2 2 276.424 2.474 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898954 180058299 /nfs/dbraw/zinc/05/82/99/180058299.db2.gz HQJKYATUJKQQSJ-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CC[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898954 180058301 /nfs/dbraw/zinc/05/83/01/180058301.db2.gz HQJKYATUJKQQSJ-CVEARBPZSA-N 2 2 274.408 2.372 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907505 180061788 /nfs/dbraw/zinc/06/17/88/180061788.db2.gz VJSVGJMWWVTYHQ-GASCZTMLSA-N 2 2 266.429 2.408 10 0 CEAELP CCC(CC)(C[NH2+]C1CC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907505 180061789 /nfs/dbraw/zinc/06/17/89/180061789.db2.gz VJSVGJMWWVTYHQ-GASCZTMLSA-N 2 2 266.429 2.408 10 0 CEAELP C[NH2+]Cc1cn(CCn2cc[nH+]c2)c2ccccc12 ZINC000090995344 180082885 /nfs/dbraw/zinc/08/28/85/180082885.db2.gz PCBHVKSFSMISSE-UHFFFAOYSA-N 2 2 254.337 2.257 10 0 CEAELP Cc1nn(Cc2c[nH+]cn2C)c(C)c1C[NH2+]CC(C)C ZINC000091002316 180083724 /nfs/dbraw/zinc/08/37/24/180083724.db2.gz RRLIACZSSIBMDJ-UHFFFAOYSA-N 2 2 275.400 2.027 10 0 CEAELP [NH3+]Cc1cn(Cc2[nH+]ccn2C(F)F)c2ncccc12 ZINC000091019209 180087739 /nfs/dbraw/zinc/08/77/39/180087739.db2.gz ZFMIMFGHYFUAEO-UHFFFAOYSA-N 2 2 277.278 2.135 10 0 CEAELP C[NH2+]Cc1cn(Cc2[nH+]ccn2C(F)F)c2ncccc12 ZINC000091019788 180088006 /nfs/dbraw/zinc/08/80/06/180088006.db2.gz RIGPFIIOQOGPKJ-UHFFFAOYSA-N 2 2 291.305 2.396 10 0 CEAELP CCCNC(=O)C[C@H](C[NH3+])[N@H+](Cc1cccs1)C(C)C ZINC000091317320 180133756 /nfs/dbraw/zinc/13/37/56/180133756.db2.gz DLTRFZWNNWIWQC-CYBMUJFWSA-N 2 2 297.468 2.202 10 0 CEAELP CCCNC(=O)C[C@H](C[NH3+])[N@@H+](Cc1cccs1)C(C)C ZINC000091317320 180133758 /nfs/dbraw/zinc/13/37/58/180133758.db2.gz DLTRFZWNNWIWQC-CYBMUJFWSA-N 2 2 297.468 2.202 10 0 CEAELP CC(C)n1c[nH+]cc1[C@H](O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091273625 180117898 /nfs/dbraw/zinc/11/78/98/180117898.db2.gz MIWOIMMUMNCNIQ-GJZGRUSLSA-N 2 2 257.337 2.342 10 0 CEAELP CCN(Cc1ccco1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276334 180119643 /nfs/dbraw/zinc/11/96/43/180119643.db2.gz MLXAWPICRIJVJF-CQSZACIVSA-N 2 2 274.368 2.333 10 0 CEAELP CC1(C)CCCN([C@@H](C[NH3+])c2c[nH+]cn2C2CC2)C1 ZINC000091276591 180120052 /nfs/dbraw/zinc/12/00/52/180120052.db2.gz SEGJXHUIWXCDKI-ZDUSSCGKSA-N 2 2 262.401 2.340 10 0 CEAELP [NH3+]C[C@H](c1c[nH+]cn1C1CC1)N(CC1CC1)C1CC1 ZINC000091276606 180120269 /nfs/dbraw/zinc/12/02/69/180120269.db2.gz YVIQWCDQQIDCDX-CQSZACIVSA-N 2 2 260.385 2.092 10 0 CEAELP CC[C@H]([NH2+]CC[C@@H]1CSCC[NH2+]1)c1nccs1 ZINC000091292340 180123592 /nfs/dbraw/zinc/12/35/92/180123592.db2.gz YHLADYMMMHYWOX-MNOVXSKESA-N 2 2 271.455 2.279 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461016 180161273 /nfs/dbraw/zinc/16/12/73/180161273.db2.gz JDPKNEFDXHGJDJ-KCVDBAPCSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461016 180161274 /nfs/dbraw/zinc/16/12/74/180161274.db2.gz JDPKNEFDXHGJDJ-KCVDBAPCSA-N 2 2 282.815 2.431 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000091403870 180147325 /nfs/dbraw/zinc/14/73/25/180147325.db2.gz ZNFXQCLADOLXIO-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000091403870 180147327 /nfs/dbraw/zinc/14/73/27/180147327.db2.gz ZNFXQCLADOLXIO-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCCC1 ZINC000091638278 180212094 /nfs/dbraw/zinc/21/20/94/180212094.db2.gz WIJZHULWPYODJT-OAHLLOKOSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](Cc1nn(CC)c2ccccc12)C[NH+](C)C ZINC000091719847 180234100 /nfs/dbraw/zinc/23/41/00/180234100.db2.gz STPWRXLOKSOLGV-CYBMUJFWSA-N 2 2 274.412 2.138 10 0 CEAELP CCC[NH2+][C@@H](Cc1ccn([C@@H](C)CC)n1)C[NH+](C)C ZINC000091719928 180234422 /nfs/dbraw/zinc/23/44/22/180234422.db2.gz DYNCGSIABSAUAW-ZFWWWQNUSA-N 2 2 266.433 2.326 10 0 CEAELP CC[NH2+][C@@H](Cc1ccc2ccccc2n1)C[NH+](C)C ZINC000091719752 180234477 /nfs/dbraw/zinc/23/44/77/180234477.db2.gz NXCGSOMPPBKZIM-HNNXBMFYSA-N 2 2 257.381 2.317 10 0 CEAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721303 180238231 /nfs/dbraw/zinc/23/82/31/180238231.db2.gz HCPYJFLAIPSAGX-BRWVUGGUSA-N 2 2 274.408 2.427 10 0 CEAELP C[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721303 180238233 /nfs/dbraw/zinc/23/82/33/180238233.db2.gz HCPYJFLAIPSAGX-BRWVUGGUSA-N 2 2 274.408 2.427 10 0 CEAELP CC[NH2+][C@H](Cc1cccs1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721765 180238457 /nfs/dbraw/zinc/23/84/57/180238457.db2.gz UYAOKSKROOUXIB-YUELXQCFSA-N 2 2 280.437 2.132 10 0 CEAELP CC[NH2+][C@H](Cc1cccs1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721765 180238458 /nfs/dbraw/zinc/23/84/58/180238458.db2.gz UYAOKSKROOUXIB-YUELXQCFSA-N 2 2 280.437 2.132 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@H+](C)CCC[NH+](C)C)o1 ZINC000091782615 180254743 /nfs/dbraw/zinc/25/47/43/180254743.db2.gz YCDPABPTNXCQHM-LLVKDONJSA-N 2 2 268.357 2.011 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCC[NH+](C)C)o1 ZINC000091782615 180254746 /nfs/dbraw/zinc/25/47/46/180254746.db2.gz YCDPABPTNXCQHM-LLVKDONJSA-N 2 2 268.357 2.011 10 0 CEAELP Cc1nc([C@@H]2C[N@H+](C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723163 180241687 /nfs/dbraw/zinc/24/16/87/180241687.db2.gz KDSOFWLMRMPOBZ-LBPRGKRZSA-N 2 2 283.441 2.200 10 0 CEAELP Cc1nc([C@@H]2C[N@@H+](C)CCO2)sc1C[NH2+]CC(C)C ZINC000091723163 180241688 /nfs/dbraw/zinc/24/16/88/180241688.db2.gz KDSOFWLMRMPOBZ-LBPRGKRZSA-N 2 2 283.441 2.200 10 0 CEAELP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235639351 539785188 /nfs/dbraw/zinc/78/51/88/539785188.db2.gz ARAWXSSYAYHBMF-GWCFXTLKSA-N 2 2 254.374 2.197 10 0 CEAELP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000235639351 539785190 /nfs/dbraw/zinc/78/51/90/539785190.db2.gz ARAWXSSYAYHBMF-GWCFXTLKSA-N 2 2 254.374 2.197 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(OC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000092054505 180314417 /nfs/dbraw/zinc/31/44/17/180314417.db2.gz UXDXJTDYHHJFDA-QGZVFWFLSA-N 2 2 292.423 2.142 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(OC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000092054505 180314419 /nfs/dbraw/zinc/31/44/19/180314419.db2.gz UXDXJTDYHHJFDA-QGZVFWFLSA-N 2 2 292.423 2.142 10 0 CEAELP C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2S1)[NH+](C)C ZINC000092243728 180351571 /nfs/dbraw/zinc/35/15/71/180351571.db2.gz ZWILWMJWBWBTEY-AAEUAGOBSA-N 2 2 250.411 2.243 10 0 CEAELP C[C@H](C[NH2+]C[C@@H]1Cc2ccccc2S1)[NH+](C)C ZINC000092243730 180351708 /nfs/dbraw/zinc/35/17/08/180351708.db2.gz ZWILWMJWBWBTEY-YPMHNXCESA-N 2 2 250.411 2.243 10 0 CEAELP C[N@H+](CC[NH2+]CCSc1ccccc1)C1CC1 ZINC000092244140 180352176 /nfs/dbraw/zinc/35/21/76/180352176.db2.gz CVJAIEJJOSMODN-UHFFFAOYSA-N 2 2 250.411 2.463 10 0 CEAELP C[N@@H+](CC[NH2+]CCSc1ccccc1)C1CC1 ZINC000092244140 180352178 /nfs/dbraw/zinc/35/21/78/180352178.db2.gz CVJAIEJJOSMODN-UHFFFAOYSA-N 2 2 250.411 2.463 10 0 CEAELP COc1ccc(CC[NH2+]CC(C)(C)[NH+](C)C)cc1 ZINC000105958040 186094898 /nfs/dbraw/zinc/09/48/98/186094898.db2.gz KWEWKQNSRZUNFX-UHFFFAOYSA-N 2 2 250.386 2.168 10 0 CEAELP CCCNc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000092371271 180370082 /nfs/dbraw/zinc/37/00/82/180370082.db2.gz DTXAQSYNYLNXPG-OAHLLOKOSA-N 2 2 276.428 2.430 10 0 CEAELP CCNc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000092370521 180370419 /nfs/dbraw/zinc/37/04/19/180370419.db2.gz LWOCGBYXKXHXFZ-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP CCNc1cccc(CN2CCC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000092370521 180370422 /nfs/dbraw/zinc/37/04/22/180370422.db2.gz LWOCGBYXKXHXFZ-OAHLLOKOSA-N 2 2 274.412 2.184 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417268 180381302 /nfs/dbraw/zinc/38/13/02/180381302.db2.gz MGZCCOJAHSSJQF-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417268 180381303 /nfs/dbraw/zinc/38/13/03/180381303.db2.gz MGZCCOJAHSSJQF-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP CNc1cc[nH+]c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1 ZINC000092419296 180381945 /nfs/dbraw/zinc/38/19/45/180381945.db2.gz NPSOWPKMSOZBMI-GHMZBOCLSA-N 2 2 251.399 2.449 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](CCC(C)C)C1CC1 ZINC000109623870 186268714 /nfs/dbraw/zinc/26/87/14/186268714.db2.gz SFCBWSFGRSGXNE-CABCVRRESA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](CCC(C)C)C1CC1 ZINC000109623870 186268716 /nfs/dbraw/zinc/26/87/16/186268716.db2.gz SFCBWSFGRSGXNE-CABCVRRESA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]([NH2+]CC[NH+](C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110550898 186302888 /nfs/dbraw/zinc/30/28/88/186302888.db2.gz RMLIKVCSPZROHA-UONOGXRCSA-N 2 2 299.459 2.173 10 0 CEAELP C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926650 186333991 /nfs/dbraw/zinc/33/39/91/186333991.db2.gz WJBRNBCWYQDDHO-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926650 186333993 /nfs/dbraw/zinc/33/39/93/186333993.db2.gz WJBRNBCWYQDDHO-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP CCN(c1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000110947245 186335734 /nfs/dbraw/zinc/33/57/34/186335734.db2.gz YWWFUHSWFZVJMK-CYBMUJFWSA-N 2 2 262.401 2.487 10 0 CEAELP CCOc1cc(N[C@@H](C)CC[NH+](C)C)ccc1[NH3+] ZINC000111052935 186348708 /nfs/dbraw/zinc/34/87/08/186348708.db2.gz LWDBDRPKJACMIH-NSHDSACASA-N 2 2 251.374 2.420 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111154176 186361218 /nfs/dbraw/zinc/36/12/18/186361218.db2.gz BWFAMOVHZPDHSH-LZWOXQAQSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111154176 186361219 /nfs/dbraw/zinc/36/12/19/186361219.db2.gz BWFAMOVHZPDHSH-LZWOXQAQSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CC1CCOCC1 ZINC000111155604 186361703 /nfs/dbraw/zinc/36/17/03/186361703.db2.gz HTLHBYRVYIKJEP-HOCLYGCPSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CC1CCOCC1 ZINC000111155604 186361705 /nfs/dbraw/zinc/36/17/05/186361705.db2.gz HTLHBYRVYIKJEP-HOCLYGCPSA-N 2 2 277.412 2.218 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111155870 186361984 /nfs/dbraw/zinc/36/19/84/186361984.db2.gz FCOZQLWLSNATLR-HIFRSBDPSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111155870 186361986 /nfs/dbraw/zinc/36/19/86/186361986.db2.gz FCOZQLWLSNATLR-HIFRSBDPSA-N 2 2 266.385 2.416 10 0 CEAELP CCOc1ccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111160042 186362090 /nfs/dbraw/zinc/36/20/90/186362090.db2.gz MJCVHACONGKEIH-KRWDZBQOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111160042 186362092 /nfs/dbraw/zinc/36/20/92/186362092.db2.gz MJCVHACONGKEIH-KRWDZBQOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000111117046 186354549 /nfs/dbraw/zinc/35/45/49/186354549.db2.gz SXQJRQYDDBQCGR-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000111117046 186354550 /nfs/dbraw/zinc/35/45/50/186354550.db2.gz SXQJRQYDDBQCGR-OAHLLOKOSA-N 2 2 250.386 2.353 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000111136050 186357189 /nfs/dbraw/zinc/35/71/89/186357189.db2.gz MFRCOSDHOQJQGH-CQSZACIVSA-N 3 2 293.455 2.359 10 0 CEAELP C[NH2+][C@H](C)c1ccc(OC)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000111136050 186357190 /nfs/dbraw/zinc/35/71/90/186357190.db2.gz MFRCOSDHOQJQGH-CQSZACIVSA-N 3 2 293.455 2.359 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154622 186360106 /nfs/dbraw/zinc/36/01/06/186360106.db2.gz BCSQAZUBAGCSNV-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000111154622 186360107 /nfs/dbraw/zinc/36/01/07/186360107.db2.gz BCSQAZUBAGCSNV-JKIFEVAISA-N 2 2 292.423 2.442 10 0 CEAELP C[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321033 186396901 /nfs/dbraw/zinc/39/69/01/186396901.db2.gz JNEJQULJKRWVNP-BZPMIXESSA-N 2 2 280.437 2.421 10 0 CEAELP C[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111321033 186396902 /nfs/dbraw/zinc/39/69/02/186396902.db2.gz JNEJQULJKRWVNP-BZPMIXESSA-N 2 2 280.437 2.421 10 0 CEAELP CCC[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325511 186398360 /nfs/dbraw/zinc/39/83/60/186398360.db2.gz LSWOGUFOQHAXKA-QGZVFWFLSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccn2)CCCOC1 ZINC000111325511 186398362 /nfs/dbraw/zinc/39/83/62/186398362.db2.gz LSWOGUFOQHAXKA-QGZVFWFLSA-N 2 2 291.439 2.310 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325739 186398987 /nfs/dbraw/zinc/39/89/87/186398987.db2.gz MWAJGKIEPZFSEI-QGZVFWFLSA-N 2 2 291.439 2.308 10 0 CEAELP CC(C)[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325739 186398989 /nfs/dbraw/zinc/39/89/89/186398989.db2.gz MWAJGKIEPZFSEI-QGZVFWFLSA-N 2 2 291.439 2.308 10 0 CEAELP CO[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359309 351711223 /nfs/dbraw/zinc/71/12/23/351711223.db2.gz FNEKESSXOFEYIZ-GJZGRUSLSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)[C@](C)(C[NH3+])C1 ZINC000630359309 351711225 /nfs/dbraw/zinc/71/12/25/351711225.db2.gz FNEKESSXOFEYIZ-GJZGRUSLSA-N 2 2 298.814 2.157 10 0 CEAELP CC(C)c1nc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)no1 ZINC000122624710 187041643 /nfs/dbraw/zinc/04/16/43/187041643.db2.gz DWLKMSPGIZQQTF-LBPRGKRZSA-N 2 2 275.356 2.227 10 0 CEAELP CC(C)c1nc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)no1 ZINC000122624710 187041644 /nfs/dbraw/zinc/04/16/44/187041644.db2.gz DWLKMSPGIZQQTF-LBPRGKRZSA-N 2 2 275.356 2.227 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000156563401 540008927 /nfs/dbraw/zinc/00/89/27/540008927.db2.gz VUGQEUQLWHUNLI-IUODEOHRSA-N 2 2 271.364 2.096 10 0 CEAELP CC[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CC[N@H+]1CCOC ZINC000134949533 366378005 /nfs/dbraw/zinc/37/80/05/366378005.db2.gz WTUASFWWPZQHII-ZDUSSCGKSA-N 2 2 288.395 2.110 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000389469472 540357853 /nfs/dbraw/zinc/35/78/53/540357853.db2.gz UOVICICTWURXSE-KBPBESRZSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)C1 ZINC000389469472 540357855 /nfs/dbraw/zinc/35/78/55/540357855.db2.gz UOVICICTWURXSE-KBPBESRZSA-N 2 2 260.381 2.237 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364687 189046729 /nfs/dbraw/zinc/04/67/29/189046729.db2.gz RMFKVUKTJXFSEC-MRXNPFEDSA-N 2 2 299.422 2.183 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177364687 189046730 /nfs/dbraw/zinc/04/67/30/189046730.db2.gz RMFKVUKTJXFSEC-MRXNPFEDSA-N 2 2 299.422 2.183 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000182827952 189335996 /nfs/dbraw/zinc/33/59/96/189335996.db2.gz DTCRGXMSRDCHPF-KRWDZBQOSA-N 2 2 285.391 2.348 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(CO)cc1 ZINC000182827952 189335997 /nfs/dbraw/zinc/33/59/97/189335997.db2.gz DTCRGXMSRDCHPF-KRWDZBQOSA-N 2 2 285.391 2.348 10 0 CEAELP CCn1c[nH+]cc1CN[C@@H](C[NH+](C)C)c1ccccc1 ZINC000090169962 364044973 /nfs/dbraw/zinc/04/49/73/364044973.db2.gz HCFLLTJFHKPFLR-INIZCTEOSA-N 2 2 272.396 2.296 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH+]1 ZINC000092813419 364109405 /nfs/dbraw/zinc/10/94/05/364109405.db2.gz WQPBJFPGHSZAMT-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH+]1 ZINC000092813419 364109410 /nfs/dbraw/zinc/10/94/10/364109410.db2.gz WQPBJFPGHSZAMT-ZDUSSCGKSA-N 2 2 271.368 2.047 10 0 CEAELP C[C@H]1C[N@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000631840051 367580781 /nfs/dbraw/zinc/58/07/81/367580781.db2.gz OVVDFFIBVJRIDU-WDEREUQCSA-N 2 2 267.442 2.467 10 0 CEAELP C[C@H]1C[N@@H+](Cc2csc(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000631840051 367580786 /nfs/dbraw/zinc/58/07/86/367580786.db2.gz OVVDFFIBVJRIDU-WDEREUQCSA-N 2 2 267.442 2.467 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000180838138 368399637 /nfs/dbraw/zinc/39/96/37/368399637.db2.gz CQXZCCDIHOITSN-LSDHHAIUSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000180838138 368399645 /nfs/dbraw/zinc/39/96/45/368399645.db2.gz CQXZCCDIHOITSN-LSDHHAIUSA-N 2 2 284.407 2.393 10 0 CEAELP FC(F)COCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000189367404 369506398 /nfs/dbraw/zinc/50/63/98/369506398.db2.gz KGVDLCQGEYSETP-GFCCVEGCSA-N 2 2 285.338 2.097 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000220777743 370234153 /nfs/dbraw/zinc/23/41/53/370234153.db2.gz FEMKJHFLAAWXOW-SKDRFNHKSA-N 2 2 274.286 2.364 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000220777743 370234159 /nfs/dbraw/zinc/23/41/59/370234159.db2.gz FEMKJHFLAAWXOW-SKDRFNHKSA-N 2 2 274.286 2.364 10 0 CEAELP C[N@H+](Cc1nc(-c2cccs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231668305 370485115 /nfs/dbraw/zinc/48/51/15/370485115.db2.gz VTDJIDISPQKBIX-NSHDSACASA-N 2 2 292.408 2.372 10 0 CEAELP C[N@@H+](Cc1nc(-c2cccs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000231668305 370485121 /nfs/dbraw/zinc/48/51/21/370485121.db2.gz VTDJIDISPQKBIX-NSHDSACASA-N 2 2 292.408 2.372 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000247010796 371045075 /nfs/dbraw/zinc/04/50/75/371045075.db2.gz CDVKOHLHYKTFPZ-UONOGXRCSA-N 2 2 263.385 2.261 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H]2CCCO2)C1 ZINC000247010796 371045081 /nfs/dbraw/zinc/04/50/81/371045081.db2.gz CDVKOHLHYKTFPZ-UONOGXRCSA-N 2 2 263.385 2.261 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000247127531 371067900 /nfs/dbraw/zinc/06/79/00/371067900.db2.gz SARSNEDFXNIGLR-LSDHHAIUSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000247127531 371067903 /nfs/dbraw/zinc/06/79/03/371067903.db2.gz SARSNEDFXNIGLR-LSDHHAIUSA-N 2 2 263.385 2.225 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](C)OC)C1 ZINC000248433522 371194236 /nfs/dbraw/zinc/19/42/36/371194236.db2.gz QUJJLGVHAQXEFG-QWHCGFSZSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](C)OC)C1 ZINC000248433522 371194237 /nfs/dbraw/zinc/19/42/37/371194237.db2.gz QUJJLGVHAQXEFG-QWHCGFSZSA-N 2 2 251.374 2.117 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000261601782 371673556 /nfs/dbraw/zinc/67/35/56/371673556.db2.gz BTJFFPKXIZKUDZ-DJIMGWMZSA-N 3 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]12 ZINC000261601782 371673561 /nfs/dbraw/zinc/67/35/61/371673561.db2.gz BTJFFPKXIZKUDZ-DJIMGWMZSA-N 3 2 282.391 2.041 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261931333 371774741 /nfs/dbraw/zinc/77/47/41/371774741.db2.gz CTSHTEHSSWAHJB-GXFFZTMASA-N 2 2 288.313 2.407 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261931333 371774747 /nfs/dbraw/zinc/77/47/47/371774747.db2.gz CTSHTEHSSWAHJB-GXFFZTMASA-N 2 2 288.313 2.407 10 0 CEAELP COC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000262711646 371899189 /nfs/dbraw/zinc/89/91/89/371899189.db2.gz PVPKDPDIJVPWNE-XSCHDIRWSA-N 2 2 282.428 2.037 10 0 CEAELP COC(=O)C1CCC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000262711646 371899197 /nfs/dbraw/zinc/89/91/97/371899197.db2.gz PVPKDPDIJVPWNE-XSCHDIRWSA-N 2 2 282.428 2.037 10 0 CEAELP Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2c([nH+]1)CCCC2 ZINC000272808171 373665480 /nfs/dbraw/zinc/66/54/80/373665480.db2.gz CAHFMDRHHYSJAV-IAQYHMDHSA-N 2 2 274.412 2.050 10 0 CEAELP C[NH2+][C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000093787745 184722570 /nfs/dbraw/zinc/72/25/70/184722570.db2.gz IOGOFJOQIFXARQ-ZBFHGGJFSA-N 3 2 265.445 2.077 10 0 CEAELP CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1[nH+]ccn1C ZINC000094163451 184758916 /nfs/dbraw/zinc/75/89/16/184758916.db2.gz IPSVBNCFPAXQPL-ZDUSSCGKSA-N 2 2 266.433 2.191 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+]CC=C(C)C)nc[nH+]1 ZINC000237060430 131001233 /nfs/dbraw/zinc/00/12/33/131001233.db2.gz ZGPXBHQDRNOWIC-ZDUSSCGKSA-N 2 2 275.400 2.043 10 0 CEAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000135039052 394962814 /nfs/dbraw/zinc/96/28/14/394962814.db2.gz RIJMOAGJEVCXGH-GFCCVEGCSA-N 2 2 258.369 2.483 10 0 CEAELP CC[N@H+]1CCC[C@@H]1CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000135039052 394962817 /nfs/dbraw/zinc/96/28/17/394962817.db2.gz RIJMOAGJEVCXGH-GFCCVEGCSA-N 2 2 258.369 2.483 10 0 CEAELP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384427460 395193724 /nfs/dbraw/zinc/19/37/24/395193724.db2.gz DMLSVNXABDJBNF-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384427460 395193727 /nfs/dbraw/zinc/19/37/27/395193727.db2.gz DMLSVNXABDJBNF-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP CC[C@@H]1C[N@H+](Cc2nccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416533 396149438 /nfs/dbraw/zinc/14/94/38/396149438.db2.gz CYAUZVOWSWAYKJ-CHWSQXEVSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@@H]1C[N@@H+](Cc2nccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416533 396149440 /nfs/dbraw/zinc/14/94/40/396149440.db2.gz CYAUZVOWSWAYKJ-CHWSQXEVSA-N 2 2 250.390 2.023 10 0 CEAELP CC[C@@H]1CN(Cc2[nH+]ccn2C(C)C)CC[C@H]1[NH3+] ZINC000649416533 396149442 /nfs/dbraw/zinc/14/94/42/396149442.db2.gz CYAUZVOWSWAYKJ-CHWSQXEVSA-N 2 2 250.390 2.023 10 0 CEAELP [NH3+]C1CCC(C(=O)Nc2ccccc2-n2cc[nH+]c2)CC1 ZINC000037626940 400117886 /nfs/dbraw/zinc/11/78/86/400117886.db2.gz NZDICJJYFBTGHL-UHFFFAOYSA-N 2 2 284.363 2.328 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223147474 153317438 /nfs/dbraw/zinc/31/74/38/153317438.db2.gz YHAVQLFBQVKALF-RBSFLKMASA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223147474 153317442 /nfs/dbraw/zinc/31/74/42/153317442.db2.gz YHAVQLFBQVKALF-RBSFLKMASA-N 2 2 267.461 2.178 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCn1cccn1 ZINC000158818285 162309707 /nfs/dbraw/zinc/30/97/07/162309707.db2.gz QFWLGVLPJJQFEA-LSDHHAIUSA-N 2 2 266.433 2.228 10 0 CEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000182076584 165361696 /nfs/dbraw/zinc/36/16/96/165361696.db2.gz IIFWPGGXERWQJS-HUUCEWRRSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc2[nH+]ccn21 ZINC000182076584 165361700 /nfs/dbraw/zinc/36/17/00/165361700.db2.gz IIFWPGGXERWQJS-HUUCEWRRSA-N 2 2 284.407 2.393 10 0 CEAELP CC[NH+](CC)CC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037209801 173031200 /nfs/dbraw/zinc/03/12/00/173031200.db2.gz RJCYOSNGYOPAGR-AWEZNQCLSA-N 3 2 255.450 2.038 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000037220631 173039606 /nfs/dbraw/zinc/03/96/06/173039606.db2.gz RHIYSZDHEPSQCQ-AWEZNQCLSA-N 3 2 269.477 2.427 10 0 CEAELP COC1CC[NH+]([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000037265911 173075116 /nfs/dbraw/zinc/07/51/16/173075116.db2.gz UGKCVNBENYGZTO-GFCCVEGCSA-N 2 2 254.399 2.167 10 0 CEAELP CC[NH+](CC)[C@@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000038827565 174156389 /nfs/dbraw/zinc/15/63/89/174156389.db2.gz NUEKOBYBHPBKBF-LBPRGKRZSA-N 2 2 282.384 2.054 10 0 CEAELP CC[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(O)cc1 ZINC000040638735 174363211 /nfs/dbraw/zinc/36/32/11/174363211.db2.gz ADQVDZZJDQONMR-CQSZACIVSA-N 2 2 259.353 2.409 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000040689103 174376096 /nfs/dbraw/zinc/37/60/96/174376096.db2.gz IIMMKXYHLJMNMX-INIZCTEOSA-N 2 2 262.397 2.496 10 0 CEAELP CCCN(c1cc(C)[nH+]cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748937 174393680 /nfs/dbraw/zinc/39/36/80/174393680.db2.gz UWQIYODJHHDYQZ-PBWFPOADSA-N 2 2 260.385 2.284 10 0 CEAELP C[C@@H](Cc1c(F)cccc1F)[NH2+][C@H]1CCC[NH2+]C1 ZINC000043327205 175008546 /nfs/dbraw/zinc/00/85/46/175008546.db2.gz CSMRMIXTJYFMRS-QWRGUYRKSA-N 2 2 254.324 2.237 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)C1CCOCC1 ZINC000043335324 175010985 /nfs/dbraw/zinc/01/09/85/175010985.db2.gz IONNMBRBOIJUHZ-TZMCWYRMSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)C1CCOCC1 ZINC000043335324 175010986 /nfs/dbraw/zinc/01/09/86/175010986.db2.gz IONNMBRBOIJUHZ-TZMCWYRMSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](C)CCc1ccncc1 ZINC000043339607 175013797 /nfs/dbraw/zinc/01/37/97/175013797.db2.gz KEQBVOUPOINHEH-NVXWUHKLSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](C)CCc1ccncc1 ZINC000043339607 175013798 /nfs/dbraw/zinc/01/37/98/175013798.db2.gz KEQBVOUPOINHEH-NVXWUHKLSA-N 2 2 284.407 2.430 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348304 175018595 /nfs/dbraw/zinc/01/85/95/175018595.db2.gz ABNDCHLLZPWCMG-CVEARBPZSA-N 2 2 279.428 2.343 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](c1cccnc1)[C@H]([NH3+])CC ZINC000043348304 175018597 /nfs/dbraw/zinc/01/85/97/175018597.db2.gz ABNDCHLLZPWCMG-CVEARBPZSA-N 2 2 279.428 2.343 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccncc2)[C@H]([NH3+])CC)CC1 ZINC000043353918 175020752 /nfs/dbraw/zinc/02/07/52/175020752.db2.gz PPTDEYGQGTXSEL-CVEARBPZSA-N 2 2 277.412 2.361 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)CCc1ccncc1 ZINC000043353856 175020764 /nfs/dbraw/zinc/02/07/64/175020764.db2.gz KICKBWAONRRCPW-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)CCc1ccncc1 ZINC000043353856 175020766 /nfs/dbraw/zinc/02/07/66/175020766.db2.gz KICKBWAONRRCPW-CZUORRHYSA-N 2 2 270.380 2.039 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043353369 175021085 /nfs/dbraw/zinc/02/10/85/175021085.db2.gz OFTGXNZPFPXGCQ-RDBSUJKOSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccncc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043353369 175021086 /nfs/dbraw/zinc/02/10/86/175021086.db2.gz OFTGXNZPFPXGCQ-RDBSUJKOSA-N 2 2 265.426 2.297 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@@H](C[NH3+])c1ccncc1 ZINC000043354917 175022965 /nfs/dbraw/zinc/02/29/65/175022965.db2.gz VSQZLDGCWMKPGS-HNNXBMFYSA-N 2 2 252.321 2.288 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@H+](CC)CC(C)C)OCCO2 ZINC000043888209 175117516 /nfs/dbraw/zinc/11/75/16/175117516.db2.gz HJFQQAVGELMTDO-CABCVRRESA-N 2 2 284.444 2.238 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+](CC)CC(C)C)OCCO2 ZINC000043888209 175117517 /nfs/dbraw/zinc/11/75/17/175117517.db2.gz HJFQQAVGELMTDO-CABCVRRESA-N 2 2 284.444 2.238 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043970164 175131129 /nfs/dbraw/zinc/13/11/29/175131129.db2.gz LUIOIRRKZJNHKE-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043970164 175131130 /nfs/dbraw/zinc/13/11/30/175131130.db2.gz LUIOIRRKZJNHKE-HUUCEWRRSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](CCOC)C1CC1 ZINC000043969743 175131133 /nfs/dbraw/zinc/13/11/33/175131133.db2.gz XLSKOIKUTDUIIJ-CXAGYDPISA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](CCOC)C1CC1 ZINC000043969743 175131134 /nfs/dbraw/zinc/13/11/34/175131134.db2.gz XLSKOIKUTDUIIJ-CXAGYDPISA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@H+](CCCOC)CCOC ZINC000043970843 175132146 /nfs/dbraw/zinc/13/21/46/175132146.db2.gz OUOZMMYDXKSHIH-DOTOQJQBSA-N 2 2 294.439 2.321 10 0 CEAELP C[NH2+][C@@H](c1ccccc1)[C@H](C)[N@@H+](CCCOC)CCOC ZINC000043970843 175132147 /nfs/dbraw/zinc/13/21/47/175132147.db2.gz OUOZMMYDXKSHIH-DOTOQJQBSA-N 2 2 294.439 2.321 10 0 CEAELP Oc1ccc2c(c1)CCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000044747496 175243297 /nfs/dbraw/zinc/24/32/97/175243297.db2.gz AORNOAYLLOXKTI-HNNXBMFYSA-N 2 2 257.337 2.256 10 0 CEAELP C[C@@H](C[NH2+][C@H]1CCCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000044992703 175286763 /nfs/dbraw/zinc/28/67/63/175286763.db2.gz YZCFOFUFYYCLQL-KKUMJFAQSA-N 2 2 254.418 2.144 10 0 CEAELP C[N@H+](CC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCCC1 ZINC000045272023 175343091 /nfs/dbraw/zinc/34/30/91/175343091.db2.gz AOJXHUFLAQOXAD-MRXNPFEDSA-N 2 2 281.444 2.027 10 0 CEAELP C[N@@H+](CC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCCC1 ZINC000045272023 175343092 /nfs/dbraw/zinc/34/30/92/175343092.db2.gz AOJXHUFLAQOXAD-MRXNPFEDSA-N 2 2 281.444 2.027 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376177 175366543 /nfs/dbraw/zinc/36/65/43/175366543.db2.gz QPDWBMJZQGYBAC-BBRMVZONSA-N 2 2 282.428 2.325 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+]1CCCC[C@@H]1C)[NH2+]C1CC1 ZINC000045376177 175366544 /nfs/dbraw/zinc/36/65/44/175366544.db2.gz QPDWBMJZQGYBAC-BBRMVZONSA-N 2 2 282.428 2.325 10 0 CEAELP CCC[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045382246 175370880 /nfs/dbraw/zinc/37/08/80/175370880.db2.gz USFQCVPOEBBIGB-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045382246 175370882 /nfs/dbraw/zinc/37/08/82/175370882.db2.gz USFQCVPOEBBIGB-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+](CC)C1CC1)[NH2+]C1CC1 ZINC000045386621 175373048 /nfs/dbraw/zinc/37/30/48/175373048.db2.gz BGXMSTCENYEQCP-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+](CC)C1CC1)[NH2+]C1CC1 ZINC000045386621 175373050 /nfs/dbraw/zinc/37/30/50/175373050.db2.gz BGXMSTCENYEQCP-MRXNPFEDSA-N 2 2 282.428 2.325 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)C1 ZINC000071123873 176034948 /nfs/dbraw/zinc/03/49/48/176034948.db2.gz AOMDKCXZKWZDIT-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000071123873 176034950 /nfs/dbraw/zinc/03/49/50/176034950.db2.gz AOMDKCXZKWZDIT-HIFRSBDPSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122567 176035257 /nfs/dbraw/zinc/03/52/57/176035257.db2.gz ZEAMSEUYUQTBOH-LXTVHRRPSA-N 2 2 254.418 2.393 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000071122567 176035258 /nfs/dbraw/zinc/03/52/58/176035258.db2.gz ZEAMSEUYUQTBOH-LXTVHRRPSA-N 2 2 254.418 2.393 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125781 176035694 /nfs/dbraw/zinc/03/56/94/176035694.db2.gz LCLMWGYXFMJEEU-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@H](CC)C1 ZINC000071125781 176035696 /nfs/dbraw/zinc/03/56/96/176035696.db2.gz LCLMWGYXFMJEEU-GOEBONIOSA-N 2 2 282.428 2.184 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147535 176043167 /nfs/dbraw/zinc/04/31/67/176043167.db2.gz LAIVGVIWRWUIIA-ZDUSSCGKSA-N 2 2 286.379 2.086 10 0 CEAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000071147535 176043168 /nfs/dbraw/zinc/04/31/68/176043168.db2.gz LAIVGVIWRWUIIA-ZDUSSCGKSA-N 2 2 286.379 2.086 10 0 CEAELP C[C@H](C[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)c1ccccc1 ZINC000071191227 176069952 /nfs/dbraw/zinc/06/99/52/176069952.db2.gz VFKPPYPQJQBOPR-HUUCEWRRSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)c1ccccc1 ZINC000071191227 176069954 /nfs/dbraw/zinc/06/99/54/176069954.db2.gz VFKPPYPQJQBOPR-HUUCEWRRSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@H](C[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccccc1 ZINC000071191227 176069956 /nfs/dbraw/zinc/06/99/56/176069956.db2.gz VFKPPYPQJQBOPR-HUUCEWRRSA-N 2 2 274.408 2.389 10 0 CEAELP C[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1 ZINC000071191227 176069958 /nfs/dbraw/zinc/06/99/58/176069958.db2.gz VFKPPYPQJQBOPR-HUUCEWRRSA-N 2 2 274.408 2.389 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000071198340 176077156 /nfs/dbraw/zinc/07/71/56/176077156.db2.gz KNIHYUVIRSHNKM-OAHLLOKOSA-N 2 2 250.361 2.442 10 0 CEAELP CC[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000071198340 176077157 /nfs/dbraw/zinc/07/71/57/176077157.db2.gz KNIHYUVIRSHNKM-OAHLLOKOSA-N 2 2 250.361 2.442 10 0 CEAELP CC[C@@H]1CN(CCn2cc[nH+]c2C)C(CC)(CC)C[NH2+]1 ZINC000071345087 176131624 /nfs/dbraw/zinc/13/16/24/176131624.db2.gz HGOAMDBUKCJARD-OAHLLOKOSA-N 2 2 278.444 2.434 10 0 CEAELP COc1cccc(C2CC([NH2+]Cc3c[nH+]c[nH]3)C2)c1 ZINC000078640680 177364538 /nfs/dbraw/zinc/36/45/38/177364538.db2.gz MXAZSBWTKUBMDF-UHFFFAOYSA-N 2 2 257.337 2.454 10 0 CEAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412323 274244330 /nfs/dbraw/zinc/24/43/30/274244330.db2.gz UKNDUZSHAZJHDC-NVXWUHKLSA-N 3 2 287.451 2.239 10 0 CEAELP CC(C)n1cc[nH+]c1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000335301430 276086385 /nfs/dbraw/zinc/08/63/85/276086385.db2.gz NAAGAQGTVONOEL-AWEZNQCLSA-N 2 2 270.380 2.354 10 0 CEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000245956488 280268438 /nfs/dbraw/zinc/26/84/38/280268438.db2.gz CQXZCCDIHOITSN-GJZGRUSLSA-N 2 2 284.407 2.393 10 0 CEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c2ccccn12 ZINC000245956488 280268439 /nfs/dbraw/zinc/26/84/39/280268439.db2.gz CQXZCCDIHOITSN-GJZGRUSLSA-N 2 2 284.407 2.393 10 0 CEAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccc2c(c1)OCO2 ZINC000396633487 280675070 /nfs/dbraw/zinc/67/50/70/280675070.db2.gz MPMMBDKANNIIDD-LOWVWBTDSA-N 2 2 262.353 2.206 10 0 CEAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@H+](CCCOC)CCOC ZINC000052543207 522544472 /nfs/dbraw/zinc/54/44/72/522544472.db2.gz PGUGVAMBMPXJRI-AWEZNQCLSA-N 2 2 274.449 2.138 10 0 CEAELP CC[C@@H](C[NH2+]C(C)(C)C)[N@@H+](CCCOC)CCOC ZINC000052543207 522544487 /nfs/dbraw/zinc/54/44/87/522544487.db2.gz PGUGVAMBMPXJRI-AWEZNQCLSA-N 2 2 274.449 2.138 10 0 CEAELP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCN(c2ccccn2)CC1 ZINC000052418637 519744080 /nfs/dbraw/zinc/74/40/80/519744080.db2.gz MTSUDVCUHMRFQI-MRXNPFEDSA-N 2 2 290.455 2.228 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419963 519744142 /nfs/dbraw/zinc/74/41/42/519744142.db2.gz QBXZZKPBKOFVPR-AWEZNQCLSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419963 519744143 /nfs/dbraw/zinc/74/41/43/519744143.db2.gz QBXZZKPBKOFVPR-AWEZNQCLSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[NH2+]C[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000052418581 519744582 /nfs/dbraw/zinc/74/45/82/519744582.db2.gz LXQVVVARQLEAIM-MRXNPFEDSA-N 2 2 290.455 2.085 10 0 CEAELP CC(C)[C@@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@H](C)C[NH2+]1 ZINC000068694972 519804722 /nfs/dbraw/zinc/80/47/22/519804722.db2.gz RLLXJFWGQWXCGV-ZFWWWQNUSA-N 2 2 272.396 2.153 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000061148370 519908107 /nfs/dbraw/zinc/90/81/07/519908107.db2.gz VWLMPUYSRKRBKK-HNSVSWJLSA-N 2 2 266.429 2.408 10 0 CEAELP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC000061148370 519908112 /nfs/dbraw/zinc/90/81/12/519908112.db2.gz VWLMPUYSRKRBKK-HNSVSWJLSA-N 2 2 266.429 2.408 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C)n1 ZINC000054628763 519908607 /nfs/dbraw/zinc/90/86/07/519908607.db2.gz MWRXWZOKPJIUHS-MQVJKMGUSA-N 2 2 274.412 2.280 10 0 CEAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(C)n1 ZINC000054628763 519908611 /nfs/dbraw/zinc/90/86/11/519908611.db2.gz MWRXWZOKPJIUHS-MQVJKMGUSA-N 2 2 274.412 2.280 10 0 CEAELP CC[NH2+]CC[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417248 519927850 /nfs/dbraw/zinc/92/78/50/519927850.db2.gz OHQVSPKQFCREKH-ZDUSSCGKSA-N 2 2 292.423 2.450 10 0 CEAELP CC[NH2+]CC[C@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417248 519927856 /nfs/dbraw/zinc/92/78/56/519927856.db2.gz OHQVSPKQFCREKH-ZDUSSCGKSA-N 2 2 292.423 2.450 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@@H](C)[NH+]1Cc2ccccc2C1)C(N)=O ZINC000068641966 520040692 /nfs/dbraw/zinc/04/06/92/520040692.db2.gz LOLZMQKLYYXBNK-DYVFJYSZSA-N 2 2 289.423 2.024 10 0 CEAELP CCC[NH2+][C@@](C)(C[C@H](C)n1c[nH+]c(C)c1C)C(=O)OC ZINC000068650054 520047527 /nfs/dbraw/zinc/04/75/27/520047527.db2.gz GRGIZDGEALUWFT-NHYWBVRUSA-N 2 2 281.400 2.382 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053012716 520609862 /nfs/dbraw/zinc/60/98/62/520609862.db2.gz TVYBGARONPCOSP-HNNXBMFYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053012716 520609867 /nfs/dbraw/zinc/60/98/67/520609867.db2.gz TVYBGARONPCOSP-HNNXBMFYSA-N 3 2 255.450 2.038 10 0 CEAELP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000061362251 520723146 /nfs/dbraw/zinc/72/31/46/520723146.db2.gz VBXVYHCYIBFXHH-JSGCOSHPSA-N 2 2 282.453 2.418 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C[NH+](C)C)C(C)C)C1 ZINC000049197548 521627277 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ZINC000068648177 524852574 /nfs/dbraw/zinc/85/25/74/524852574.db2.gz QTUVMKMWVRQRFA-HEHGZKQESA-N 2 2 283.460 2.116 10 0 CEAELP C[C@@H](C[C@@](C)([NH3+])C(N)=O)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000068648177 524852581 /nfs/dbraw/zinc/85/25/81/524852581.db2.gz QTUVMKMWVRQRFA-HEHGZKQESA-N 2 2 283.460 2.116 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCC1 ZINC000068621143 524863820 /nfs/dbraw/zinc/86/38/20/524863820.db2.gz ZZLQFZDRJXYHAA-LRDDRELGSA-N 2 2 281.444 2.026 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCC1 ZINC000068621143 524863833 /nfs/dbraw/zinc/86/38/33/524863833.db2.gz ZZLQFZDRJXYHAA-LRDDRELGSA-N 2 2 281.444 2.026 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1C ZINC000050596694 525179606 /nfs/dbraw/zinc/17/96/06/525179606.db2.gz OJAYQSORYAOAIS-OAHLLOKOSA-N 2 2 278.396 2.114 10 0 CEAELP COc1ccc([C@@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1C ZINC000050596694 525179613 /nfs/dbraw/zinc/17/96/13/525179613.db2.gz OJAYQSORYAOAIS-OAHLLOKOSA-N 2 2 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YYUBHWHXVPDWSJ-MRXNPFEDSA-N 2 2 274.408 2.245 10 0 CEAELP c1ccc([C@@H]2CC[N@H+](CC[NH2+]C3CCOCC3)C2)cc1 ZINC000062767726 526492649 /nfs/dbraw/zinc/49/26/49/526492649.db2.gz YYUBHWHXVPDWSJ-MRXNPFEDSA-N 2 2 274.408 2.245 10 0 CEAELP Cc1[nH]c(C[NH2+][C@@H](C)c2nc3ccccc3[nH]2)c[nH+]1 ZINC000054822635 526892195 /nfs/dbraw/zinc/89/21/95/526892195.db2.gz RENBELXNXJPVRB-VIFPVBQESA-N 2 2 255.325 2.445 10 0 CEAELP Cc1[nH]c(C[NH2+][C@H](C)c2nc3ccccc3[nH]2)c[nH+]1 ZINC000054822636 526894327 /nfs/dbraw/zinc/89/43/27/526894327.db2.gz RENBELXNXJPVRB-SECBINFHSA-N 2 2 255.325 2.445 10 0 CEAELP [NH3+]Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000050910510 527256149 /nfs/dbraw/zinc/25/61/49/527256149.db2.gz UNLZGEGDMYSCND-UHFFFAOYSA-N 2 2 281.359 2.100 10 0 CEAELP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714615 625281593 /nfs/dbraw/zinc/28/15/93/625281593.db2.gz KHGUPRLPGWPTBJ-SFHVURJKSA-N 3 2 287.451 2.240 10 0 CEAELP C[C@@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309714615 625281598 /nfs/dbraw/zinc/28/15/98/625281598.db2.gz KHGUPRLPGWPTBJ-SFHVURJKSA-N 3 2 287.451 2.240 10 0 CEAELP OCC[NH+]1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000399077701 628773653 /nfs/dbraw/zinc/77/36/53/628773653.db2.gz QLYCUQKREBPOMM-AWEZNQCLSA-N 2 2 280.437 2.172 10 0 CEAELP C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC000567640452 299070326 /nfs/dbraw/zinc/07/03/26/299070326.db2.gz JPJSXWWJKGTOEG-RDJZCZTQSA-N 2 2 298.434 2.409 10 0 CEAELP C[C@@]1(c2c[nH+]cn2CCc2cccs2)CC[NH2+]C1 ZINC000097011661 185151768 /nfs/dbraw/zinc/15/17/68/185151768.db2.gz PQUQLPLNZIQQMM-CQSZACIVSA-N 2 2 261.394 2.438 10 0 CEAELP c1ccc2c(c1)cc[nH+]c2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000082765846 539358504 /nfs/dbraw/zinc/35/85/04/539358504.db2.gz GUNFEVVOYGFOKV-MRXNPFEDSA-N 2 2 253.349 2.425 10 0 CEAELP C[C@H]([NH3+])c1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000142040699 344402074 /nfs/dbraw/zinc/40/20/74/344402074.db2.gz JPGPCGOYZUKYND-ZDUSSCGKSA-N 3 2 261.413 2.232 10 0 CEAELP 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/nfs/dbraw/zinc/11/33/08/179113308.db2.gz KHGXWYPJDMTMNE-ZIAGYGMSSA-N 2 2 277.412 2.290 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292719 179266044 /nfs/dbraw/zinc/26/60/44/179266044.db2.gz GYVMJGHJUYNJER-FZMZJTMJSA-N 2 2 251.374 2.193 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2cc(C)no2)CCC[NH2+]1 ZINC000086292719 179266046 /nfs/dbraw/zinc/26/60/46/179266046.db2.gz GYVMJGHJUYNJER-FZMZJTMJSA-N 2 2 251.374 2.193 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817426 179344401 /nfs/dbraw/zinc/34/44/01/179344401.db2.gz ZFFULUFZEJUXAG-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP CC(C)[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+]1CCCC1 ZINC000086817426 179344403 /nfs/dbraw/zinc/34/44/03/179344403.db2.gz ZFFULUFZEJUXAG-CVEARBPZSA-N 3 2 267.461 2.181 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817434 179344843 /nfs/dbraw/zinc/34/48/43/179344843.db2.gz AAABTIGNWLUIFL-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000086817434 179344844 /nfs/dbraw/zinc/34/48/44/179344844.db2.gz AAABTIGNWLUIFL-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000086839670 179352135 /nfs/dbraw/zinc/35/21/35/179352135.db2.gz LAJIWKIICCAJBZ-XHSDSOJGSA-N 3 2 276.428 2.441 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000086839670 179352136 /nfs/dbraw/zinc/35/21/36/179352136.db2.gz LAJIWKIICCAJBZ-XHSDSOJGSA-N 3 2 276.428 2.441 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851390 179359504 /nfs/dbraw/zinc/35/95/04/179359504.db2.gz AEDPJNQWRJDSOB-ZDUSSCGKSA-N 2 2 253.415 2.372 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH2+]C)(c2nc(C)cs2)CC1 ZINC000086851390 179359506 /nfs/dbraw/zinc/35/95/06/179359506.db2.gz AEDPJNQWRJDSOB-ZDUSSCGKSA-N 2 2 253.415 2.372 10 0 CEAELP CC(C)c1nc([C@]2([NH3+])CCC[N@@H+](C(C)C)CC2)no1 ZINC000086851749 179359113 /nfs/dbraw/zinc/35/91/13/179359113.db2.gz QXFWRCCFDLBXCM-AWEZNQCLSA-N 2 2 266.389 2.241 10 0 CEAELP CC(C)c1nc([C@]2([NH3+])CCC[N@H+](C(C)C)CC2)no1 ZINC000086851749 179359116 /nfs/dbraw/zinc/35/91/16/179359116.db2.gz QXFWRCCFDLBXCM-AWEZNQCLSA-N 2 2 266.389 2.241 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CC[C@@H](c3ccccc3)C2)CCCOCC1 ZINC000086875616 179365189 /nfs/dbraw/zinc/36/51/89/179365189.db2.gz AZSAOKNZHLXQLX-IAGOWNOFSA-N 2 2 274.408 2.374 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CC[C@@H](c3ccccc3)C2)CCCOCC1 ZINC000086875616 179365191 /nfs/dbraw/zinc/36/51/91/179365191.db2.gz AZSAOKNZHLXQLX-IAGOWNOFSA-N 2 2 274.408 2.374 10 0 CEAELP CC1CCC([N@H+](C)[C@@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875221 179365677 /nfs/dbraw/zinc/36/56/77/179365677.db2.gz CXFYLGBJQLEKJN-NRXISQOPSA-N 2 2 254.418 2.395 10 0 CEAELP CC1CCC([N@@H+](C)[C@@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875221 179365679 /nfs/dbraw/zinc/36/56/79/179365679.db2.gz CXFYLGBJQLEKJN-NRXISQOPSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000086890999 179365945 /nfs/dbraw/zinc/36/59/45/179365945.db2.gz ZDGATUOGTVJJNU-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000086890999 179365947 /nfs/dbraw/zinc/36/59/47/179365947.db2.gz ZDGATUOGTVJJNU-UKRRQHHQSA-N 2 2 264.417 2.150 10 0 CEAELP COC1CC[NH+]([C@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890604 179366183 /nfs/dbraw/zinc/36/61/83/179366183.db2.gz RQBUOBZCUDSSAA-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891005 179366415 /nfs/dbraw/zinc/36/64/15/179366415.db2.gz ZDGATUOGTVJJNU-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000086891005 179366416 /nfs/dbraw/zinc/36/64/16/179366416.db2.gz ZDGATUOGTVJJNU-ZFWWWQNUSA-N 2 2 264.417 2.150 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccnc3ccccc32)C1 ZINC000616621573 348537453 /nfs/dbraw/zinc/53/74/53/348537453.db2.gz SSJKIXHPPKVVAZ-ZDUSSCGKSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccnc3ccccc32)C1 ZINC000616621573 348537456 /nfs/dbraw/zinc/53/74/56/348537456.db2.gz SSJKIXHPPKVVAZ-ZDUSSCGKSA-N 2 2 255.365 2.373 10 0 CEAELP Nc1[nH+]cccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616668962 348555098 /nfs/dbraw/zinc/55/50/98/348555098.db2.gz LVXYZKSTPPKFQZ-OAHLLOKOSA-N 2 2 268.364 2.116 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1CCO ZINC000616680171 348558964 /nfs/dbraw/zinc/55/89/64/348558964.db2.gz MLQCCCWKRWTBNN-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1CCO ZINC000616680171 348558965 /nfs/dbraw/zinc/55/89/65/348558965.db2.gz MLQCCCWKRWTBNN-IBGZPJMESA-N 2 2 296.414 2.128 10 0 CEAELP COc1cccc(Cl)c1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400712782 233181336 /nfs/dbraw/zinc/18/13/36/233181336.db2.gz DVSANVXTLQVXSD-QWRGUYRKSA-N 2 2 268.788 2.436 10 0 CEAELP CCC[NH2+]Cc1c[nH+]c(C)n1Cc1cc(CC)nn1C ZINC000089207590 179754062 /nfs/dbraw/zinc/75/40/62/179754062.db2.gz SOHSVLHLNYBGGE-UHFFFAOYSA-N 2 2 275.400 2.035 10 0 CEAELP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693304 180025417 /nfs/dbraw/zinc/02/54/17/180025417.db2.gz IPCVQWFEAZRORJ-CABCVRRESA-N 2 2 289.423 2.478 10 0 CEAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693304 180025420 /nfs/dbraw/zinc/02/54/20/180025420.db2.gz IPCVQWFEAZRORJ-CABCVRRESA-N 2 2 289.423 2.478 10 0 CEAELP COC(=O)c1cc(NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc[nH+]1 ZINC000090737359 180033969 /nfs/dbraw/zinc/03/39/69/180033969.db2.gz PRNYQAVRYVTZRC-QXMXGUDHSA-N 2 2 289.379 2.153 10 0 CEAELP COC(=O)c1cc(NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc[nH+]1 ZINC000090737359 180033971 /nfs/dbraw/zinc/03/39/71/180033971.db2.gz PRNYQAVRYVTZRC-QXMXGUDHSA-N 2 2 289.379 2.153 10 0 CEAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892556 180054921 /nfs/dbraw/zinc/05/49/21/180054921.db2.gz CUVLPKPJNLBXOF-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892556 180054923 /nfs/dbraw/zinc/05/49/23/180054923.db2.gz CUVLPKPJNLBXOF-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893503 180055012 /nfs/dbraw/zinc/05/50/12/180055012.db2.gz SFHRANPHRXXLLH-AWEZNQCLSA-N 2 2 266.360 2.190 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893503 180055016 /nfs/dbraw/zinc/05/50/16/180055016.db2.gz SFHRANPHRXXLLH-AWEZNQCLSA-N 2 2 266.360 2.190 10 0 CEAELP Fc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090894277 180055718 /nfs/dbraw/zinc/05/57/18/180055718.db2.gz GNAIAYOOEONHOQ-OWCLPIDISA-N 2 2 290.382 2.346 10 0 CEAELP Fc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)O2 ZINC000090894277 180055721 /nfs/dbraw/zinc/05/57/21/180055721.db2.gz GNAIAYOOEONHOQ-OWCLPIDISA-N 2 2 290.382 2.346 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090904446 180059975 /nfs/dbraw/zinc/05/99/75/180059975.db2.gz SMUVMKYKYJHDGK-CYBMUJFWSA-N 2 2 291.782 2.209 10 0 CEAELP C[NH2+]C[C@](C)(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907501 180062343 /nfs/dbraw/zinc/06/23/43/180062343.db2.gz YXZFTQIVUNVWLS-IXDOHACOSA-N 2 2 274.408 2.027 10 0 CEAELP C[NH2+]C[C@](C)(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090907501 180062345 /nfs/dbraw/zinc/06/23/45/180062345.db2.gz YXZFTQIVUNVWLS-IXDOHACOSA-N 2 2 274.408 2.027 10 0 CEAELP C[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907522 180062388 /nfs/dbraw/zinc/06/23/88/180062388.db2.gz PLDZMMIDPONMGE-OKILXGFUSA-N 2 2 252.402 2.020 10 0 CEAELP C[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCCC1 ZINC000090907522 180062390 /nfs/dbraw/zinc/06/23/90/180062390.db2.gz PLDZMMIDPONMGE-OKILXGFUSA-N 2 2 252.402 2.020 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1c[nH]c2ncccc12 ZINC000091017594 180087262 /nfs/dbraw/zinc/08/72/62/180087262.db2.gz YEVYPQZXRQPYRD-LBPRGKRZSA-N 2 2 258.369 2.137 10 0 CEAELP Cc1cc2[nH]c(C[C@@H]3CSCC[NH2+]3)[nH+]c2cc1C ZINC000091128646 180100370 /nfs/dbraw/zinc/10/03/70/180100370.db2.gz SMIHNWMRBIAPTG-LLVKDONJSA-N 2 2 261.394 2.427 10 0 CEAELP CCC1(CC)CC[NH+]([C@H](C[NH3+])CC(=O)NC(C)C)CC1 ZINC000091318722 180133902 /nfs/dbraw/zinc/13/39/02/180133902.db2.gz VPWREGMPRXKDIK-AWEZNQCLSA-N 2 2 283.460 2.131 10 0 CEAELP CCNC(=O)C[C@H](C[NH3+])[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316435 180133946 /nfs/dbraw/zinc/13/39/46/180133946.db2.gz WCTCUUKAQDXTCX-SMDDNHRTSA-N 2 2 297.830 2.186 10 0 CEAELP CCNC(=O)C[C@H](C[NH3+])[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000091316435 180133948 /nfs/dbraw/zinc/13/39/48/180133948.db2.gz WCTCUUKAQDXTCX-SMDDNHRTSA-N 2 2 297.830 2.186 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@H+](CC)Cc1cccs1 ZINC000091322768 180134474 /nfs/dbraw/zinc/13/44/74/180134474.db2.gz OOJCQUQOBKNRBI-ZDUSSCGKSA-N 2 2 297.468 2.156 10 0 CEAELP CCN(CC)C(=O)C[C@@H](C[NH3+])[N@@H+](CC)Cc1cccs1 ZINC000091322768 180134475 /nfs/dbraw/zinc/13/44/75/180134475.db2.gz OOJCQUQOBKNRBI-ZDUSSCGKSA-N 2 2 297.468 2.156 10 0 CEAELP CCCC1CC[NH+]([C@H](C[NH3+])CC(=O)N2CCCCC2)CC1 ZINC000091325397 180135286 /nfs/dbraw/zinc/13/52/86/180135286.db2.gz DUZACZGUSMKRJT-INIZCTEOSA-N 2 2 295.471 2.228 10 0 CEAELP CCCN(Cc1c[nH+]cn1C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000091273024 180118046 /nfs/dbraw/zinc/11/80/46/180118046.db2.gz UZNFGYCSDNNZAS-CQSZACIVSA-N 2 2 264.417 2.428 10 0 CEAELP CC(C)N1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275596 180119248 /nfs/dbraw/zinc/11/92/48/180119248.db2.gz VSSMVMGRYIVVJY-IUODEOHRSA-N 2 2 276.384 2.007 10 0 CEAELP CN(CC1CCCC1)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276565 180119596 /nfs/dbraw/zinc/11/95/96/180119596.db2.gz UVQUMFFCUCDSFA-AWEZNQCLSA-N 2 2 262.401 2.340 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)[N@H+](C)CC1CC(O)C1 ZINC000091450860 180158720 /nfs/dbraw/zinc/15/87/20/180158720.db2.gz JOUOJFUBRJUGDU-KNHPQMQCSA-N 2 2 292.423 2.176 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)[N@@H+](C)CC1CC(O)C1 ZINC000091450860 180158721 /nfs/dbraw/zinc/15/87/21/180158721.db2.gz JOUOJFUBRJUGDU-KNHPQMQCSA-N 2 2 292.423 2.176 10 0 CEAELP C[C@H]([NH3+])C(C)(C)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000091403172 180146931 /nfs/dbraw/zinc/14/69/31/180146931.db2.gz QFRJSTHRCSTDQN-AWEZNQCLSA-N 3 2 267.461 2.310 10 0 CEAELP CC[NH2+][C@H](Cc1cnn(C)c1)[C@](C)(CC)[NH+](CC)CC ZINC000091600389 180202172 /nfs/dbraw/zinc/20/21/72/180202172.db2.gz BONVNAJPKMRFII-CVEARBPZSA-N 2 2 280.460 2.451 10 0 CEAELP CC[NH+](CC)C1(C(=O)Cc2ccc[nH+]c2N)CCCC1 ZINC000091638655 180212625 /nfs/dbraw/zinc/21/26/25/180212625.db2.gz TWMMSORWXIYYCP-UHFFFAOYSA-N 2 2 275.396 2.430 10 0 CEAELP C[NH2+][C@H](Cc1cc[nH+]c(N)c1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649073 180216481 /nfs/dbraw/zinc/21/64/81/180216481.db2.gz HPUYFDJBWAQQOW-GNHJJJEISA-N 3 2 290.455 2.305 10 0 CEAELP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@@H]1C[N@H+](C)CCO1 ZINC000091680003 180226032 /nfs/dbraw/zinc/22/60/32/180226032.db2.gz XHMRCCYTOCTRGL-ZDUSSCGKSA-N 2 2 288.395 2.073 10 0 CEAELP CC(C)c1[nH+]c2cc(N)ccc2n1C[C@@H]1C[N@@H+](C)CCO1 ZINC000091680003 180226033 /nfs/dbraw/zinc/22/60/33/180226033.db2.gz XHMRCCYTOCTRGL-ZDUSSCGKSA-N 2 2 288.395 2.073 10 0 CEAELP CCC[NH2+][C@H](Cc1cccc(F)c1F)C[NH+](C)C ZINC000091719897 180234575 /nfs/dbraw/zinc/23/45/75/180234575.db2.gz JOQCNCZGWYYXJR-GFCCVEGCSA-N 2 2 256.340 2.437 10 0 CEAELP CCC[NH2+][C@@H](Cc1cc(C)ccc1OC)C[NH+](C)C ZINC000091719878 180234599 /nfs/dbraw/zinc/23/45/99/180234599.db2.gz ILXGQBKJIBRJPS-HNNXBMFYSA-N 2 2 264.413 2.476 10 0 CEAELP [NH3+][C@H](c1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720243 180235120 /nfs/dbraw/zinc/23/51/20/180235120.db2.gz WZZISRHUJLNSSQ-DDTOSNHZSA-N 2 2 266.772 2.203 10 0 CEAELP [NH3+][C@H](c1ccccc1Cl)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720243 180235122 /nfs/dbraw/zinc/23/51/22/180235122.db2.gz WZZISRHUJLNSSQ-DDTOSNHZSA-N 2 2 266.772 2.203 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720958 180235403 /nfs/dbraw/zinc/23/54/03/180235403.db2.gz PVCLJSMIEKBRAV-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP C[NH2+][C@H](c1ccc(F)c(C)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720958 180235407 /nfs/dbraw/zinc/23/54/07/180235407.db2.gz PVCLJSMIEKBRAV-VNQPRFMTSA-N 2 2 278.371 2.258 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721350 180238221 /nfs/dbraw/zinc/23/82/21/180238221.db2.gz VVBABIFKLHBWCT-ZACQAIPSSA-N 2 2 274.408 2.373 10 0 CEAELP CCc1ccc([C@H]([NH2+]C)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000091721350 180238223 /nfs/dbraw/zinc/23/82/23/180238223.db2.gz VVBABIFKLHBWCT-ZACQAIPSSA-N 2 2 274.408 2.373 10 0 CEAELP CCC[NH2+][C@H](c1cnccc1C)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722271 180240105 /nfs/dbraw/zinc/24/01/05/180240105.db2.gz FVWULVYWGZISHN-DJIMGWMZSA-N 2 2 289.423 2.294 10 0 CEAELP CCC[NH2+][C@H](c1cnccc1C)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722271 180240107 /nfs/dbraw/zinc/24/01/07/180240107.db2.gz FVWULVYWGZISHN-DJIMGWMZSA-N 2 2 289.423 2.294 10 0 CEAELP CCC[NH2+][C@H](c1cncc(F)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091722301 180240236 /nfs/dbraw/zinc/24/02/36/180240236.db2.gz HBIMKNOJHSPPFA-OWCLPIDISA-N 2 2 293.386 2.125 10 0 CEAELP CCC[NH2+][C@H](c1cncc(F)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091722301 180240238 /nfs/dbraw/zinc/24/02/38/180240238.db2.gz HBIMKNOJHSPPFA-OWCLPIDISA-N 2 2 293.386 2.125 10 0 CEAELP C[N@@H+]1CCO[C@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723171 180242386 /nfs/dbraw/zinc/24/23/86/180242386.db2.gz URRCCMPMZCOJNO-NSHDSACASA-N 2 2 269.414 2.034 10 0 CEAELP C[N@H+]1CCO[C@H](c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000091723171 180242391 /nfs/dbraw/zinc/24/23/91/180242391.db2.gz URRCCMPMZCOJNO-NSHDSACASA-N 2 2 269.414 2.034 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052216 180312758 /nfs/dbraw/zinc/31/27/58/180312758.db2.gz BMPFWYMZBGQMPI-MRXNPFEDSA-N 2 2 276.424 2.275 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]CC(C)(C)c2ccccc2)C1 ZINC000092052216 180312759 /nfs/dbraw/zinc/31/27/59/180312759.db2.gz BMPFWYMZBGQMPI-MRXNPFEDSA-N 2 2 276.424 2.275 10 0 CEAELP CCNc1cccc(CN2CC[C@@H]([NH+](CC)CC)C2)[nH+]1 ZINC000092370592 180369739 /nfs/dbraw/zinc/36/97/39/180369739.db2.gz LSBZJHOGGJFZLF-OAHLLOKOSA-N 2 2 276.428 2.430 10 0 CEAELP CCc1[nH+]c2ccccc2n1Cc1cccc(NN)[nH+]1 ZINC000092371069 180369952 /nfs/dbraw/zinc/36/99/52/180369952.db2.gz ILPRTZZAHVRGPR-UHFFFAOYSA-N 2 2 267.336 2.328 10 0 CEAELP NNc1cccc(C[N@@H+]2CCCc3ccccc3C2)[nH+]1 ZINC000092370315 180369963 /nfs/dbraw/zinc/36/99/63/180369963.db2.gz MYTOPLSFWOJNQP-UHFFFAOYSA-N 2 2 268.364 2.316 10 0 CEAELP NNc1cccc(C[N@H+]2CCCc3ccccc3C2)[nH+]1 ZINC000092370315 180369964 /nfs/dbraw/zinc/36/99/64/180369964.db2.gz MYTOPLSFWOJNQP-UHFFFAOYSA-N 2 2 268.364 2.316 10 0 CEAELP CCOC(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897836 186085323 /nfs/dbraw/zinc/08/53/23/186085323.db2.gz VEOOILWFKDAMCY-AWEZNQCLSA-N 2 2 293.411 2.426 10 0 CEAELP CCOC(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897836 186085324 /nfs/dbraw/zinc/08/53/24/186085324.db2.gz VEOOILWFKDAMCY-AWEZNQCLSA-N 2 2 293.411 2.426 10 0 CEAELP C[C@@H](c1ccc(F)cc1F)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108644838 186225513 /nfs/dbraw/zinc/22/55/13/186225513.db2.gz LWHFTODETMYJLX-HBNTYKKESA-N 2 2 252.308 2.177 10 0 CEAELP CC[NH2+]C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000109554361 186263004 /nfs/dbraw/zinc/26/30/04/186263004.db2.gz FGBDFNYWJPRFNT-UHFFFAOYSA-N 2 2 278.396 2.278 10 0 CEAELP C[N@H+](CCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110929517 186333168 /nfs/dbraw/zinc/33/31/68/186333168.db2.gz RPWXPFFYFSOGOU-ZDUSSCGKSA-N 2 2 250.411 2.463 10 0 CEAELP C[N@@H+](CCSc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110929517 186333170 /nfs/dbraw/zinc/33/31/70/186333170.db2.gz RPWXPFFYFSOGOU-ZDUSSCGKSA-N 2 2 250.411 2.463 10 0 CEAELP CCCOc1cc(NCC[N@H+](C)CCOC)ccc1[NH3+] ZINC000111055803 186349668 /nfs/dbraw/zinc/34/96/68/186349668.db2.gz MMPNUTSRFPJZBN-UHFFFAOYSA-N 2 2 281.400 2.048 10 0 CEAELP CCCOc1cc(NCC[N@@H+](C)CCOC)ccc1[NH3+] ZINC000111055803 186349669 /nfs/dbraw/zinc/34/96/69/186349669.db2.gz MMPNUTSRFPJZBN-UHFFFAOYSA-N 2 2 281.400 2.048 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158747 186361688 /nfs/dbraw/zinc/36/16/88/186361688.db2.gz OWKZUWACOADUPB-ILXRZTDVSA-N 2 2 254.418 2.252 10 0 CEAELP C[C@@H]1CCC[C@](C[NH3+])([N@@H+](C)C[C@@H]2CCCOC2)C1 ZINC000111158747 186361690 /nfs/dbraw/zinc/36/16/90/186361690.db2.gz OWKZUWACOADUPB-ILXRZTDVSA-N 2 2 254.418 2.252 10 0 CEAELP CC(C)CC[C@@](C)(C[NH3+])[N@H+](C)CC1CCOCC1 ZINC000111159532 186363089 /nfs/dbraw/zinc/36/30/89/186363089.db2.gz GSZIBRXUOKTHMW-HNNXBMFYSA-N 2 2 256.434 2.498 10 0 CEAELP CC(C)CC[C@@](C)(C[NH3+])[N@@H+](C)CC1CCOCC1 ZINC000111159532 186363091 /nfs/dbraw/zinc/36/30/91/186363091.db2.gz GSZIBRXUOKTHMW-HNNXBMFYSA-N 2 2 256.434 2.498 10 0 CEAELP CCOCC[N@H+](CC)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116611 186353490 /nfs/dbraw/zinc/35/34/90/186353490.db2.gz VKQUWXOWVRTRMK-HIFRSBDPSA-N 2 2 250.386 2.433 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000111116611 186353491 /nfs/dbraw/zinc/35/34/91/186353491.db2.gz VKQUWXOWVRTRMK-HIFRSBDPSA-N 2 2 250.386 2.433 10 0 CEAELP CCOCC[N@H+](CC)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000111118555 186354718 /nfs/dbraw/zinc/35/47/18/186354718.db2.gz KLUBEXYPHGMFCD-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP CCOCC[N@@H+](CC)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000111118555 186354719 /nfs/dbraw/zinc/35/47/19/186354719.db2.gz KLUBEXYPHGMFCD-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP C[C@H]([NH3+])Cc1cc(F)ccc1N(C)Cc1[nH+]ccn1C ZINC000111500216 186425071 /nfs/dbraw/zinc/42/50/71/186425071.db2.gz CZZLOUZJFVFBQQ-NSHDSACASA-N 2 2 276.359 2.085 10 0 CEAELP Cc1[nH]c(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)[nH+]c1C ZINC000628180235 350993698 /nfs/dbraw/zinc/99/36/98/350993698.db2.gz HHADIHGZJMYIJZ-RISCZKNCSA-N 2 2 262.401 2.085 10 0 CEAELP Cc1[nH]c(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)[nH+]c1C ZINC000628180235 350993700 /nfs/dbraw/zinc/99/37/00/350993700.db2.gz HHADIHGZJMYIJZ-RISCZKNCSA-N 2 2 262.401 2.085 10 0 CEAELP CCc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070455944 363084678 /nfs/dbraw/zinc/08/46/78/363084678.db2.gz XOYUIWQQNYEFRZ-CYBMUJFWSA-N 2 2 286.354 2.383 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000122955074 187062136 /nfs/dbraw/zinc/06/21/36/187062136.db2.gz LAQQQJMOIGYNKC-CYBMUJFWSA-N 2 2 259.357 2.006 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000122955074 187062137 /nfs/dbraw/zinc/06/21/37/187062137.db2.gz LAQQQJMOIGYNKC-CYBMUJFWSA-N 2 2 259.357 2.006 10 0 CEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000151271068 366634516 /nfs/dbraw/zinc/63/45/16/366634516.db2.gz QHZYRIFLHWIVDE-JSGCOSHPSA-N 2 2 298.377 2.462 10 0 CEAELP Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000151338468 366639873 /nfs/dbraw/zinc/63/98/73/366639873.db2.gz ASMPRWBLUXYQQQ-ZIAGYGMSSA-N 2 2 266.385 2.085 10 0 CEAELP Cc1nnc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000180648327 189268287 /nfs/dbraw/zinc/26/82/87/189268287.db2.gz AUEPHCUASAUQNX-NSHDSACASA-N 2 2 283.335 2.415 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000183180455 189349288 /nfs/dbraw/zinc/34/92/88/189349288.db2.gz OTEFJXSAHRXPCD-MRXNPFEDSA-N 3 2 299.422 2.411 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000183180455 189349289 /nfs/dbraw/zinc/34/92/89/189349289.db2.gz OTEFJXSAHRXPCD-MRXNPFEDSA-N 3 2 299.422 2.411 10 0 CEAELP Cc1cccn2c(CN3C[C@H]4CCC[N@H+]4C[C@H]3C)c[nH+]c12 ZINC000245713012 370862482 /nfs/dbraw/zinc/86/24/82/370862482.db2.gz GHXNWMDFEFMSMH-HUUCEWRRSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cccn2c(CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)c[nH+]c12 ZINC000245713012 370862485 /nfs/dbraw/zinc/86/24/85/370862485.db2.gz GHXNWMDFEFMSMH-HUUCEWRRSA-N 2 2 284.407 2.311 10 0 CEAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135017 370913305 /nfs/dbraw/zinc/91/33/05/370913305.db2.gz AGYHKWFBOPPCNZ-MGPQQGTHSA-N 2 2 284.444 2.425 10 0 CEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)OC(C)(C)C)C1 ZINC000246135017 370913313 /nfs/dbraw/zinc/91/33/13/370913313.db2.gz AGYHKWFBOPPCNZ-MGPQQGTHSA-N 2 2 284.444 2.425 10 0 CEAELP COC[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123403 369105591 /nfs/dbraw/zinc/10/55/91/369105591.db2.gz YVXCKWJKZBNVLI-UONOGXRCSA-N 2 2 263.385 2.098 10 0 CEAELP COC[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000187123403 369105593 /nfs/dbraw/zinc/10/55/93/369105593.db2.gz YVXCKWJKZBNVLI-UONOGXRCSA-N 2 2 263.385 2.098 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](CC)C(=O)OC)C1 ZINC000247147804 371071367 /nfs/dbraw/zinc/07/13/67/371071367.db2.gz LIEZLJZVTJGDOA-QWHCGFSZSA-N 2 2 279.384 2.034 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](CC)C(=O)OC)C1 ZINC000247147804 371071370 /nfs/dbraw/zinc/07/13/70/371071370.db2.gz LIEZLJZVTJGDOA-QWHCGFSZSA-N 2 2 279.384 2.034 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CCCCC2)C1 ZINC000639266362 371166055 /nfs/dbraw/zinc/16/60/55/371166055.db2.gz JOYTVGGTAUUSMS-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CCCCC2)C1 ZINC000639266362 371166056 /nfs/dbraw/zinc/16/60/56/371166056.db2.gz JOYTVGGTAUUSMS-HUUCEWRRSA-N 2 2 254.418 2.266 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c(F)cccc3F)C[C@@H]12 ZINC000261592789 371666567 /nfs/dbraw/zinc/66/65/67/371666567.db2.gz YRABNKUPIYAQEG-GPCCPHFNSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]12 ZINC000261592789 371666574 /nfs/dbraw/zinc/66/65/74/371666574.db2.gz YRABNKUPIYAQEG-GPCCPHFNSA-N 2 2 252.308 2.134 10 0 CEAELP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773779 371728104 /nfs/dbraw/zinc/72/81/04/371728104.db2.gz OWXQMVREUGWJMB-STQMWFEESA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261773779 371728110 /nfs/dbraw/zinc/72/81/10/371728110.db2.gz OWXQMVREUGWJMB-STQMWFEESA-N 2 2 286.379 2.215 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000261962771 371786091 /nfs/dbraw/zinc/78/60/91/371786091.db2.gz HMVBRYMNRWSDQK-CJNGLKHVSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c(-c2ccnn2C)c1 ZINC000261962771 371786097 /nfs/dbraw/zinc/78/60/97/371786097.db2.gz HMVBRYMNRWSDQK-CJNGLKHVSA-N 2 2 284.407 2.175 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1[NH3+] ZINC000262075172 371817124 /nfs/dbraw/zinc/81/71/24/371817124.db2.gz SLBZZSRPVCAXLC-SMDDNHRTSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1[NH3+] ZINC000262075172 371817125 /nfs/dbraw/zinc/81/71/25/371817125.db2.gz SLBZZSRPVCAXLC-SMDDNHRTSA-N 2 2 260.381 2.179 10 0 CEAELP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C2)ccc1OC ZINC000389482611 375303566 /nfs/dbraw/zinc/30/35/66/375303566.db2.gz XRSJXVCMWCSPGJ-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)ccc1OC ZINC000389482611 375303571 /nfs/dbraw/zinc/30/35/71/375303571.db2.gz XRSJXVCMWCSPGJ-CQSZACIVSA-N 2 2 278.396 2.278 10 0 CEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000389947090 375310696 /nfs/dbraw/zinc/31/06/96/375310696.db2.gz UUQFXTXQYSXFMJ-MRXNPFEDSA-N 2 2 284.407 2.163 10 0 CEAELP CC[C@@](C)([NH3+])C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000094239233 184767958 /nfs/dbraw/zinc/76/79/58/184767958.db2.gz WKJRJBHXLYYFLW-MRXNPFEDSA-N 2 2 278.396 2.189 10 0 CEAELP CC[C@@](C)([NH3+])C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000094239233 184767959 /nfs/dbraw/zinc/76/79/59/184767959.db2.gz WKJRJBHXLYYFLW-MRXNPFEDSA-N 2 2 278.396 2.189 10 0 CEAELP CC[NH2+][C@H](C[NH+](C)C)[C@@H]1CCOC2(CCCC2)C1 ZINC000094407418 184793986 /nfs/dbraw/zinc/79/39/86/184793986.db2.gz IJVBLRKCONWQFC-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[C@](C)([NH3+])C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000262720483 131255777 /nfs/dbraw/zinc/25/57/77/131255777.db2.gz ZHBVRVJKKLANAQ-INIZCTEOSA-N 2 2 293.411 2.183 10 0 CEAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000040989128 134875608 /nfs/dbraw/zinc/87/56/08/134875608.db2.gz ZRRBHKDSAUMXOL-GJZGRUSLSA-N 2 2 279.815 2.342 10 0 CEAELP CCc1cc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)nc(C)[nH+]1 ZINC000088760667 135057202 /nfs/dbraw/zinc/05/72/02/135057202.db2.gz YJOZLZGIASIDBM-KBPBESRZSA-N 2 2 262.401 2.314 10 0 CEAELP Cc1cc(C)c(C[NH2+]C2CC2)c(N2C[C@H]3CC[C@@H](C2)O3)[nH+]1 ZINC000090907744 135066681 /nfs/dbraw/zinc/06/66/81/135066681.db2.gz IDGNWZYITYIVTK-GASCZTMLSA-N 2 2 287.407 2.318 10 0 CEAELP NC(=[NH2+])c1ccc2[nH]c(Nc3[nH]c4ccccc4[nH+]3)nc2c1 ZINC000002017783 394452557 /nfs/dbraw/zinc/45/25/57/394452557.db2.gz ANAXDQKLUZENBR-UHFFFAOYSA-N 2 2 291.318 2.467 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000396558100 395216456 /nfs/dbraw/zinc/21/64/56/395216456.db2.gz IYQSUBPSDRWYSB-SCRDCRAPSA-N 2 2 278.396 2.495 10 0 CEAELP c1csc([C@@H]2CCCC[N@H+]2C[C@@H]2CC[NH2+]C2)n1 ZINC000649412010 396146475 /nfs/dbraw/zinc/14/64/75/396146475.db2.gz CELCIMCAQXPRBU-NEPJUHHUSA-N 2 2 251.399 2.280 10 0 CEAELP c1csc([C@@H]2CCCC[N@@H+]2C[C@@H]2CC[NH2+]C2)n1 ZINC000649412010 396146476 /nfs/dbraw/zinc/14/64/76/396146476.db2.gz CELCIMCAQXPRBU-NEPJUHHUSA-N 2 2 251.399 2.280 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCCN1CC[NH+]1CCCCC1 ZINC000178336059 165234119 /nfs/dbraw/zinc/23/41/19/165234119.db2.gz BJZWDCKDPUDURO-MRXNPFEDSA-N 2 2 276.428 2.142 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1CCCCC1 ZINC000178336059 165234123 /nfs/dbraw/zinc/23/41/23/165234123.db2.gz BJZWDCKDPUDURO-MRXNPFEDSA-N 2 2 276.428 2.142 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1CCCCC1 ZINC000178336059 165234127 /nfs/dbraw/zinc/23/41/27/165234127.db2.gz BJZWDCKDPUDURO-MRXNPFEDSA-N 2 2 276.428 2.142 10 0 CEAELP CC(C)C[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226432 171092184 /nfs/dbraw/zinc/09/21/84/171092184.db2.gz KKJCSFUWEQFZDB-LBPRGKRZSA-N 2 2 250.342 2.003 10 0 CEAELP CC(C)C[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226432 171092185 /nfs/dbraw/zinc/09/21/85/171092185.db2.gz KKJCSFUWEQFZDB-LBPRGKRZSA-N 2 2 250.342 2.003 10 0 CEAELP c1ccc([C@H](c2ccccn2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022108576 171352824 /nfs/dbraw/zinc/35/28/24/171352824.db2.gz GAGRQQXAFBKXPN-QGZVFWFLSA-N 2 2 267.376 2.466 10 0 CEAELP c1ccc([C@H](c2ccccn2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022108576 171352825 /nfs/dbraw/zinc/35/28/25/171352825.db2.gz GAGRQQXAFBKXPN-QGZVFWFLSA-N 2 2 267.376 2.466 10 0 CEAELP C[N@H+]([C@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CC1 ZINC000037080719 172937673 /nfs/dbraw/zinc/93/76/73/172937673.db2.gz HRDSESLMOKVMBH-GFCCVEGCSA-N 2 2 256.296 2.382 10 0 CEAELP C[N@@H+]([C@H](C[NH3+])c1ccc(OC(F)F)cc1)C1CC1 ZINC000037080719 172937675 /nfs/dbraw/zinc/93/76/75/172937675.db2.gz HRDSESLMOKVMBH-GFCCVEGCSA-N 2 2 256.296 2.382 10 0 CEAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037166611 173000093 /nfs/dbraw/zinc/00/00/93/173000093.db2.gz NHAVWXSVWFWNMZ-GDBMZVCRSA-N 3 2 269.477 2.283 10 0 CEAELP [NH3+]C[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000039174836 174165134 /nfs/dbraw/zinc/16/51/34/174165134.db2.gz HTLDBHWSJKUGOK-ZDUSSCGKSA-N 2 2 262.353 2.291 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000040639273 174363571 /nfs/dbraw/zinc/36/35/71/174363571.db2.gz BMRBKOAXUUXEFN-UHFFFAOYSA-N 2 2 287.392 2.204 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673182 174371260 /nfs/dbraw/zinc/37/12/60/174371260.db2.gz QBOCHLCIAIXFFL-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)C1 ZINC000040673182 174371261 /nfs/dbraw/zinc/37/12/61/174371261.db2.gz QBOCHLCIAIXFFL-CQSZACIVSA-N 2 2 276.380 2.032 10 0 CEAELP [NH3+]C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693651 174377518 /nfs/dbraw/zinc/37/75/18/174377518.db2.gz KPCPHLOJFRURCN-RDJZCZTQSA-N 3 2 279.472 2.454 10 0 CEAELP CCC[N@H+](C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747618 174392895 /nfs/dbraw/zinc/39/28/95/174392895.db2.gz CMNIXTFAVUZKNM-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP CCC[N@@H+](C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747618 174392896 /nfs/dbraw/zinc/39/28/96/174392896.db2.gz CMNIXTFAVUZKNM-MZBDJJRSSA-N 3 2 265.445 2.076 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750032 174395010 /nfs/dbraw/zinc/39/50/10/174395010.db2.gz DREPEQKNTFGRGO-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1ccc(C)c(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750032 174395012 /nfs/dbraw/zinc/39/50/12/174395012.db2.gz DREPEQKNTFGRGO-GOOCMWNKSA-N 2 2 287.407 2.196 10 0 CEAELP Cc1cc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)nc(C(C)C)[nH+]1 ZINC000040750527 174395552 /nfs/dbraw/zinc/39/55/52/174395552.db2.gz PUGHQSBKVMWJIK-YHWZYXNKSA-N 2 2 260.385 2.367 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)[N@H+](CCO)C1CC1 ZINC000042967511 174932024 /nfs/dbraw/zinc/93/20/24/174932024.db2.gz NERZKPBTLCIEFF-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)[N@@H+](CCO)C1CC1 ZINC000042967511 174932025 /nfs/dbraw/zinc/93/20/25/174932025.db2.gz NERZKPBTLCIEFF-JKSUJKDBSA-N 2 2 262.397 2.230 10 0 CEAELP COCC[N@H+]([C@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314948 175004478 /nfs/dbraw/zinc/00/44/78/175004478.db2.gz XPYWUVSNJDLCMO-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP COCC[N@@H+]([C@H](C[NH3+])c1cccc(C)c1C)C1CC1 ZINC000043314948 175004479 /nfs/dbraw/zinc/00/44/79/175004479.db2.gz XPYWUVSNJDLCMO-MRXNPFEDSA-N 2 2 262.397 2.414 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+]1CCCSCC1 ZINC000043335652 175011466 /nfs/dbraw/zinc/01/14/66/175011466.db2.gz OKZKVGCLBMOMGF-YPMHNXCESA-N 2 2 254.399 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+]1CCCSCC1 ZINC000043335652 175011467 /nfs/dbraw/zinc/01/14/67/175011467.db2.gz OKZKVGCLBMOMGF-YPMHNXCESA-N 2 2 254.399 2.497 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@H+](C)CCc1ccccn1 ZINC000043338985 175013451 /nfs/dbraw/zinc/01/34/51/175013451.db2.gz GVTKYZQAQCZRNH-RDJZCZTQSA-N 2 2 284.407 2.430 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](C)CCc1ccccn1 ZINC000043338985 175013452 /nfs/dbraw/zinc/01/34/52/175013452.db2.gz GVTKYZQAQCZRNH-RDJZCZTQSA-N 2 2 284.407 2.430 10 0 CEAELP CCC(CC)[N@H+](CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365184 175026029 /nfs/dbraw/zinc/02/60/29/175026029.db2.gz SOZSNDYPSOSENY-IUODEOHRSA-N 2 2 268.401 2.459 10 0 CEAELP CCC(CC)[N@@H+](CCO)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000043365184 175026031 /nfs/dbraw/zinc/02/60/31/175026031.db2.gz SOZSNDYPSOSENY-IUODEOHRSA-N 2 2 268.401 2.459 10 0 CEAELP Cc1ccc([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000043511849 175060430 /nfs/dbraw/zinc/06/04/30/175060430.db2.gz CUZQXHQZVBKCGS-QGZVFWFLSA-N 2 2 276.424 2.363 10 0 CEAELP Cc1ccc([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000043511849 175060431 /nfs/dbraw/zinc/06/04/31/175060431.db2.gz CUZQXHQZVBKCGS-QGZVFWFLSA-N 2 2 276.424 2.363 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C1CCCCC1 ZINC000043815165 175111998 /nfs/dbraw/zinc/11/19/98/175111998.db2.gz AIBCGADYUOPFDG-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C1CCCCC1 ZINC000043815165 175112000 /nfs/dbraw/zinc/11/20/00/175112000.db2.gz AIBCGADYUOPFDG-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000043818700 175114040 /nfs/dbraw/zinc/11/40/40/175114040.db2.gz FKBOHABKRFVSIG-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818700 175114042 /nfs/dbraw/zinc/11/40/42/175114042.db2.gz FKBOHABKRFVSIG-HZPDHXFCSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000043818699 175114189 /nfs/dbraw/zinc/11/41/89/175114189.db2.gz FKBOHABKRFVSIG-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP C[NH2+][C@H]1CCCCC[C@@H]1[N@@H+](C)CCc1ccccn1 ZINC000043818699 175114191 /nfs/dbraw/zinc/11/41/91/175114191.db2.gz FKBOHABKRFVSIG-HOTGVXAUSA-N 2 2 261.413 2.477 10 0 CEAELP CC[N@H+](C1CCCC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890566 175118093 /nfs/dbraw/zinc/11/80/93/175118093.db2.gz DGVHVZMWSNGUKA-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CC[N@@H+](C1CCCC1)[C@H]1CC2(CC[C@@H]1[NH2+]C)OCCO2 ZINC000043890566 175118094 /nfs/dbraw/zinc/11/80/94/175118094.db2.gz DGVHVZMWSNGUKA-GJZGRUSLSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897806 175120550 /nfs/dbraw/zinc/12/05/50/175120550.db2.gz ODNBBMBJOQOGTE-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897806 175120551 /nfs/dbraw/zinc/12/05/51/175120551.db2.gz ODNBBMBJOQOGTE-IHRRRGAJSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913707 175124564 /nfs/dbraw/zinc/12/45/64/175124564.db2.gz WPNNWBFZNNEBQY-ZQDZILKHSA-N 2 2 254.418 2.406 10 0 CEAELP CC[C@H]1CO[C@@H](C)C[N@H+]1[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000043913707 175124565 /nfs/dbraw/zinc/12/45/65/175124565.db2.gz WPNNWBFZNNEBQY-ZQDZILKHSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+]1CCOCC1(C)C ZINC000043916956 175125576 /nfs/dbraw/zinc/12/55/76/175125576.db2.gz IOAFOMBJAMQEEH-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+]1CCOCC1(C)C ZINC000043916956 175125577 /nfs/dbraw/zinc/12/55/77/175125577.db2.gz IOAFOMBJAMQEEH-KGLIPLIRSA-N 2 2 254.418 2.408 10 0 CEAELP Cc1nn(C)c(C)c1-c1c[nH]c(CCCCC[NH3+])[nH+]1 ZINC000045169353 175319822 /nfs/dbraw/zinc/31/98/22/175319822.db2.gz NXPRYMYFTGPPEN-UHFFFAOYSA-N 2 2 261.373 2.099 10 0 CEAELP Cc1nn(C)c(C)c1-c1c[nH]c(CCC[NH2+]C(C)C)[nH+]1 ZINC000045169572 175320670 /nfs/dbraw/zinc/32/06/70/175320670.db2.gz VOMGDURGWZJOKC-UHFFFAOYSA-N 2 2 275.400 2.358 10 0 CEAELP CCC1CCC([N@H+](C)CC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045281163 175352260 /nfs/dbraw/zinc/35/22/60/175352260.db2.gz ADUJVHDJHCRHPS-PUJMQQBBSA-N 2 2 295.471 2.273 10 0 CEAELP CCC1CCC([N@@H+](C)CC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045281163 175352261 /nfs/dbraw/zinc/35/22/61/175352261.db2.gz ADUJVHDJHCRHPS-PUJMQQBBSA-N 2 2 295.471 2.273 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)C1)C(=O)OC ZINC000045377179 175366951 /nfs/dbraw/zinc/36/69/51/175366951.db2.gz QIKKQUSFHNUOES-HIFRSBDPSA-N 2 2 270.417 2.040 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H](C)C1)C(=O)OC ZINC000045377179 175366953 /nfs/dbraw/zinc/36/69/53/175366953.db2.gz QIKKQUSFHNUOES-HIFRSBDPSA-N 2 2 270.417 2.040 10 0 CEAELP CC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379888 175368962 /nfs/dbraw/zinc/36/89/62/175368962.db2.gz SCKSYJHAYNJWJX-INIZCTEOSA-N 2 2 277.412 2.147 10 0 CEAELP CC[N@@H+](CCCC[C@](C)([NH2+]C)C(N)=O)c1ccccc1 ZINC000045379888 175368964 /nfs/dbraw/zinc/36/89/64/175368964.db2.gz SCKSYJHAYNJWJX-INIZCTEOSA-N 2 2 277.412 2.147 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCC(OC)CC2)C1 ZINC000071123286 176034770 /nfs/dbraw/zinc/03/47/70/176034770.db2.gz IRHMWYYCUXQNNP-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191517 176069357 /nfs/dbraw/zinc/06/93/57/176069357.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191517 176069359 /nfs/dbraw/zinc/06/93/59/176069359.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191517 176069360 /nfs/dbraw/zinc/06/93/60/176069360.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CC(C)C[NH2+]CC(C)(C)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191517 176069361 /nfs/dbraw/zinc/06/93/61/176069361.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 3 2 269.477 2.142 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191308 176069463 /nfs/dbraw/zinc/06/94/63/176069463.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191308 176069464 /nfs/dbraw/zinc/06/94/64/176069464.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191308 176069466 /nfs/dbraw/zinc/06/94/66/176069466.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CCC[NH2+][C@@H]1CCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191308 176069467 /nfs/dbraw/zinc/06/94/67/176069467.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 3 2 267.461 2.038 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191964 176071861 /nfs/dbraw/zinc/07/18/61/176071861.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000071191964 176071862 /nfs/dbraw/zinc/07/18/62/176071862.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191964 176071864 /nfs/dbraw/zinc/07/18/64/176071864.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP CC(C)C[NH2+]Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000071191964 176071867 /nfs/dbraw/zinc/07/18/67/176071867.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 3 2 293.455 2.409 10 0 CEAELP Cc1[nH+]ccn1CCN1CC(C)(C)[NH2+]C[C@@]1(C)C1CC1 ZINC000071343363 176130763 /nfs/dbraw/zinc/13/07/63/176130763.db2.gz SHTKFWGJBHYUHC-INIZCTEOSA-N 2 2 276.428 2.044 10 0 CEAELP Cc1[nH+]ccn1CCN1CC2(CCCC2)[NH2+]C[C@H]1C1CC1 ZINC000071358695 176137333 /nfs/dbraw/zinc/13/73/33/176137333.db2.gz BPCRPKMEJMBOBG-INIZCTEOSA-N 2 2 288.439 2.188 10 0 CEAELP CC1(C)CC[N@H+](Cc2noc(C[NH3+])n2)CC(C)(C)C1 ZINC000662306573 415768652 /nfs/dbraw/zinc/76/86/52/415768652.db2.gz RADAAZOXZLHJRV-UHFFFAOYSA-N 2 2 266.389 2.177 10 0 CEAELP CC1(C)CC[N@@H+](Cc2noc(C[NH3+])n2)CC(C)(C)C1 ZINC000662306573 415768660 /nfs/dbraw/zinc/76/86/60/415768660.db2.gz RADAAZOXZLHJRV-UHFFFAOYSA-N 2 2 266.389 2.177 10 0 CEAELP Cc1ccc(C[NH+]2CCN(CCn3cc[nH+]c3)CC2)cc1 ZINC000077120169 177226643 /nfs/dbraw/zinc/22/66/43/177226643.db2.gz IVTCLQZTEYWSMI-UHFFFAOYSA-N 2 2 284.407 2.009 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000130229592 275070638 /nfs/dbraw/zinc/07/06/38/275070638.db2.gz OQKDNFXVWXNZBB-UMVBOHGHSA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000130229592 275070640 /nfs/dbraw/zinc/07/06/40/275070640.db2.gz OQKDNFXVWXNZBB-UMVBOHGHSA-N 2 2 258.365 2.337 10 0 CEAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000333231520 288852792 /nfs/dbraw/zinc/85/27/92/288852792.db2.gz CBHHMNDGHPWLHF-WHOFXGATSA-N 2 2 273.380 2.190 10 0 CEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)C[C@@H]21 ZINC000230134143 295309859 /nfs/dbraw/zinc/30/98/59/295309859.db2.gz UDMYZKJRADVWKY-GRYCIOLGSA-N 2 2 256.353 2.127 10 0 CEAELP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000168592777 297468229 /nfs/dbraw/zinc/46/82/29/297468229.db2.gz MOOOZMCNGJXNBD-KBPBESRZSA-N 2 2 299.459 2.173 10 0 CEAELP Cc1csc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000581619080 322412012 /nfs/dbraw/zinc/41/20/12/322412012.db2.gz XTVMYGNWHXMAHM-SRVKXCTJSA-N 2 2 253.415 2.490 10 0 CEAELP Nc1ncccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077436506 327132425 /nfs/dbraw/zinc/13/24/25/327132425.db2.gz GXCVTCVXBWSZIG-OAHLLOKOSA-N 2 2 288.439 2.362 10 0 CEAELP Nc1ncccc1C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077436506 327132427 /nfs/dbraw/zinc/13/24/27/327132427.db2.gz GXCVTCVXBWSZIG-OAHLLOKOSA-N 2 2 288.439 2.362 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC[C@@H]2CC)oc1C ZINC000052481442 519990282 /nfs/dbraw/zinc/99/02/82/519990282.db2.gz ALPIGCHCTDEPCF-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC[C@@H]2CC)oc1C ZINC000052481442 519990293 /nfs/dbraw/zinc/99/02/93/519990293.db2.gz ALPIGCHCTDEPCF-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546373 521136867 /nfs/dbraw/zinc/13/68/67/521136867.db2.gz LFVFRJOFWDAQBT-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546373 521136875 /nfs/dbraw/zinc/13/68/75/521136875.db2.gz LFVFRJOFWDAQBT-AWEZNQCLSA-N 2 2 254.349 2.102 10 0 CEAELP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477881 519744042 /nfs/dbraw/zinc/74/40/42/519744042.db2.gz OMTLFZMTVYLQNZ-CQSZACIVSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477883 519744053 /nfs/dbraw/zinc/74/40/53/519744053.db2.gz OMTLFZMTVYLQNZ-AWEZNQCLSA-N 3 2 255.450 2.037 10 0 CEAELP CC(C)C[NH2+]Cc1ccoc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371297 519748171 /nfs/dbraw/zinc/74/81/71/519748171.db2.gz WCUAXXRGUGZADI-UHFFFAOYSA-N 2 2 291.439 2.305 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000049197325 519793831 /nfs/dbraw/zinc/79/38/31/519793831.db2.gz FWAWHNWYXOMZRY-MRXNPFEDSA-N 2 2 287.407 2.204 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049198872 519814699 /nfs/dbraw/zinc/81/46/99/519814699.db2.gz KADVCXIIFYEIHF-WFASDCNBSA-N 2 2 292.427 2.414 10 0 CEAELP CCC1CC[NH+](Cc2csc(C[NH2+]C)n2)CC1 ZINC000052346875 519859790 /nfs/dbraw/zinc/85/97/90/519859790.db2.gz ZEQXOSLLSNQLOB-UHFFFAOYSA-N 2 2 253.415 2.485 10 0 CEAELP CCC[NH2+]C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000061674882 519906971 /nfs/dbraw/zinc/90/69/71/519906971.db2.gz LSJOSBYCFNXSKZ-UHFFFAOYSA-N 2 2 276.380 2.379 10 0 CEAELP CCC[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515151 519920235 /nfs/dbraw/zinc/92/02/35/519920235.db2.gz YXDLHZUBIPIZLB-INIZCTEOSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@H]1[NH+]1CCC(C)(C)CC1)OCCO2 ZINC000061819715 520214530 /nfs/dbraw/zinc/21/45/30/520214530.db2.gz ZNRMDMFAERTPGD-LSDHHAIUSA-N 2 2 296.455 2.382 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@H+](CC)CCOC)cc1 ZINC000052920084 520428138 /nfs/dbraw/zinc/42/81/38/520428138.db2.gz FAKAQYADVKOSKB-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CCCOc1ccc([C@H](C[NH3+])[N@@H+](CC)CCOC)cc1 ZINC000052920084 520428143 /nfs/dbraw/zinc/42/81/43/520428143.db2.gz FAKAQYADVKOSKB-INIZCTEOSA-N 2 2 280.412 2.444 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237591 520966935 /nfs/dbraw/zinc/96/69/35/520966935.db2.gz CXFTVQJEFLRJDK-OAHLLOKOSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000069237591 520966941 /nfs/dbraw/zinc/96/69/41/520966941.db2.gz CXFTVQJEFLRJDK-OAHLLOKOSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@H+](CCOC)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052542605 521137803 /nfs/dbraw/zinc/13/78/03/521137803.db2.gz VKSUTOFCIGEHLG-UHFFFAOYSA-N 2 2 285.457 2.357 10 0 CEAELP CC[N@@H+](CCOC)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052542605 521137811 /nfs/dbraw/zinc/13/78/11/521137811.db2.gz VKSUTOFCIGEHLG-UHFFFAOYSA-N 2 2 285.457 2.357 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023364 521567640 /nfs/dbraw/zinc/56/76/40/521567640.db2.gz BVZFRBIFNLGTHL-INIZCTEOSA-N 3 2 288.439 2.470 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023364 521567648 /nfs/dbraw/zinc/56/76/48/521567648.db2.gz BVZFRBIFNLGTHL-INIZCTEOSA-N 3 2 288.439 2.470 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000049574789 521583203 /nfs/dbraw/zinc/58/32/03/521583203.db2.gz HSYIOSWMEWPSPR-OAHLLOKOSA-N 3 2 267.461 2.182 10 0 CEAELP C[NH2+][C@@H](CCN1CCn2cc[nH+]c2C1)c1ccc(C)cc1 ZINC000062322635 522344951 /nfs/dbraw/zinc/34/49/51/522344951.db2.gz MPAPZSZKMFZZGM-INIZCTEOSA-N 2 2 284.407 2.358 10 0 CEAELP CCc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)COC ZINC000062808180 522502564 /nfs/dbraw/zinc/50/25/64/522502564.db2.gz ZEONDDWBISTOMH-GFCCVEGCSA-N 2 2 261.369 2.223 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1F ZINC000062803190 522646718 /nfs/dbraw/zinc/64/67/18/522646718.db2.gz VHELKVHAHRJOHH-GFCCVEGCSA-N 2 2 265.307 2.489 10 0 CEAELP C[N@H+](Cc1ccc(F)cc1)Cc1cc[nH+]c(NN)c1 ZINC000052722919 523252950 /nfs/dbraw/zinc/25/29/50/523252950.db2.gz IOFIPAVGEPOOTO-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@@H+](Cc1ccc(F)cc1)Cc1cc[nH+]c(NN)c1 ZINC000052722919 523252957 /nfs/dbraw/zinc/25/29/57/523252957.db2.gz IOFIPAVGEPOOTO-UHFFFAOYSA-N 2 2 260.316 2.138 10 0 CEAELP C[N@H+](Cc1ccccn1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883324 523397872 /nfs/dbraw/zinc/39/78/72/523397872.db2.gz GMVZZMXJCQLEMV-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1ccccn1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883324 523397876 /nfs/dbraw/zinc/39/78/76/523397876.db2.gz GMVZZMXJCQLEMV-MRXNPFEDSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@H+](Cc1cccs1)Cc1cccnc1C(N)=[NH2+] ZINC000061657968 523447688 /nfs/dbraw/zinc/44/76/88/523447688.db2.gz QTUKFSJBLICPKC-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP C[N@@H+](Cc1cccs1)Cc1cccnc1C(N)=[NH2+] ZINC000061657968 523447701 /nfs/dbraw/zinc/44/77/01/523447701.db2.gz QTUKFSJBLICPKC-UHFFFAOYSA-N 2 2 260.366 2.059 10 0 CEAELP COC(=O)[C@H](c1ccccc1)[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602199 523939011 /nfs/dbraw/zinc/93/90/11/523939011.db2.gz MVJUDMCSQWPAAM-UYTSQGDYSA-N 2 2 288.391 2.245 10 0 CEAELP COC(=O)[C@H](c1ccccc1)[N@@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602199 523939017 /nfs/dbraw/zinc/93/90/17/523939017.db2.gz MVJUDMCSQWPAAM-UYTSQGDYSA-N 2 2 288.391 2.245 10 0 CEAELP COCC[NH2+]Cc1cc(F)ccc1-n1c[nH+]c(C)c1C ZINC000062738897 523950600 /nfs/dbraw/zinc/95/06/00/523950600.db2.gz LRRDERLFDXNBHM-UHFFFAOYSA-N 2 2 277.343 2.364 10 0 CEAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCc2c1cccc2O ZINC000049150495 524319694 /nfs/dbraw/zinc/31/96/94/524319694.db2.gz LFAAYEYBTKPVNZ-DOMZBBRYSA-N 2 2 260.381 2.453 10 0 CEAELP Cc1cccc(C2CC([NH2+]C[C@H]3C[N@@H+](C)CCN3C)C2)c1 ZINC000068800957 524336901 /nfs/dbraw/zinc/33/69/01/524336901.db2.gz GUMZPNQNBLHQLA-ABHNRTSZSA-N 2 2 287.451 2.076 10 0 CEAELP Cc1cccc(C2CC([NH2+]C[C@H]3C[N@H+](C)CCN3C)C2)c1 ZINC000068800957 524336910 /nfs/dbraw/zinc/33/69/10/524336910.db2.gz GUMZPNQNBLHQLA-ABHNRTSZSA-N 2 2 287.451 2.076 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)n1c(N)[nH+]c2c1cccc2F ZINC000049185010 524594414 /nfs/dbraw/zinc/59/44/14/524594414.db2.gz RPWOINPONNOZLC-JTQLQIEISA-N 2 2 262.332 2.414 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCCCCC1 ZINC000068627005 524852097 /nfs/dbraw/zinc/85/20/97/524852097.db2.gz XPFHLXNEFSTVAA-SUMWQHHRSA-N 2 2 295.471 2.416 10 0 CEAELP C[C@@H](C[C@@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCCCCC1 ZINC000068627005 524852106 /nfs/dbraw/zinc/85/21/06/524852106.db2.gz XPFHLXNEFSTVAA-SUMWQHHRSA-N 2 2 295.471 2.416 10 0 CEAELP C[C@@H](Cc1ccsc1)[NH2+][C@H]1C[NH+]2CCC1CC2 ZINC000049155901 524940872 /nfs/dbraw/zinc/94/08/72/524940872.db2.gz RPRIWZNOTFCWTD-FZMZJTMJSA-N 2 2 250.411 2.363 10 0 CEAELP COc1ccc(C[C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313288556 536501943 /nfs/dbraw/zinc/50/19/43/536501943.db2.gz YZTPWHDCENKINH-CYBMUJFWSA-N 2 2 273.380 2.192 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(Cl)c1 ZINC000052709609 527146656 /nfs/dbraw/zinc/14/66/56/527146656.db2.gz YYYVSTIUQSQWMU-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(Cl)c1 ZINC000052709609 527146662 /nfs/dbraw/zinc/14/66/62/527146662.db2.gz YYYVSTIUQSQWMU-YOGCLGLASA-N 2 2 251.761 2.189 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(F)cc1Br ZINC000052304076 527199236 /nfs/dbraw/zinc/19/92/36/527199236.db2.gz CQCOVGBWPLSHAW-UHFFFAOYSA-N 2 2 298.159 2.334 10 0 CEAELP [NH3+]C[C@]1([N@@H+]2CCc3ccccc3C2)CCCSC1 ZINC000061589905 527243947 /nfs/dbraw/zinc/24/39/47/527243947.db2.gz ZLRLPYVYFRFWHE-OAHLLOKOSA-N 2 2 262.422 2.269 10 0 CEAELP [NH3+]C[C@]1([N@H+]2CCc3ccccc3C2)CCCSC1 ZINC000061589905 527243952 /nfs/dbraw/zinc/24/39/52/527243952.db2.gz ZLRLPYVYFRFWHE-OAHLLOKOSA-N 2 2 262.422 2.269 10 0 CEAELP [NH3+]Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000052484206 527252706 /nfs/dbraw/zinc/25/27/06/527252706.db2.gz VRLLWUPBNURNEN-UHFFFAOYSA-N 3 2 277.412 2.189 10 0 CEAELP FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054764944 527671632 /nfs/dbraw/zinc/67/16/32/527671632.db2.gz AFBXCLDYERVFBH-GXSJLCMTSA-N 2 2 277.290 2.389 10 0 CEAELP CCN(CC)c1ccc(N[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000129017263 651728990 /nfs/dbraw/zinc/72/89/90/651728990.db2.gz XNAHFVFWXATXKG-ZDUSSCGKSA-N 2 2 262.401 2.482 10 0 CEAELP CC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259870 539222402 /nfs/dbraw/zinc/22/24/02/539222402.db2.gz XMTDGABVECRJGV-GDBMZVCRSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000305259870 539222404 /nfs/dbraw/zinc/22/24/04/539222404.db2.gz XMTDGABVECRJGV-GDBMZVCRSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000305259870 539222405 /nfs/dbraw/zinc/22/24/05/539222405.db2.gz XMTDGABVECRJGV-GDBMZVCRSA-N 2 2 264.413 2.210 10 0 CEAELP CC[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000305259870 539222407 /nfs/dbraw/zinc/22/24/07/539222407.db2.gz XMTDGABVECRJGV-GDBMZVCRSA-N 2 2 264.413 2.210 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+](C)C ZINC000043020105 362133196 /nfs/dbraw/zinc/13/31/96/362133196.db2.gz CHCRBTGMIAWACB-LDYMZIIASA-N 2 2 257.175 2.399 10 0 CEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437257 344374297 /nfs/dbraw/zinc/37/42/97/344374297.db2.gz UQDFRWAZSUZXGB-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000134437257 344374299 /nfs/dbraw/zinc/37/42/99/344374299.db2.gz UQDFRWAZSUZXGB-MRXNPFEDSA-N 2 2 262.397 2.114 10 0 CEAELP Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c[nH+]1 ZINC000306499183 344713756 /nfs/dbraw/zinc/71/37/56/344713756.db2.gz IEGHSFWSPSCABE-UHFFFAOYSA-N 2 2 282.391 2.376 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384561308 344828639 /nfs/dbraw/zinc/82/86/39/344828639.db2.gz KBFMIQZQIHRIQO-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384561308 344828641 /nfs/dbraw/zinc/82/86/41/344828641.db2.gz KBFMIQZQIHRIQO-ILXRZTDVSA-N 2 2 254.418 2.002 10 0 CEAELP Cc1ccc([C@@H](O)[C@@H]([NH2+]CC[NH3+])c2ccccc2)cc1 ZINC000584594851 344961395 /nfs/dbraw/zinc/96/13/95/344961395.db2.gz BVJAXMBZUSWVQE-DLBZAZTESA-N 2 2 270.376 2.318 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774820 344984807 /nfs/dbraw/zinc/98/48/07/344984807.db2.gz OWAXBTUGCHNNAW-OAGGEKHMSA-N 3 2 267.461 2.085 10 0 CEAELP CC[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687080 345051724 /nfs/dbraw/zinc/05/17/24/345051724.db2.gz KHDMKBADAWTGHG-KRWDZBQOSA-N 2 2 278.440 2.457 10 0 CEAELP CC[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000588687080 345051726 /nfs/dbraw/zinc/05/17/26/345051726.db2.gz KHDMKBADAWTGHG-KRWDZBQOSA-N 2 2 278.440 2.457 10 0 CEAELP CC[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588687080 345051728 /nfs/dbraw/zinc/05/17/28/345051728.db2.gz KHDMKBADAWTGHG-KRWDZBQOSA-N 2 2 278.440 2.457 10 0 CEAELP CC[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588687080 345051731 /nfs/dbraw/zinc/05/17/31/345051731.db2.gz KHDMKBADAWTGHG-KRWDZBQOSA-N 2 2 278.440 2.457 10 0 CEAELP Cc1ccc2cc(C[N@@H+]3CCC[C@H]3C[NH3+])ccc2n1 ZINC000097862694 232187536 /nfs/dbraw/zinc/18/75/36/232187536.db2.gz SKSRAJQTZLOGDV-HNNXBMFYSA-N 2 2 255.365 2.466 10 0 CEAELP Cc1ccc2cc(C[N@H+]3CCC[C@H]3C[NH3+])ccc2n1 ZINC000097862694 232187538 /nfs/dbraw/zinc/18/75/38/232187538.db2.gz SKSRAJQTZLOGDV-HNNXBMFYSA-N 2 2 255.365 2.466 10 0 CEAELP CC[N@H+](CCC[C@@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303531 179011130 /nfs/dbraw/zinc/01/11/30/179011130.db2.gz SXTQPYZUYHQXHV-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@@](C)(O)C[NH3+])c1ccc(C)cc1 ZINC000085303531 179011132 /nfs/dbraw/zinc/01/11/32/179011132.db2.gz SXTQPYZUYHQXHV-OAHLLOKOSA-N 2 2 250.386 2.311 10 0 CEAELP CCC1(CC)C[N@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000085520633 179087728 /nfs/dbraw/zinc/08/77/28/179087728.db2.gz ILOXLLGZJCNXKF-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CCC1(CC)C[N@@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000085520633 179087729 /nfs/dbraw/zinc/08/77/29/179087729.db2.gz ILOXLLGZJCNXKF-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1Cc1cn2ccccc2[nH+]1 ZINC000085522954 179088848 /nfs/dbraw/zinc/08/88/48/179088848.db2.gz GVQXRBYPMOACTO-HZPDHXFCSA-N 2 2 284.407 2.297 10 0 CEAELP CCC[C@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085612214 179103193 /nfs/dbraw/zinc/10/31/93/179103193.db2.gz WTEHNNRJJOCLAI-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[C@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)CCC[NH2+]1 ZINC000085612214 179103195 /nfs/dbraw/zinc/10/31/95/179103195.db2.gz WTEHNNRJJOCLAI-ZNMIVQPWSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614848 179103628 /nfs/dbraw/zinc/10/36/28/179103628.db2.gz ZRSBQFLXICFRHG-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CCC[NH2+]1 ZINC000085614848 179103630 /nfs/dbraw/zinc/10/36/30/179103630.db2.gz ZRSBQFLXICFRHG-ZDUSSCGKSA-N 2 2 266.360 2.408 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1F ZINC000085616597 179103817 /nfs/dbraw/zinc/10/38/17/179103817.db2.gz WJQYTOWVAZNBBQ-HNNXBMFYSA-N 2 2 278.371 2.408 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1F ZINC000085616597 179103819 /nfs/dbraw/zinc/10/38/19/179103819.db2.gz WJQYTOWVAZNBBQ-HNNXBMFYSA-N 2 2 278.371 2.408 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616385 179104298 /nfs/dbraw/zinc/10/42/98/179104298.db2.gz HPELTXITXHJFGJ-ILXRZTDVSA-N 2 2 252.402 2.018 10 0 CEAELP CO[C@H]1CCC[C@@H]([N@H+]2CCC[NH2+][C@H](C3CC3)C2)C1 ZINC000085616385 179104300 /nfs/dbraw/zinc/10/43/00/179104300.db2.gz HPELTXITXHJFGJ-ILXRZTDVSA-N 2 2 252.402 2.018 10 0 CEAELP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+]1CCCCC1 ZINC000085636210 179109030 /nfs/dbraw/zinc/10/90/30/179109030.db2.gz DCDYJQMQCFEGGE-QPSCCSFWSA-N 2 2 266.429 2.264 10 0 CEAELP CCC[NH2+][C@@H](CCO)Cn1cc[nH+]c1-c1ccccc1 ZINC000085923324 179201668 /nfs/dbraw/zinc/20/16/68/179201668.db2.gz WINCHXZYOZSQDY-HNNXBMFYSA-N 2 2 273.380 2.301 10 0 CEAELP CC[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000086091905 179229092 /nfs/dbraw/zinc/22/90/92/179229092.db2.gz VEOUUEDAOYHTHJ-YRGRVCCFSA-N 2 2 264.417 2.400 10 0 CEAELP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1Cc1[nH+]ccn1C ZINC000086264853 179261156 /nfs/dbraw/zinc/26/11/56/179261156.db2.gz BBSYSHODQRVALB-RHSMWYFYSA-N 2 2 284.407 2.129 10 0 CEAELP CC[C@H](COC)[N@@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086267462 179261820 /nfs/dbraw/zinc/26/18/20/179261820.db2.gz YQNQGYWAWNLUAU-RBSFLKMASA-N 2 2 254.418 2.120 10 0 CEAELP CC[C@H](COC)[N@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000086267462 179261823 /nfs/dbraw/zinc/26/18/23/179261823.db2.gz YQNQGYWAWNLUAU-RBSFLKMASA-N 2 2 254.418 2.120 10 0 CEAELP CCC[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317396 179270364 /nfs/dbraw/zinc/27/03/64/179270364.db2.gz XCTRIMXTUYHFCA-IRXDYDNUSA-N 2 2 285.391 2.345 10 0 CEAELP CCC[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc2ccccc2n1 ZINC000086317396 179270366 /nfs/dbraw/zinc/27/03/66/179270366.db2.gz XCTRIMXTUYHFCA-IRXDYDNUSA-N 2 2 285.391 2.345 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296303 179267993 /nfs/dbraw/zinc/26/79/93/179267993.db2.gz RMUHWJHQBQYMHM-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296303 179267996 /nfs/dbraw/zinc/26/79/96/179267996.db2.gz RMUHWJHQBQYMHM-HIFRSBDPSA-N 2 2 277.412 2.300 10 0 CEAELP Cn1cc[nH+]c1CN1CCC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086297332 179268209 /nfs/dbraw/zinc/26/82/09/179268209.db2.gz QJXVGSHDMXJSNN-KRWDZBQOSA-N 2 2 284.407 2.131 10 0 CEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)cs1 ZINC000086333658 179273605 /nfs/dbraw/zinc/27/36/05/179273605.db2.gz UBDZKKQWWIWTLS-KBVBSXBZSA-N 2 2 256.802 2.441 10 0 CEAELP C[C@@H]1[C@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)cs1 ZINC000086333658 179273606 /nfs/dbraw/zinc/27/36/06/179273606.db2.gz UBDZKKQWWIWTLS-KBVBSXBZSA-N 2 2 256.802 2.441 10 0 CEAELP Cn1cc[nH+]c1C[C@H]([NH3+])c1cccc(Br)c1 ZINC000086486088 179301473 /nfs/dbraw/zinc/30/14/73/179301473.db2.gz UYINUMHHTIZLEO-NSHDSACASA-N 2 2 280.169 2.425 10 0 CEAELP c1csc(-c2n[nH]cc2C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000086507155 179303436 /nfs/dbraw/zinc/30/34/36/179303436.db2.gz WXUINBYISVDSHE-UHFFFAOYSA-N 2 2 273.365 2.194 10 0 CEAELP c1csc(-c2n[nH]cc2C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000086507155 179303440 /nfs/dbraw/zinc/30/34/40/179303440.db2.gz WXUINBYISVDSHE-UHFFFAOYSA-N 2 2 273.365 2.194 10 0 CEAELP COCC[NH2+][C@@]1(c2nc(C)c(C)s2)CCC[N@H+](C)CC1 ZINC000086833785 179349398 /nfs/dbraw/zinc/34/93/98/179349398.db2.gz RNEBFFZCNXHMBC-HNNXBMFYSA-N 2 2 297.468 2.307 10 0 CEAELP COCC[NH2+][C@@]1(c2nc(C)c(C)s2)CCC[N@@H+](C)CC1 ZINC000086833785 179349401 /nfs/dbraw/zinc/34/94/01/179349401.db2.gz RNEBFFZCNXHMBC-HNNXBMFYSA-N 2 2 297.468 2.307 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818506 179347159 /nfs/dbraw/zinc/34/71/59/179347159.db2.gz YWHKQSWXEAEHRO-ZIAGYGMSSA-N 2 2 291.443 2.139 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1nnc2n1CCCCC2 ZINC000086818506 179347162 /nfs/dbraw/zinc/34/71/62/179347162.db2.gz YWHKQSWXEAEHRO-ZIAGYGMSSA-N 2 2 291.443 2.139 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836675 179351545 /nfs/dbraw/zinc/35/15/45/179351545.db2.gz FATGXWIQBZKBDJ-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836675 179351547 /nfs/dbraw/zinc/35/15/47/179351547.db2.gz FATGXWIQBZKBDJ-CVEARBPZSA-N 3 2 269.477 2.427 10 0 CEAELP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[N@H+](CC)CC1 ZINC000086843786 179352886 /nfs/dbraw/zinc/35/28/86/179352886.db2.gz OIIMIDFXWWIXGB-GJZGRUSLSA-N 3 2 255.450 2.181 10 0 CEAELP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[N@@H+](CC)CC1 ZINC000086843786 179352887 /nfs/dbraw/zinc/35/28/87/179352887.db2.gz OIIMIDFXWWIXGB-GJZGRUSLSA-N 3 2 255.450 2.181 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000086843675 179353136 /nfs/dbraw/zinc/35/31/36/179353136.db2.gz RPRUEDGXKOCLKR-OAHLLOKOSA-N 3 2 264.417 2.127 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000086843675 179353139 /nfs/dbraw/zinc/35/31/39/179353139.db2.gz RPRUEDGXKOCLKR-OAHLLOKOSA-N 3 2 264.417 2.127 10 0 CEAELP [NH3+]C[C@]1([N@@H+]2CCc3sccc3C2)CCCOCC1 ZINC000086874757 179364615 /nfs/dbraw/zinc/36/46/15/179364615.db2.gz IGVIIVSYIFDRPI-AWEZNQCLSA-N 2 2 266.410 2.004 10 0 CEAELP [NH3+]C[C@]1([N@H+]2CCc3sccc3C2)CCCOCC1 ZINC000086874757 179364616 /nfs/dbraw/zinc/36/46/16/179364616.db2.gz IGVIIVSYIFDRPI-AWEZNQCLSA-N 2 2 266.410 2.004 10 0 CEAELP CCC1(C)CC[NH+]([C@]2(C[NH3+])CCCOCC2)CC1 ZINC000086875761 179365321 /nfs/dbraw/zinc/36/53/21/179365321.db2.gz HPZLKBTVMMFVED-OAHLLOKOSA-N 2 2 254.418 2.397 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CC[C@H](c3ccccc3)C2)CCCOCC1 ZINC000086875619 179365380 /nfs/dbraw/zinc/36/53/80/179365380.db2.gz AZSAOKNZHLXQLX-DLBZAZTESA-N 2 2 274.408 2.374 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CC[C@H](c3ccccc3)C2)CCCOCC1 ZINC000086875619 179365381 /nfs/dbraw/zinc/36/53/81/179365381.db2.gz AZSAOKNZHLXQLX-DLBZAZTESA-N 2 2 274.408 2.374 10 0 CEAELP CC(C)[C@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947840 179368676 /nfs/dbraw/zinc/36/86/76/179368676.db2.gz TZKRDXJIHZFPJQ-GJZGRUSLSA-N 2 2 254.418 2.252 10 0 CEAELP CCC[C@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)CC1 ZINC000086947846 179368873 /nfs/dbraw/zinc/36/88/73/179368873.db2.gz NUVPDTHTVAGPPP-GJZGRUSLSA-N 2 2 254.418 2.397 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616619707 348536610 /nfs/dbraw/zinc/53/66/10/348536610.db2.gz AINJLXBCLBWKLD-OAHLLOKOSA-N 2 2 276.380 2.001 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616619707 348536611 /nfs/dbraw/zinc/53/66/11/348536611.db2.gz AINJLXBCLBWKLD-OAHLLOKOSA-N 2 2 276.380 2.001 10 0 CEAELP CCn1nc(C)cc1C[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000089211410 179756198 /nfs/dbraw/zinc/75/61/98/179756198.db2.gz PXOKNFKTNWAHMI-INIZCTEOSA-N 2 2 276.428 2.175 10 0 CEAELP CCn1nc(C)cc1C[N@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000089211410 179756200 /nfs/dbraw/zinc/75/62/00/179756200.db2.gz PXOKNFKTNWAHMI-INIZCTEOSA-N 2 2 276.428 2.175 10 0 CEAELP CCN1CCCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C(C)C ZINC000090209370 179935635 /nfs/dbraw/zinc/93/56/35/179935635.db2.gz PXSFNGRNDUNEDC-TZMCWYRMSA-N 2 2 250.390 2.338 10 0 CEAELP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000090566772 180006462 /nfs/dbraw/zinc/00/64/62/180006462.db2.gz PVGPODPMMZZWGO-HZPDHXFCSA-N 2 2 260.381 2.017 10 0 CEAELP CCCCCNC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693428 180025260 /nfs/dbraw/zinc/02/52/60/180025260.db2.gz ONFHORWPEXQFCB-GJZGRUSLSA-N 2 2 283.460 2.145 10 0 CEAELP CCCCCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693428 180025263 /nfs/dbraw/zinc/02/52/63/180025263.db2.gz ONFHORWPEXQFCB-GJZGRUSLSA-N 2 2 283.460 2.145 10 0 CEAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693303 180025542 /nfs/dbraw/zinc/02/55/42/180025542.db2.gz IPCVQWFEAZRORJ-GJZGRUSLSA-N 2 2 289.423 2.478 10 0 CEAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693303 180025545 /nfs/dbraw/zinc/02/55/45/180025545.db2.gz IPCVQWFEAZRORJ-GJZGRUSLSA-N 2 2 289.423 2.478 10 0 CEAELP Cc1ccc2c(c1)C[C@H](C[NH2+]CC[NH+]1CCCCC1)O2 ZINC000090897760 180056642 /nfs/dbraw/zinc/05/66/42/180056642.db2.gz LZFWUWHXLNCFJE-MRXNPFEDSA-N 2 2 274.408 2.374 10 0 CEAELP CCC[NH2+]CC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907533 180061813 /nfs/dbraw/zinc/06/18/13/180061813.db2.gz XVEWGOKFHBOIII-GASCZTMLSA-N 2 2 266.429 2.410 10 0 CEAELP CCC[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907533 180061815 /nfs/dbraw/zinc/06/18/15/180061815.db2.gz XVEWGOKFHBOIII-GASCZTMLSA-N 2 2 266.429 2.410 10 0 CEAELP CN(CC(C)(C)C)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276462 180119789 /nfs/dbraw/zinc/11/97/89/180119789.db2.gz VOXQQFDECFPJDA-GFCCVEGCSA-N 2 2 250.390 2.196 10 0 CEAELP CCCN(Cc1c[nH+]cn1C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000091277058 180120443 /nfs/dbraw/zinc/12/04/43/180120443.db2.gz MIFMGDGZWQSNEJ-CQSZACIVSA-N 2 2 262.401 2.182 10 0 CEAELP C[NH2+][C@H]1CCc2c1cccc2OCc1c[nH+]cn1C ZINC000091278459 180120940 /nfs/dbraw/zinc/12/09/40/180120940.db2.gz DXBDIIJUTCRGDY-AWEZNQCLSA-N 2 2 257.337 2.206 10 0 CEAELP Cc1ccc(C[N@H+](C)CC[C@@H]2CSCC[NH2+]2)o1 ZINC000091292019 180123720 /nfs/dbraw/zinc/12/37/20/180123720.db2.gz RUSYGKGZWDCLOC-GFCCVEGCSA-N 2 2 254.399 2.115 10 0 CEAELP Cc1ccc(C[N@@H+](C)CC[C@@H]2CSCC[NH2+]2)o1 ZINC000091292019 180123722 /nfs/dbraw/zinc/12/37/22/180123722.db2.gz RUSYGKGZWDCLOC-GFCCVEGCSA-N 2 2 254.399 2.115 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1CC(O)C1 ZINC000091461005 180161745 /nfs/dbraw/zinc/16/17/45/180161745.db2.gz JDPKNEFDXHGJDJ-RBJWDRSHSA-N 2 2 282.815 2.431 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC1CC(O)C1 ZINC000091461005 180161747 /nfs/dbraw/zinc/16/17/47/180161747.db2.gz JDPKNEFDXHGJDJ-RBJWDRSHSA-N 2 2 282.815 2.431 10 0 CEAELP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCN(c2nccs2)CC1 ZINC000091402436 180147474 /nfs/dbraw/zinc/14/74/74/180147474.db2.gz YIYQPXBRUHEGNL-ZDUSSCGKSA-N 2 2 296.484 2.289 10 0 CEAELP CC(C)([C@@H](N)Cc1cc[nH+]c(N)c1)[NH+]1CCCCCC1 ZINC000091567805 180194805 /nfs/dbraw/zinc/19/48/05/180194805.db2.gz QSQUAJTZQHJMKO-AWEZNQCLSA-N 2 2 276.428 2.188 10 0 CEAELP CC(C)([C@@H]([NH3+])Cc1cc[nH+]c(N)c1)N1CCCCCC1 ZINC000091567805 180194806 /nfs/dbraw/zinc/19/48/06/180194806.db2.gz QSQUAJTZQHJMKO-AWEZNQCLSA-N 2 2 276.428 2.188 10 0 CEAELP CC(C)([C@H](N)Cc1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091568001 180194943 /nfs/dbraw/zinc/19/49/43/180194943.db2.gz QOICDHSIIDSHQL-OAHLLOKOSA-N 2 2 276.428 2.188 10 0 CEAELP CC(C)([C@H]([NH3+])Cc1c[nH+]ccc1N)N1CCCCCC1 ZINC000091568001 180194945 /nfs/dbraw/zinc/19/49/45/180194945.db2.gz QOICDHSIIDSHQL-OAHLLOKOSA-N 2 2 276.428 2.188 10 0 CEAELP CC[C@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091606166 180204641 /nfs/dbraw/zinc/20/46/41/180204641.db2.gz QTJUORBCXIPAEL-HZPDHXFCSA-N 3 2 276.428 2.059 10 0 CEAELP CC[C@](C)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)N1CCCC1 ZINC000091606166 180204643 /nfs/dbraw/zinc/20/46/43/180204643.db2.gz QTJUORBCXIPAEL-HZPDHXFCSA-N 2 2 276.428 2.059 10 0 CEAELP CC[C@@](C)([C@@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCCC1 ZINC000091608487 180205541 /nfs/dbraw/zinc/20/55/41/180205541.db2.gz MGIFBLUHULQLPM-HOCLYGCPSA-N 2 2 277.412 2.222 10 0 CEAELP C[NH2+][C@@H](Cc1cc(F)ccc1F)C(C)(C)[NH+](C)C ZINC000091528711 180180719 /nfs/dbraw/zinc/18/07/19/180180719.db2.gz ASFWCDAWWGOCNO-ZDUSSCGKSA-N 2 2 256.340 2.436 10 0 CEAELP CCC(CC)([C@H](O)Cc1cc[nH+]c(N)c1)[NH+]1CCCC1 ZINC000091634456 180210445 /nfs/dbraw/zinc/21/04/45/180210445.db2.gz NTIVPCNKLFMLGF-CQSZACIVSA-N 2 2 277.412 2.222 10 0 CEAELP CCC(CC)([C@@H](Cc1c[nH+]ccc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091635100 180210921 /nfs/dbraw/zinc/21/09/21/180210921.db2.gz WPIDZFAMPVLLOR-MRXNPFEDSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH+](CC)C1([C@@H](N)c2c[nH+]ccc2N)CCCC1 ZINC000091639171 180211948 /nfs/dbraw/zinc/21/19/48/180211948.db2.gz ZQXBYNSUKCYIEJ-AWEZNQCLSA-N 2 2 262.401 2.318 10 0 CEAELP [NH3+][C@@H]([C@@H]1CCOC1)C1([NH+]2CCCCC2)CCCC1 ZINC000091641833 180213411 /nfs/dbraw/zinc/21/34/11/180213411.db2.gz DLISJRKMHDDZHO-KGLIPLIRSA-N 2 2 252.402 2.149 10 0 CEAELP CC1CCC(C(=O)c2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648304 180215481 /nfs/dbraw/zinc/21/54/81/180215481.db2.gz ZXEDPYAGZXHLEQ-UHFFFAOYSA-N 2 2 261.369 2.357 10 0 CEAELP CC[NH2+][C@@H](Cc1cc(C)ccc1OC)C[NH+](C)C ZINC000091719712 180234409 /nfs/dbraw/zinc/23/44/09/180234409.db2.gz WJYJMIAHDAGVNJ-AWEZNQCLSA-N 2 2 250.386 2.086 10 0 CEAELP COc1ccc(Cl)cc1[C@H]([NH3+])[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720663 180235438 /nfs/dbraw/zinc/23/54/38/180235438.db2.gz PJSWCSRBIQTXPM-DFBGVHRSSA-N 2 2 296.798 2.212 10 0 CEAELP COc1ccc(Cl)cc1[C@H]([NH3+])[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720663 180235441 /nfs/dbraw/zinc/23/54/41/180235441.db2.gz PJSWCSRBIQTXPM-DFBGVHRSSA-N 2 2 296.798 2.212 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000091780869 180253756 /nfs/dbraw/zinc/25/37/56/180253756.db2.gz BFMAIKLPXLCABT-NWDGAFQWSA-N 2 2 280.368 2.059 10 0 CEAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000091780869 180253758 /nfs/dbraw/zinc/25/37/58/180253758.db2.gz BFMAIKLPXLCABT-NWDGAFQWSA-N 2 2 280.368 2.059 10 0 CEAELP C[N@@H+]1CCO[C@@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054513 180314270 /nfs/dbraw/zinc/31/42/70/180314270.db2.gz PUIZUWGZKDZKHO-OAHLLOKOSA-N 2 2 292.423 2.284 10 0 CEAELP C[N@H+]1CCO[C@@H](COc2ccccc2C[NH2+]C(C)(C)C)C1 ZINC000092054513 180314272 /nfs/dbraw/zinc/31/42/72/180314272.db2.gz PUIZUWGZKDZKHO-OAHLLOKOSA-N 2 2 292.423 2.284 10 0 CEAELP C[C@H](C[NH2+]C[C@H]1CSc2ccccc21)[NH+](C)C ZINC000092275333 180356673 /nfs/dbraw/zinc/35/66/73/180356673.db2.gz BUPLYWQZARQNCX-NEPJUHHUSA-N 2 2 250.411 2.416 10 0 CEAELP C[N@H+](CC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863492 186081311 /nfs/dbraw/zinc/08/13/11/186081311.db2.gz WAISXLYYXPOPTO-UHFFFAOYSA-N 2 2 290.455 2.470 10 0 CEAELP C[N@@H+](CC1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863492 186081313 /nfs/dbraw/zinc/08/13/13/186081313.db2.gz WAISXLYYXPOPTO-UHFFFAOYSA-N 2 2 290.455 2.470 10 0 CEAELP COc1cccc([C@@H](C[NH3+])[NH2+]Cc2ccccc2)c1 ZINC000106024187 186098177 /nfs/dbraw/zinc/09/81/77/186098177.db2.gz XYOWXZDDQYHJAD-MRXNPFEDSA-N 2 2 256.349 2.485 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)n1 ZINC000092366828 180369167 /nfs/dbraw/zinc/36/91/67/180369167.db2.gz DXIYLLFUQMTMOP-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1cccc(Cl)n1 ZINC000092366828 180369169 /nfs/dbraw/zinc/36/91/69/180369169.db2.gz DXIYLLFUQMTMOP-WDEREUQCSA-N 2 2 253.777 2.294 10 0 CEAELP NNc1cccc(Cn2cc[nH+]c2-c2ccccc2)[nH+]1 ZINC000092370974 180369994 /nfs/dbraw/zinc/36/99/94/180369994.db2.gz FIUKIMVMCSIEPF-UHFFFAOYSA-N 2 2 265.320 2.279 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000105897624 186086228 /nfs/dbraw/zinc/08/62/28/186086228.db2.gz OKNGMJYLECNECJ-ZDUSSCGKSA-N 2 2 273.384 2.016 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000105897624 186086230 /nfs/dbraw/zinc/08/62/30/186086230.db2.gz OKNGMJYLECNECJ-ZDUSSCGKSA-N 2 2 273.384 2.016 10 0 CEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1Cc1cc(Cl)ccn1 ZINC000092417388 180381054 /nfs/dbraw/zinc/38/10/54/180381054.db2.gz ZSBHVMKWNMMUCF-LERXQTSPSA-N 2 2 265.788 2.165 10 0 CEAELP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@H+]1Cc1cc(Cl)ccn1 ZINC000092417388 180381057 /nfs/dbraw/zinc/38/10/57/180381057.db2.gz ZSBHVMKWNMMUCF-LERXQTSPSA-N 2 2 265.788 2.165 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([N@H+](C)C1CC1)CCC2 ZINC000092384605 180373680 /nfs/dbraw/zinc/37/36/80/180373680.db2.gz POHJXKIGIPJETP-MRXNPFEDSA-N 2 2 260.381 2.280 10 0 CEAELP COc1ccc2c(c1)[C@@](C[NH3+])([N@@H+](C)C1CC1)CCC2 ZINC000092384605 180373681 /nfs/dbraw/zinc/37/36/81/180373681.db2.gz POHJXKIGIPJETP-MRXNPFEDSA-N 2 2 260.381 2.280 10 0 CEAELP C[C@@H]1C[C@H]([NH3+])Cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000107827779 186193871 /nfs/dbraw/zinc/19/38/71/186193871.db2.gz GMUYDFTUVYCKDC-KOLCDFICSA-N 2 2 271.320 2.113 10 0 CEAELP COc1ccccc1-c1cn2c([nH+]1)[C@H](C)C[C@H]([NH3+])C2 ZINC000107827749 186194826 /nfs/dbraw/zinc/19/48/26/186194826.db2.gz YNDDSXBFTFDTIQ-MNOVXSKESA-N 2 2 257.337 2.393 10 0 CEAELP CCOc1cc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)ccc1O ZINC000110937003 186334379 /nfs/dbraw/zinc/33/43/79/186334379.db2.gz MPNVFQQXABMUTL-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CCOc1cc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)ccc1O ZINC000110937003 186334380 /nfs/dbraw/zinc/33/43/80/186334380.db2.gz MPNVFQQXABMUTL-AWEZNQCLSA-N 2 2 278.396 2.365 10 0 CEAELP CC[N@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110943474 186335520 /nfs/dbraw/zinc/33/55/20/186335520.db2.gz UZRGAELLNOVPDE-HNNXBMFYSA-N 2 2 276.380 2.047 10 0 CEAELP CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]C1 ZINC000110943474 186335522 /nfs/dbraw/zinc/33/55/22/186335522.db2.gz UZRGAELLNOVPDE-HNNXBMFYSA-N 2 2 276.380 2.047 10 0 CEAELP CCC[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945672 186335974 /nfs/dbraw/zinc/33/59/74/186335974.db2.gz JAPBWSFGPSXUMC-HZPDHXFCSA-N 2 2 262.397 2.184 10 0 CEAELP CCC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110945672 186335976 /nfs/dbraw/zinc/33/59/76/186335976.db2.gz JAPBWSFGPSXUMC-HZPDHXFCSA-N 2 2 262.397 2.184 10 0 CEAELP CCOc1cccc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)c1 ZINC000111159320 186361850 /nfs/dbraw/zinc/36/18/50/186361850.db2.gz MHOPAEOYTFZRPQ-KRWDZBQOSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1cccc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)c1 ZINC000111159320 186361852 /nfs/dbraw/zinc/36/18/52/186361852.db2.gz MHOPAEOYTFZRPQ-KRWDZBQOSA-N 2 2 292.423 2.444 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@H+](C)CC1CCOCC1 ZINC000111156095 186362049 /nfs/dbraw/zinc/36/20/49/186362049.db2.gz HVVDYEBNCPQJBD-BXUZGUMPSA-N 2 2 268.426 2.495 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@@H+](C)CC1CCOCC1 ZINC000111156095 186362051 /nfs/dbraw/zinc/36/20/51/186362051.db2.gz HVVDYEBNCPQJBD-BXUZGUMPSA-N 2 2 268.426 2.495 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)C[C@@H]2CCCOC2)ccc1F ZINC000111157688 186362749 /nfs/dbraw/zinc/36/27/49/186362749.db2.gz ZEJOIUVWEQBXMT-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)C[C@@H]2CCCOC2)ccc1F ZINC000111157688 186362751 /nfs/dbraw/zinc/36/27/51/186362751.db2.gz ZEJOIUVWEQBXMT-BBRMVZONSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc(C)c(C[NH2+]C2CC2)c(N(C)CCC[NH+](C)C)[nH+]1 ZINC000111149206 186358590 /nfs/dbraw/zinc/35/85/90/186358590.db2.gz ANIMCNDQXPFSLX-UHFFFAOYSA-N 3 2 290.455 2.338 10 0 CEAELP CC[NH2+][C@H](CC[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000111148106 186358708 /nfs/dbraw/zinc/35/87/08/186358708.db2.gz VWILVIBYWCBAJH-CQSZACIVSA-N 3 2 257.466 2.284 10 0 CEAELP CC[NH2+][C@H](CC[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000111148106 186358709 /nfs/dbraw/zinc/35/87/09/186358709.db2.gz VWILVIBYWCBAJH-CQSZACIVSA-N 3 2 257.466 2.284 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)CCC[NH+](C)C ZINC000111147531 186359484 /nfs/dbraw/zinc/35/94/84/186359484.db2.gz YTARXZGKHCYODY-HNNXBMFYSA-N 3 2 257.466 2.284 10 0 CEAELP CC[C@@](C)(C[NH2+]C(C)C)C[N@@H+](C)CCC[NH+](C)C ZINC000111147531 186359486 /nfs/dbraw/zinc/35/94/86/186359486.db2.gz YTARXZGKHCYODY-HNNXBMFYSA-N 3 2 257.466 2.284 10 0 CEAELP Cc1oc(C[N@@H+](C)CCC[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000111150278 186359691 /nfs/dbraw/zinc/35/96/91/186359691.db2.gz POEAUNDMUOQWFT-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP Cc1oc(C[N@H+](C)CCC[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000111150278 186359693 /nfs/dbraw/zinc/35/96/93/186359693.db2.gz POEAUNDMUOQWFT-UHFFFAOYSA-N 3 2 279.428 2.224 10 0 CEAELP CC[N@H+](Cc1cccs1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320887 186397503 /nfs/dbraw/zinc/39/75/03/186397503.db2.gz OSEQUIFPXXZKEW-OCCSQVGLSA-N 2 2 268.426 2.324 10 0 CEAELP CC[N@@H+](Cc1cccs1)[C@@H](C[NH3+])[C@@H]1CCCOC1 ZINC000111320887 186397505 /nfs/dbraw/zinc/39/75/05/186397505.db2.gz OSEQUIFPXXZKEW-OCCSQVGLSA-N 2 2 268.426 2.324 10 0 CEAELP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccc2F)CCCOC1 ZINC000111327664 186399753 /nfs/dbraw/zinc/39/97/53/186399753.db2.gz DUOJEVNMCZRGCH-MRXNPFEDSA-N 2 2 280.387 2.274 10 0 CEAELP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccc2F)CCCOC1 ZINC000111327664 186399754 /nfs/dbraw/zinc/39/97/54/186399754.db2.gz DUOJEVNMCZRGCH-MRXNPFEDSA-N 2 2 280.387 2.274 10 0 CEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCOc3ccccc32)n1C ZINC000070143346 363037093 /nfs/dbraw/zinc/03/70/93/363037093.db2.gz WOZSRPZMJDMFJQ-CQSZACIVSA-N 2 2 286.379 2.100 10 0 CEAELP COc1ccc(-c2nc(N3CCC([NH3+])CC3)cc(C)[nH+]2)cc1 ZINC000070451830 363083439 /nfs/dbraw/zinc/08/34/39/363083439.db2.gz XNAZTUKDPJWYLP-UHFFFAOYSA-N 2 2 298.390 2.388 10 0 CEAELP CO[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630359311 351710657 /nfs/dbraw/zinc/71/06/57/351710657.db2.gz FNEKESSXOFEYIZ-LSDHHAIUSA-N 2 2 298.814 2.157 10 0 CEAELP CO[C@@H]1C[N@@H+](CCOc2cccc(Cl)c2)[C@@](C)(C[NH3+])C1 ZINC000630359311 351710658 /nfs/dbraw/zinc/71/06/58/351710658.db2.gz FNEKESSXOFEYIZ-LSDHHAIUSA-N 2 2 298.814 2.157 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000133673414 366246905 /nfs/dbraw/zinc/24/69/05/366246905.db2.gz OJGSVTKDCIJMKR-LUCZXWKPSA-N 2 2 278.440 2.168 10 0 CEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000310567980 540344582 /nfs/dbraw/zinc/34/45/82/540344582.db2.gz YIGXGRRADSJPPT-ZJUUUORDSA-N 2 2 276.833 2.365 10 0 CEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000310567980 540344585 /nfs/dbraw/zinc/34/45/85/540344585.db2.gz YIGXGRRADSJPPT-ZJUUUORDSA-N 2 2 276.833 2.365 10 0 CEAELP Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000151338334 366640330 /nfs/dbraw/zinc/64/03/30/366640330.db2.gz ASMPRWBLUXYQQQ-KGLIPLIRSA-N 2 2 266.385 2.085 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000178319085 189106640 /nfs/dbraw/zinc/10/66/40/189106640.db2.gz FAVLMIMJCWACCI-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000178319085 189106641 /nfs/dbraw/zinc/10/66/41/189106641.db2.gz FAVLMIMJCWACCI-ZDUSSCGKSA-N 2 2 289.383 2.363 10 0 CEAELP CCC[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000180566755 189262544 /nfs/dbraw/zinc/26/25/44/189262544.db2.gz ADQLAFYURKXWFO-QWHCGFSZSA-N 2 2 277.416 2.265 10 0 CEAELP c1ccc(NC[C@H]2CC[N@H+](CC3=CCCOC3)C2)[nH+]c1 ZINC000092812850 364110146 /nfs/dbraw/zinc/11/01/46/364110146.db2.gz VUKOMKVVAHZBGB-CQSZACIVSA-N 2 2 273.380 2.162 10 0 CEAELP c1ccc(NC[C@H]2CC[N@@H+](CC3=CCCOC3)C2)[nH+]c1 ZINC000092812850 364110153 /nfs/dbraw/zinc/11/01/53/364110153.db2.gz VUKOMKVVAHZBGB-CQSZACIVSA-N 2 2 273.380 2.162 10 0 CEAELP Cc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000116261989 365045808 /nfs/dbraw/zinc/04/58/08/365045808.db2.gz FOZQGMSKISBTDL-GXTWGEPZSA-N 2 2 272.396 2.335 10 0 CEAELP Cc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000116261989 365045812 /nfs/dbraw/zinc/04/58/12/365045812.db2.gz FOZQGMSKISBTDL-GXTWGEPZSA-N 2 2 272.396 2.335 10 0 CEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779032 367943811 /nfs/dbraw/zinc/94/38/11/367943811.db2.gz AAGSHQIDJUBZII-KGLIPLIRSA-N 2 2 291.395 2.157 10 0 CEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779032 367943815 /nfs/dbraw/zinc/94/38/15/367943815.db2.gz AAGSHQIDJUBZII-KGLIPLIRSA-N 2 2 291.395 2.157 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183230731 368618629 /nfs/dbraw/zinc/61/86/29/368618629.db2.gz KUBPGLBBYPXAQH-XJKSGUPXSA-N 2 2 262.397 2.314 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(CO)c2)C1 ZINC000183230731 368618635 /nfs/dbraw/zinc/61/86/35/368618635.db2.gz KUBPGLBBYPXAQH-XJKSGUPXSA-N 2 2 262.397 2.314 10 0 CEAELP O[C@@]12CCCC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000246015797 370899974 /nfs/dbraw/zinc/89/99/74/370899974.db2.gz ZKYZMRYLRXYKMW-WMLDXEAASA-N 2 2 285.391 2.461 10 0 CEAELP O[C@@]12CCCC[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000246015797 370899977 /nfs/dbraw/zinc/89/99/77/370899977.db2.gz ZKYZMRYLRXYKMW-WMLDXEAASA-N 2 2 285.391 2.461 10 0 CEAELP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400442673 296134132 /nfs/dbraw/zinc/13/41/32/296134132.db2.gz MUONQSVPAZMOTE-FPCVCCKLSA-N 3 2 267.461 2.085 10 0 CEAELP CC(C)n1ncc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cnc21 ZINC000193616863 369962772 /nfs/dbraw/zinc/96/27/72/369962772.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 2 299.422 2.006 10 0 CEAELP CC(C)n1ncc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cnc21 ZINC000193616863 369962773 /nfs/dbraw/zinc/96/27/73/369962773.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 2 299.422 2.006 10 0 CEAELP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cnc21 ZINC000193616863 369962775 /nfs/dbraw/zinc/96/27/75/369962775.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 2 299.422 2.006 10 0 CEAELP CC(C)n1ncc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cnc21 ZINC000193616863 369962776 /nfs/dbraw/zinc/96/27/76/369962776.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 2 299.422 2.006 10 0 CEAELP COc1cc(C)[nH+]c(CN[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000214142636 370171302 /nfs/dbraw/zinc/17/13/02/370171302.db2.gz LRLDZOGMWMFLNF-HNNXBMFYSA-N 2 2 279.428 2.465 10 0 CEAELP COc1c(C)cnc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c1C ZINC000220426754 370233400 /nfs/dbraw/zinc/23/34/00/370233400.db2.gz GCEQPFUIORWGBP-AWEZNQCLSA-N 2 2 277.412 2.138 10 0 CEAELP COc1c(C)cnc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c1C ZINC000220426754 370233402 /nfs/dbraw/zinc/23/34/02/370233402.db2.gz GCEQPFUIORWGBP-AWEZNQCLSA-N 2 2 277.412 2.138 10 0 CEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000247103919 371065085 /nfs/dbraw/zinc/06/50/85/371065085.db2.gz KSORZLTWCBFTQW-KFWWJZLASA-N 2 2 252.402 2.114 10 0 CEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000247103919 371065091 /nfs/dbraw/zinc/06/50/91/371065091.db2.gz KSORZLTWCBFTQW-KFWWJZLASA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247103919 371065093 /nfs/dbraw/zinc/06/50/93/371065093.db2.gz KSORZLTWCBFTQW-KFWWJZLASA-N 2 2 252.402 2.114 10 0 CEAELP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247103919 371065096 /nfs/dbraw/zinc/06/50/96/371065096.db2.gz KSORZLTWCBFTQW-KFWWJZLASA-N 2 2 252.402 2.114 10 0 CEAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CCCCC2)C1 ZINC000639266235 371166013 /nfs/dbraw/zinc/16/60/13/371166013.db2.gz JOYTVGGTAUUSMS-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CCCCC2)C1 ZINC000639266235 371166014 /nfs/dbraw/zinc/16/60/14/371166014.db2.gz JOYTVGGTAUUSMS-CABCVRRESA-N 2 2 254.418 2.266 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261933950 371777365 /nfs/dbraw/zinc/77/73/65/371777365.db2.gz DAUYDCJIMHSENH-ACJLOTCBSA-N 2 2 298.434 2.327 10 0 CEAELP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261933950 371777366 /nfs/dbraw/zinc/77/73/66/371777366.db2.gz DAUYDCJIMHSENH-ACJLOTCBSA-N 2 2 298.434 2.327 10 0 CEAELP c1ccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371780018 /nfs/dbraw/zinc/78/00/18/371780018.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371780021 /nfs/dbraw/zinc/78/00/21/371780021.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371780030 /nfs/dbraw/zinc/78/00/30/371780030.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 3 2 299.462 2.050 10 0 CEAELP c1ccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371780039 /nfs/dbraw/zinc/78/00/39/371780039.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 3 2 299.462 2.050 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1[NH3+] ZINC000262090521 371821389 /nfs/dbraw/zinc/82/13/89/371821389.db2.gz USWLHFOVEYPWRN-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1[NH3+] ZINC000262090521 371821392 /nfs/dbraw/zinc/82/13/92/371821392.db2.gz USWLHFOVEYPWRN-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP [NH3+]Cc1nc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)no1 ZINC000262251318 371841826 /nfs/dbraw/zinc/84/18/26/371841826.db2.gz QCUPGFWDNMKGFA-OAHLLOKOSA-N 2 2 290.342 2.298 10 0 CEAELP C[N@H+](Cc1cc(F)cc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262107583 220222624 /nfs/dbraw/zinc/22/26/24/220222624.db2.gz WDCZKSGTBBBEBW-AWEZNQCLSA-N 2 2 254.324 2.396 10 0 CEAELP C[N@@H+](Cc1cc(F)cc(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262107583 220222627 /nfs/dbraw/zinc/22/26/27/220222627.db2.gz WDCZKSGTBBBEBW-AWEZNQCLSA-N 2 2 254.324 2.396 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000389300356 375301839 /nfs/dbraw/zinc/30/18/39/375301839.db2.gz ZLKGFSJYQXYJJU-ZDUSSCGKSA-N 2 2 274.368 2.162 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000389300356 375301844 /nfs/dbraw/zinc/30/18/44/375301844.db2.gz ZLKGFSJYQXYJJU-ZDUSSCGKSA-N 2 2 274.368 2.162 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)C12CCCC2 ZINC000389438650 375304180 /nfs/dbraw/zinc/30/41/80/375304180.db2.gz NGDDXNRNYXXHDA-RRFJBIMHSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C12CCCC2 ZINC000389438650 375304185 /nfs/dbraw/zinc/30/41/85/375304185.db2.gz NGDDXNRNYXXHDA-RRFJBIMHSA-N 2 2 266.429 2.408 10 0 CEAELP c1cn2c(cccc2C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000188411922 542321674 /nfs/dbraw/zinc/32/16/74/542321674.db2.gz ICQNWIAJFAMARU-AWEZNQCLSA-N 2 2 281.363 2.195 10 0 CEAELP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000188411922 542321678 /nfs/dbraw/zinc/32/16/78/542321678.db2.gz ICQNWIAJFAMARU-AWEZNQCLSA-N 2 2 281.363 2.195 10 0 CEAELP CCn1cc[nH+]c1C[C@@H]([NH2+]C)C1Cc2ccccc2C1 ZINC000094162173 184758116 /nfs/dbraw/zinc/75/81/16/184758116.db2.gz YZKXXBKVADZRPB-MRXNPFEDSA-N 2 2 269.392 2.449 10 0 CEAELP C[C@@H]1CCC[C@](C[NH2+][C@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000252761797 296494205 /nfs/dbraw/zinc/49/42/05/296494205.db2.gz DLOBCOOWXQESFX-PMPSAXMXSA-N 3 2 267.461 2.229 10 0 CEAELP [NH3+][C@@H]1CC[C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000093206390 135079619 /nfs/dbraw/zinc/07/96/19/135079619.db2.gz SMUVZUVCCBCDJC-CHWSQXEVSA-N 2 2 260.385 2.364 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@H+](CC2CCCCCC2)CCO1 ZINC000128228522 394853748 /nfs/dbraw/zinc/85/37/48/394853748.db2.gz UKBWYYKQVUZIBL-OAHLLOKOSA-N 2 2 254.418 2.219 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1 ZINC000128228522 394853751 /nfs/dbraw/zinc/85/37/51/394853751.db2.gz UKBWYYKQVUZIBL-OAHLLOKOSA-N 2 2 254.418 2.219 10 0 CEAELP CCO[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1C[NH3+] ZINC000405386662 395288923 /nfs/dbraw/zinc/28/89/23/395288923.db2.gz PUCPJIMNNLQXNO-UKRRQHHQSA-N 2 2 271.364 2.035 10 0 CEAELP C[C@H]([NH2+]Cc1cnc[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174651456 165112373 /nfs/dbraw/zinc/11/23/73/165112373.db2.gz CEQQDBBXRIYXID-LBPRGKRZSA-N 2 2 267.336 2.446 10 0 CEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183176142 165386705 /nfs/dbraw/zinc/38/67/05/165386705.db2.gz IGQUKFMSTQJJGF-HNNXBMFYSA-N 2 2 287.411 2.461 10 0 CEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183176142 165386706 /nfs/dbraw/zinc/38/67/06/165386706.db2.gz IGQUKFMSTQJJGF-HNNXBMFYSA-N 2 2 287.411 2.461 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C(C)C)c(OC)c1 ZINC000022167743 171366875 /nfs/dbraw/zinc/36/68/75/171366875.db2.gz SLWVQTKUVPWDKA-ZDUSSCGKSA-N 2 2 252.358 2.044 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C(C)C)c(OC)c1 ZINC000022167743 171366876 /nfs/dbraw/zinc/36/68/76/171366876.db2.gz SLWVQTKUVPWDKA-ZDUSSCGKSA-N 2 2 252.358 2.044 10 0 CEAELP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+](C)C)CCO2 ZINC000037213725 173034914 /nfs/dbraw/zinc/03/49/14/173034914.db2.gz MIJWEXSWOXCHSK-AWEZNQCLSA-N 2 2 264.369 2.060 10 0 CEAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)CC1 ZINC000039174829 174165187 /nfs/dbraw/zinc/16/51/87/174165187.db2.gz PUHNVNHYGXSXBN-ZDUSSCGKSA-N 2 2 262.353 2.147 10 0 CEAELP CCN1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000040502829 174299434 /nfs/dbraw/zinc/29/94/34/174299434.db2.gz DXOVPGFONMYUFT-INIZCTEOSA-N 2 2 284.407 2.446 10 0 CEAELP CCOc1cc(C[NH2+]CCc2[nH+]ccn2C)ccc1OC ZINC000040638915 174363163 /nfs/dbraw/zinc/36/31/63/174363163.db2.gz MUGCXLLKVVCCHH-UHFFFAOYSA-N 2 2 289.379 2.160 10 0 CEAELP CCOC1CC[NH+](C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000040690192 174376887 /nfs/dbraw/zinc/37/68/87/174376887.db2.gz ANNTYFBDXFLJMU-OAHLLOKOSA-N 2 2 262.397 2.057 10 0 CEAELP Cc1[nH+]cc(C[NH2+][C@H]2CCOc3ccccc32)n1C ZINC000657288390 414833502 /nfs/dbraw/zinc/83/35/02/414833502.db2.gz AFYAQGKYUSDPAY-AWEZNQCLSA-N 2 2 257.337 2.342 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[NH+]1CCC(O)CC1 ZINC000042913027 174911134 /nfs/dbraw/zinc/91/11/34/174911134.db2.gz OBOXZBGLXQUQEO-HUUCEWRRSA-N 2 2 266.360 2.061 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+]1CCCSCC1 ZINC000043335654 175011246 /nfs/dbraw/zinc/01/12/46/175011246.db2.gz OKZKVGCLBMOMGF-DGCLKSJQSA-N 2 2 254.399 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+]1CCCSCC1 ZINC000043335654 175011248 /nfs/dbraw/zinc/01/12/48/175011248.db2.gz OKZKVGCLBMOMGF-DGCLKSJQSA-N 2 2 254.399 2.497 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@H+](CCO)C1CCCCC1 ZINC000043340843 175014609 /nfs/dbraw/zinc/01/46/09/175014609.db2.gz KGILPGZHJAXIMN-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP C[C@@H]([NH3+])[C@@H](c1ccccn1)[N@@H+](CCO)C1CCCCC1 ZINC000043340843 175014610 /nfs/dbraw/zinc/01/46/10/175014610.db2.gz KGILPGZHJAXIMN-CJNGLKHVSA-N 2 2 277.412 2.097 10 0 CEAELP Cc1[nH+]c2ccccc2n1[C@@H](C[NH3+])c1cccnc1 ZINC000043348788 175018315 /nfs/dbraw/zinc/01/83/15/175018315.db2.gz SBDBIJZNXFGCGT-HNNXBMFYSA-N 2 2 252.321 2.288 10 0 CEAELP COC1CC[NH+]([C@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043364101 175024974 /nfs/dbraw/zinc/02/49/74/175024974.db2.gz KXOIUGQGILYZPV-FZMZJTMJSA-N 2 2 252.358 2.087 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363837 175024988 /nfs/dbraw/zinc/02/49/88/175024988.db2.gz WSPQHPKCAJLBHX-GUTXKFCHSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2CCCC[C@@H]2CCO)o1 ZINC000043363837 175024989 /nfs/dbraw/zinc/02/49/89/175024989.db2.gz WSPQHPKCAJLBHX-GUTXKFCHSA-N 2 2 266.385 2.213 10 0 CEAELP C[NH2+][C@@H]1CCC2(C[C@H]1[NH+]1CCCCCCC1)OCCO2 ZINC000043819098 175113727 /nfs/dbraw/zinc/11/37/27/175113727.db2.gz SHVIBJNRFAVOOP-HUUCEWRRSA-N 2 2 282.428 2.136 10 0 CEAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1[N@H+](C)CCOC ZINC000043916100 175124815 /nfs/dbraw/zinc/12/48/15/175124815.db2.gz VOUIYVPCSTUJKY-SJORKVTESA-N 2 2 292.423 2.239 10 0 CEAELP CC[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1[N@@H+](C)CCOC ZINC000043916100 175124817 /nfs/dbraw/zinc/12/48/17/175124817.db2.gz VOUIYVPCSTUJKY-SJORKVTESA-N 2 2 292.423 2.239 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@@H+]1CCOCC1(C)C ZINC000043916649 175125720 /nfs/dbraw/zinc/12/57/20/175125720.db2.gz RVKLUIUZTLOEMU-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H]1CCCCCC[C@H]1[N@H+]1CCOCC1(C)C ZINC000043916649 175125722 /nfs/dbraw/zinc/12/57/22/175125722.db2.gz RVKLUIUZTLOEMU-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000043965891 175127407 /nfs/dbraw/zinc/12/74/07/175127407.db2.gz LZKGFCTUWIQTGC-COXVUDFISA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1 ZINC000043965891 175127408 /nfs/dbraw/zinc/12/74/08/175127408.db2.gz LZKGFCTUWIQTGC-COXVUDFISA-N 2 2 292.423 2.455 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@H+](C)CC1CCCCC1)OCCO2 ZINC000043968234 175129404 /nfs/dbraw/zinc/12/94/04/175129404.db2.gz UPQXOEHFRHKSDH-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP C[NH2+][C@H]1CCC2(C[C@H]1[N@@H+](C)CC1CCCCC1)OCCO2 ZINC000043968234 175129405 /nfs/dbraw/zinc/12/94/05/175129405.db2.gz UPQXOEHFRHKSDH-JKSUJKDBSA-N 2 2 296.455 2.382 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969886 175131169 /nfs/dbraw/zinc/13/11/69/175131169.db2.gz AZTOKYNMIONGAP-SNPRPXQTSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969886 175131171 /nfs/dbraw/zinc/13/11/71/175131171.db2.gz AZTOKYNMIONGAP-SNPRPXQTSA-N 2 2 254.418 2.264 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@H+](CCOC)C1CC1 ZINC000043969816 175131259 /nfs/dbraw/zinc/13/12/59/175131259.db2.gz UPYJAAYHJPVEHG-IAGOWNOFSA-N 2 2 274.408 2.373 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CC[C@H]1[N@@H+](CCOC)C1CC1 ZINC000043969816 175131261 /nfs/dbraw/zinc/13/12/61/175131261.db2.gz UPYJAAYHJPVEHG-IAGOWNOFSA-N 2 2 274.408 2.373 10 0 CEAELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000045135127 175312692 /nfs/dbraw/zinc/31/26/92/175312692.db2.gz IVBNUTGENZLYDU-NSHDSACASA-N 2 2 272.343 2.098 10 0 CEAELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000045135127 175312694 /nfs/dbraw/zinc/31/26/94/175312694.db2.gz IVBNUTGENZLYDU-NSHDSACASA-N 2 2 272.343 2.098 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367928 175363008 /nfs/dbraw/zinc/36/30/08/175363008.db2.gz OZKWUKFUELNNIT-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@](C)(CCC[N@H+]1CCC[C@@H]1C)C(=O)OCC ZINC000045367928 175363009 /nfs/dbraw/zinc/36/30/09/175363009.db2.gz OZKWUKFUELNNIT-DZGCQCFKSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1CCCCC1)C(=O)OCC ZINC000045378343 175367555 /nfs/dbraw/zinc/36/75/55/175367555.db2.gz AINUZQZJLMNAQR-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000070941038 176014771 /nfs/dbraw/zinc/01/47/71/176014771.db2.gz PCSXNMKTGNJGRR-UHFFFAOYSA-N 2 2 254.337 2.234 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1cnn(C)c1 ZINC000071161852 176046114 /nfs/dbraw/zinc/04/61/14/176046114.db2.gz VMKXXHDUVCEEBP-HUUCEWRRSA-N 2 2 264.417 2.150 10 0 CEAELP CC[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1cnn(C)c1 ZINC000071161852 176046116 /nfs/dbraw/zinc/04/61/16/176046116.db2.gz VMKXXHDUVCEEBP-HUUCEWRRSA-N 2 2 264.417 2.150 10 0 CEAELP C[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191355 176070753 /nfs/dbraw/zinc/07/07/53/176070753.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000071191355 176070754 /nfs/dbraw/zinc/07/07/54/176070754.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191355 176070756 /nfs/dbraw/zinc/07/07/56/176070756.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 3 2 275.440 2.221 10 0 CEAELP C[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000071191355 176070758 /nfs/dbraw/zinc/07/07/58/176070758.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 3 2 275.440 2.221 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199364 176077202 /nfs/dbraw/zinc/07/72/02/176077202.db2.gz SZFXQHXJJPZDKU-JKSUJKDBSA-N 2 2 272.392 2.207 10 0 CEAELP c1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199364 176077203 /nfs/dbraw/zinc/07/72/03/176077203.db2.gz SZFXQHXJJPZDKU-JKSUJKDBSA-N 2 2 272.392 2.207 10 0 CEAELP CC[N@H+]([C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000071311993 176118970 /nfs/dbraw/zinc/11/89/70/176118970.db2.gz NNPARFNNTHKESG-WCQYABFASA-N 2 2 262.353 2.160 10 0 CEAELP CC[N@@H+]([C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000071311993 176118972 /nfs/dbraw/zinc/11/89/72/176118972.db2.gz NNPARFNNTHKESG-WCQYABFASA-N 2 2 262.353 2.160 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356191 176136672 /nfs/dbraw/zinc/13/66/72/176136672.db2.gz QPSFUJFOUUCYLX-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356191 176136674 /nfs/dbraw/zinc/13/66/74/176136674.db2.gz QPSFUJFOUUCYLX-KBPBESRZSA-N 2 2 254.418 2.266 10 0 CEAELP c1ccc2[nH+]c(N3CC[N@H+]4CCCC[C@@H]4C3)[nH]c2c1 ZINC000270547493 275068929 /nfs/dbraw/zinc/06/89/29/275068929.db2.gz FCRWTDRQZITOER-GFCCVEGCSA-N 2 2 256.353 2.237 10 0 CEAELP c1ccc2[nH+]c(N3CC[N@@H+]4CCCC[C@@H]4C3)[nH]c2c1 ZINC000270547493 275068931 /nfs/dbraw/zinc/06/89/31/275068931.db2.gz FCRWTDRQZITOER-GFCCVEGCSA-N 2 2 256.353 2.237 10 0 CEAELP CC[NH+](CC)CCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000037211039 276325655 /nfs/dbraw/zinc/32/56/55/276325655.db2.gz MUVCTKWMTQFMTC-OAHLLOKOSA-N 2 2 289.423 2.416 10 0 CEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000133708450 278294809 /nfs/dbraw/zinc/29/48/09/278294809.db2.gz HBBHGNZVWXIGLU-WTIISPKJSA-N 2 2 294.361 2.464 10 0 CEAELP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000262115728 288195923 /nfs/dbraw/zinc/19/59/23/288195923.db2.gz WWJSKFTULUIOIW-OIISXLGYSA-N 2 2 274.408 2.448 10 0 CEAELP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)CO1 ZINC000262115728 288195925 /nfs/dbraw/zinc/19/59/25/288195925.db2.gz WWJSKFTULUIOIW-OIISXLGYSA-N 2 2 274.408 2.448 10 0 CEAELP CC(C)OC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000248650011 280357434 /nfs/dbraw/zinc/35/74/34/280357434.db2.gz WDNZEILQFJZZHW-XSCHDIRWSA-N 2 2 254.418 2.261 10 0 CEAELP CC(C)OC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000248650011 280357436 /nfs/dbraw/zinc/35/74/36/280357436.db2.gz WDNZEILQFJZZHW-XSCHDIRWSA-N 2 2 254.418 2.261 10 0 CEAELP C[N@H+](Cc1ncccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000530216744 298053063 /nfs/dbraw/zinc/05/30/63/298053063.db2.gz DJPUBDODRPAVHV-NSHDSACASA-N 2 2 253.777 2.309 10 0 CEAELP C[N@@H+](Cc1ncccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000530216744 298053065 /nfs/dbraw/zinc/05/30/65/298053065.db2.gz DJPUBDODRPAVHV-NSHDSACASA-N 2 2 253.777 2.309 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1ccc(Br)s1 ZINC000052304083 527199432 /nfs/dbraw/zinc/19/94/32/527199432.db2.gz DQKQXJBFFPTVTB-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075169 300270106 /nfs/dbraw/zinc/27/01/06/300270106.db2.gz SLBZZSRPVCAXLC-FZMZJTMJSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075169 300270111 /nfs/dbraw/zinc/27/01/11/300270111.db2.gz SLBZZSRPVCAXLC-FZMZJTMJSA-N 2 2 260.381 2.179 10 0 CEAELP CCC(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887094 322351801 /nfs/dbraw/zinc/35/18/01/322351801.db2.gz AESNDXGORFSZBG-IMJJTQAJSA-N 3 2 269.477 2.331 10 0 CEAELP CCC[NH2+][C@@H](C[N@@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069074430 520009406 /nfs/dbraw/zinc/00/94/06/520009406.db2.gz PMAAWEVEJOEXPD-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCC[NH2+][C@@H](C[N@H+]1CCC[C@H](OCC)C1)C1CC1 ZINC000069074430 520009413 /nfs/dbraw/zinc/00/94/13/520009413.db2.gz PMAAWEVEJOEXPD-GJZGRUSLSA-N 2 2 254.418 2.266 10 0 CEAELP CCCc1[nH+]ccn1[C@@H](C)C[C@@](C)([NH2+]C)C(=O)OCC ZINC000068650338 521553275 /nfs/dbraw/zinc/55/32/75/521553275.db2.gz PJCLDQMTAKWWLD-SWLSCSKDSA-N 2 2 281.400 2.328 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)Cc1ccccc1OC ZINC000052542187 522024069 /nfs/dbraw/zinc/02/40/69/522024069.db2.gz IRNNGPWOXUWIEU-AWEZNQCLSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)Cc1ccccc1OC ZINC000052542187 522024082 /nfs/dbraw/zinc/02/40/82/522024082.db2.gz IRNNGPWOXUWIEU-AWEZNQCLSA-N 2 2 250.386 2.371 10 0 CEAELP CC(C)[NH2+]CC1(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182847 519720321 /nfs/dbraw/zinc/72/03/21/519720321.db2.gz PMZXKJQVFPVUHM-HOTGVXAUSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)[NH2+]CC1(C[N@H+]2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000052182847 519720323 /nfs/dbraw/zinc/72/03/23/519720323.db2.gz PMZXKJQVFPVUHM-HOTGVXAUSA-N 2 2 296.455 2.035 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@@H+]1CCCN(C)CC1 ZINC000052424417 519749465 /nfs/dbraw/zinc/74/94/65/519749465.db2.gz CDSIYHONFDJZOK-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CC(C)C[NH2+]Cc1occc1C[N@H+]1CCCN(C)CC1 ZINC000052424417 519749466 /nfs/dbraw/zinc/74/94/66/519749466.db2.gz CDSIYHONFDJZOK-UHFFFAOYSA-N 2 2 279.428 2.163 10 0 CEAELP CCC[NH2+][C@H](C)C[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000068654902 520062408 /nfs/dbraw/zinc/06/24/08/520062408.db2.gz FKNBDVLFQLEQMA-CHWSQXEVSA-N 2 2 295.393 2.333 10 0 CEAELP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCOCC1 ZINC000054559498 520219136 /nfs/dbraw/zinc/21/91/36/520219136.db2.gz RUEXHHCBHRUWJQ-XHSDSOJGSA-N 2 2 268.445 2.369 10 0 CEAELP CC1(C)C[N@H+](Cc2ccoc2C[NH2+]C2CC2)CCO1 ZINC000052481809 520487978 /nfs/dbraw/zinc/48/79/78/520487978.db2.gz OTUMIXGPYCQYSH-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC1(C)C[N@@H+](Cc2ccoc2C[NH2+]C2CC2)CCO1 ZINC000052481809 520487986 /nfs/dbraw/zinc/48/79/86/520487986.db2.gz OTUMIXGPYCQYSH-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069237329 520966525 /nfs/dbraw/zinc/96/65/25/520966525.db2.gz SJRBBEUEDAQOAD-CQSZACIVSA-N 2 2 276.380 2.190 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000069237329 520966532 /nfs/dbraw/zinc/96/65/32/520966532.db2.gz SJRBBEUEDAQOAD-CQSZACIVSA-N 2 2 276.380 2.190 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069237398 520967289 /nfs/dbraw/zinc/96/72/89/520967289.db2.gz SEHFDRRKZRCNKF-CYBMUJFWSA-N 2 2 262.353 2.147 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000069237398 520967297 /nfs/dbraw/zinc/96/72/97/520967297.db2.gz SEHFDRRKZRCNKF-CYBMUJFWSA-N 2 2 262.353 2.147 10 0 CEAELP CC[N@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050558543 521476588 /nfs/dbraw/zinc/47/65/88/521476588.db2.gz XFBAUZGPKMMBSZ-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CC[N@@H+]([C@H](C)COC)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050558543 521476593 /nfs/dbraw/zinc/47/65/93/521476593.db2.gz XFBAUZGPKMMBSZ-DOMZBBRYSA-N 2 2 268.376 2.491 10 0 CEAELP CC[NH+]1CCC([N@H+](C)C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543980 521565084 /nfs/dbraw/zinc/56/50/84/521565084.db2.gz PWMOGQVMLPXMKT-OAHLLOKOSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543980 521565089 /nfs/dbraw/zinc/56/50/89/521565089.db2.gz PWMOGQVMLPXMKT-OAHLLOKOSA-N 3 2 269.477 2.284 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401455 521565450 /nfs/dbraw/zinc/56/54/50/521565450.db2.gz SOSNKPSWAOLQES-UHFFFAOYSA-N 3 2 279.403 2.201 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401455 521565453 /nfs/dbraw/zinc/56/54/53/521565453.db2.gz SOSNKPSWAOLQES-UHFFFAOYSA-N 3 2 279.403 2.201 10 0 CEAELP C[NH2+][C@@H](CC[NH+]1CCN(c2ccccn2)CC1)C(C)(C)C ZINC000054027229 522346857 /nfs/dbraw/zinc/34/68/57/522346857.db2.gz MALBIUJNCOADDE-HNNXBMFYSA-N 2 2 290.455 2.228 10 0 CEAELP C[N@H+](CCC[NH2+]Cc1ccncn1)C1CCCCC1 ZINC000054789695 522771375 /nfs/dbraw/zinc/77/13/75/522771375.db2.gz BKKWZJKENJPMNM-UHFFFAOYSA-N 2 2 262.401 2.221 10 0 CEAELP C[N@@H+](CCC[NH2+]Cc1ccncn1)C1CCCCC1 ZINC000054789695 522771384 /nfs/dbraw/zinc/77/13/84/522771384.db2.gz BKKWZJKENJPMNM-UHFFFAOYSA-N 2 2 262.401 2.221 10 0 CEAELP CC[C@H]1COCC[N@@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481504 523335726 /nfs/dbraw/zinc/33/57/26/523335726.db2.gz KMESAOLLABTRAF-ZDUSSCGKSA-N 2 2 281.400 2.174 10 0 CEAELP CC[C@H]1COCC[N@H+]1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052481504 523335732 /nfs/dbraw/zinc/33/57/32/523335732.db2.gz KMESAOLLABTRAF-ZDUSSCGKSA-N 2 2 281.400 2.174 10 0 CEAELP CC[C@H]1COCC[N@@H+]1Cc1occc1C[NH2+]C(C)C ZINC000052481432 523335831 /nfs/dbraw/zinc/33/58/31/523335831.db2.gz KWCJYMNCUACQJN-AWEZNQCLSA-N 2 2 266.385 2.388 10 0 CEAELP CC[C@H]1COCC[N@H+]1Cc1occc1C[NH2+]C(C)C ZINC000052481432 523335840 /nfs/dbraw/zinc/33/58/40/523335840.db2.gz KWCJYMNCUACQJN-AWEZNQCLSA-N 2 2 266.385 2.388 10 0 CEAELP C[N@H+](Cc1ccnc(C(N)=[NH2+])c1)Cc1ccccc1F ZINC000068761311 523452588 /nfs/dbraw/zinc/45/25/88/523452588.db2.gz AYFDCOOTOZMQMU-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)Cc1ccccc1F ZINC000068761311 523452591 /nfs/dbraw/zinc/45/25/91/523452591.db2.gz AYFDCOOTOZMQMU-UHFFFAOYSA-N 2 2 272.327 2.137 10 0 CEAELP C[N@H+](Cc1csc(C[NH3+])n1)Cc1ccc(F)cc1 ZINC000052346180 523526499 /nfs/dbraw/zinc/52/64/99/523526499.db2.gz PWUXMMOVYZVOQV-UHFFFAOYSA-N 2 2 265.357 2.373 10 0 CEAELP C[N@@H+](Cc1csc(C[NH3+])n1)Cc1ccc(F)cc1 ZINC000052346180 523526507 /nfs/dbraw/zinc/52/65/07/523526507.db2.gz PWUXMMOVYZVOQV-UHFFFAOYSA-N 2 2 265.357 2.373 10 0 CEAELP CC[C@@](C)(C[NH2+]CC(C)C)CN1CCn2cc[nH+]c2C1 ZINC000062322194 523639207 /nfs/dbraw/zinc/63/92/07/523639207.db2.gz WLLQCFRSMJSEJX-INIZCTEOSA-N 2 2 278.444 2.361 10 0 CEAELP COc1ccc(Cl)cc1Cn1cc[nH+]c1CC[NH3+] ZINC000052304202 524212628 /nfs/dbraw/zinc/21/26/28/524212628.db2.gz FNVSGZKFEKZSON-UHFFFAOYSA-N 2 2 265.744 2.095 10 0 CEAELP C[C@@H](CC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374754 524498049 /nfs/dbraw/zinc/49/80/49/524498049.db2.gz POOCOSUSKYQWPF-AWEZNQCLSA-N 2 2 291.414 2.478 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000049150594 524592345 /nfs/dbraw/zinc/59/23/45/524592345.db2.gz BJFZEHLEJZOFSP-HNNXBMFYSA-N 3 2 288.439 2.124 10 0 CEAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049151221 524592497 /nfs/dbraw/zinc/59/24/97/524592497.db2.gz KSPPJGSNKVDFBB-STQMWFEESA-N 2 2 290.411 2.312 10 0 CEAELP C[C@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCO1 ZINC000052382594 524612517 /nfs/dbraw/zinc/61/25/17/524612517.db2.gz ONHIKQSARUFERI-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCO1 ZINC000052382594 524612524 /nfs/dbraw/zinc/61/25/24/524612524.db2.gz ONHIKQSARUFERI-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)C1CCC(C)CC1 ZINC000068637642 524861854 /nfs/dbraw/zinc/86/18/54/524861854.db2.gz IAQHZUXHWLRUHF-QOOXBKGJSA-N 2 2 295.471 2.272 10 0 CEAELP C[C@@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)C1CCC(C)CC1 ZINC000068637642 524861862 /nfs/dbraw/zinc/86/18/62/524861862.db2.gz IAQHZUXHWLRUHF-QOOXBKGJSA-N 2 2 295.471 2.272 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000050578635 525003093 /nfs/dbraw/zinc/00/30/93/525003093.db2.gz GEWRKRJEWYKUFF-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1cc(F)ccc1[C@@H](C[NH3+])[N@H+](C)C1CCOCC1 ZINC000050578635 525003104 /nfs/dbraw/zinc/00/31/04/525003104.db2.gz GEWRKRJEWYKUFF-OAHLLOKOSA-N 2 2 266.360 2.245 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757655 525424153 /nfs/dbraw/zinc/42/41/53/525424153.db2.gz LBEVIMJFWNFSKT-ZBFHGGJFSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757655 525424165 /nfs/dbraw/zinc/42/41/65/525424165.db2.gz LBEVIMJFWNFSKT-ZBFHGGJFSA-N 2 2 262.397 2.232 10 0 CEAELP Cc1csc(C[NH2+]C[C@](C)([NH3+])c2ccccc2)n1 ZINC000052883536 526358211 /nfs/dbraw/zinc/35/82/11/526358211.db2.gz ZPEDIASKWNOOJT-AWEZNQCLSA-N 2 2 261.394 2.415 10 0 CEAELP NC(=O)[C@@H](CC[NH+]1CCC2(CCCCC2)CC1)[NH2+]C1CC1 ZINC000062532842 526953650 /nfs/dbraw/zinc/95/36/50/526953650.db2.gz YVYKUXJGSOOMMT-OAHLLOKOSA-N 2 2 293.455 2.029 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1cc(Br)ccc1F ZINC000052304072 527198834 /nfs/dbraw/zinc/19/88/34/527198834.db2.gz KONCGSGPQDLGSR-UHFFFAOYSA-N 2 2 298.159 2.334 10 0 CEAELP [NH3+]Cc1oc2ccccc2c1C[NH+]1CCN(C2CC2)CC1 ZINC000052371312 527267731 /nfs/dbraw/zinc/26/77/31/527267731.db2.gz LGHWZYGVWNSDLG-UHFFFAOYSA-N 2 2 285.391 2.172 10 0 CEAELP [NH3+]Cc1oc2ccccc2c1CN1CC[NH+](C2CC2)CC1 ZINC000052371312 527267740 /nfs/dbraw/zinc/26/77/40/527267740.db2.gz LGHWZYGVWNSDLG-UHFFFAOYSA-N 2 2 285.391 2.172 10 0 CEAELP C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000083799400 623233565 /nfs/dbraw/zinc/23/35/65/623233565.db2.gz SMRJXXRZFPUNJB-KGLIPLIRSA-N 2 2 299.459 2.173 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cc[nH]c1=S ZINC000176076217 623997659 /nfs/dbraw/zinc/99/76/59/623997659.db2.gz KJIHGBWZEUSBTE-LBPRGKRZSA-N 2 2 277.397 2.173 10 0 CEAELP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)s1 ZINC000399083614 628774053 /nfs/dbraw/zinc/77/40/53/628774053.db2.gz SXWAAHBQZYDSOA-LBPRGKRZSA-N 2 2 268.426 2.164 10 0 CEAELP CC[NH+](CC)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675127 361921258 /nfs/dbraw/zinc/92/12/58/361921258.db2.gz RSHNUJYIIWDTEN-CYBMUJFWSA-N 2 2 264.369 2.190 10 0 CEAELP Fc1ccc(-n2c[nH+]cc2C2C[NH2+]C2)cc1Cl ZINC000097014163 185151413 /nfs/dbraw/zinc/15/14/13/185151413.db2.gz FWUZGHYAZXWNKM-UHFFFAOYSA-N 2 2 251.692 2.352 10 0 CEAELP CCc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000227724848 344556417 /nfs/dbraw/zinc/55/64/17/344556417.db2.gz IXWMXLHJHKJWQF-INIZCTEOSA-N 2 2 282.391 2.410 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384561318 344828426 /nfs/dbraw/zinc/82/84/26/344828426.db2.gz KBFMIQZQIHRIQO-RBSFLKMASA-N 2 2 254.418 2.002 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384561318 344828428 /nfs/dbraw/zinc/82/84/28/344828428.db2.gz KBFMIQZQIHRIQO-RBSFLKMASA-N 2 2 254.418 2.002 10 0 CEAELP O[C@@H](C[NH2+]CC[NH2+]Cc1ccccc1)c1ccccc1 ZINC000584596057 344961258 /nfs/dbraw/zinc/96/12/58/344961258.db2.gz KRTCIHDCFGSTCH-KRWDZBQOSA-N 2 2 270.376 2.099 10 0 CEAELP Cc1ccccc1CN(CC[NH+](C)C)Cc1[nH]cc[nH+]1 ZINC000055108051 362544302 /nfs/dbraw/zinc/54/43/02/362544302.db2.gz OLDCWTQYRLGWFL-UHFFFAOYSA-N 2 2 272.396 2.282 10 0 CEAELP CCO[C@H]1C[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000085384909 179046715 /nfs/dbraw/zinc/04/67/15/179046715.db2.gz FRADEZBLFWEWKE-AVGNSLFASA-N 2 2 251.374 2.065 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCOC ZINC000085476078 179079596 /nfs/dbraw/zinc/07/95/96/179079596.db2.gz WLXJFUQLRZSZAR-RDBSUJKOSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+][C@H](C(C)(C)C)C[N@H+]1CCOC ZINC000085476078 179079597 /nfs/dbraw/zinc/07/95/97/179079597.db2.gz WLXJFUQLRZSZAR-RDBSUJKOSA-N 2 2 256.434 2.367 10 0 CEAELP CC[C@]1(C)C[NH2+][C@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085515084 179086517 /nfs/dbraw/zinc/08/65/17/179086517.db2.gz WOESXCBCIFENQW-SJORKVTESA-N 2 2 290.455 2.434 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085515107 179086658 /nfs/dbraw/zinc/08/66/58/179086658.db2.gz CCQLONQMAIILKG-JYJNAYRXSA-N 2 2 266.429 2.408 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085515107 179086661 /nfs/dbraw/zinc/08/66/61/179086661.db2.gz CCQLONQMAIILKG-JYJNAYRXSA-N 2 2 266.429 2.408 10 0 CEAELP CCC1(CC)C[N@H+](CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000085520263 179087455 /nfs/dbraw/zinc/08/74/55/179087455.db2.gz HZRDIAMIHRVOGI-HNNXBMFYSA-N 2 2 286.460 2.282 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCCOC)[C@@](C)(CC)C[NH2+]1 ZINC000085520263 179087458 /nfs/dbraw/zinc/08/74/58/179087458.db2.gz HZRDIAMIHRVOGI-HNNXBMFYSA-N 2 2 286.460 2.282 10 0 CEAELP C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516267 179087666 /nfs/dbraw/zinc/08/76/66/179087666.db2.gz WYFWGYVBTOUYAN-GVDBMIGSSA-N 2 2 278.440 2.408 10 0 CEAELP C[C@]1(C2CC2)C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085516267 179087668 /nfs/dbraw/zinc/08/76/68/179087668.db2.gz WYFWGYVBTOUYAN-GVDBMIGSSA-N 2 2 278.440 2.408 10 0 CEAELP C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085515889 179087844 /nfs/dbraw/zinc/08/78/44/179087844.db2.gz CPLCZXLMCHTDMQ-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP C[C@@]1(C2CC2)C[N@@H+](C[C@@H]2CCOC2)C2(CCCC2)C[NH2+]1 ZINC000085515889 179087847 /nfs/dbraw/zinc/08/78/47/179087847.db2.gz CPLCZXLMCHTDMQ-HOCLYGCPSA-N 2 2 278.440 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1CCOC ZINC000085503750 179084243 /nfs/dbraw/zinc/08/42/43/179084243.db2.gz GHVWCCGOEMLIQX-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@]1(C)C[NH2+]C2(CCCCC2)C[N@H+]1CCOC ZINC000085503750 179084245 /nfs/dbraw/zinc/08/42/45/179084245.db2.gz GHVWCCGOEMLIQX-AWEZNQCLSA-N 2 2 254.418 2.410 10 0 CEAELP CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085524864 179089291 /nfs/dbraw/zinc/08/92/91/179089291.db2.gz KPDWCPFXHHQXMW-HYVNUMGLSA-N 2 2 290.455 2.372 10 0 CEAELP CC[C@@H](C)[C@H]1CN[C@H](C2CC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085524864 179089292 /nfs/dbraw/zinc/08/92/92/179089292.db2.gz KPDWCPFXHHQXMW-HYVNUMGLSA-N 2 2 290.455 2.372 10 0 CEAELP C(C1CCOCC1)[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529176 179090504 /nfs/dbraw/zinc/09/05/04/179090504.db2.gz CRGSOAFEJYMCJA-MRXNPFEDSA-N 2 2 278.440 2.410 10 0 CEAELP C(C1CCOCC1)[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCC2 ZINC000085529176 179090507 /nfs/dbraw/zinc/09/05/07/179090507.db2.gz CRGSOAFEJYMCJA-MRXNPFEDSA-N 2 2 278.440 2.410 10 0 CEAELP CCOCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529221 179091133 /nfs/dbraw/zinc/09/11/33/179091133.db2.gz XGYLYTKINDQMLA-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@H+]1C[C@H](C2CC2)[NH2+]CC12CCCCC2 ZINC000085529221 179091134 /nfs/dbraw/zinc/09/11/34/179091134.db2.gz XGYLYTKINDQMLA-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609100 179101342 /nfs/dbraw/zinc/10/13/42/179101342.db2.gz ARAHLUVEVXNLAT-NEPJUHHUSA-N 2 2 282.350 2.275 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609100 179101344 /nfs/dbraw/zinc/10/13/44/179101344.db2.gz ARAHLUVEVXNLAT-NEPJUHHUSA-N 2 2 282.350 2.275 10 0 CEAELP COc1cccc(C[N@@H+]2CC(C)(C)[NH2+]CC[C@H]2C)n1 ZINC000085622560 179105311 /nfs/dbraw/zinc/10/53/11/179105311.db2.gz RPXCSIWLFCNJKA-GFCCVEGCSA-N 2 2 263.385 2.053 10 0 CEAELP COc1cccc(C[N@H+]2CC(C)(C)[NH2+]CC[C@H]2C)n1 ZINC000085622560 179105312 /nfs/dbraw/zinc/10/53/12/179105312.db2.gz RPXCSIWLFCNJKA-GFCCVEGCSA-N 2 2 263.385 2.053 10 0 CEAELP CC(C)C[C@H]1C[N@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622211 179105937 /nfs/dbraw/zinc/10/59/37/179105937.db2.gz CXZBMQANCSKYSD-ZFWWWQNUSA-N 2 2 264.417 2.019 10 0 CEAELP CC(C)C[C@H]1C[N@@H+](Cc2cnn(C)c2)[C@@H](C)CC[NH2+]1 ZINC000085622211 179105940 /nfs/dbraw/zinc/10/59/40/179105940.db2.gz CXZBMQANCSKYSD-ZFWWWQNUSA-N 2 2 264.417 2.019 10 0 CEAELP CCC[NH2+][C@H](CCO)C[NH+](CC(C)C)CC(C)C ZINC000085921898 179200661 /nfs/dbraw/zinc/20/06/61/179200661.db2.gz DYGOSDXJRXCPKM-OAHLLOKOSA-N 2 2 258.450 2.351 10 0 CEAELP CCC[NH2+][C@H](CCO)C[NH+]1CCC(CCC)CC1 ZINC000085922635 179201045 /nfs/dbraw/zinc/20/10/45/179201045.db2.gz WMUOPYQKMJJEKA-OAHLLOKOSA-N 2 2 256.434 2.249 10 0 CEAELP CCC[NH2+][C@H](CCO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085922947 179201711 /nfs/dbraw/zinc/20/17/11/179201711.db2.gz NLZIMLQZCPPCRE-OAHLLOKOSA-N 2 2 268.445 2.393 10 0 CEAELP C([C@@H]1CCCOC1)[N@@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000086146238 179238288 /nfs/dbraw/zinc/23/82/88/179238288.db2.gz LELUEBBWCDNNEF-AWEZNQCLSA-N 2 2 252.402 2.021 10 0 CEAELP C([C@@H]1CCCOC1)[N@H+]1CC[NH2+]C2(CCCCC2)C1 ZINC000086146238 179238291 /nfs/dbraw/zinc/23/82/91/179238291.db2.gz LELUEBBWCDNNEF-AWEZNQCLSA-N 2 2 252.402 2.021 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@@H+]1[C@@H](C)COC ZINC000086179958 179246529 /nfs/dbraw/zinc/24/65/29/179246529.db2.gz KIQXXLWJRUAZIA-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)C[N@H+]1[C@@H](C)COC ZINC000086179958 179246530 /nfs/dbraw/zinc/24/65/30/179246530.db2.gz KIQXXLWJRUAZIA-UONOGXRCSA-N 2 2 254.418 2.408 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261096 179260059 /nfs/dbraw/zinc/26/00/59/179260059.db2.gz HEFIVWIXRPTKTQ-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1CCCC[NH+](C)C ZINC000086261096 179260061 /nfs/dbraw/zinc/26/00/61/179260061.db2.gz HEFIVWIXRPTKTQ-HNNXBMFYSA-N 3 2 267.461 2.325 10 0 CEAELP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1[nH+]ccn1C ZINC000086264839 179261385 /nfs/dbraw/zinc/26/13/85/179261385.db2.gz FPUSCVNCJHZNQV-CQSZACIVSA-N 2 2 276.428 2.307 10 0 CEAELP CCC1(CC)C[N@H+](Cc2ccnc(C)n2)CCC[NH2+]1 ZINC000086292614 179266505 /nfs/dbraw/zinc/26/65/05/179266505.db2.gz NVIVLMIKVOAJGV-UHFFFAOYSA-N 2 2 262.401 2.139 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2ccnc(C)n2)CCC[NH2+]1 ZINC000086292614 179266507 /nfs/dbraw/zinc/26/65/07/179266507.db2.gz NVIVLMIKVOAJGV-UHFFFAOYSA-N 2 2 262.401 2.139 10 0 CEAELP [NH3+]C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333406 179273155 /nfs/dbraw/zinc/27/31/55/179273155.db2.gz UZFXKVKLAPBXAK-ZJUUUORDSA-N 2 2 260.790 2.170 10 0 CEAELP FC(F)Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000086507111 179303096 /nfs/dbraw/zinc/30/30/96/179303096.db2.gz FOVUQSMBJBNQHQ-UHFFFAOYSA-N 2 2 267.279 2.343 10 0 CEAELP FC(F)Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000086507111 179303097 /nfs/dbraw/zinc/30/30/97/179303097.db2.gz FOVUQSMBJBNQHQ-UHFFFAOYSA-N 2 2 267.279 2.343 10 0 CEAELP COc1ncccc1C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086840786 179352568 /nfs/dbraw/zinc/35/25/68/179352568.db2.gz JOYPJZYFZIXMAV-OAHLLOKOSA-N 2 2 277.412 2.443 10 0 CEAELP COc1ncccc1C[NH2+][C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000086840786 179352570 /nfs/dbraw/zinc/35/25/70/179352570.db2.gz JOYPJZYFZIXMAV-OAHLLOKOSA-N 2 2 277.412 2.443 10 0 CEAELP CC[N@@H+]1CCC[C@]([NH3+])(c2nc3c(s2)CCC3)CC1 ZINC000086851342 179359215 /nfs/dbraw/zinc/35/92/15/179359215.db2.gz SXTRCNNLKAZABK-CQSZACIVSA-N 2 2 265.426 2.292 10 0 CEAELP CC[N@H+]1CCC[C@]([NH3+])(c2nc3c(s2)CCC3)CC1 ZINC000086851342 179359218 /nfs/dbraw/zinc/35/92/18/179359218.db2.gz SXTRCNNLKAZABK-CQSZACIVSA-N 2 2 265.426 2.292 10 0 CEAELP C1C[NH2+][C@H]([C@@H]2CCCC[N@@H+]2[C@@H]2CCCOCC2)C1 ZINC000086876861 179365414 /nfs/dbraw/zinc/36/54/14/179365414.db2.gz JYRLRXACHFVPTQ-ILXRZTDVSA-N 2 2 252.402 2.162 10 0 CEAELP C1C[NH2+][C@H]([C@@H]2CCCC[N@H+]2[C@@H]2CCCOCC2)C1 ZINC000086876861 179365415 /nfs/dbraw/zinc/36/54/15/179365415.db2.gz JYRLRXACHFVPTQ-ILXRZTDVSA-N 2 2 252.402 2.162 10 0 CEAELP C[C@@H]1C[C@](C[NH3+])([N@H+](C)Cc2cccs2)CS1 ZINC000086936654 179367932 /nfs/dbraw/zinc/36/79/32/179367932.db2.gz VULDOCJGQNWHPW-ZYHUDNBSSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@@H]1C[C@](C[NH3+])([N@@H+](C)Cc2cccs2)CS1 ZINC000086936654 179367933 /nfs/dbraw/zinc/36/79/33/179367933.db2.gz VULDOCJGQNWHPW-ZYHUDNBSSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@H]1C[C@](C[NH3+])([N@H+](C)Cc2ccsc2)CS1 ZINC000086936659 179367979 /nfs/dbraw/zinc/36/79/79/179367979.db2.gz NVRGDRPJZJRFPN-CMPLNLGQSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@H]1C[C@](C[NH3+])([N@@H+](C)Cc2ccsc2)CS1 ZINC000086936659 179367980 /nfs/dbraw/zinc/36/79/80/179367980.db2.gz NVRGDRPJZJRFPN-CMPLNLGQSA-N 2 2 256.440 2.403 10 0 CEAELP C[NH+](C)CC[NH2+][C@]1(CO)CCC[C@@H](C(C)(C)C)CC1 ZINC000086962043 179369699 /nfs/dbraw/zinc/36/96/99/179369699.db2.gz GBZOEPQYLRRFHE-GDBMZVCRSA-N 2 2 270.461 2.495 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000087061244 179389591 /nfs/dbraw/zinc/38/95/91/179389591.db2.gz XIUZYBZLUVOGCT-PCKAHOCUSA-N 2 2 268.445 2.392 10 0 CEAELP CCC1CCC(O)(C[NH2+]C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000087061244 179389593 /nfs/dbraw/zinc/38/95/93/179389593.db2.gz XIUZYBZLUVOGCT-PCKAHOCUSA-N 2 2 268.445 2.392 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616704 348535950 /nfs/dbraw/zinc/53/59/50/348535950.db2.gz USPSZSSCXLATAS-HNNXBMFYSA-N 2 2 276.380 2.349 10 0 CEAELP CCOC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616704 348535952 /nfs/dbraw/zinc/53/59/52/348535952.db2.gz USPSZSSCXLATAS-HNNXBMFYSA-N 2 2 276.380 2.349 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc3ncccc32)C1 ZINC000616620912 348537182 /nfs/dbraw/zinc/53/71/82/348537182.db2.gz OBWCDRXRNBRVTL-ZDUSSCGKSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc3ncccc32)C1 ZINC000616620912 348537185 /nfs/dbraw/zinc/53/71/85/348537185.db2.gz OBWCDRXRNBRVTL-ZDUSSCGKSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000089451595 539717128 /nfs/dbraw/zinc/71/71/28/539717128.db2.gz CRFUGOGCRYSXOG-CHWSQXEVSA-N 2 2 284.363 2.186 10 0 CEAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693451 180025593 /nfs/dbraw/zinc/02/55/93/180025593.db2.gz SONAWNQXPPXGLM-HOTGVXAUSA-N 2 2 295.471 2.242 10 0 CEAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693451 180025595 /nfs/dbraw/zinc/02/55/95/180025595.db2.gz SONAWNQXPPXGLM-HOTGVXAUSA-N 2 2 295.471 2.242 10 0 CEAELP C[C@@H](C[NH3+])C[NH+]1CCN(c2snc3ccccc32)CC1 ZINC000090868849 180049298 /nfs/dbraw/zinc/04/92/98/180049298.db2.gz QDPMVQAXPGYODL-LBPRGKRZSA-N 2 2 290.436 2.013 10 0 CEAELP CC[N@H+](CC[NH2+]C(C)C)C[C@H]1Cc2ccccc2O1 ZINC000090875327 180051302 /nfs/dbraw/zinc/05/13/02/180051302.db2.gz VVSXJAVOJKYOTI-OAHLLOKOSA-N 2 2 262.397 2.310 10 0 CEAELP CC[N@@H+](CC[NH2+]C(C)C)C[C@H]1Cc2ccccc2O1 ZINC000090875327 180051304 /nfs/dbraw/zinc/05/13/04/180051304.db2.gz VVSXJAVOJKYOTI-OAHLLOKOSA-N 2 2 262.397 2.310 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892555 180054643 /nfs/dbraw/zinc/05/46/43/180054643.db2.gz CUVLPKPJNLBXOF-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892555 180054645 /nfs/dbraw/zinc/05/46/45/180054645.db2.gz CUVLPKPJNLBXOF-CABCVRRESA-N 2 2 278.371 2.203 10 0 CEAELP CCCC[N@H+](CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893504 180055488 /nfs/dbraw/zinc/05/54/88/180055488.db2.gz SFHRANPHRXXLLH-CQSZACIVSA-N 2 2 266.360 2.190 10 0 CEAELP CCCC[N@@H+](CC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090893504 180055489 /nfs/dbraw/zinc/05/54/89/180055489.db2.gz SFHRANPHRXXLLH-CQSZACIVSA-N 2 2 266.360 2.190 10 0 CEAELP Clc1ccc2c(c1)C[C@@H](C[NH2+]CCn1cc[nH+]c1)O2 ZINC000090903936 180060237 /nfs/dbraw/zinc/06/02/37/180060237.db2.gz IBSYAZDMUYMRCX-ZDUSSCGKSA-N 2 2 277.755 2.130 10 0 CEAELP CC[NH+]1CCC([NH2+]Cc2sccc2NC(C)=O)CC1 ZINC000090960365 180075243 /nfs/dbraw/zinc/07/52/43/180075243.db2.gz CNQIWLUIBMTRGZ-UHFFFAOYSA-N 2 2 281.425 2.280 10 0 CEAELP CCC[N@@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275672 180118453 /nfs/dbraw/zinc/11/84/53/180118453.db2.gz OZTOPQXYYVKBPR-UKRRQHHQSA-N 2 2 262.401 2.482 10 0 CEAELP CCC[N@H+]1CCCC[C@@H]([NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275672 180118455 /nfs/dbraw/zinc/11/84/55/180118455.db2.gz OZTOPQXYYVKBPR-UKRRQHHQSA-N 2 2 262.401 2.482 10 0 CEAELP CCCN1CCCC[C@@H]([NH3+])[C@@H]1c1c[nH+]cn1C1CC1 ZINC000091275672 180118458 /nfs/dbraw/zinc/11/84/58/180118458.db2.gz OZTOPQXYYVKBPR-UKRRQHHQSA-N 2 2 262.401 2.482 10 0 CEAELP c1cn([C@H]2CCC[C@H]2[NH2+]Cc2cncn2C2CC2)c[nH+]1 ZINC000091275122 180119071 /nfs/dbraw/zinc/11/90/71/180119071.db2.gz ARJJKRBIRFYVGO-CABCVRRESA-N 2 2 271.368 2.298 10 0 CEAELP CN(c1ccccc1F)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276491 180120046 /nfs/dbraw/zinc/12/00/46/180120046.db2.gz SEKFGBDCTNWKAA-AWEZNQCLSA-N 2 2 274.343 2.493 10 0 CEAELP Cc1occc1C[N@H+](C)CC[C@H]1CSCC[NH2+]1 ZINC000091292084 180123657 /nfs/dbraw/zinc/12/36/57/180123657.db2.gz HCSGFMCOTOKZJI-ZDUSSCGKSA-N 2 2 254.399 2.115 10 0 CEAELP Cc1occc1C[N@@H+](C)CC[C@H]1CSCC[NH2+]1 ZINC000091292084 180123658 /nfs/dbraw/zinc/12/36/58/180123658.db2.gz HCSGFMCOTOKZJI-ZDUSSCGKSA-N 2 2 254.399 2.115 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)Cc1cnn(C)c1 ZINC000091404141 180147228 /nfs/dbraw/zinc/14/72/28/180147228.db2.gz HAAVFZFNIIAYTD-ZDUSSCGKSA-N 2 2 266.433 2.266 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)Cc1cnn(C)c1 ZINC000091404141 180147229 /nfs/dbraw/zinc/14/72/29/180147229.db2.gz HAAVFZFNIIAYTD-ZDUSSCGKSA-N 2 2 266.433 2.266 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)CCC[NH+](C)C ZINC000091405163 180147533 /nfs/dbraw/zinc/14/75/33/180147533.db2.gz JQVPFYUKSGRDGX-AWEZNQCLSA-N 3 2 257.466 2.284 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+](C)CCC[NH+](C)C ZINC000091405163 180147535 /nfs/dbraw/zinc/14/75/35/180147535.db2.gz JQVPFYUKSGRDGX-AWEZNQCLSA-N 3 2 257.466 2.284 10 0 CEAELP CC[C@](C)([C@H]([NH3+])Cc1ncnn1C(C)C)[NH+]1CCCCC1 ZINC000091609538 180205660 /nfs/dbraw/zinc/20/56/60/180205660.db2.gz DSPKWGHGIBZJGK-GDBMZVCRSA-N 2 2 293.459 2.383 10 0 CEAELP CC[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C(CC)(CC)[NH+](C)C ZINC000091614655 180207729 /nfs/dbraw/zinc/20/77/29/180207729.db2.gz RFAGDUZQXXQJDF-AWEZNQCLSA-N 3 2 278.444 2.305 10 0 CEAELP C[NH2+][C@@H](Cc1cc(C)ccc1OC)C(C)(C)[NH+](C)C ZINC000091528549 180180475 /nfs/dbraw/zinc/18/04/75/180180475.db2.gz MSCANVAXSKJOBI-HNNXBMFYSA-N 2 2 264.413 2.474 10 0 CEAELP C[NH2+][C@H](Cc1cc(F)ccc1F)C(C)(C)[NH+](C)C ZINC000091528710 180180787 /nfs/dbraw/zinc/18/07/87/180180787.db2.gz ASFWCDAWWGOCNO-CYBMUJFWSA-N 2 2 256.340 2.436 10 0 CEAELP COc1c(C)cnc(C[C@H]([NH3+])C(C)(C)[NH+]2CCCC2)c1C ZINC000091533643 180181726 /nfs/dbraw/zinc/18/17/26/180181726.db2.gz KSYZVJRSQFLNKJ-HNNXBMFYSA-N 2 2 291.439 2.451 10 0 CEAELP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000091543561 180185041 /nfs/dbraw/zinc/18/50/41/180185041.db2.gz KTBNEXRJRHHUCK-RYUDHWBXSA-N 2 2 270.336 2.143 10 0 CEAELP CC[NH+](CC)C1([C@@H](Cc2cccnc2N)[NH2+]C)CCCC1 ZINC000091639495 180212615 /nfs/dbraw/zinc/21/26/15/180212615.db2.gz BUJWFEWQLGISNV-OAHLLOKOSA-N 2 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@@H](CC[NH+](CC)CC)c1ccnn1CC ZINC000091716394 180232837 /nfs/dbraw/zinc/23/28/37/180232837.db2.gz MPCDXFSBLXDMTM-ZDUSSCGKSA-N 2 2 252.406 2.286 10 0 CEAELP [NH3+][C@H](c1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720524 180236042 /nfs/dbraw/zinc/23/60/42/180236042.db2.gz WYRGCTZFBUCEOH-MGPQQGTHSA-N 2 2 266.772 2.203 10 0 CEAELP [NH3+][C@H](c1cccc(Cl)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091720524 180236045 /nfs/dbraw/zinc/23/60/45/180236045.db2.gz WYRGCTZFBUCEOH-MGPQQGTHSA-N 2 2 266.772 2.203 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000091782529 180254612 /nfs/dbraw/zinc/25/46/12/180254612.db2.gz MIZFWIPRESLSSS-VXGBXAGGSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)C2)o1 ZINC000091782529 180254613 /nfs/dbraw/zinc/25/46/13/180254613.db2.gz MIZFWIPRESLSSS-VXGBXAGGSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000091782529 180254614 /nfs/dbraw/zinc/25/46/14/180254614.db2.gz MIZFWIPRESLSSS-VXGBXAGGSA-N 2 2 280.368 2.011 10 0 CEAELP COC(=O)c1ccc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC000091782529 180254616 /nfs/dbraw/zinc/25/46/16/180254616.db2.gz MIZFWIPRESLSSS-VXGBXAGGSA-N 2 2 280.368 2.011 10 0 CEAELP CCC[NH2+][C@H](C)c1cnc([C@@H]2C[N@H+](C)CCO2)s1 ZINC000091722507 180240025 /nfs/dbraw/zinc/24/00/25/180240025.db2.gz XGVIMDMKEWGOSM-MNOVXSKESA-N 2 2 269.414 2.207 10 0 CEAELP CCC[NH2+][C@H](C)c1cnc([C@@H]2C[N@@H+](C)CCO2)s1 ZINC000091722507 180240027 /nfs/dbraw/zinc/24/00/27/180240027.db2.gz XGVIMDMKEWGOSM-MNOVXSKESA-N 2 2 269.414 2.207 10 0 CEAELP Cc1nc(C[NH+](C)C)nc(C)c1[C@H](C)C[NH2+]C(C)C ZINC000091723773 180242322 /nfs/dbraw/zinc/24/23/22/180242322.db2.gz ZSENBBAGAUZZID-LLVKDONJSA-N 2 2 264.417 2.257 10 0 CEAELP Cc1cc(NC(=O)c2ccccc2CC[NH3+])cc[nH+]1 ZINC000092349830 180367510 /nfs/dbraw/zinc/36/75/10/180367510.db2.gz YUOXDCGVCMQEFH-UHFFFAOYSA-N 2 2 255.321 2.144 10 0 CEAELP CCNc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000092371274 180369917 /nfs/dbraw/zinc/36/99/17/180369917.db2.gz NKRYZSQYNZVFBS-CQSZACIVSA-N 2 2 262.401 2.039 10 0 CEAELP CCOC(=O)C[N@H+](C(C)C)[C@H](CC[NH3+])c1ccccc1 ZINC000109685070 186268447 /nfs/dbraw/zinc/26/84/47/186268447.db2.gz ZBXGATUCTBJCKL-OAHLLOKOSA-N 2 2 278.396 2.350 10 0 CEAELP CCOC(=O)C[N@@H+](C(C)C)[C@H](CC[NH3+])c1ccccc1 ZINC000109685070 186268448 /nfs/dbraw/zinc/26/84/48/186268448.db2.gz ZBXGATUCTBJCKL-OAHLLOKOSA-N 2 2 278.396 2.350 10 0 CEAELP CN(Cc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000110931004 186333616 /nfs/dbraw/zinc/33/36/16/186333616.db2.gz ABDSFJXNNLFNNU-CYBMUJFWSA-N 2 2 278.787 2.172 10 0 CEAELP CCN(Cc1cn2cccc(C)c2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000110944489 186335177 /nfs/dbraw/zinc/33/51/77/186335177.db2.gz IQRDCAHFLLHCSN-OAHLLOKOSA-N 2 2 272.396 2.217 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160368 186361681 /nfs/dbraw/zinc/36/16/81/186361681.db2.gz VMXLMCHVGKJFCL-RRFJBIMHSA-N 2 2 254.418 2.266 10 0 CEAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160368 186361683 /nfs/dbraw/zinc/36/16/83/186361683.db2.gz VMXLMCHVGKJFCL-RRFJBIMHSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000111160976 186362920 /nfs/dbraw/zinc/36/29/20/186362920.db2.gz ULNOWCDWQLAUEB-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP C[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111160976 186362922 /nfs/dbraw/zinc/36/29/22/186362922.db2.gz ULNOWCDWQLAUEB-ZNMIVQPWSA-N 2 2 254.418 2.266 10 0 CEAELP CCOc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143889 186358989 /nfs/dbraw/zinc/35/89/89/186358989.db2.gz DSACTEUBAJXIDT-MRXNPFEDSA-N 2 2 280.412 2.002 10 0 CEAELP CCOc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143889 186358990 /nfs/dbraw/zinc/35/89/90/186358990.db2.gz DSACTEUBAJXIDT-MRXNPFEDSA-N 2 2 280.412 2.002 10 0 CEAELP CCCOc1ccc([C@H](O)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000111143847 186359167 /nfs/dbraw/zinc/35/91/67/186359167.db2.gz JTTHYDPZVXCSGJ-QGZVFWFLSA-N 2 2 294.439 2.392 10 0 CEAELP CCCOc1ccc([C@H](O)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000111143847 186359169 /nfs/dbraw/zinc/35/91/69/186359169.db2.gz JTTHYDPZVXCSGJ-QGZVFWFLSA-N 2 2 294.439 2.392 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)CCC[NH+](C)C)oc1C ZINC000111150181 186359875 /nfs/dbraw/zinc/35/98/75/186359875.db2.gz RNOJYIIAVAPUQO-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)CCC[NH+](C)C)oc1C ZINC000111150181 186359877 /nfs/dbraw/zinc/35/98/77/186359877.db2.gz RNOJYIIAVAPUQO-UHFFFAOYSA-N 3 2 281.444 2.471 10 0 CEAELP CC[NH2+][C@@H](Cc1[nH]cc[nH+]1)[C@@H]1CCOc2ccccc21 ZINC000111185786 186366130 /nfs/dbraw/zinc/36/61/30/186366130.db2.gz ICQLURAGXNYEKM-OCCSQVGLSA-N 2 2 271.364 2.497 10 0 CEAELP CCC[NH2+]C[C@@]1(C[N@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325735 186398151 /nfs/dbraw/zinc/39/81/51/186398151.db2.gz DITGUNALOYEDJU-QGZVFWFLSA-N 2 2 291.439 2.310 10 0 CEAELP CCC[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccncc2)CCCOC1 ZINC000111325735 186398152 /nfs/dbraw/zinc/39/81/52/186398152.db2.gz DITGUNALOYEDJU-QGZVFWFLSA-N 2 2 291.439 2.310 10 0 CEAELP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccc2OC)CCCOC1 ZINC000111327282 186399023 /nfs/dbraw/zinc/39/90/23/186399023.db2.gz AZTWXAJYWBADMN-QGZVFWFLSA-N 2 2 292.423 2.143 10 0 CEAELP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccccc2OC)CCCOC1 ZINC000111327282 186399024 /nfs/dbraw/zinc/39/90/24/186399024.db2.gz AZTWXAJYWBADMN-QGZVFWFLSA-N 2 2 292.423 2.143 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796077 363001694 /nfs/dbraw/zinc/00/16/94/363001694.db2.gz VRTDNNMRSZEZRJ-OIBJUYFYSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000069796077 363001696 /nfs/dbraw/zinc/00/16/96/363001696.db2.gz VRTDNNMRSZEZRJ-OIBJUYFYSA-N 2 2 275.215 2.462 10 0 CEAELP Cc1cc(N2CCC[NH2+]CC2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070451990 363084063 /nfs/dbraw/zinc/08/40/63/363084063.db2.gz MPLZUOZFALYZRI-UHFFFAOYSA-N 2 2 286.354 2.391 10 0 CEAELP Cc1[nH+]c(-c2ccncc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000070456503 363084939 /nfs/dbraw/zinc/08/49/39/363084939.db2.gz NXENZUWZKJXLOH-CQSZACIVSA-N 2 2 283.379 2.319 10 0 CEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133592330 366238385 /nfs/dbraw/zinc/23/83/85/366238385.db2.gz AIIYTZRPRBBEFP-CQSZACIVSA-N 3 2 272.396 2.076 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000165910307 540327269 /nfs/dbraw/zinc/32/72/69/540327269.db2.gz AWLQMQYJQFGXTB-KRWDZBQOSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000165910307 540327271 /nfs/dbraw/zinc/32/72/71/540327271.db2.gz AWLQMQYJQFGXTB-KRWDZBQOSA-N 2 2 274.408 2.374 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000178286164 189102930 /nfs/dbraw/zinc/10/29/30/189102930.db2.gz AKFGCDXYTRUJAX-CYBMUJFWSA-N 2 2 287.367 2.117 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000178286164 189102931 /nfs/dbraw/zinc/10/29/31/189102931.db2.gz AKFGCDXYTRUJAX-CYBMUJFWSA-N 2 2 287.367 2.117 10 0 CEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC2CC2)nc[nH+]1 ZINC000180578104 189263024 /nfs/dbraw/zinc/26/30/24/189263024.db2.gz JJLWDPMJIZLJJB-GXTWGEPZSA-N 2 2 289.427 2.265 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC2CC2)nc[nH+]1 ZINC000180578069 189263207 /nfs/dbraw/zinc/26/32/07/189263207.db2.gz JJLWDPMJIZLJJB-JSGCOSHPSA-N 2 2 289.427 2.265 10 0 CEAELP CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000028101238 361667139 /nfs/dbraw/zinc/66/71/39/361667139.db2.gz HBYIEJQLZYCNSI-CYBMUJFWSA-N 2 2 289.379 2.205 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc[nH]n3)C2)[nH+]1 ZINC000092813420 364109530 /nfs/dbraw/zinc/10/95/30/364109530.db2.gz WQPBJFPGHSZAMT-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)[nH+]1 ZINC000092813420 364109533 /nfs/dbraw/zinc/10/95/33/364109533.db2.gz WQPBJFPGHSZAMT-CYBMUJFWSA-N 2 2 271.368 2.047 10 0 CEAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000261583896 291304811 /nfs/dbraw/zinc/30/48/11/291304811.db2.gz HKURSDREYSPYFN-SMDDNHRTSA-N 2 2 260.381 2.322 10 0 CEAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2c1OC(C)(C)C2 ZINC000261583896 291304814 /nfs/dbraw/zinc/30/48/14/291304814.db2.gz HKURSDREYSPYFN-SMDDNHRTSA-N 2 2 260.381 2.322 10 0 CEAELP c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000157742706 366848612 /nfs/dbraw/zinc/84/86/12/366848612.db2.gz PZCBESFSKIQBAX-GFCCVEGCSA-N 2 2 258.325 2.004 10 0 CEAELP c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000157742706 366848617 /nfs/dbraw/zinc/84/86/17/366848617.db2.gz PZCBESFSKIQBAX-GFCCVEGCSA-N 2 2 258.325 2.004 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245733555 370866333 /nfs/dbraw/zinc/86/63/33/370866333.db2.gz WIHSPOVZECBNOT-OCCSQVGLSA-N 2 2 276.384 2.240 10 0 CEAELP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245733555 370866336 /nfs/dbraw/zinc/86/63/36/370866336.db2.gz WIHSPOVZECBNOT-OCCSQVGLSA-N 2 2 276.384 2.240 10 0 CEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000173345890 367899924 /nfs/dbraw/zinc/89/99/24/367899924.db2.gz POVUWTBLIZYLLJ-TZMCWYRMSA-N 2 2 298.377 2.462 10 0 CEAELP CC(C)OC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173778806 367943135 /nfs/dbraw/zinc/94/31/35/367943135.db2.gz IOAPRLJPKBDOEH-CQSZACIVSA-N 2 2 291.395 2.157 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)OCC(C)C)C1 ZINC000181453176 368457632 /nfs/dbraw/zinc/45/76/32/368457632.db2.gz MXGBNMOZEDDWFF-CQSZACIVSA-N 2 2 293.411 2.282 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000181453176 368457638 /nfs/dbraw/zinc/45/76/38/368457638.db2.gz MXGBNMOZEDDWFF-CQSZACIVSA-N 2 2 293.411 2.282 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000634998494 369029870 /nfs/dbraw/zinc/02/98/70/369029870.db2.gz GJLSADZYCSQNMJ-SCZZXKLOSA-N 2 2 258.287 2.131 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2F)C[C@@H]1C[NH3+] ZINC000634998494 369029873 /nfs/dbraw/zinc/02/98/73/369029873.db2.gz GJLSADZYCSQNMJ-SCZZXKLOSA-N 2 2 258.287 2.131 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246811830 371015644 /nfs/dbraw/zinc/01/56/44/371015644.db2.gz AAGSHQIDJUBZII-UONOGXRCSA-N 2 2 291.395 2.157 10 0 CEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246811830 371015647 /nfs/dbraw/zinc/01/56/47/371015647.db2.gz AAGSHQIDJUBZII-UONOGXRCSA-N 2 2 291.395 2.157 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c(F)cccc3F)C[C@@H]12 ZINC000261592790 371667050 /nfs/dbraw/zinc/66/70/50/371667050.db2.gz YRABNKUPIYAQEG-IMSIIYSGSA-N 2 2 252.308 2.134 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3F)C[C@@H]12 ZINC000261592790 371667058 /nfs/dbraw/zinc/66/70/58/371667058.db2.gz YRABNKUPIYAQEG-IMSIIYSGSA-N 2 2 252.308 2.134 10 0 CEAELP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000261962769 371786559 /nfs/dbraw/zinc/78/65/59/371786559.db2.gz HMVBRYMNRWSDQK-BBRMVZONSA-N 2 2 284.407 2.175 10 0 CEAELP Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000261962769 371786565 /nfs/dbraw/zinc/78/65/65/371786565.db2.gz HMVBRYMNRWSDQK-BBRMVZONSA-N 2 2 284.407 2.175 10 0 CEAELP C[C@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1[NH3+] ZINC000262063344 371814916 /nfs/dbraw/zinc/81/49/16/371814916.db2.gz RKHUROVHFVQBAG-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1[NH3+] ZINC000262063344 371814921 /nfs/dbraw/zinc/81/49/21/371814921.db2.gz RKHUROVHFVQBAG-KBXCAEBGSA-N 2 2 297.402 2.440 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156383 375298877 /nfs/dbraw/zinc/29/88/77/375298877.db2.gz KTWGBRVMTCVRAX-SZMVWBNQSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156383 375298881 /nfs/dbraw/zinc/29/88/81/375298881.db2.gz KTWGBRVMTCVRAX-SZMVWBNQSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000389156383 375298887 /nfs/dbraw/zinc/29/88/87/375298887.db2.gz KTWGBRVMTCVRAX-SZMVWBNQSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000389156383 375298893 /nfs/dbraw/zinc/29/88/93/375298893.db2.gz KTWGBRVMTCVRAX-SZMVWBNQSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000389298787 375300288 /nfs/dbraw/zinc/30/02/88/375300288.db2.gz ZDSJCIMQTANUHU-HNNXBMFYSA-N 2 2 270.380 2.261 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)C1 ZINC000389298787 375300292 /nfs/dbraw/zinc/30/02/92/375300292.db2.gz ZDSJCIMQTANUHU-HNNXBMFYSA-N 2 2 270.380 2.261 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000192009492 249340026 /nfs/dbraw/zinc/34/00/26/249340026.db2.gz VRHVYCLTFHZGIT-CYBMUJFWSA-N 2 2 271.368 2.073 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000192009492 249340031 /nfs/dbraw/zinc/34/00/31/249340031.db2.gz VRHVYCLTFHZGIT-CYBMUJFWSA-N 2 2 271.368 2.073 10 0 CEAELP C[NH+](C)C[C@H](N[C@H]1CCn2cc[nH+]c21)c1ccccc1 ZINC000293880545 377803807 /nfs/dbraw/zinc/80/38/07/377803807.db2.gz FRQIOWRGSLYILW-GJZGRUSLSA-N 2 2 270.380 2.220 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC(C)(C)O)s1 ZINC000092958597 184638559 /nfs/dbraw/zinc/63/85/59/184638559.db2.gz SIEMOJVRPFIWRA-ZYHUDNBSSA-N 2 2 256.415 2.148 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC(C)(C)O)s1 ZINC000092958597 184638560 /nfs/dbraw/zinc/63/85/60/184638560.db2.gz SIEMOJVRPFIWRA-ZYHUDNBSSA-N 2 2 256.415 2.148 10 0 CEAELP COc1ccc2c(c1)[C@@]([NH3+])(Cc1[nH+]ccn1C)CCC2 ZINC000094143391 184756498 /nfs/dbraw/zinc/75/64/98/184756498.db2.gz YGHFAHPHGAFXEH-INIZCTEOSA-N 2 2 271.364 2.162 10 0 CEAELP C[NH2+][C@H](CSc1ccccc1F)Cc1[nH+]ccn1C ZINC000094162411 184757261 /nfs/dbraw/zinc/75/72/61/184757261.db2.gz JPPHCCHMIDBTFG-NSHDSACASA-N 2 2 279.384 2.482 10 0 CEAELP CC[NH2+][C@H]1[C@H](N2CCn3cc[nH+]c3C2)CCCC1(C)C ZINC000094275442 184774348 /nfs/dbraw/zinc/77/43/48/184774348.db2.gz FSTZUYYAQLHLKI-HIFRSBDPSA-N 2 2 276.428 2.256 10 0 CEAELP Cc1[nH+]cn(-c2nc(C(F)(F)F)ccc2C[NH3+])c1C ZINC000094334388 184782282 /nfs/dbraw/zinc/78/22/82/184782282.db2.gz MNKDMVVBGNCDFX-UHFFFAOYSA-N 2 2 270.258 2.362 10 0 CEAELP CCC[NH2+][C@H](CC1CCCCC1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510801 184812892 /nfs/dbraw/zinc/81/28/92/184812892.db2.gz SXDHFKXBZLZJKV-SJORKVTESA-N 2 2 279.472 2.325 10 0 CEAELP C[NH2+]CCc1cn(C[C@@H]2Cc3ccccc3S2)c[nH+]1 ZINC000094529651 184814435 /nfs/dbraw/zinc/81/44/35/184814435.db2.gz JVMGEECCEGJMHC-AWEZNQCLSA-N 2 2 273.405 2.362 10 0 CEAELP Cc1cccc(N2CC[NH+]([C@H]3C[NH2+]CC[C@H]3C)CC2)c1 ZINC000090695438 135064218 /nfs/dbraw/zinc/06/42/18/135064218.db2.gz FATJMEXDKRIEKW-WBVHZDCISA-N 2 2 273.424 2.115 10 0 CEAELP NC(=[NH2+])[C@H]1CCCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090802781 135066131 /nfs/dbraw/zinc/06/61/31/135066131.db2.gz JQNFDLBCSNCIMT-QMMMGPOBSA-N 2 2 272.274 2.253 10 0 CEAELP C[N@@H+]1CCO[C@H](CNc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000092055891 135075341 /nfs/dbraw/zinc/07/53/41/135075341.db2.gz WGEMMRUKLGTPQE-QGZVFWFLSA-N 2 2 289.423 2.419 10 0 CEAELP C[N@H+]1CCO[C@H](CNc2ccc([NH+]3CCCCC3)cc2)C1 ZINC000092055891 135075342 /nfs/dbraw/zinc/07/53/42/135075342.db2.gz WGEMMRUKLGTPQE-QGZVFWFLSA-N 2 2 289.423 2.419 10 0 CEAELP FC(F)(F)c1cc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261613649 394604006 /nfs/dbraw/zinc/60/40/06/394604006.db2.gz SUTPSMZXIWWXBL-ONGXEEELSA-N 2 2 271.286 2.289 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729339 394918340 /nfs/dbraw/zinc/91/83/40/394918340.db2.gz XJBKCBLNYMDIMY-ZIAGYGMSSA-N 2 2 297.443 2.070 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131729339 394918342 /nfs/dbraw/zinc/91/83/42/394918342.db2.gz XJBKCBLNYMDIMY-ZIAGYGMSSA-N 2 2 297.443 2.070 10 0 CEAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000188412369 153054437 /nfs/dbraw/zinc/05/44/37/153054437.db2.gz ZLMAKPPBICKMHW-HNNXBMFYSA-N 2 2 299.374 2.319 10 0 CEAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c[nH+]1 ZINC000188412369 153054441 /nfs/dbraw/zinc/05/44/41/153054441.db2.gz ZLMAKPPBICKMHW-HNNXBMFYSA-N 2 2 299.374 2.319 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223146849 153315712 /nfs/dbraw/zinc/31/57/12/153315712.db2.gz VYPXURNRGMILLR-SOUVJXGZSA-N 2 2 255.450 2.035 10 0 CEAELP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000223146849 153315715 /nfs/dbraw/zinc/31/57/15/153315715.db2.gz VYPXURNRGMILLR-SOUVJXGZSA-N 2 2 255.450 2.035 10 0 CEAELP [NH3+]C[C@H](c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000020225414 171088106 /nfs/dbraw/zinc/08/81/06/171088106.db2.gz CVULYMKTEFSIBV-GOSISDBHSA-N 3 2 287.451 2.494 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)CC(C)C)c(OC)c1 ZINC000020226493 171091890 /nfs/dbraw/zinc/09/18/90/171091890.db2.gz NVJPZRFVVLNFAM-AWEZNQCLSA-N 2 2 266.385 2.291 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)CC(C)C)c(OC)c1 ZINC000020226493 171091891 /nfs/dbraw/zinc/09/18/91/171091891.db2.gz NVJPZRFVVLNFAM-AWEZNQCLSA-N 2 2 266.385 2.291 10 0 CEAELP CC[NH+](CC)CCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040509975 174304160 /nfs/dbraw/zinc/30/41/60/174304160.db2.gz WMGGUKYYBPETAW-UHFFFAOYSA-N 2 2 280.441 2.086 10 0 CEAELP COC(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040622907 174355488 /nfs/dbraw/zinc/35/54/88/174355488.db2.gz WWDBUKHAJBIKLA-CQSZACIVSA-N 2 2 290.407 2.293 10 0 CEAELP COC(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622907 174355491 /nfs/dbraw/zinc/35/54/91/174355491.db2.gz WWDBUKHAJBIKLA-CQSZACIVSA-N 2 2 290.407 2.293 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+]CCc2[nH+]ccn2C)CC1 ZINC000040639031 174362969 /nfs/dbraw/zinc/36/29/69/174362969.db2.gz VAOIESVKNQYVCQ-AWEZNQCLSA-N 3 2 278.444 2.063 10 0 CEAELP c1[nH+]c2n(c1C[NH2+][C@H]1CCOc3ccccc31)CCC2 ZINC000657290871 414837111 /nfs/dbraw/zinc/83/71/11/414837111.db2.gz UVZXSYOJTNDFPZ-AWEZNQCLSA-N 2 2 269.348 2.443 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)[C@@H]1CCSC1 ZINC000043334779 175010351 /nfs/dbraw/zinc/01/03/51/175010351.db2.gz SHEZONRLMGZJEB-WZRBSPASSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043334779 175010352 /nfs/dbraw/zinc/01/03/52/175010352.db2.gz SHEZONRLMGZJEB-WZRBSPASSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)[C@@H]1CCSC1 ZINC000043334778 175010683 /nfs/dbraw/zinc/01/06/83/175010683.db2.gz SHEZONRLMGZJEB-MDZLAQPJSA-N 2 2 254.399 2.495 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043334778 175010684 /nfs/dbraw/zinc/01/06/84/175010684.db2.gz SHEZONRLMGZJEB-MDZLAQPJSA-N 2 2 254.399 2.495 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](C)CCc1ccncc1 ZINC000043335413 175011167 /nfs/dbraw/zinc/01/11/67/175011167.db2.gz HBDIFGLPRKUKLH-WFASDCNBSA-N 2 2 259.353 2.237 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](C)CCc1ccncc1 ZINC000043335413 175011169 /nfs/dbraw/zinc/01/11/69/175011169.db2.gz HBDIFGLPRKUKLH-WFASDCNBSA-N 2 2 259.353 2.237 10 0 CEAELP [NH3+]C[C@H](c1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000043341487 175015433 /nfs/dbraw/zinc/01/54/33/175015433.db2.gz RQYGBWKEXZCIBS-OAHLLOKOSA-N 2 2 264.332 2.493 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348402 175018839 /nfs/dbraw/zinc/01/88/39/175018839.db2.gz GHQGNNNUXCQFLZ-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043348402 175018841 /nfs/dbraw/zinc/01/88/41/175018841.db2.gz GHQGNNNUXCQFLZ-GZBFAFLISA-N 2 2 265.401 2.217 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](CCCO)C(C)C)o1 ZINC000043365164 175026148 /nfs/dbraw/zinc/02/61/48/175026148.db2.gz UXVOMDBAECHDIZ-TZMCWYRMSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](CCCO)C(C)C)o1 ZINC000043365164 175026150 /nfs/dbraw/zinc/02/61/50/175026150.db2.gz UXVOMDBAECHDIZ-TZMCWYRMSA-N 2 2 254.374 2.069 10 0 CEAELP Cc1ccc([C@H]([C@@H](C)[NH3+])[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000043364991 175026484 /nfs/dbraw/zinc/02/64/84/175026484.db2.gz XNOZTNDECAAUNH-CJNGLKHVSA-N 3 2 279.428 2.250 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@H+](CCCO)C(C)C ZINC000043365171 175026662 /nfs/dbraw/zinc/02/66/62/175026662.db2.gz XDYCRFPROJNTQA-UKRRQHHQSA-N 2 2 268.401 2.459 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[N@@H+](CCCO)C(C)C ZINC000043365171 175026664 /nfs/dbraw/zinc/02/66/64/175026664.db2.gz XDYCRFPROJNTQA-UKRRQHHQSA-N 2 2 268.401 2.459 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@H+](C)C1CCCC1)OCCO2 ZINC000043884041 175116552 /nfs/dbraw/zinc/11/65/52/175116552.db2.gz PWLOGUKLHURVJH-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+](C)C1CCCC1)OCCO2 ZINC000043884041 175116553 /nfs/dbraw/zinc/11/65/53/175116553.db2.gz PWLOGUKLHURVJH-HUUCEWRRSA-N 2 2 282.428 2.135 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+](C)CCc1ccncc1 ZINC000043902167 175122910 /nfs/dbraw/zinc/12/29/10/175122910.db2.gz CXYDUAHXGWXBGF-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+](C)CCc1ccncc1 ZINC000043902167 175122912 /nfs/dbraw/zinc/12/29/12/175122912.db2.gz CXYDUAHXGWXBGF-JKSUJKDBSA-N 2 2 261.413 2.477 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@H+](C)[C@@H](C)COC ZINC000043969209 175130671 /nfs/dbraw/zinc/13/06/71/175130671.db2.gz JKZLXCIQUOBBJL-VBNZEHGJSA-N 2 2 262.397 2.229 10 0 CEAELP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1[N@@H+](C)[C@@H](C)COC ZINC000043969209 175130673 /nfs/dbraw/zinc/13/06/73/175130673.db2.gz JKZLXCIQUOBBJL-VBNZEHGJSA-N 2 2 262.397 2.229 10 0 CEAELP Cn1cc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067050 175300340 /nfs/dbraw/zinc/30/03/40/175300340.db2.gz XKHWBPBAMPTGQK-CABCVRRESA-N 2 2 262.401 2.075 10 0 CEAELP Cn1cc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2C2CCCC2)cn1 ZINC000045067050 175300342 /nfs/dbraw/zinc/30/03/42/175300342.db2.gz XKHWBPBAMPTGQK-CABCVRRESA-N 2 2 262.401 2.075 10 0 CEAELP CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313854 /nfs/dbraw/zinc/31/38/54/175313854.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313855 /nfs/dbraw/zinc/31/38/55/175313855.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313856 /nfs/dbraw/zinc/31/38/56/175313856.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313858 /nfs/dbraw/zinc/31/38/58/175313858.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 3 2 267.461 2.181 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373535 175364828 /nfs/dbraw/zinc/36/48/28/175364828.db2.gz TVAFQLLIOOPCLF-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C ZINC000045373535 175364830 /nfs/dbraw/zinc/36/48/30/175364830.db2.gz TVAFQLLIOOPCLF-IJEWVQPXSA-N 2 2 284.444 2.286 10 0 CEAELP CCOC(=O)[C@](C)(CCC[NH+]1CCCC1)[NH2+]C(C)C ZINC000045375406 175366363 /nfs/dbraw/zinc/36/63/63/175366363.db2.gz WCIRTSSBLKGHKU-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378103 175367777 /nfs/dbraw/zinc/36/77/77/175367777.db2.gz FUBOXLLJDGPJPY-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP CCOC(=O)[C@@](C)(CCC[N@@H+](C)C(C)C)[NH2+]C1CC1 ZINC000045378103 175367778 /nfs/dbraw/zinc/36/77/78/175367778.db2.gz FUBOXLLJDGPJPY-OAHLLOKOSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381886 175369921 /nfs/dbraw/zinc/36/99/21/175369921.db2.gz AGAPDYKQCIFLBE-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)CC(C)C ZINC000045381886 175369923 /nfs/dbraw/zinc/36/99/23/175369923.db2.gz AGAPDYKQCIFLBE-INIZCTEOSA-N 2 2 284.444 2.428 10 0 CEAELP CC[N@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092217 176032023 /nfs/dbraw/zinc/03/20/23/176032023.db2.gz UNDROZLFSNUAOH-NVXWUHKLSA-N 2 2 274.408 2.374 10 0 CEAELP CC[N@@H+](C[C@H]1OCCc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000071092217 176032026 /nfs/dbraw/zinc/03/20/26/176032026.db2.gz UNDROZLFSNUAOH-NVXWUHKLSA-N 2 2 274.408 2.374 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@H+](C)C1CCOCC1 ZINC000071161684 176046756 /nfs/dbraw/zinc/04/67/56/176046756.db2.gz FGZNLRHKZCDTSK-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@H]1CCCC[C@@]1(C[NH3+])[N@@H+](C)C1CCOCC1 ZINC000071161684 176046757 /nfs/dbraw/zinc/04/67/57/176046757.db2.gz FGZNLRHKZCDTSK-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169815 176050675 /nfs/dbraw/zinc/05/06/75/176050675.db2.gz XNMDHYFMHPJOHL-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169815 176050676 /nfs/dbraw/zinc/05/06/76/176050676.db2.gz XNMDHYFMHPJOHL-ZFWWWQNUSA-N 2 2 262.397 2.310 10 0 CEAELP COc1ccc(CC[N@@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197903 176076819 /nfs/dbraw/zinc/07/68/19/176076819.db2.gz NEIMPGMTSRSZJE-HNNXBMFYSA-N 2 2 260.381 2.064 10 0 CEAELP COc1ccc(CC[N@H+]2CC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000071197903 176076821 /nfs/dbraw/zinc/07/68/21/176076821.db2.gz NEIMPGMTSRSZJE-HNNXBMFYSA-N 2 2 260.381 2.064 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267914 176101714 /nfs/dbraw/zinc/10/17/14/176101714.db2.gz HDDFGYOYBICRIU-UHFFFAOYSA-N 3 2 292.402 2.026 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267914 176101716 /nfs/dbraw/zinc/10/17/16/176101716.db2.gz HDDFGYOYBICRIU-UHFFFAOYSA-N 3 2 292.402 2.026 10 0 CEAELP Cn1cc[nH+]c1CNc1ccc(N)c2c[nH+]ccc12 ZINC000071275473 176106724 /nfs/dbraw/zinc/10/67/24/176106724.db2.gz XINJGDFJUVJVHP-UHFFFAOYSA-N 2 2 253.309 2.163 10 0 CEAELP CCC1(CC)C[NH2+]C2(CCCC2)C[N@@H+]1CCOC ZINC000071359091 176137377 /nfs/dbraw/zinc/13/73/77/176137377.db2.gz QGGAEILWZFFEEX-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP CCC1(CC)C[NH2+]C2(CCCC2)C[N@H+]1CCOC ZINC000071359091 176137378 /nfs/dbraw/zinc/13/73/78/176137378.db2.gz QGGAEILWZFFEEX-UHFFFAOYSA-N 2 2 254.418 2.410 10 0 CEAELP Cc1c(C[NH2+][C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000406025963 289293307 /nfs/dbraw/zinc/29/33/07/289293307.db2.gz HHZZSXPYXGFQKF-SFHVURJKSA-N 2 2 298.434 2.483 10 0 CEAELP Cc1c(C[NH2+][C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000406025963 289293311 /nfs/dbraw/zinc/29/33/11/289293311.db2.gz HHZZSXPYXGFQKF-SFHVURJKSA-N 2 2 298.434 2.483 10 0 CEAELP C[N@H+](Cc1ncccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000530216743 298053300 /nfs/dbraw/zinc/05/33/00/298053300.db2.gz DJPUBDODRPAVHV-LLVKDONJSA-N 2 2 253.777 2.309 10 0 CEAELP C[N@@H+](Cc1ncccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000530216743 298053303 /nfs/dbraw/zinc/05/33/03/298053303.db2.gz DJPUBDODRPAVHV-LLVKDONJSA-N 2 2 253.777 2.309 10 0 CEAELP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419890 519743742 /nfs/dbraw/zinc/74/37/42/519743742.db2.gz SYQFDSFWESGRRN-OAHLLOKOSA-N 3 2 269.477 2.427 10 0 CEAELP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419890 519743744 /nfs/dbraw/zinc/74/37/44/519743744.db2.gz SYQFDSFWESGRRN-OAHLLOKOSA-N 3 2 269.477 2.427 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1F ZINC000062803189 522337241 /nfs/dbraw/zinc/33/72/41/522337241.db2.gz VHELKVHAHRJOHH-LBPRGKRZSA-N 2 2 265.307 2.489 10 0 CEAELP CC[C@H]([NH2+]C)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062051510 522555666 /nfs/dbraw/zinc/55/56/66/522555666.db2.gz HNBJDKCVXWKJPO-HOCLYGCPSA-N 3 2 267.461 2.181 10 0 CEAELP C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000400359869 534025463 /nfs/dbraw/zinc/02/54/63/534025463.db2.gz CRHPZHKVFDCHFK-UONOGXRCSA-N 2 2 274.412 2.482 10 0 CEAELP CC(C)(C)[NH2+]Cc1c(-n2cc[nH+]c2)nc2sccn12 ZINC000062738557 518762697 /nfs/dbraw/zinc/76/26/97/518762697.db2.gz XNMJRSSSNRCSMD-UHFFFAOYSA-N 2 2 275.381 2.470 10 0 CEAELP CC(C)C[C@H]1CN(Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000068692970 519414518 /nfs/dbraw/zinc/41/45/18/519414518.db2.gz JTNPPTYTBUAGAY-AWEZNQCLSA-N 2 2 272.396 2.154 10 0 CEAELP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)C(=O)OCC)CC1 ZINC000049369780 519847835 /nfs/dbraw/zinc/84/78/35/519847835.db2.gz XCUDBVYLEUURKC-STQMWFEESA-N 2 2 270.417 2.038 10 0 CEAELP CC(C)c1[nH+]ccn1[C@@H](C)C[NH2+]C[C@@H]1CCCO1 ZINC000053525277 519880466 /nfs/dbraw/zinc/88/04/66/519880466.db2.gz AEOBRTPAQGTILX-STQMWFEESA-N 2 2 251.374 2.336 10 0 CEAELP CC[NH2+]CC[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417247 519928865 /nfs/dbraw/zinc/92/88/65/519928865.db2.gz OHQVSPKQFCREKH-CYBMUJFWSA-N 2 2 292.423 2.450 10 0 CEAELP CC[NH2+]CC[C@@H](C)[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417247 519928869 /nfs/dbraw/zinc/92/88/69/519928869.db2.gz OHQVSPKQFCREKH-CYBMUJFWSA-N 2 2 292.423 2.450 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000052380324 519991153 /nfs/dbraw/zinc/99/11/53/519991153.db2.gz DSIIEOVBLKFREN-VXGBXAGGSA-N 2 2 266.385 2.307 10 0 CEAELP CC[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237356 520967160 /nfs/dbraw/zinc/96/71/60/520967160.db2.gz OPODDBOWRSUTAK-MRXNPFEDSA-N 2 2 278.396 2.436 10 0 CEAELP CC[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000069237356 520967165 /nfs/dbraw/zinc/96/71/65/520967165.db2.gz OPODDBOWRSUTAK-MRXNPFEDSA-N 2 2 278.396 2.436 10 0 CEAELP CCC(CC)[N@H+](CCOC)Cc1csc(C[NH3+])n1 ZINC000052573352 521562358 /nfs/dbraw/zinc/56/23/58/521562358.db2.gz LEEVFJKWBXHKED-UHFFFAOYSA-N 2 2 271.430 2.239 10 0 CEAELP CCC(CC)[N@@H+](CCOC)Cc1csc(C[NH3+])n1 ZINC000052573352 521562363 /nfs/dbraw/zinc/56/23/63/521562363.db2.gz LEEVFJKWBXHKED-UHFFFAOYSA-N 2 2 271.430 2.239 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2cc(C[NH2+]C(C)C)no2)CC1 ZINC000052544011 521564750 /nfs/dbraw/zinc/56/47/50/521564750.db2.gz KGHOGTZTSVMARW-UHFFFAOYSA-N 3 2 294.443 2.089 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C[NH2+]C(C)C)no2)CC1 ZINC000052544011 521564756 /nfs/dbraw/zinc/56/47/56/521564756.db2.gz KGHOGTZTSVMARW-UHFFFAOYSA-N 3 2 294.443 2.089 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@H+](CCCOC)CCOC ZINC000052203804 521952987 /nfs/dbraw/zinc/95/29/87/521952987.db2.gz YVAXDWMEWCBXDX-KRWDZBQOSA-N 2 2 294.439 2.234 10 0 CEAELP CCc1ccccc1[C@H](C[NH3+])[N@@H+](CCCOC)CCOC ZINC000052203804 521952991 /nfs/dbraw/zinc/95/29/91/521952991.db2.gz YVAXDWMEWCBXDX-KRWDZBQOSA-N 2 2 294.439 2.234 10 0 CEAELP CCc1[nH+]c2cc(N)ccc2n1CCCn1cc[nH+]c1 ZINC000052852196 522486166 /nfs/dbraw/zinc/48/61/66/522486166.db2.gz IZQUFGSVZUASNV-UHFFFAOYSA-N 2 2 269.352 2.468 10 0 CEAELP CC[C@H]1C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022834 523302986 /nfs/dbraw/zinc/30/29/86/523302986.db2.gz IQEKNGHJAZEBKJ-KBPBESRZSA-N 2 2 261.369 2.165 10 0 CEAELP CC[C@H]1C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022834 523302993 /nfs/dbraw/zinc/30/29/93/523302993.db2.gz IQEKNGHJAZEBKJ-KBPBESRZSA-N 2 2 261.369 2.165 10 0 CEAELP CC[C@@H]1C[N@H+](CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181696 523437689 /nfs/dbraw/zinc/43/76/89/523437689.db2.gz QFQVYZJVFOUOPT-MRXNPFEDSA-N 2 2 298.471 2.140 10 0 CEAELP CC[C@@H]1C[N@@H+](CC2(C[NH2+]CC(C)C)CCOCC2)CCO1 ZINC000052181696 523437697 /nfs/dbraw/zinc/43/76/97/523437697.db2.gz QFQVYZJVFOUOPT-MRXNPFEDSA-N 2 2 298.471 2.140 10 0 CEAELP COCC[N@H+](CC(C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052508359 523681199 /nfs/dbraw/zinc/68/11/99/523681199.db2.gz CPOSSFHQYUBUQO-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP COCC[N@@H+](CC(C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052508359 523681205 /nfs/dbraw/zinc/68/12/05/523681205.db2.gz CPOSSFHQYUBUQO-OAHLLOKOSA-N 2 2 256.434 2.367 10 0 CEAELP COC(=O)[C@@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)[NH2+]C1CC1 ZINC000068650086 523815819 /nfs/dbraw/zinc/81/58/19/523815819.db2.gz NDKWHIGIJVYJRG-MEBBXXQBSA-N 2 2 279.384 2.135 10 0 CEAELP CC[C@H](C)[N@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547166 523938833 /nfs/dbraw/zinc/93/88/33/523938833.db2.gz GUVXGPHZCVFRLS-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP CC[C@H](C)[N@@H+](CCOC)Cc1csc(C[NH2+]C)n1 ZINC000052547166 523938838 /nfs/dbraw/zinc/93/88/38/523938838.db2.gz GUVXGPHZCVFRLS-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053010819 524045795 /nfs/dbraw/zinc/04/57/95/524045795.db2.gz MDGVSBJEYVEYBS-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053010819 524045796 /nfs/dbraw/zinc/04/57/96/524045796.db2.gz MDGVSBJEYVEYBS-CQSZACIVSA-N 3 2 269.477 2.284 10 0 CEAELP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061812038 524106189 /nfs/dbraw/zinc/10/61/89/524106189.db2.gz MZTCZIMEYFQHPH-GFCCVEGCSA-N 2 2 292.452 2.392 10 0 CEAELP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(C(N)=S)c1 ZINC000061812038 524106199 /nfs/dbraw/zinc/10/61/99/524106199.db2.gz MZTCZIMEYFQHPH-GFCCVEGCSA-N 2 2 292.452 2.392 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000052570470 524191775 /nfs/dbraw/zinc/19/17/75/524191775.db2.gz PRUQSIOQFIHRLQ-GFCCVEGCSA-N 2 2 252.406 2.019 10 0 CEAELP C[C@H](CC[NH2+]C(C)(C)C)[N@@H+](C)Cc1cnn(C)c1 ZINC000052570470 524191776 /nfs/dbraw/zinc/19/17/76/524191776.db2.gz PRUQSIOQFIHRLQ-GFCCVEGCSA-N 2 2 252.406 2.019 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382396 524618715 /nfs/dbraw/zinc/61/87/15/524618715.db2.gz RHUVIALSWDNMEH-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(C[NH2+]C(C)(C)C)o2)CCO1 ZINC000052382396 524618724 /nfs/dbraw/zinc/61/87/24/524618724.db2.gz RHUVIALSWDNMEH-LBPRGKRZSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757508 525018059 /nfs/dbraw/zinc/01/80/59/525018059.db2.gz IZWHFTXTYRQDBI-YRGRVCCFSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]([NH3+])[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757508 525018068 /nfs/dbraw/zinc/01/80/68/525018068.db2.gz IZWHFTXTYRQDBI-YRGRVCCFSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]1CN(Cc2cn3ccccc3[nH+]2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000068699498 525022747 /nfs/dbraw/zinc/02/27/47/525022747.db2.gz GPRLIBKTMJKWQR-CXAGYDPISA-N 2 2 284.407 2.297 10 0 CEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757148 525380344 /nfs/dbraw/zinc/38/03/44/525380344.db2.gz DSXXHKQDBDWDAO-UNEWFSDZSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052757148 525380351 /nfs/dbraw/zinc/38/03/51/525380351.db2.gz DSXXHKQDBDWDAO-UNEWFSDZSA-N 2 2 292.423 2.320 10 0 CEAELP Cc1cc2[nH+]cn(Cc3ccnc(C(N)=[NH2+])c3)c2cc1C ZINC000068762094 525685922 /nfs/dbraw/zinc/68/59/22/525685922.db2.gz NKIZDUCZOUIBEP-UHFFFAOYSA-N 2 2 279.347 2.381 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757232 525980083 /nfs/dbraw/zinc/98/00/83/525980083.db2.gz WONMVWRAFZTMHN-GUTXKFCHSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@@H]2CCCO)o1 ZINC000052757232 525980097 /nfs/dbraw/zinc/98/00/97/525980097.db2.gz WONMVWRAFZTMHN-GUTXKFCHSA-N 2 2 266.385 2.213 10 0 CEAELP c1cn(CC[NH2+]C2CCOCC2)c(-c2ccccc2)[nH+]1 ZINC000062767978 526533376 /nfs/dbraw/zinc/53/33/76/526533376.db2.gz ZVZRTADSLQKQKB-UHFFFAOYSA-N 2 2 271.364 2.319 10 0 CEAELP Cc1occc1C[N@@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590146 526826225 /nfs/dbraw/zinc/82/62/25/526826225.db2.gz BJRLVMNASAKQMI-CYBMUJFWSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1occc1C[N@H+](C)[C@@]1(C[NH3+])CCCSC1 ZINC000061590146 526826226 /nfs/dbraw/zinc/82/62/26/526826226.db2.gz BJRLVMNASAKQMI-CYBMUJFWSA-N 2 2 254.399 2.244 10 0 CEAELP Cc1nc(C[NH2+]C[C@H](C[NH3+])c2ccccc2)cs1 ZINC000061613670 526887587 /nfs/dbraw/zinc/88/75/87/526887587.db2.gz IXWSDWFPOYYGKD-ZDUSSCGKSA-N 2 2 261.394 2.284 10 0 CEAELP [NH3+]Cc1ccc(Cl)cc1N1CCn2cc[nH+]c2C1 ZINC000062787075 527253786 /nfs/dbraw/zinc/25/37/86/527253786.db2.gz DOOBYUNPWJXFHA-UHFFFAOYSA-N 2 2 262.744 2.015 10 0 CEAELP [NH3+]Cc1occc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417116 527268419 /nfs/dbraw/zinc/26/84/19/527268419.db2.gz GGKQNYJXANWCPE-UHFFFAOYSA-N 2 2 285.391 2.056 10 0 CEAELP Cc1ncc(C[NH2+]C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1 ZINC000049538895 527271571 /nfs/dbraw/zinc/27/15/71/527271571.db2.gz YWAGBLRRUAMIKH-BZPMIXESSA-N 2 2 265.426 2.462 10 0 CEAELP Cc1ncc(C[NH2+]C[C@H]([NH3+])Cc2ccccc2)s1 ZINC000049538860 527271860 /nfs/dbraw/zinc/27/18/60/527271860.db2.gz DFRDQJBXPSLSLC-CYBMUJFWSA-N 2 2 261.394 2.111 10 0 CEAELP NNc1[nH+]cccc1C[N@H+](Cc1ccco1)C1CC1 ZINC000052722477 527287299 /nfs/dbraw/zinc/28/72/99/527287299.db2.gz NKGGYUVJMXQJBE-UHFFFAOYSA-N 2 2 258.325 2.125 10 0 CEAELP NNc1[nH+]cccc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000052722477 527287303 /nfs/dbraw/zinc/28/73/03/527287303.db2.gz NKGGYUVJMXQJBE-UHFFFAOYSA-N 2 2 258.325 2.125 10 0 CEAELP O=C(Nc1cccc(Cl)c1-n1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000062113248 527345218 /nfs/dbraw/zinc/34/52/18/527345218.db2.gz HPHAKWVIMDIJQJ-JTQLQIEISA-N 2 2 290.754 2.074 10 0 CEAELP Cc1[nH+]cn(-c2cc(C(N)=[NH2+])c3ccccc3n2)c1C ZINC000068798121 527459579 /nfs/dbraw/zinc/45/95/79/527459579.db2.gz ITBIYXJLYCUWFX-UHFFFAOYSA-N 2 2 265.320 2.321 10 0 CEAELP C[N@H+](Cc1cnc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231670995 639871201 /nfs/dbraw/zinc/87/12/01/639871201.db2.gz RJWPXRDYFFJLDS-SECBINFHSA-N 2 2 259.806 2.370 10 0 CEAELP C[N@@H+](Cc1cnc(Cl)s1)[C@@H]1CCC[NH2+]CC1 ZINC000231670995 639871207 /nfs/dbraw/zinc/87/12/07/639871207.db2.gz RJWPXRDYFFJLDS-SECBINFHSA-N 2 2 259.806 2.370 10 0 CEAELP COc1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)nn1C ZINC000134333739 652822677 /nfs/dbraw/zinc/82/26/77/652822677.db2.gz BZWVEOVTJCRFMY-UHFFFAOYSA-N 2 2 294.443 2.136 10 0 CEAELP C[C@]1(c2c[nH+]cn2CCc2cccs2)CC[NH2+]C1 ZINC000097011658 185151986 /nfs/dbraw/zinc/15/19/86/185151986.db2.gz PQUQLPLNZIQQMM-AWEZNQCLSA-N 2 2 261.394 2.438 10 0 CEAELP FC1(F)CCCC[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394503279 539163427 /nfs/dbraw/zinc/16/34/27/539163427.db2.gz SIWLAKPLRDGBJS-YNEHKIRRSA-N 2 2 258.356 2.496 10 0 CEAELP FC1(F)CCCC[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000394503279 539163428 /nfs/dbraw/zinc/16/34/28/539163428.db2.gz SIWLAKPLRDGBJS-YNEHKIRRSA-N 2 2 258.356 2.496 10 0 CEAELP Cn1c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)nc2ccccc21 ZINC000188401109 539178841 /nfs/dbraw/zinc/17/88/41/539178841.db2.gz MWCUTXFHJNOZAA-AWEZNQCLSA-N 2 2 295.390 2.434 10 0 CEAELP Cn1c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)nc2ccccc21 ZINC000188401109 539178842 /nfs/dbraw/zinc/17/88/42/539178842.db2.gz MWCUTXFHJNOZAA-AWEZNQCLSA-N 2 2 295.390 2.434 10 0 CEAELP CCCn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188401308 539178900 /nfs/dbraw/zinc/17/89/00/539178900.db2.gz MOYLQLKHMMJTCS-OAHLLOKOSA-N 2 2 273.384 2.154 10 0 CEAELP CCCn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000188401308 539178901 /nfs/dbraw/zinc/17/89/01/539178901.db2.gz MOYLQLKHMMJTCS-OAHLLOKOSA-N 2 2 273.384 2.154 10 0 CEAELP CCC[N@@H+]1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266463 539213734 /nfs/dbraw/zinc/21/37/34/539213734.db2.gz RBZOOPIIEQFGHW-UHFFFAOYSA-N 2 2 252.402 2.351 10 0 CEAELP CCC[N@H+]1CCC(=O)C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266463 539213735 /nfs/dbraw/zinc/21/37/35/539213735.db2.gz RBZOOPIIEQFGHW-UHFFFAOYSA-N 2 2 252.402 2.351 10 0 CEAELP [NH3+]C[C@H]([NH3+])c1cc(Br)cc(OC(F)(F)F)c1 ZINC000044473218 362153355 /nfs/dbraw/zinc/15/33/55/362153355.db2.gz KCLKLSPFHYGKTC-QMMMGPOBSA-N 2 2 299.090 2.306 10 0 CEAELP Nc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000227991536 344558180 /nfs/dbraw/zinc/55/81/80/344558180.db2.gz FCHKAXFNCHQLQM-CQSZACIVSA-N 2 2 283.379 2.135 10 0 CEAELP Nc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000227991536 344558181 /nfs/dbraw/zinc/55/81/81/344558181.db2.gz FCHKAXFNCHQLQM-CQSZACIVSA-N 2 2 283.379 2.135 10 0 CEAELP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774821 344985117 /nfs/dbraw/zinc/98/51/17/344985117.db2.gz OWAXBTUGCHNNAW-PMPSAXMXSA-N 3 2 267.461 2.085 10 0 CEAELP CCC[NH2+][C@H](C)C[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000084390363 178879191 /nfs/dbraw/zinc/87/91/91/178879191.db2.gz BQDDEVLLSRBDAQ-KGLIPLIRSA-N 3 2 255.450 2.179 10 0 CEAELP CCC[NH2+][C@@H](Cc1[nH+]ccn1C)C[C@@H](C)COC ZINC000097309887 185583585 /nfs/dbraw/zinc/58/35/85/185583585.db2.gz CGJCYJRXIVKZES-CHWSQXEVSA-N 2 2 253.390 2.003 10 0 CEAELP CC[N@H+](CCC[C@](C)(O)C[NH3+])c1ccccc1C ZINC000085303914 179011356 /nfs/dbraw/zinc/01/13/56/179011356.db2.gz VVFBBANUCDSBNY-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@](C)(O)C[NH3+])c1ccccc1C ZINC000085303914 179011358 /nfs/dbraw/zinc/01/13/58/179011358.db2.gz VVFBBANUCDSBNY-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@H+](CCC[C@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300502 179010140 /nfs/dbraw/zinc/01/01/40/179010140.db2.gz NABKAVICNFMBMK-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC[N@@H+](CCC[C@](C)(O)C[NH3+])c1cccc(C)c1 ZINC000085300502 179010144 /nfs/dbraw/zinc/01/01/44/179010144.db2.gz NABKAVICNFMBMK-HNNXBMFYSA-N 2 2 250.386 2.311 10 0 CEAELP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085468582 179072997 /nfs/dbraw/zinc/07/29/97/179072997.db2.gz BLRHATMFNLHOIQ-HRCADAONSA-N 2 2 266.429 2.264 10 0 CEAELP CC(C)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085468582 179073000 /nfs/dbraw/zinc/07/30/00/179073000.db2.gz BLRHATMFNLHOIQ-HRCADAONSA-N 2 2 266.429 2.264 10 0 CEAELP CC[C@H]1C[N@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085474876 179079145 /nfs/dbraw/zinc/07/91/45/179079145.db2.gz FKKHWCHEEXVJJK-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CC[C@H]1C[N@@H+](CC2CCOCC2)C2(CCCC2)C[NH2+]1 ZINC000085474876 179079147 /nfs/dbraw/zinc/07/91/47/179079147.db2.gz FKKHWCHEEXVJJK-HNNXBMFYSA-N 2 2 266.429 2.410 10 0 CEAELP CCOCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512020 179085490 /nfs/dbraw/zinc/08/54/90/179085490.db2.gz OIVRASAONNGWOV-CABCVRRESA-N 2 2 254.418 2.121 10 0 CEAELP CCOCC[N@H+]1C[C@@](C)(C2CC2)[NH2+]C[C@@H]1C(C)C ZINC000085512020 179085491 /nfs/dbraw/zinc/08/54/91/179085491.db2.gz OIVRASAONNGWOV-CABCVRRESA-N 2 2 254.418 2.121 10 0 CEAELP CCC1(CC)C[N@H+](CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000085520612 179087752 /nfs/dbraw/zinc/08/77/52/179087752.db2.gz MCPFTLIWIVKWAL-UHFFFAOYSA-N 2 2 298.471 2.426 10 0 CEAELP CCC1(CC)C[N@@H+](CCOCCOC)C2(CCCC2)C[NH2+]1 ZINC000085520612 179087754 /nfs/dbraw/zinc/08/77/54/179087754.db2.gz MCPFTLIWIVKWAL-UHFFFAOYSA-N 2 2 298.471 2.426 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085498073 179083300 /nfs/dbraw/zinc/08/33/00/179083300.db2.gz AJWVPWRFHATBDE-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085498073 179083301 /nfs/dbraw/zinc/08/33/01/179083301.db2.gz AJWVPWRFHATBDE-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085624045 179107380 /nfs/dbraw/zinc/10/73/80/179107380.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 3 2 278.444 2.372 10 0 CEAELP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085624045 179107383 /nfs/dbraw/zinc/10/73/83/179107383.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 3 2 278.444 2.372 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085618973 179105525 /nfs/dbraw/zinc/10/55/25/179105525.db2.gz UGWAJZPRCVCTIA-BPQIPLTHSA-N 2 2 288.435 2.318 10 0 CEAELP C[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085618973 179105526 /nfs/dbraw/zinc/10/55/26/179105526.db2.gz UGWAJZPRCVCTIA-BPQIPLTHSA-N 2 2 288.435 2.318 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)C2CC2)C12CCCC2 ZINC000085681241 179114028 /nfs/dbraw/zinc/11/40/28/179114028.db2.gz HSEFVRZUWGLDSB-HUUCEWRRSA-N 2 2 266.429 2.408 10 0 CEAELP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)C2CC2)C12CCCC2 ZINC000085681241 179114030 /nfs/dbraw/zinc/11/40/30/179114030.db2.gz HSEFVRZUWGLDSB-HUUCEWRRSA-N 2 2 266.429 2.408 10 0 CEAELP C[NH2+][C@@H](Cc1sccc1Br)C[NH+](C)C ZINC000085798905 179173167 /nfs/dbraw/zinc/17/31/67/179173167.db2.gz ODLNZVFVYNMXHZ-QMMMGPOBSA-N 2 2 277.231 2.203 10 0 CEAELP CC(C)[C@H]1C[N@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297946 179268686 /nfs/dbraw/zinc/26/86/86/179268686.db2.gz ZZQOXBKZEAIUPA-CYBMUJFWSA-N 2 2 253.415 2.006 10 0 CEAELP CC(C)[C@H]1C[N@@H+](CCc2cscn2)CCC[NH2+]1 ZINC000086297946 179268689 /nfs/dbraw/zinc/26/86/89/179268689.db2.gz ZZQOXBKZEAIUPA-CYBMUJFWSA-N 2 2 253.415 2.006 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842881 179353578 /nfs/dbraw/zinc/35/35/78/179353578.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 3 2 269.477 2.425 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[N@H+](C(C)C)CC1 ZINC000086842881 179353579 /nfs/dbraw/zinc/35/35/79/179353579.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 3 2 269.477 2.425 10 0 CEAELP CCC[N@@H+]1CCC[C@]([NH2+]C)(c2nccs2)CC1 ZINC000086851377 179358941 /nfs/dbraw/zinc/35/89/41/179358941.db2.gz WQAKQHXQUQTIPS-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP CCC[N@H+]1CCC[C@]([NH2+]C)(c2nccs2)CC1 ZINC000086851377 179358943 /nfs/dbraw/zinc/35/89/43/179358943.db2.gz WQAKQHXQUQTIPS-CYBMUJFWSA-N 2 2 253.415 2.454 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCOCC2(C)C)CC1 ZINC000086890941 179366075 /nfs/dbraw/zinc/36/60/75/179366075.db2.gz ULCVQTRGYLPKQK-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+]2CCOCC2(C)C)CC1 ZINC000086890941 179366077 /nfs/dbraw/zinc/36/60/77/179366077.db2.gz ULCVQTRGYLPKQK-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP Nc1ccccc1[C@H]1c2ccccc2CC[N@H+]1CC[NH3+] ZINC000616678627 348557913 /nfs/dbraw/zinc/55/79/13/348557913.db2.gz KLRQSSFJZAALHC-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP Nc1ccccc1[C@H]1c2ccccc2CC[N@@H+]1CC[NH3+] ZINC000616678627 348557916 /nfs/dbraw/zinc/55/79/16/348557916.db2.gz KLRQSSFJZAALHC-QGZVFWFLSA-N 2 2 267.376 2.175 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873645 180050236 /nfs/dbraw/zinc/05/02/36/180050236.db2.gz ZMKMEJXDGOKTBA-AEGPPILISA-N 2 2 260.381 2.192 10 0 CEAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090873645 180050237 /nfs/dbraw/zinc/05/02/37/180050237.db2.gz ZMKMEJXDGOKTBA-AEGPPILISA-N 2 2 260.381 2.192 10 0 CEAELP CC[NH2+]C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878919 180053083 /nfs/dbraw/zinc/05/30/83/180053083.db2.gz KNSMPQWMRNVULW-OAHLLOKOSA-N 2 2 278.371 2.203 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@H]1Cc2cc(F)ccc2O1 ZINC000090895630 180056461 /nfs/dbraw/zinc/05/64/61/180056461.db2.gz BZBCWWWEQNPBTN-CQSZACIVSA-N 2 2 275.327 2.054 10 0 CEAELP CCC1CCC(C[NH3+])([N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905673 180059586 /nfs/dbraw/zinc/05/95/86/180059586.db2.gz JVLWNMJSYDIVOZ-HFDVOGEKSA-N 2 2 252.402 2.147 10 0 CEAELP CCC1CCC(C[NH3+])([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905673 180059588 /nfs/dbraw/zinc/05/95/88/180059588.db2.gz JVLWNMJSYDIVOZ-HFDVOGEKSA-N 2 2 252.402 2.147 10 0 CEAELP CC[NH2+][C@@H](CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907513 180061649 /nfs/dbraw/zinc/06/16/49/180061649.db2.gz XSNVLKZUEXCVRZ-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H](CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C ZINC000090907513 180061651 /nfs/dbraw/zinc/06/16/51/180061651.db2.gz XSNVLKZUEXCVRZ-MJBXVCDLSA-N 2 2 254.418 2.264 10 0 CEAELP Cc1cc2[nH]c(C[C@H]3CSCC[NH2+]3)[nH+]c2cc1C ZINC000091128647 180100297 /nfs/dbraw/zinc/10/02/97/180100297.db2.gz SMIHNWMRBIAPTG-NSHDSACASA-N 2 2 261.394 2.427 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@H+](C)Cc1cccc(Cl)c1 ZINC000091318361 180133478 /nfs/dbraw/zinc/13/34/78/180133478.db2.gz DEZVMLKWJSMAOV-CQSZACIVSA-N 2 2 297.830 2.014 10 0 CEAELP CC(C)NC(=O)C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(Cl)c1 ZINC000091318361 180133481 /nfs/dbraw/zinc/13/34/81/180133481.db2.gz DEZVMLKWJSMAOV-CQSZACIVSA-N 2 2 297.830 2.014 10 0 CEAELP Cc1cccc(C[N@@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321103 180134510 /nfs/dbraw/zinc/13/45/10/180134510.db2.gz DRQYIBBHHZPGKZ-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1cccc(C[N@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C)c1 ZINC000091321103 180134512 /nfs/dbraw/zinc/13/45/12/180134512.db2.gz DRQYIBBHHZPGKZ-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1ccccc1C[N@@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321108 180134526 /nfs/dbraw/zinc/13/45/26/180134526.db2.gz MHGYTMFDBOOPFW-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP Cc1ccccc1C[N@H+](C)[C@@H](C[NH3+])CC(=O)NC(C)(C)C ZINC000091321108 180134527 /nfs/dbraw/zinc/13/45/27/180134527.db2.gz MHGYTMFDBOOPFW-OAHLLOKOSA-N 2 2 291.439 2.059 10 0 CEAELP CC(C)n1cncc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272938 180117837 /nfs/dbraw/zinc/11/78/37/180117837.db2.gz KISWXFIJOGYKGH-HOCLYGCPSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1cncc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272938 180117838 /nfs/dbraw/zinc/11/78/38/180117838.db2.gz KISWXFIJOGYKGH-HOCLYGCPSA-N 2 2 276.428 2.428 10 0 CEAELP CC(C)n1c[nH+]cc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000091272938 180117840 /nfs/dbraw/zinc/11/78/40/180117840.db2.gz KISWXFIJOGYKGH-HOCLYGCPSA-N 2 2 276.428 2.428 10 0 CEAELP CN(c1ccccc1)[C@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276155 180118555 /nfs/dbraw/zinc/11/85/55/180118555.db2.gz COPRDCSSBZQJMT-CQSZACIVSA-N 2 2 256.353 2.354 10 0 CEAELP NC(=O)[C@@H]([NH2+]C1CCCCCC1)c1c[nH+]cn1C1CC1 ZINC000091276796 180119551 /nfs/dbraw/zinc/11/95/51/180119551.db2.gz XFAVEAAYOPAJNO-AWEZNQCLSA-N 2 2 276.384 2.057 10 0 CEAELP C[C@@H]([NH3+])CCc1ccc(OCc2c[nH+]cn2C)cc1 ZINC000091278225 180120994 /nfs/dbraw/zinc/12/09/94/180120994.db2.gz SIMCWAVEKKJIBD-GFCCVEGCSA-N 2 2 259.353 2.279 10 0 CEAELP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000091402893 180146855 /nfs/dbraw/zinc/14/68/55/180146855.db2.gz HJKVAPKRBGVLEY-CYBMUJFWSA-N 3 2 255.450 2.037 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000091405589 180147628 /nfs/dbraw/zinc/14/76/28/180147628.db2.gz XQTQXGWKLMZOMW-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000091405589 180147629 /nfs/dbraw/zinc/14/76/29/180147629.db2.gz XQTQXGWKLMZOMW-MELADBBJSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@](C)([C@@H](O)Cc1[nH+]cc(C)c(OC)c1C)[NH+](C)C ZINC000091569115 180195489 /nfs/dbraw/zinc/19/54/89/180195489.db2.gz CSQFYXHSUKGHCM-GOEBONIOSA-N 2 2 280.412 2.341 10 0 CEAELP CC[C@](C)([C@H]([NH3+])CCc1ccccc1)[NH+]1CCOCC1 ZINC000091612154 180206936 /nfs/dbraw/zinc/20/69/36/180206936.db2.gz ASQRBRQRTAVCLG-IAGOWNOFSA-N 2 2 276.424 2.447 10 0 CEAELP CCCn1c2ccc(C)cc2[nH+]c1C[C@](C)(O)C[NH3+] ZINC000091522009 180178065 /nfs/dbraw/zinc/17/80/65/180178065.db2.gz RGKHXXDUZGMSPA-HNNXBMFYSA-N 2 2 261.369 2.007 10 0 CEAELP CC[C@H](C)n1ccc(C[C@@H]([NH3+])C(C)(C)[NH+](C)C)n1 ZINC000091528392 180180000 /nfs/dbraw/zinc/18/00/00/180180000.db2.gz IFNPDIBCMLUGQE-WCQYABFASA-N 2 2 252.406 2.064 10 0 CEAELP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000091543562 180185268 /nfs/dbraw/zinc/18/52/68/180185268.db2.gz KTBNEXRJRHHUCK-VXGBXAGGSA-N 2 2 270.336 2.143 10 0 CEAELP C[NH2+][C@@H](Cc1cc[nH+]c(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640862 180213478 /nfs/dbraw/zinc/21/34/78/180213478.db2.gz JYYRGBNRGWDLEI-HNNXBMFYSA-N 3 2 288.439 2.203 10 0 CEAELP C[NH+](C)C1([C@@H]([NH3+])CC2CCOCC2)CCCCC1 ZINC000091647055 180215315 /nfs/dbraw/zinc/21/53/15/180215315.db2.gz UBFCIDZYFMEDOF-AWEZNQCLSA-N 2 2 254.418 2.395 10 0 CEAELP CN[C@H](Cc1c[nH+]ccc1N)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652615 180217314 /nfs/dbraw/zinc/21/73/14/180217314.db2.gz NTWKJIRFGPJXHY-KBRIMQKVSA-N 2 2 290.455 2.305 10 0 CEAELP C[N@@H+]1CCO[C@@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717094 180232093 /nfs/dbraw/zinc/23/20/93/180232093.db2.gz UCCBMVIZRQHODZ-JKSUJKDBSA-N 2 2 276.424 2.185 10 0 CEAELP C[N@H+]1CCO[C@@H]([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)C1 ZINC000091717094 180232094 /nfs/dbraw/zinc/23/20/94/180232094.db2.gz UCCBMVIZRQHODZ-JKSUJKDBSA-N 2 2 276.424 2.185 10 0 CEAELP CCC[NH2+][C@H](CC[NH+](CC)CC)c1cnccn1 ZINC000091716769 180232122 /nfs/dbraw/zinc/23/21/22/180232122.db2.gz CDVDFRWGRZSZSX-CYBMUJFWSA-N 2 2 250.390 2.249 10 0 CEAELP CC[NH2+][C@@H](Cc1ccnc2ccccc12)C[NH+](C)C ZINC000091719762 180234354 /nfs/dbraw/zinc/23/43/54/180234354.db2.gz PHJDYPCLMXCPEX-AWEZNQCLSA-N 2 2 257.381 2.317 10 0 CEAELP CCC[NH2+][C@H](Cc1ccn([C@@H](C)CC)n1)C[NH+](C)C ZINC000091719929 180234394 /nfs/dbraw/zinc/23/43/94/180234394.db2.gz DYNCGSIABSAUAW-DZGCQCFKSA-N 2 2 266.433 2.326 10 0 CEAELP CC[NH2+][C@H]1CC(C)(C)Cc2nc(C[NH+](C)C)ncc21 ZINC000091722681 180239647 /nfs/dbraw/zinc/23/96/47/180239647.db2.gz CFTYQNTVKBSSOM-LBPRGKRZSA-N 2 2 262.401 2.161 10 0 CEAELP CCCn1c[nH+]cc1[C@H](O)[C@]1(C[NH3+])CCc2ccccc21 ZINC000091926345 180287759 /nfs/dbraw/zinc/28/77/59/180287759.db2.gz QKJCZZXURQAOOW-IRXDYDNUSA-N 2 2 285.391 2.169 10 0 CEAELP Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)n1 ZINC000091994159 180301077 /nfs/dbraw/zinc/30/10/77/180301077.db2.gz ZJHBQIVWUYZJRG-OCCSQVGLSA-N 2 2 272.352 2.176 10 0 CEAELP Cc1ccc(OCc2c[nH+]cn2C)c(C[NH2+]C(C)C)n1 ZINC000091995404 180302551 /nfs/dbraw/zinc/30/25/51/180302551.db2.gz FZUDZAHUJBYINL-UHFFFAOYSA-N 2 2 274.368 2.201 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@@H+]2C[C@H](C)[C@H](C)C2)c1OC ZINC000092082799 180319415 /nfs/dbraw/zinc/31/94/15/180319415.db2.gz OQNJSUNWGCTGTQ-SCRDCRAPSA-N 2 2 278.396 2.291 10 0 CEAELP COc1cccc([C@H](C[NH3+])[N@H+]2C[C@H](C)[C@H](C)C2)c1OC ZINC000092082799 180319416 /nfs/dbraw/zinc/31/94/16/180319416.db2.gz OQNJSUNWGCTGTQ-SCRDCRAPSA-N 2 2 278.396 2.291 10 0 CEAELP CC[NH2+]C1CC[NH+]([C@@H](C)c2c(C)noc2C)CC1 ZINC000092339739 180365250 /nfs/dbraw/zinc/36/52/50/180365250.db2.gz KXGLRISJBFARIX-NSHDSACASA-N 2 2 251.374 2.426 10 0 CEAELP CC[NH2+]C1CC[NH+]([C@H](C)c2c(C)noc2C)CC1 ZINC000092339740 180365350 /nfs/dbraw/zinc/36/53/50/180365350.db2.gz KXGLRISJBFARIX-LLVKDONJSA-N 2 2 251.374 2.426 10 0 CEAELP Cc1noc(C)c1[C@H](C)[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342416 180366007 /nfs/dbraw/zinc/36/60/07/180366007.db2.gz ZRPHLKPRUQIUMR-FZMZJTMJSA-N 2 2 263.385 2.426 10 0 CEAELP Cc1noc(C)c1[C@H](C)[N@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000092342416 180366008 /nfs/dbraw/zinc/36/60/08/180366008.db2.gz ZRPHLKPRUQIUMR-FZMZJTMJSA-N 2 2 263.385 2.426 10 0 CEAELP Nc1cc[nH+]c(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092419390 180382020 /nfs/dbraw/zinc/38/20/20/180382020.db2.gz ANVHTHXWPJXYMT-SECBINFHSA-N 2 2 259.275 2.438 10 0 CEAELP Nc1cc[nH+]c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000092419390 180382021 /nfs/dbraw/zinc/38/20/21/180382021.db2.gz ANVHTHXWPJXYMT-SECBINFHSA-N 2 2 259.275 2.438 10 0 CEAELP CCCOc1cc(NC[C@H](C)[NH+](C)C)ccc1[NH3+] ZINC000111054693 186349320 /nfs/dbraw/zinc/34/93/20/186349320.db2.gz KNMDGMYKJQJLFO-NSHDSACASA-N 2 2 251.374 2.420 10 0 CEAELP CCOc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)cc1 ZINC000111160038 186361734 /nfs/dbraw/zinc/36/17/34/186361734.db2.gz MJCVHACONGKEIH-QGZVFWFLSA-N 2 2 292.423 2.444 10 0 CEAELP CCOc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)cc1 ZINC000111160038 186361736 /nfs/dbraw/zinc/36/17/36/186361736.db2.gz MJCVHACONGKEIH-QGZVFWFLSA-N 2 2 292.423 2.444 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116350 186353279 /nfs/dbraw/zinc/35/32/79/186353279.db2.gz BDHJIECEVPERET-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000111116350 186353280 /nfs/dbraw/zinc/35/32/80/186353280.db2.gz BDHJIECEVPERET-OAHLLOKOSA-N 2 2 266.385 2.053 10 0 CEAELP CCC[NH2+]C[C@@H](C(C)C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174812 186365760 /nfs/dbraw/zinc/36/57/60/186365760.db2.gz LAHBNOHEEFDMMO-GJZGRUSLSA-N 2 2 256.434 2.369 10 0 CEAELP CCC[NH2+]C[C@@H](C(C)C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174812 186365762 /nfs/dbraw/zinc/36/57/62/186365762.db2.gz LAHBNOHEEFDMMO-GJZGRUSLSA-N 2 2 256.434 2.369 10 0 CEAELP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccccc2F)CCCOC1 ZINC000111327663 186399363 /nfs/dbraw/zinc/39/93/63/186399363.db2.gz DUOJEVNMCZRGCH-INIZCTEOSA-N 2 2 280.387 2.274 10 0 CEAELP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccccc2F)CCCOC1 ZINC000111327663 186399364 /nfs/dbraw/zinc/39/93/64/186399364.db2.gz DUOJEVNMCZRGCH-INIZCTEOSA-N 2 2 280.387 2.274 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111229468 186372533 /nfs/dbraw/zinc/37/25/33/186372533.db2.gz IRZNMMLBLNVMEV-GFCCVEGCSA-N 2 2 259.357 2.006 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111229468 186372534 /nfs/dbraw/zinc/37/25/34/186372534.db2.gz IRZNMMLBLNVMEV-GFCCVEGCSA-N 2 2 259.357 2.006 10 0 CEAELP Cc1cc(N2CCC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451923 363083817 /nfs/dbraw/zinc/08/38/17/363083817.db2.gz GIGZUBGHXBGNNQ-UHFFFAOYSA-N 2 2 286.354 2.391 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000252972146 540011659 /nfs/dbraw/zinc/01/16/59/540011659.db2.gz YYSXJAJBJREJRL-NQBHXWOUSA-N 2 2 284.350 2.382 10 0 CEAELP CC[C@@H]1C[NH+](CC23CCC(CC2)[NH2+]3)C[C@@H](CC)O1 ZINC000675056057 540073383 /nfs/dbraw/zinc/07/33/83/540073383.db2.gz JFMCZPBVIVIPNH-PIOWNMBXSA-N 2 2 252.402 2.160 10 0 CEAELP CCOCC[N@@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000134949483 366378268 /nfs/dbraw/zinc/37/82/68/366378268.db2.gz JPUBHTLZAIPOIG-ZDUSSCGKSA-N 2 2 288.395 2.110 10 0 CEAELP CCOCC[N@H+]1CCN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C ZINC000134949483 366378272 /nfs/dbraw/zinc/37/82/72/366378272.db2.gz JPUBHTLZAIPOIG-ZDUSSCGKSA-N 2 2 288.395 2.110 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]12 ZINC000261653699 283596141 /nfs/dbraw/zinc/59/61/41/283596141.db2.gz YLRTYUHHNSDXID-FBIMIBRVSA-N 2 2 271.286 2.274 10 0 CEAELP CCn1nccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180126854 189238377 /nfs/dbraw/zinc/23/83/77/189238377.db2.gz ORBDNEZALURCFF-CQSZACIVSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1nccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180126854 189238378 /nfs/dbraw/zinc/23/83/78/189238378.db2.gz ORBDNEZALURCFF-CQSZACIVSA-N 2 2 273.384 2.073 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(C)C)nc[nH+]1 ZINC000180576256 189262986 /nfs/dbraw/zinc/26/29/86/189262986.db2.gz SONALZIQSLZSKL-OLZOCXBDSA-N 2 2 277.416 2.121 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(C)C)nc[nH+]1 ZINC000180576272 189263159 /nfs/dbraw/zinc/26/31/59/189263159.db2.gz SONALZIQSLZSKL-STQMWFEESA-N 2 2 277.416 2.121 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)n2c1 ZINC000093437745 364181453 /nfs/dbraw/zinc/18/14/53/364181453.db2.gz GBBPTGHFBDFNTO-LSDHHAIUSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]cc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)n2c1 ZINC000093437745 364181455 /nfs/dbraw/zinc/18/14/55/364181455.db2.gz GBBPTGHFBDFNTO-LSDHHAIUSA-N 2 2 284.407 2.311 10 0 CEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000120371120 365413633 /nfs/dbraw/zinc/41/36/33/365413633.db2.gz PZIHKDOHTVXXBT-OLZOCXBDSA-N 2 2 277.416 2.123 10 0 CEAELP CC(C)n1cc[nH+]c1CN1CCCCC[C@@H]([NH3+])C1 ZINC000631834155 367572718 /nfs/dbraw/zinc/57/27/18/367572718.db2.gz QGEQNXNHJIPXAU-CYBMUJFWSA-N 2 2 250.390 2.167 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](CC)C(=O)OC)C1 ZINC000247147794 371070834 /nfs/dbraw/zinc/07/08/34/371070834.db2.gz LIEZLJZVTJGDOA-CHWSQXEVSA-N 2 2 279.384 2.034 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](CC)C(=O)OC)C1 ZINC000247147794 371070838 /nfs/dbraw/zinc/07/08/38/371070838.db2.gz LIEZLJZVTJGDOA-CHWSQXEVSA-N 2 2 279.384 2.034 10 0 CEAELP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248623789 371224652 /nfs/dbraw/zinc/22/46/52/371224652.db2.gz ODGSCFJVIYYMNV-KBPBESRZSA-N 2 2 283.379 2.367 10 0 CEAELP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248623789 371224655 /nfs/dbraw/zinc/22/46/55/371224655.db2.gz ODGSCFJVIYYMNV-KBPBESRZSA-N 2 2 283.379 2.367 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250854416 371392789 /nfs/dbraw/zinc/39/27/89/371392789.db2.gz OQKDNFXVWXNZBB-YDHLFZDLSA-N 2 2 258.365 2.337 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250854416 371392793 /nfs/dbraw/zinc/39/27/93/371392793.db2.gz OQKDNFXVWXNZBB-YDHLFZDLSA-N 2 2 258.365 2.337 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1sccc1Br ZINC000252721206 371472397 /nfs/dbraw/zinc/47/23/97/371472397.db2.gz NBMKBZCHEUOFEM-APPZFPTMSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@H]1c1sccc1Br ZINC000252721206 371472402 /nfs/dbraw/zinc/47/24/02/371472402.db2.gz NBMKBZCHEUOFEM-APPZFPTMSA-N 2 2 275.215 2.462 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nccn3-c3ccccc3)C[C@@H]12 ZINC000261827413 371744465 /nfs/dbraw/zinc/74/44/65/371744465.db2.gz IVKFFJNJANCVEX-FVQBIDKESA-N 2 2 282.391 2.041 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3-c3ccccc3)C[C@@H]12 ZINC000261827413 371744468 /nfs/dbraw/zinc/74/44/68/371744468.db2.gz IVKFFJNJANCVEX-FVQBIDKESA-N 2 2 282.391 2.041 10 0 CEAELP C[N@H+](Cc1nccn1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000261948587 371781139 /nfs/dbraw/zinc/78/11/39/371781139.db2.gz NOYQIETXZXASOH-OAHLLOKOSA-N 2 2 284.407 2.446 10 0 CEAELP C[N@@H+](Cc1nccn1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000261948587 371781147 /nfs/dbraw/zinc/78/11/47/371781147.db2.gz NOYQIETXZXASOH-OAHLLOKOSA-N 2 2 284.407 2.446 10 0 CEAELP c1ccc2c(c1)OC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000268740572 372204347 /nfs/dbraw/zinc/20/43/47/372204347.db2.gz FWAOQUPBIJLWRR-HNNXBMFYSA-N 2 2 258.365 2.337 10 0 CEAELP CC(C)n1cc[nH+]c1CN1[C@@H](C[NH3+])CC[C@@H](C)[C@@H]1C ZINC000641810198 372759093 /nfs/dbraw/zinc/75/90/93/372759093.db2.gz UTSQDCPPBXIPGU-HZSPNIEDSA-N 2 2 264.417 2.412 10 0 CEAELP C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000643470813 373139445 /nfs/dbraw/zinc/13/94/45/373139445.db2.gz GZUSZHRJWBKXQD-KBPBESRZSA-N 2 2 274.412 2.482 10 0 CEAELP Cc1cc2ccccc2[nH+]c1N1CCCO[C@@H](C[NH3+])C1 ZINC000313351516 376745072 /nfs/dbraw/zinc/74/50/72/376745072.db2.gz KPYAYNDVGHJWFQ-AWEZNQCLSA-N 2 2 271.364 2.097 10 0 CEAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000094488115 184809314 /nfs/dbraw/zinc/80/93/14/184809314.db2.gz AFZURFSFNMUEQF-VXGBXAGGSA-N 2 2 253.415 2.393 10 0 CEAELP CC[NH+]1CCC([N@H+](C)Cc2nc3c(cccc3N)o2)CC1 ZINC000094542425 184814886 /nfs/dbraw/zinc/81/48/86/184814886.db2.gz CYBZJCVCEAJKKP-UHFFFAOYSA-N 2 2 288.395 2.326 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)Cc2nc3c(cccc3N)o2)CC1 ZINC000094542425 184814887 /nfs/dbraw/zinc/81/48/87/184814887.db2.gz CYBZJCVCEAJKKP-UHFFFAOYSA-N 2 2 288.395 2.326 10 0 CEAELP C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189915478 130038432 /nfs/dbraw/zinc/03/84/32/130038432.db2.gz FYCWVQHCJRIPCN-AWEZNQCLSA-N 2 2 298.390 2.145 10 0 CEAELP CC[C@H]1C[NH2+]CCN1c1ccc([NH+]2CCCC2)cc1 ZINC000086177812 135039973 /nfs/dbraw/zinc/03/99/73/135039973.db2.gz ZXBZYWDCOHSCRE-AWEZNQCLSA-N 2 2 259.397 2.475 10 0 CEAELP Cc1[nH+]cccc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000091498319 135070954 /nfs/dbraw/zinc/07/09/54/135070954.db2.gz SPNFPJNDHVAFKK-INIZCTEOSA-N 2 2 267.376 2.411 10 0 CEAELP Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)[nH+]cc1N ZINC000092026413 135075197 /nfs/dbraw/zinc/07/51/97/135075197.db2.gz URWZFOPAUMHKBK-MRXNPFEDSA-N 2 2 282.391 2.465 10 0 CEAELP Cc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)[nH+]cc1N ZINC000092026413 135075198 /nfs/dbraw/zinc/07/51/98/135075198.db2.gz URWZFOPAUMHKBK-MRXNPFEDSA-N 2 2 282.391 2.465 10 0 CEAELP C[C@@H]1[NH2+]CC[C@H]1C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000092957711 135077528 /nfs/dbraw/zinc/07/75/28/135077528.db2.gz MENMDHMLGPQRLA-KBPBESRZSA-N 2 2 293.842 2.460 10 0 CEAELP C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000341471978 395002667 /nfs/dbraw/zinc/00/26/67/395002667.db2.gz USDHVFJKAZEVEW-KYEXWDHISA-N 2 2 266.429 2.405 10 0 CEAELP C[C@H]1C[C@@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C[N@H+]1C1CC1 ZINC000341471978 395002670 /nfs/dbraw/zinc/00/26/70/395002670.db2.gz USDHVFJKAZEVEW-KYEXWDHISA-N 2 2 266.429 2.405 10 0 CEAELP CC(C)[NH2+]CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000575029113 395644205 /nfs/dbraw/zinc/64/42/05/395644205.db2.gz LFXAVQXRINNXMS-UHFFFAOYSA-N 2 2 261.291 2.322 10 0 CEAELP Fc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188401931 153055374 /nfs/dbraw/zinc/05/53/74/153055374.db2.gz DHZDPNVOTOPDSZ-ZDUSSCGKSA-N 2 2 260.316 2.082 10 0 CEAELP Fc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000188401931 153055378 /nfs/dbraw/zinc/05/53/78/153055378.db2.gz DHZDPNVOTOPDSZ-ZDUSSCGKSA-N 2 2 260.316 2.082 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000189218250 153086719 /nfs/dbraw/zinc/08/67/19/153086719.db2.gz XUONCZIQADDXBY-GFCCVEGCSA-N 2 2 287.354 2.364 10 0 CEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000189218250 153086722 /nfs/dbraw/zinc/08/67/22/153086722.db2.gz XUONCZIQADDXBY-GFCCVEGCSA-N 2 2 287.354 2.364 10 0 CEAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@H+](C)CC(C)C)c1 ZINC000020226462 171090846 /nfs/dbraw/zinc/09/08/46/171090846.db2.gz GAPVKNHVFMGMDX-CQSZACIVSA-N 2 2 266.385 2.291 10 0 CEAELP COc1ccc(OC)c([C@@H](C[NH3+])[N@@H+](C)CC(C)C)c1 ZINC000020226462 171090848 /nfs/dbraw/zinc/09/08/48/171090848.db2.gz GAPVKNHVFMGMDX-CQSZACIVSA-N 2 2 266.385 2.291 10 0 CEAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226491 171090947 /nfs/dbraw/zinc/09/09/47/171090947.db2.gz COKXRPOADXVXOD-CYBMUJFWSA-N 2 2 252.358 2.045 10 0 CEAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1OC ZINC000020226491 171090949 /nfs/dbraw/zinc/09/09/49/171090949.db2.gz COKXRPOADXVXOD-CYBMUJFWSA-N 2 2 252.358 2.045 10 0 CEAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000037265912 173074540 /nfs/dbraw/zinc/07/45/40/173074540.db2.gz UGKCVNBENYGZTO-LBPRGKRZSA-N 2 2 254.399 2.167 10 0 CEAELP [NH3+]C[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000039174835 174164936 /nfs/dbraw/zinc/16/49/36/174164936.db2.gz HTLDBHWSJKUGOK-CYBMUJFWSA-N 2 2 262.353 2.291 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc2ccccc2o1 ZINC000040638911 174363024 /nfs/dbraw/zinc/36/30/24/174363024.db2.gz VXNUHYZTOMLKGV-UHFFFAOYSA-N 2 2 255.321 2.499 10 0 CEAELP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2C)cc1OC ZINC000040638842 174363073 /nfs/dbraw/zinc/36/30/73/174363073.db2.gz QDAKBVDMOFYJHG-LBPRGKRZSA-N 2 2 289.379 2.331 10 0 CEAELP CSc1ccc(C[NH2+]CCc2[nH+]ccn2C)cc1 ZINC000040638921 174363126 /nfs/dbraw/zinc/36/31/26/174363126.db2.gz ZMNOXSAIVUIKPW-UHFFFAOYSA-N 2 2 261.394 2.474 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000040671325 174369381 /nfs/dbraw/zinc/36/93/81/174369381.db2.gz WKOVEQUDVDDMAM-NXHRZFHOSA-N 2 2 288.435 2.461 10 0 CEAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCO1 ZINC000040671325 174369382 /nfs/dbraw/zinc/36/93/82/174369382.db2.gz WKOVEQUDVDDMAM-NXHRZFHOSA-N 2 2 288.435 2.461 10 0 CEAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717127 174384238 /nfs/dbraw/zinc/38/42/38/174384238.db2.gz OMIRXWRNEZQJKC-JSGCOSHPSA-N 2 2 276.380 2.190 10 0 CEAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCCCO3)C1 ZINC000040717127 174384239 /nfs/dbraw/zinc/38/42/39/174384239.db2.gz OMIRXWRNEZQJKC-JSGCOSHPSA-N 2 2 276.380 2.190 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(-c2ccco2)on1 ZINC000040749980 174395066 /nfs/dbraw/zinc/39/50/66/174395066.db2.gz VRAMIYCFTVLLKS-VGPLMAKISA-N 2 2 273.336 2.389 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccco2)on1 ZINC000040749980 174395067 /nfs/dbraw/zinc/39/50/67/174395067.db2.gz VRAMIYCFTVLLKS-VGPLMAKISA-N 2 2 273.336 2.389 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccccc2)o1 ZINC000040750143 174395379 /nfs/dbraw/zinc/39/53/79/174395379.db2.gz SWGAPUOWNGYESX-AGUYFDCRSA-N 2 2 284.363 2.191 10 0 CEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC000040750143 174395380 /nfs/dbraw/zinc/39/53/80/174395380.db2.gz SWGAPUOWNGYESX-AGUYFDCRSA-N 2 2 284.363 2.191 10 0 CEAELP COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000401793437 414754121 /nfs/dbraw/zinc/75/41/21/414754121.db2.gz DDEKQYJBSPNSRD-DYEKYZERSA-N 2 2 278.396 2.352 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CO ZINC000042914960 174913998 /nfs/dbraw/zinc/91/39/98/174913998.db2.gz PTLVLIWKPUPPAF-QLFBSQMISA-N 2 2 266.360 2.061 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]1CO ZINC000042914960 174913999 /nfs/dbraw/zinc/91/39/99/174913999.db2.gz PTLVLIWKPUPPAF-QLFBSQMISA-N 2 2 266.360 2.061 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000043345775 175017137 /nfs/dbraw/zinc/01/71/37/175017137.db2.gz GXKDWSCGFBHDDM-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1cccnc1)[N@H+]1CCCC[C@@H]1CCO ZINC000043345775 175017138 /nfs/dbraw/zinc/01/71/38/175017138.db2.gz GXKDWSCGFBHDDM-PMPSAXMXSA-N 2 2 277.412 2.097 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811483 175111208 /nfs/dbraw/zinc/11/12/08/175111208.db2.gz GCAVOAQLPVBVFK-LXTVHRRPSA-N 2 2 254.418 2.406 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@H]1[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043811483 175111210 /nfs/dbraw/zinc/11/12/10/175111210.db2.gz GCAVOAQLPVBVFK-LXTVHRRPSA-N 2 2 254.418 2.406 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@H+](C)CCOC ZINC000043915176 175124097 /nfs/dbraw/zinc/12/40/97/175124097.db2.gz BVURQTZWDDYPRS-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1[N@@H+](C)CCOC ZINC000043915176 175124098 /nfs/dbraw/zinc/12/40/98/175124098.db2.gz BVURQTZWDDYPRS-HZPDHXFCSA-N 2 2 262.397 2.230 10 0 CEAELP CCC[C@@H]([NH2+]CC)[C@H](CC)[NH+](CCOC)CCOC ZINC000043912811 175124129 /nfs/dbraw/zinc/12/41/29/175124129.db2.gz CVWGILHPWJUACZ-CABCVRRESA-N 2 2 274.449 2.138 10 0 CEAELP CC[NH2+][C@H]1CCCCCC[C@H]1[NH+](CCOC)CCOC ZINC000043912751 175124406 /nfs/dbraw/zinc/12/44/06/175124406.db2.gz LEMGIJRXHLYMLQ-JKSUJKDBSA-N 2 2 286.460 2.282 10 0 CEAELP Cc1ccc([C@H](O)C[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121170 175142941 /nfs/dbraw/zinc/14/29/41/175142941.db2.gz YNBFWYLPIUHJIR-QGZVFWFLSA-N 2 2 276.424 2.363 10 0 CEAELP Cc1ccc([C@H](O)C[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000044121170 175142942 /nfs/dbraw/zinc/14/29/42/175142942.db2.gz YNBFWYLPIUHJIR-QGZVFWFLSA-N 2 2 276.424 2.363 10 0 CEAELP [NH3+][C@H]1CCCc2cc(OCCn3cc[nH+]c3)ccc21 ZINC000044732429 175241034 /nfs/dbraw/zinc/24/10/34/175241034.db2.gz YGGVZHDNHJWQGB-HNNXBMFYSA-N 2 2 257.337 2.298 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@H+](Cc1cccs1)C1CC1 ZINC000045043547 175295606 /nfs/dbraw/zinc/29/56/06/175295606.db2.gz ZLKAPMPASBDGFT-CQSZACIVSA-N 2 2 268.426 2.466 10 0 CEAELP COCC[C@](C)(C[NH3+])[N@@H+](Cc1cccs1)C1CC1 ZINC000045043547 175295607 /nfs/dbraw/zinc/29/56/07/175295607.db2.gz ZLKAPMPASBDGFT-CQSZACIVSA-N 2 2 268.426 2.466 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071117 175301160 /nfs/dbraw/zinc/30/11/60/175301160.db2.gz OXLJKONMPXBAKG-CABCVRRESA-N 2 2 254.418 2.395 10 0 CEAELP COCC[C@@](C)(C[NH3+])[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000045071117 175301161 /nfs/dbraw/zinc/30/11/61/175301161.db2.gz OXLJKONMPXBAKG-CABCVRRESA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)[C@@](C)(CCCC[NH+]1CCCC1)[NH2+]C1CC1 ZINC000045375310 175366335 /nfs/dbraw/zinc/36/63/35/175366335.db2.gz WFLNEEUNAUFXHJ-MRXNPFEDSA-N 2 2 282.428 2.326 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC000045420323 175378575 /nfs/dbraw/zinc/37/85/75/175378575.db2.gz ZFQDQUZHKLBDDF-HIFRSBDPSA-N 2 2 270.417 2.038 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+]1CC[C@@H](C)C1)[NH2+]C(C)C ZINC000045420323 175378577 /nfs/dbraw/zinc/37/85/77/175378577.db2.gz ZFQDQUZHKLBDDF-HIFRSBDPSA-N 2 2 270.417 2.038 10 0 CEAELP CC[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070287857 175886451 /nfs/dbraw/zinc/88/64/51/175886451.db2.gz DBXUFCACKJSDFC-HOTGVXAUSA-N 2 2 278.396 2.194 10 0 CEAELP CC[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccc(OC(C)C)cc1 ZINC000070287857 175886453 /nfs/dbraw/zinc/88/64/53/175886453.db2.gz DBXUFCACKJSDFC-HOTGVXAUSA-N 2 2 278.396 2.194 10 0 CEAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000070455943 175940230 /nfs/dbraw/zinc/94/02/30/175940230.db2.gz XOYUIWQQNYEFRZ-ZDUSSCGKSA-N 2 2 286.354 2.383 10 0 CEAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000070812376 176006541 /nfs/dbraw/zinc/00/65/41/176006541.db2.gz KJVPCXMIEQRGLE-LBPRGKRZSA-N 2 2 290.754 2.216 10 0 CEAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1C[C@H]1OCCc2ccccc21 ZINC000071099250 176033103 /nfs/dbraw/zinc/03/31/03/176033103.db2.gz NZCCPYRFEIPDRD-GDBMZVCRSA-N 2 2 285.391 2.477 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191434 176069400 /nfs/dbraw/zinc/06/94/00/176069400.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)CCCC1 ZINC000071191434 176069402 /nfs/dbraw/zinc/06/94/02/176069402.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191434 176069403 /nfs/dbraw/zinc/06/94/03/176069403.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)CCCC1 ZINC000071191434 176069404 /nfs/dbraw/zinc/06/94/04/176069404.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 3 2 267.461 2.040 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071192036 176071268 /nfs/dbraw/zinc/07/12/68/176071268.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1C ZINC000071192036 176071269 /nfs/dbraw/zinc/07/12/69/176071269.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192036 176071270 /nfs/dbraw/zinc/07/12/70/176071270.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1oc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C ZINC000071192036 176071272 /nfs/dbraw/zinc/07/12/72/176071272.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)oc1C ZINC000071191947 176071337 /nfs/dbraw/zinc/07/13/37/176071337.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)oc1C ZINC000071191947 176071338 /nfs/dbraw/zinc/07/13/38/176071338.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191947 176071339 /nfs/dbraw/zinc/07/13/39/176071339.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP CCC[NH2+]Cc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC000071191947 176071340 /nfs/dbraw/zinc/07/13/40/176071340.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 3 2 293.455 2.471 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192077 176073502 /nfs/dbraw/zinc/07/35/02/176073502.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192077 176073503 /nfs/dbraw/zinc/07/35/03/176073503.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071192077 176073505 /nfs/dbraw/zinc/07/35/05/176073505.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP Cc1oc(C[NH2+]C2CC2)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192077 176073506 /nfs/dbraw/zinc/07/35/06/176073506.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 3 2 291.439 2.224 10 0 CEAELP C[NH2+][C@H]1CCC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000071198465 176077173 /nfs/dbraw/zinc/07/71/73/176077173.db2.gz IRXFWEOEKAHZOW-HNNXBMFYSA-N 2 2 261.413 2.197 10 0 CEAELP C[NH2+][C@H]1CCC[N@@H+](CCCN(C)c2ccccc2)C1 ZINC000071198465 176077174 /nfs/dbraw/zinc/07/71/74/176077174.db2.gz IRXFWEOEKAHZOW-HNNXBMFYSA-N 2 2 261.413 2.197 10 0 CEAELP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2nccn2C)C1 ZINC000071273171 176105096 /nfs/dbraw/zinc/10/50/96/176105096.db2.gz ZOEUKKRPKFRDGC-ZIAGYGMSSA-N 2 2 264.417 2.020 10 0 CEAELP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+]Cc2nccn2C)C1 ZINC000071273171 176105098 /nfs/dbraw/zinc/10/50/98/176105098.db2.gz ZOEUKKRPKFRDGC-ZIAGYGMSSA-N 2 2 264.417 2.020 10 0 CEAELP CC[N@H+](CCOc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071313920 176120597 /nfs/dbraw/zinc/12/05/97/176120597.db2.gz YMMMUBOFOYJGBC-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP CC[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071313920 176120598 /nfs/dbraw/zinc/12/05/98/176120598.db2.gz YMMMUBOFOYJGBC-CYBMUJFWSA-N 2 2 268.788 2.403 10 0 CEAELP CC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000071342594 176130260 /nfs/dbraw/zinc/13/02/60/176130260.db2.gz PQRCPGVGSHMIBB-HIFRSBDPSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000071342594 176130261 /nfs/dbraw/zinc/13/02/61/176130261.db2.gz PQRCPGVGSHMIBB-HIFRSBDPSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CCn1cc[nH+]c1C ZINC000071342594 176130262 /nfs/dbraw/zinc/13/02/62/176130262.db2.gz PQRCPGVGSHMIBB-HIFRSBDPSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356192 176136991 /nfs/dbraw/zinc/13/69/91/176136991.db2.gz QPSFUJFOUUCYLX-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CCOC)C2(CCCC2)C[NH2+]1 ZINC000071356192 176136992 /nfs/dbraw/zinc/13/69/92/176136992.db2.gz QPSFUJFOUUCYLX-ZIAGYGMSSA-N 2 2 254.418 2.266 10 0 CEAELP Cc1[nH+]cn(-c2nc3ccccc3cc2C(N)=[NH2+])c1C ZINC000071390286 176148483 /nfs/dbraw/zinc/14/84/83/176148483.db2.gz FZQLFEHGAQZPPN-UHFFFAOYSA-N 2 2 265.320 2.321 10 0 CEAELP C[C@@H]([NH3+])[C@H]1CCN(c2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000127334313 274241010 /nfs/dbraw/zinc/24/10/10/274241010.db2.gz SPTOQSWFABEDAH-BDAKNGLRSA-N 2 2 259.275 2.274 10 0 CEAELP Cc1cc(N[C@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000045955130 274719848 /nfs/dbraw/zinc/71/98/48/274719848.db2.gz QBIZZBUNDKQAPF-ZDUSSCGKSA-N 2 2 269.352 2.011 10 0 CEAELP CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000261785558 279017397 /nfs/dbraw/zinc/01/73/97/279017397.db2.gz PTRMKAMUKDXVLL-LBPRGKRZSA-N 2 2 266.389 2.319 10 0 CEAELP CC(C)C[C@@H]1CCCCC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000261785558 279017398 /nfs/dbraw/zinc/01/73/98/279017398.db2.gz PTRMKAMUKDXVLL-LBPRGKRZSA-N 2 2 266.389 2.319 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1C ZINC000154616633 280092954 /nfs/dbraw/zinc/09/29/54/280092954.db2.gz WMLPPNAYBXHVSK-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1C ZINC000154616633 280092955 /nfs/dbraw/zinc/09/29/55/280092955.db2.gz WMLPPNAYBXHVSK-RISCZKNCSA-N 2 2 264.417 2.265 10 0 CEAELP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000158771854 289240387 /nfs/dbraw/zinc/24/03/87/289240387.db2.gz UREVRSFVLQSCEG-JKSUJKDBSA-N 2 2 291.439 2.359 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@@H+]2CCOCC2(C)C)C1 ZINC000054555363 519803310 /nfs/dbraw/zinc/80/33/10/519803310.db2.gz FFBAIPJOJCSFQS-MGPQQGTHSA-N 2 2 254.418 2.249 10 0 CEAELP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H]([N@H+]2CCOCC2(C)C)C1 ZINC000054555363 519803311 /nfs/dbraw/zinc/80/33/11/519803311.db2.gz FFBAIPJOJCSFQS-MGPQQGTHSA-N 2 2 254.418 2.249 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@H+](C)[C@@H](C)COC)cs1 ZINC000052511216 519965238 /nfs/dbraw/zinc/96/52/38/519965238.db2.gz WLPYFTSGTUXEAP-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP CCC[NH2+]Cc1nc(C[N@@H+](C)[C@@H](C)COC)cs1 ZINC000052511216 519965241 /nfs/dbraw/zinc/96/52/41/519965241.db2.gz WLPYFTSGTUXEAP-NSHDSACASA-N 2 2 271.430 2.109 10 0 CEAELP CC(C)(C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000052377749 518766491 /nfs/dbraw/zinc/76/64/91/518766491.db2.gz IFJOHGYGLUEFOZ-UHFFFAOYSA-N 2 2 262.397 2.407 10 0 CEAELP CC(C)[C@@H](C[NH+](C)C)N[C@@H](c1ccco1)c1[nH+]ccn1C ZINC000049198430 519793927 /nfs/dbraw/zinc/79/39/27/519793927.db2.gz KOLSFXXTTVXLOA-HIFRSBDPSA-N 2 2 290.411 2.278 10 0 CEAELP CCCN1CC[NH+](Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052421870 519858639 /nfs/dbraw/zinc/85/86/39/519858639.db2.gz RCHIZQKNKHTAHZ-UHFFFAOYSA-N 2 2 287.407 2.419 10 0 CEAELP CCC[NH2+]CC(CC)(CC)C[NH+]1CCN(C)CC1 ZINC000051209157 519908858 /nfs/dbraw/zinc/90/88/58/519908858.db2.gz LAMFBTHMLRQFEC-UHFFFAOYSA-N 2 2 255.450 2.040 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000061267295 519962100 /nfs/dbraw/zinc/96/21/00/519962100.db2.gz BUXWBIPPWMRYNS-HNNXBMFYSA-N 2 2 291.439 2.265 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000061267295 519962108 /nfs/dbraw/zinc/96/21/08/519962108.db2.gz BUXWBIPPWMRYNS-HNNXBMFYSA-N 2 2 291.439 2.265 10 0 CEAELP CC[NH2+]C[C@H](C)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061231022 519968036 /nfs/dbraw/zinc/96/80/36/519968036.db2.gz AKPATLQJBSXGAD-LBPRGKRZSA-N 2 2 272.352 2.056 10 0 CEAELP CCC[NH2+][C@@](Cn1cc[nH+]c1C(C)C)(C(=O)OC)C1CC1 ZINC000069191676 520059250 /nfs/dbraw/zinc/05/92/50/520059250.db2.gz RMQZKSFRGGKECK-MRXNPFEDSA-N 2 2 293.411 2.328 10 0 CEAELP CC[NH2+][C@H](C)Cc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000061181786 520176513 /nfs/dbraw/zinc/17/65/13/520176513.db2.gz QQKSOQVAFSZULS-SNVBAGLBSA-N 2 2 275.352 2.265 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502637 521137689 /nfs/dbraw/zinc/13/76/89/521137689.db2.gz JCMFORAMAABNJF-OAHLLOKOSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502637 521137698 /nfs/dbraw/zinc/13/76/98/521137698.db2.gz JCMFORAMAABNJF-OAHLLOKOSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502639 521137450 /nfs/dbraw/zinc/13/74/50/521137450.db2.gz DTPNZXPAISIDMG-INIZCTEOSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502639 521137461 /nfs/dbraw/zinc/13/74/61/521137461.db2.gz DTPNZXPAISIDMG-INIZCTEOSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@H+](Cc1ccco1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590140 521401389 /nfs/dbraw/zinc/40/13/89/521401389.db2.gz TUGDAANFFRSNMX-CYBMUJFWSA-N 2 2 254.399 2.326 10 0 CEAELP CC[N@@H+](Cc1ccco1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590140 521401397 /nfs/dbraw/zinc/40/13/97/521401397.db2.gz TUGDAANFFRSNMX-CYBMUJFWSA-N 2 2 254.399 2.326 10 0 CEAELP CCC[N@H+](CC(=O)NC(C)(C)CC)[C@@](C)(CC)C[NH3+] ZINC000050091963 521542110 /nfs/dbraw/zinc/54/21/10/521542110.db2.gz JGCKSBHIALJFDX-HNNXBMFYSA-N 2 2 271.449 2.131 10 0 CEAELP CCC[N@@H+](CC(=O)NC(C)(C)CC)[C@@](C)(CC)C[NH3+] ZINC000050091963 521542116 /nfs/dbraw/zinc/54/21/16/521542116.db2.gz JGCKSBHIALJFDX-HNNXBMFYSA-N 2 2 271.449 2.131 10 0 CEAELP CC[NH+]1CCC([N@H+](C)[C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544079 521567298 /nfs/dbraw/zinc/56/72/98/521567298.db2.gz QMUGCELUQDKTJY-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544079 521567305 /nfs/dbraw/zinc/56/73/05/521567305.db2.gz QMUGCELUQDKTJY-AWEZNQCLSA-N 3 2 255.450 2.179 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624771 521657289 /nfs/dbraw/zinc/65/72/89/521657289.db2.gz XHCSIEDBAGRGAA-MRXNPFEDSA-N 2 2 276.424 2.447 10 0 CEAELP COCC[C@@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052810801 521832482 /nfs/dbraw/zinc/83/24/82/521832482.db2.gz XPQRCWQZPRKWDA-CYBMUJFWSA-N 2 2 256.777 2.136 10 0 CEAELP COCC[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052810801 521832486 /nfs/dbraw/zinc/83/24/86/521832486.db2.gz XPQRCWQZPRKWDA-CYBMUJFWSA-N 2 2 256.777 2.136 10 0 CEAELP C[NH2+]Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)o1 ZINC000052484203 522117676 /nfs/dbraw/zinc/11/76/76/522117676.db2.gz SLHFULHQTIXWOM-UHFFFAOYSA-N 3 2 291.439 2.449 10 0 CEAELP COC[C@H](C)[N@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511221 522595902 /nfs/dbraw/zinc/59/59/02/522595902.db2.gz MXFVVNRDNUBPMT-NSHDSACASA-N 2 2 271.430 2.108 10 0 CEAELP COC[C@H](C)[N@@H+](C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052511221 522595908 /nfs/dbraw/zinc/59/59/08/522595908.db2.gz MXFVVNRDNUBPMT-NSHDSACASA-N 2 2 271.430 2.108 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757391 522647157 /nfs/dbraw/zinc/64/71/57/522647157.db2.gz MBXZQGKVWSSZCA-MGPQQGTHSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000052757391 522647164 /nfs/dbraw/zinc/64/71/64/522647164.db2.gz MBXZQGKVWSSZCA-MGPQQGTHSA-N 2 2 256.434 2.375 10 0 CEAELP CC[C@@H]([NH3+])[C@H](N(C)Cc1[nH+]ccn1C)C(C)(C)C ZINC000062247555 522651201 /nfs/dbraw/zinc/65/12/01/522651201.db2.gz GDTVRWMRPKESSS-YPMHNXCESA-N 2 2 252.406 2.004 10 0 CEAELP C[N@H+](Cc1ccncc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883323 523462030 /nfs/dbraw/zinc/46/20/30/523462030.db2.gz RVUVAUBXXZLBRW-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+](Cc1ccncc1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883323 523462036 /nfs/dbraw/zinc/46/20/36/523462036.db2.gz RVUVAUBXXZLBRW-INIZCTEOSA-N 2 2 255.365 2.388 10 0 CEAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCCCn1cc[nH+]c1 ZINC000052206217 523793958 /nfs/dbraw/zinc/79/39/58/523793958.db2.gz BDNWFNDCFCLSMX-OAHLLOKOSA-N 3 2 264.417 2.127 10 0 CEAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCCCn1cc[nH+]c1 ZINC000052206217 523793963 /nfs/dbraw/zinc/79/39/63/523793963.db2.gz BDNWFNDCFCLSMX-OAHLLOKOSA-N 3 2 264.417 2.127 10 0 CEAELP COc1ccc(C[NH2+][C@H](C[NH+](C)C)C(C)C)cc1 ZINC000049195070 524090171 /nfs/dbraw/zinc/09/01/71/524090171.db2.gz NMWQQNWQTOOSJN-OAHLLOKOSA-N 2 2 250.386 2.371 10 0 CEAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049500965 524333006 /nfs/dbraw/zinc/33/30/06/524333006.db2.gz RVGDGOPPASLZOA-ILXRZTDVSA-N 2 2 254.418 2.144 10 0 CEAELP Cc1cccc(CSCC[NH2+]CC[NH+](C)C)c1 ZINC000054966634 524461431 /nfs/dbraw/zinc/46/14/31/524461431.db2.gz OKHNPABAEFRPKE-UHFFFAOYSA-N 2 2 252.427 2.379 10 0 CEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccc(Cl)cc1 ZINC000049557733 524473976 /nfs/dbraw/zinc/47/39/76/524473976.db2.gz RLAXPUQNLWAJII-NSHDSACASA-N 2 2 283.803 2.208 10 0 CEAELP C[C@H](C[NH2+]C1CC1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374699 524479406 /nfs/dbraw/zinc/47/94/06/524479406.db2.gz MHSGPWNAQVRKQE-CQSZACIVSA-N 2 2 291.414 2.336 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000068630473 524653897 /nfs/dbraw/zinc/65/38/97/524653897.db2.gz WBPRTLFCSJSXGC-WQGACYEGSA-N 2 2 283.460 2.127 10 0 CEAELP C[C@H](C[C@](C)([NH2+]C1CC1)C(N)=O)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000068630473 524653904 /nfs/dbraw/zinc/65/39/04/524653904.db2.gz WBPRTLFCSJSXGC-WQGACYEGSA-N 2 2 283.460 2.127 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@@H]1CCCO ZINC000052757501 524743857 /nfs/dbraw/zinc/74/38/57/524743857.db2.gz VBGQYXQEKMSPIK-CKEIUWERSA-N 2 2 292.423 2.320 10 0 CEAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@@H]1CCCO ZINC000052757501 524743867 /nfs/dbraw/zinc/74/38/67/524743867.db2.gz VBGQYXQEKMSPIK-CKEIUWERSA-N 2 2 292.423 2.320 10 0 CEAELP C[C@@H](C[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062248943 524844153 /nfs/dbraw/zinc/84/41/53/524844153.db2.gz AHTKCMSIUBQAQH-HOCLYGCPSA-N 2 2 284.407 2.220 10 0 CEAELP C[C@@H](Cc1ccsc1)[NH2+][C@@H]1C[NH+]2CCC1CC2 ZINC000049155895 524941100 /nfs/dbraw/zinc/94/11/00/524941100.db2.gz RPRIWZNOTFCWTD-SMDDNHRTSA-N 2 2 250.411 2.363 10 0 CEAELP c1c(CN2CC[NH2+]C3(CCCC3)C2)[nH+]c2ccccn12 ZINC000068693288 526397312 /nfs/dbraw/zinc/39/73/12/526397312.db2.gz FULGAKDOMSLIGI-UHFFFAOYSA-N 2 2 270.380 2.052 10 0 CEAELP c1cc2cnccc2c(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000061124973 526449962 /nfs/dbraw/zinc/44/99/62/526449962.db2.gz YANWOPYKNPLIKN-UHFFFAOYSA-N 2 2 255.365 2.420 10 0 CEAELP Cc1[nH]c(CNC2CC[NH+](C(C)(C)C)CC2)c[nH+]1 ZINC000054822367 526887948 /nfs/dbraw/zinc/88/79/48/526887948.db2.gz BRSFXWGEGLWEAC-UHFFFAOYSA-N 2 2 250.390 2.071 10 0 CEAELP Cc1[nH]c(CN[C@H](C[NH+](C)C)c2ccccc2)c[nH+]1 ZINC000054798385 526894968 /nfs/dbraw/zinc/89/49/68/526894968.db2.gz SFADNNGFRPVGTC-OAHLLOKOSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1[nH]cc(CN[C@H](C[NH+](C)C)c2ccccc2)[nH+]1 ZINC000054798385 526894974 /nfs/dbraw/zinc/89/49/74/526894974.db2.gz SFADNNGFRPVGTC-OAHLLOKOSA-N 2 2 258.369 2.111 10 0 CEAELP Cc1[nH+]c2ccccc2n1Cc1ccnc(C[NH3+])c1 ZINC000068750858 527170985 /nfs/dbraw/zinc/17/09/85/527170985.db2.gz UDGLBDUSCYBXCC-UHFFFAOYSA-N 2 2 252.321 2.247 10 0 CEAELP [NH3+]CCc1[nH+]ccn1Cc1sccc1Br ZINC000052304275 527199292 /nfs/dbraw/zinc/19/92/92/527199292.db2.gz WRQDDKXMPLNQDT-UHFFFAOYSA-N 2 2 286.198 2.257 10 0 CEAELP [NH3+]C[C@@]1([N@@H+]2CCc3sccc3C2)CCCSC1 ZINC000061589859 527222403 /nfs/dbraw/zinc/22/24/03/527222403.db2.gz FBHNBQQWOBTQAQ-ZDUSSCGKSA-N 2 2 268.451 2.331 10 0 CEAELP [NH3+]C[C@@]1([N@H+]2CCc3sccc3C2)CCCSC1 ZINC000061589859 527222405 /nfs/dbraw/zinc/22/24/05/527222405.db2.gz FBHNBQQWOBTQAQ-ZDUSSCGKSA-N 2 2 268.451 2.331 10 0 CEAELP [NH3+][C@@H]1CCOC[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061819287 527364572 /nfs/dbraw/zinc/36/45/72/527364572.db2.gz WQZLCJDBKSXTAJ-ZIAGYGMSSA-N 2 2 252.402 2.149 10 0 CEAELP Nc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702181 527536237 /nfs/dbraw/zinc/53/62/37/527536237.db2.gz GKPBAABOMJNBEY-CQSZACIVSA-N 2 2 269.348 2.317 10 0 CEAELP Nc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000061702181 527536242 /nfs/dbraw/zinc/53/62/42/527536242.db2.gz GKPBAABOMJNBEY-CQSZACIVSA-N 2 2 269.348 2.317 10 0 CEAELP Cc1nn(C)c2sc([C@@H]3[NH2+][C@H](C)CC[C@@H]3[NH3+])cc12 ZINC000757215980 574513087 /nfs/dbraw/zinc/51/30/87/574513087.db2.gz ORLSVWDDLPEBGU-INNHCVQGSA-N 2 2 264.398 2.084 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1(O)CCCCC1 ZINC000178309892 627781325 /nfs/dbraw/zinc/78/13/25/627781325.db2.gz HNBMJAWIGIKRMU-HNNXBMFYSA-N 2 2 277.412 2.351 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1(O)CCCCC1 ZINC000178309892 627781333 /nfs/dbraw/zinc/78/13/33/627781333.db2.gz HNBMJAWIGIKRMU-HNNXBMFYSA-N 2 2 277.412 2.351 10 0 CEAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1sccc1Br ZINC000082613856 178126413 /nfs/dbraw/zinc/12/64/13/178126413.db2.gz VPKSVPJUUAPVIL-ZETCQYMHSA-N 2 2 272.171 2.476 10 0 CEAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020547 344558208 /nfs/dbraw/zinc/55/82/08/344558208.db2.gz NBMKBZCHEUOFEM-IONNQARKSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020547 344558210 /nfs/dbraw/zinc/55/82/10/344558210.db2.gz NBMKBZCHEUOFEM-IONNQARKSA-N 2 2 275.215 2.462 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889057 344718248 /nfs/dbraw/zinc/71/82/48/344718248.db2.gz WXBWTYZZQOVURU-GXTWGEPZSA-N 2 2 275.421 2.199 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1=[NH+]CCS1 ZINC000306889057 344718250 /nfs/dbraw/zinc/71/82/50/344718250.db2.gz WXBWTYZZQOVURU-GXTWGEPZSA-N 2 2 275.421 2.199 10 0 CEAELP Cc1[nH+]c2ccccc2n1CCCC[C@@](C)(O)C[NH3+] ZINC000085304612 179012125 /nfs/dbraw/zinc/01/21/25/179012125.db2.gz GXLMQHZRQJOHIP-OAHLLOKOSA-N 2 2 261.369 2.225 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@@H+]1[C@@H]1CCOC1 ZINC000085468202 179073394 /nfs/dbraw/zinc/07/33/94/179073394.db2.gz QCWPLWVBUIIFPU-KGLIPLIRSA-N 2 2 254.418 2.264 10 0 CEAELP CCC1(CC)C[NH2+][C@H](C(C)C)C[N@H+]1[C@@H]1CCOC1 ZINC000085468202 179073395 /nfs/dbraw/zinc/07/33/95/179073395.db2.gz QCWPLWVBUIIFPU-KGLIPLIRSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCCC2)C[N@@H+]1CCOCCOC ZINC000085503715 179084905 /nfs/dbraw/zinc/08/49/05/179084905.db2.gz MPVDWLPWNDIXNP-MRXNPFEDSA-N 2 2 298.471 2.426 10 0 CEAELP CC[C@]1(C)C[NH2+]C2(CCCCC2)C[N@H+]1CCOCCOC ZINC000085503715 179084906 /nfs/dbraw/zinc/08/49/06/179084906.db2.gz MPVDWLPWNDIXNP-MRXNPFEDSA-N 2 2 298.471 2.426 10 0 CEAELP CC[C@]1(C)C[NH2+][C@@](C)(C2CC2)CN1CCn1cc[nH+]c1C ZINC000085515080 179086248 /nfs/dbraw/zinc/08/62/48/179086248.db2.gz WOESXCBCIFENQW-IAGOWNOFSA-N 2 2 290.455 2.434 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)C[N@@H+]1CCn1cccn1 ZINC000085515065 179086377 /nfs/dbraw/zinc/08/63/77/179086377.db2.gz VPWSBOPGJWFZQH-HOTGVXAUSA-N 2 2 276.428 2.126 10 0 CEAELP CC[C@@]1(C)C[NH2+][C@](C)(C2CC2)C[N@H+]1CCn1cccn1 ZINC000085515065 179086378 /nfs/dbraw/zinc/08/63/78/179086378.db2.gz VPWSBOPGJWFZQH-HOTGVXAUSA-N 2 2 276.428 2.126 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085498111 179083229 /nfs/dbraw/zinc/08/32/29/179083229.db2.gz KZZVPDYRWYKPQH-LSDHHAIUSA-N 2 2 266.429 2.266 10 0 CEAELP CC(C)[C@H]1C[NH2+]C2(CCCC2)C[N@H+]1C[C@@H]1CCOC1 ZINC000085498111 179083230 /nfs/dbraw/zinc/08/32/30/179083230.db2.gz KZZVPDYRWYKPQH-LSDHHAIUSA-N 2 2 266.429 2.266 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085498736 179083467 /nfs/dbraw/zinc/08/34/67/179083467.db2.gz SLXZKACKPMYPGU-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@]1(C)C1CC1 ZINC000085498736 179083469 /nfs/dbraw/zinc/08/34/69/179083469.db2.gz SLXZKACKPMYPGU-OAHLLOKOSA-N 2 2 266.429 2.410 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085528848 179090252 /nfs/dbraw/zinc/09/02/52/179090252.db2.gz QPEFHLSQZMAKKA-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CCC1(CC)C[NH2+][C@@H](C2CC2)C[N@H+]1C[C@@H]1CCCO1 ZINC000085528848 179090255 /nfs/dbraw/zinc/09/02/55/179090255.db2.gz QPEFHLSQZMAKKA-LSDHHAIUSA-N 2 2 266.429 2.408 10 0 CEAELP CC(C)(C)[C@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613613 179103243 /nfs/dbraw/zinc/10/32/43/179103243.db2.gz WRWUQCSOMYCFPM-LLVKDONJSA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)(C)[C@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613613 179103244 /nfs/dbraw/zinc/10/32/44/179103244.db2.gz WRWUQCSOMYCFPM-LLVKDONJSA-N 2 2 282.350 2.275 10 0 CEAELP Cn1cc(C[N@@H+]2CCC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000085615832 179104380 /nfs/dbraw/zinc/10/43/80/179104380.db2.gz OGYVSVXRIUIECD-QGZVFWFLSA-N 2 2 284.407 2.131 10 0 CEAELP Cn1cc(C[N@H+]2CCC[NH2+][C@@](C)(c3ccccc3)C2)cn1 ZINC000085615832 179104382 /nfs/dbraw/zinc/10/43/82/179104382.db2.gz OGYVSVXRIUIECD-QGZVFWFLSA-N 2 2 284.407 2.131 10 0 CEAELP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000085623130 179105091 /nfs/dbraw/zinc/10/50/91/179105091.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 3 2 276.428 2.270 10 0 CEAELP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@H+]1CCCn1cc[nH+]c1 ZINC000085623130 179105093 /nfs/dbraw/zinc/10/50/93/179105093.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 3 2 276.428 2.270 10 0 CEAELP [NH3+][C@]1(C[NH+]2CCC3(CCCCC3)CC2)CCOC1 ZINC000085915014 179197964 /nfs/dbraw/zinc/19/79/64/179197964.db2.gz MNUGFSAUVKSSRD-HNNXBMFYSA-N 2 2 252.402 2.151 10 0 CEAELP CCC[NH2+][C@@H](CCO)C[NH+]1CCC(C)(CC)CC1 ZINC000085922914 179201607 /nfs/dbraw/zinc/20/16/07/179201607.db2.gz AQBPUNZVMFLYHG-AWEZNQCLSA-N 2 2 256.434 2.249 10 0 CEAELP Cc1[nH]c(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c[nH+]1 ZINC000065385669 362815283 /nfs/dbraw/zinc/81/52/83/362815283.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]c(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c[nH+]1 ZINC000065385669 362815284 /nfs/dbraw/zinc/81/52/84/362815284.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]cc(CN(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)[nH+]1 ZINC000065385669 362815285 /nfs/dbraw/zinc/81/52/85/362815285.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 2 2 284.407 2.207 10 0 CEAELP Cc1[nH]cc(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)[nH+]1 ZINC000065385669 362815287 /nfs/dbraw/zinc/81/52/87/362815287.db2.gz DGAFLTHJOFDPEM-KRWDZBQOSA-N 2 2 284.407 2.207 10 0 CEAELP CCC[C@@H](COC)[N@@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1CC ZINC000086267557 179261626 /nfs/dbraw/zinc/26/16/26/179261626.db2.gz SOCFRTZPPOYFMB-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[C@@H](COC)[N@H+]1C[C@H](C2CC2)[NH2+]C[C@@H]1CC ZINC000086267557 179261627 /nfs/dbraw/zinc/26/16/27/179261627.db2.gz SOCFRTZPPOYFMB-SOUVJXGZSA-N 2 2 254.418 2.264 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291434 179265617 /nfs/dbraw/zinc/26/56/17/179265617.db2.gz QSLSKMQMGJRCST-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP CC[C@@H](C)[C@@H]1C[N@@H+](CC2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000086291434 179265620 /nfs/dbraw/zinc/26/56/20/179265620.db2.gz QSLSKMQMGJRCST-ZBFHGGJFSA-N 3 2 267.461 2.038 10 0 CEAELP COc1ccc(C[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)c(OC)c1 ZINC000086297690 179267793 /nfs/dbraw/zinc/26/77/93/179267793.db2.gz OXVWYAICZXJTJI-MRXNPFEDSA-N 2 2 290.407 2.278 10 0 CEAELP COc1ccc(C[N@H+]2CCC[NH2+][C@@H](C3CC3)C2)c(OC)c1 ZINC000086297690 179267794 /nfs/dbraw/zinc/26/77/94/179267794.db2.gz OXVWYAICZXJTJI-MRXNPFEDSA-N 2 2 290.407 2.278 10 0 CEAELP [NH3+]C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333405 179273802 /nfs/dbraw/zinc/27/38/02/179273802.db2.gz UZFXKVKLAPBXAK-NXEZZACHSA-N 2 2 260.790 2.170 10 0 CEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594966 179310705 /nfs/dbraw/zinc/31/07/05/179310705.db2.gz RGRCYRRCRMAJCU-ZDUSSCGKSA-N 2 2 286.803 2.317 10 0 CEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(OC)c(Cl)c1 ZINC000086594966 179310708 /nfs/dbraw/zinc/31/07/08/179310708.db2.gz RGRCYRRCRMAJCU-ZDUSSCGKSA-N 2 2 286.803 2.317 10 0 CEAELP C[C@@H]1CCC[C@@]1(C[NH3+])[N@@H+]1CCOc2ccccc2C1 ZINC000086677257 179319268 /nfs/dbraw/zinc/31/92/68/179319268.db2.gz QFFQRUVLQIRTLU-CJNGLKHVSA-N 2 2 260.381 2.399 10 0 CEAELP C[C@@H]1CCC[C@@]1(C[NH3+])[N@H+]1CCOc2ccccc2C1 ZINC000086677257 179319272 /nfs/dbraw/zinc/31/92/72/179319272.db2.gz QFFQRUVLQIRTLU-CJNGLKHVSA-N 2 2 260.381 2.399 10 0 CEAELP Cc1ncsc1C[N@@H+](C)[C@]1(C[NH3+])CCC[C@@H]1C ZINC000086677322 179319440 /nfs/dbraw/zinc/31/94/40/179319440.db2.gz KMWBBPKOSQYWMY-GWCFXTLKSA-N 2 2 253.415 2.401 10 0 CEAELP Cc1ncsc1C[N@H+](C)[C@]1(C[NH3+])CCC[C@@H]1C ZINC000086677322 179319442 /nfs/dbraw/zinc/31/94/42/179319442.db2.gz KMWBBPKOSQYWMY-GWCFXTLKSA-N 2 2 253.415 2.401 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])(OCCCn2cc[nH+]c2)C1 ZINC000086713015 179322805 /nfs/dbraw/zinc/32/28/05/179322805.db2.gz CONJNJPIQOJOQM-ZIAGYGMSSA-N 2 2 251.374 2.197 10 0 CEAELP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000086818323 179347572 /nfs/dbraw/zinc/34/75/72/179347572.db2.gz RTMNQPFZSYLFGS-ZNMIVQPWSA-N 3 2 262.401 2.051 10 0 CEAELP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2cc[nH+]c2)CC1 ZINC000086818323 179347574 /nfs/dbraw/zinc/34/75/74/179347574.db2.gz RTMNQPFZSYLFGS-ZNMIVQPWSA-N 3 2 262.401 2.051 10 0 CEAELP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818895 179348012 /nfs/dbraw/zinc/34/80/12/179348012.db2.gz QWUZSVHLUHJDDH-OAHLLOKOSA-N 2 2 277.412 2.443 10 0 CEAELP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086818895 179348013 /nfs/dbraw/zinc/34/80/13/179348013.db2.gz QWUZSVHLUHJDDH-OAHLLOKOSA-N 2 2 277.412 2.443 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836671 179351404 /nfs/dbraw/zinc/35/14/04/179351404.db2.gz XABTUBLZJFHFFU-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836671 179351407 /nfs/dbraw/zinc/35/14/07/179351407.db2.gz XABTUBLZJFHFFU-CABCVRRESA-N 3 2 255.450 2.037 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836672 179351694 /nfs/dbraw/zinc/35/16/94/179351694.db2.gz FATGXWIQBZKBDJ-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836672 179351696 /nfs/dbraw/zinc/35/16/96/179351696.db2.gz FATGXWIQBZKBDJ-HOTGVXAUSA-N 3 2 269.477 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851709 179359596 /nfs/dbraw/zinc/35/95/96/179359596.db2.gz XWOUFQODTWJUKQ-AWEZNQCLSA-N 2 2 283.441 2.080 10 0 CEAELP CC[N@H+]1CCC[C@@]([NH2+]CCOC)(c2nccs2)CC1 ZINC000086851709 179359598 /nfs/dbraw/zinc/35/95/98/179359598.db2.gz XWOUFQODTWJUKQ-AWEZNQCLSA-N 2 2 283.441 2.080 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C2CCOCC2)CC1 ZINC000086890727 179365924 /nfs/dbraw/zinc/36/59/24/179365924.db2.gz YGKWXFAMCOSQAT-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+](C)C2CCOCC2)CC1 ZINC000086890727 179365925 /nfs/dbraw/zinc/36/59/25/179365925.db2.gz YGKWXFAMCOSQAT-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)CC1 ZINC000086890725 179366117 /nfs/dbraw/zinc/36/61/17/179366117.db2.gz VXFAWBSEPOKRMW-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP C[C@H]1CCC[C@](C[NH3+])([N@H+]2CCOC(C)(C)C2)CC1 ZINC000086890725 179366118 /nfs/dbraw/zinc/36/61/18/179366118.db2.gz VXFAWBSEPOKRMW-ZFWWWQNUSA-N 2 2 254.418 2.395 10 0 CEAELP Cc1[nH]c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2[nH+]1 ZINC000089453830 539716678 /nfs/dbraw/zinc/71/66/78/539716678.db2.gz HBSCYGNIFKCGPP-ZYHUDNBSSA-N 2 2 272.352 2.185 10 0 CEAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000089451775 539717211 /nfs/dbraw/zinc/71/72/11/539717211.db2.gz MQCRNMOCXQJLCA-WFASDCNBSA-N 2 2 284.363 2.186 10 0 CEAELP Cc1cccn2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@H]4C3(C)C)nc12 ZINC000090338034 179966183 /nfs/dbraw/zinc/96/61/83/179966183.db2.gz RNKHGWBTQACIBV-HIFRSBDPSA-N 2 2 284.407 2.073 10 0 CEAELP Cc1cccn2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@H]4C3(C)C)nc12 ZINC000090338034 179966185 /nfs/dbraw/zinc/96/61/85/179966185.db2.gz RNKHGWBTQACIBV-HIFRSBDPSA-N 2 2 284.407 2.073 10 0 CEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000068803387 362948678 /nfs/dbraw/zinc/94/86/78/362948678.db2.gz STCRJGOXOYDJLK-OAGGEKHMSA-N 2 2 281.488 2.427 10 0 CEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000068803387 362948683 /nfs/dbraw/zinc/94/86/83/362948683.db2.gz STCRJGOXOYDJLK-OAGGEKHMSA-N 2 2 281.488 2.427 10 0 CEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892004 180053838 /nfs/dbraw/zinc/05/38/38/180053838.db2.gz OTRZZIZHDBJRMX-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892004 180053841 /nfs/dbraw/zinc/05/38/41/180053841.db2.gz OTRZZIZHDBJRMX-GJZGRUSLSA-N 2 2 278.371 2.203 10 0 CEAELP C[C@H]([NH3+])Cc1ccn(Cc2cn3ccccc3[nH+]2)c1 ZINC000091005891 180084502 /nfs/dbraw/zinc/08/45/02/180084502.db2.gz KCZKVORHAKIYKO-LBPRGKRZSA-N 2 2 254.337 2.074 10 0 CEAELP Cn1c[nH+]cc1COc1ccc(C[NH3+])cc1Br ZINC000091278418 180121159 /nfs/dbraw/zinc/12/11/59/180121159.db2.gz KUJJFENOXDOSLY-UHFFFAOYSA-N 2 2 296.168 2.220 10 0 CEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](C)CC1CC(O)C1 ZINC000091451473 180158779 /nfs/dbraw/zinc/15/87/79/180158779.db2.gz UBMNEJBWVUTZQB-WLIAPVHPSA-N 2 2 262.397 2.086 10 0 CEAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](C)CC1CC(O)C1 ZINC000091451473 180158780 /nfs/dbraw/zinc/15/87/80/180158780.db2.gz UBMNEJBWVUTZQB-WLIAPVHPSA-N 2 2 262.397 2.086 10 0 CEAELP C[NH2+][C@H](Cc1ncnn1C(C)C)C(C)(C)[NH+]1CCCCC1 ZINC000091565013 180193559 /nfs/dbraw/zinc/19/35/59/180193559.db2.gz KIIWVYVDCDQWBI-CQSZACIVSA-N 2 2 293.459 2.254 10 0 CEAELP CCC[NH2+][C@@H](Cc1c[nH+]ccc1N)[C@](C)(CC)[NH+](C)C ZINC000091571798 180196240 /nfs/dbraw/zinc/19/62/40/180196240.db2.gz HXEBXYUBJYJXQB-HOTGVXAUSA-N 3 2 278.444 2.305 10 0 CEAELP CC[C@@](C)([C@@H]([NH3+])C1CCOCC1)[NH+]1CCCCC1 ZINC000091608955 180205917 /nfs/dbraw/zinc/20/59/17/180205917.db2.gz BPRZZOZNOAWIOL-GJZGRUSLSA-N 2 2 254.418 2.395 10 0 CEAELP CC[NH2+][C@@H](Cc1ncnn1C(C)C)C(C)(C)[NH+]1CCCC1 ZINC000091535967 180182019 /nfs/dbraw/zinc/18/20/19/180182019.db2.gz FRTNERSWAVTVDH-AWEZNQCLSA-N 2 2 293.459 2.254 10 0 CEAELP C[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721193 180239205 /nfs/dbraw/zinc/23/92/05/180239205.db2.gz SWSXVHLDMKGAAJ-QLFBSQMISA-N 2 2 280.799 2.464 10 0 CEAELP C[NH2+][C@H](c1cccc(Cl)c1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721193 180239208 /nfs/dbraw/zinc/23/92/08/180239208.db2.gz SWSXVHLDMKGAAJ-QLFBSQMISA-N 2 2 280.799 2.464 10 0 CEAELP C[C@@H]1CCC[C@](C(=O)c2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650579 180216684 /nfs/dbraw/zinc/21/66/84/180216684.db2.gz XIAMZCLSZUMHKK-ABAIWWIYSA-N 2 2 261.369 2.357 10 0 CEAELP CC(C)c1ccc(C[C@H]([NH3+])[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000091717305 180231954 /nfs/dbraw/zinc/23/19/54/180231954.db2.gz ZWVGJPNXGFSPPR-HOTGVXAUSA-N 2 2 262.397 2.010 10 0 CEAELP CC(C)c1ccc(C[C@H]([NH3+])[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000091717305 180231956 /nfs/dbraw/zinc/23/19/56/180231956.db2.gz ZWVGJPNXGFSPPR-HOTGVXAUSA-N 2 2 262.397 2.010 10 0 CEAELP CC[NH+](CC)CC[C@H]([NH2+]C)c1cc(Cl)cnc1N ZINC000091716034 180231962 /nfs/dbraw/zinc/23/19/62/180231962.db2.gz YXBAWWJKZFDBFL-LBPRGKRZSA-N 2 2 270.808 2.310 10 0 CEAELP CCCn1cc([C@H](CC[NH+](CC)CC)[NH2+]C)cn1 ZINC000091716261 180232793 /nfs/dbraw/zinc/23/27/93/180232793.db2.gz FUQDWUOIAZTLIG-AWEZNQCLSA-N 2 2 252.406 2.286 10 0 CEAELP CC[NH2+][C@H](Cc1cc(Cl)ccc1OC)C[NH+](C)C ZINC000091719735 180234553 /nfs/dbraw/zinc/23/45/53/180234553.db2.gz GLRMKRCWSGQPTL-CYBMUJFWSA-N 2 2 270.804 2.431 10 0 CEAELP Cc1[nH+]cc(C[NH2+]C(C)(C)CO)n1-c1ccccc1 ZINC000092128748 180329415 /nfs/dbraw/zinc/32/94/15/180329415.db2.gz BOYUNKPFBCQGCL-UHFFFAOYSA-N 2 2 259.353 2.041 10 0 CEAELP C[NH2+][C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267712 180355615 /nfs/dbraw/zinc/35/56/15/180355615.db2.gz UAPKYUJKYQIUBP-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267712 180355618 /nfs/dbraw/zinc/35/56/18/180355618.db2.gz UAPKYUJKYQIUBP-KGLIPLIRSA-N 2 2 262.422 2.387 10 0 CEAELP [NH3+]CCc1[nH+]ccn1C[C@@H]1Cc2ccccc2S1 ZINC000092270399 180356034 /nfs/dbraw/zinc/35/60/34/180356034.db2.gz GXBMCNQSYZVFOA-LBPRGKRZSA-N 2 2 259.378 2.101 10 0 CEAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000092300135 180358822 /nfs/dbraw/zinc/35/88/22/180358822.db2.gz BMWACHBOSAGTOI-HIFRSBDPSA-N 2 2 262.397 2.338 10 0 CEAELP C[NH2+]Cc1c[nH+]c(C)n1C[C@@H]1COc2ccccc21 ZINC000092306744 180360627 /nfs/dbraw/zinc/36/06/27/180360627.db2.gz BDQGWVVBQNCDIB-GFCCVEGCSA-N 2 2 257.337 2.087 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000105922509 186091083 /nfs/dbraw/zinc/09/10/83/186091083.db2.gz DKDAYOGUUGZRES-AWEZNQCLSA-N 2 2 265.401 2.245 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCCCO)C1 ZINC000105922509 186091084 /nfs/dbraw/zinc/09/10/84/186091084.db2.gz DKDAYOGUUGZRES-AWEZNQCLSA-N 2 2 265.401 2.245 10 0 CEAELP CCCNc1cc[nH+]c(C[NH+]2CCSCC2)c1 ZINC000092417886 180381355 /nfs/dbraw/zinc/38/13/55/180381355.db2.gz JNOBRCUSMGUFJR-UHFFFAOYSA-N 2 2 251.399 2.452 10 0 CEAELP CCNc1cc[nH+]c(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000092417993 180381592 /nfs/dbraw/zinc/38/15/92/180381592.db2.gz LNEWJVDZNJVZOY-HNNXBMFYSA-N 2 2 263.385 2.250 10 0 CEAELP CCNc1cc[nH+]c(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000092417993 180381593 /nfs/dbraw/zinc/38/15/93/180381593.db2.gz LNEWJVDZNJVZOY-HNNXBMFYSA-N 2 2 263.385 2.250 10 0 CEAELP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000130497810 365961543 /nfs/dbraw/zinc/96/15/43/365961543.db2.gz CKZGSJLSPDOCLG-OLZOCXBDSA-N 2 2 259.353 2.198 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154060 186360453 /nfs/dbraw/zinc/36/04/53/186360453.db2.gz CWNSYMLHTVKMGI-BFHYXJOUSA-N 2 2 256.434 2.497 10 0 CEAELP CC[C@@H]([NH3+])[C@@H]([N@@H+](C)C[C@@H]1CCCOC1)C(C)(C)C ZINC000111154060 186360456 /nfs/dbraw/zinc/36/04/56/186360456.db2.gz CWNSYMLHTVKMGI-BFHYXJOUSA-N 2 2 256.434 2.497 10 0 CEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154142 186360995 /nfs/dbraw/zinc/36/09/95/186360995.db2.gz HHXNWKHVQQCBIA-WFASDCNBSA-N 2 2 266.360 2.184 10 0 CEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000111154142 186360996 /nfs/dbraw/zinc/36/09/96/186360996.db2.gz HHXNWKHVQQCBIA-WFASDCNBSA-N 2 2 266.360 2.184 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@H+](C)CC1CCOCC1 ZINC000111155876 186361486 /nfs/dbraw/zinc/36/14/86/186361486.db2.gz FCOZQLWLSNATLR-UKRRQHHQSA-N 2 2 266.385 2.416 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccco1)[N@@H+](C)CC1CCOCC1 ZINC000111155876 186361487 /nfs/dbraw/zinc/36/14/87/186361487.db2.gz FCOZQLWLSNATLR-UKRRQHHQSA-N 2 2 266.385 2.416 10 0 CEAELP C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111160426 186361939 /nfs/dbraw/zinc/36/19/39/186361939.db2.gz WXXCOMHDHPEGHS-QLFBSQMISA-N 2 2 254.418 2.395 10 0 CEAELP C[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000111160426 186361941 /nfs/dbraw/zinc/36/19/41/186361941.db2.gz WXXCOMHDHPEGHS-QLFBSQMISA-N 2 2 254.418 2.395 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@H+](C)CC2CCOCC2)ccc1F ZINC000111159415 186363201 /nfs/dbraw/zinc/36/32/01/186363201.db2.gz VOZFFRFGZKVSDH-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP Cc1cc([C@H](C[NH3+])[N@@H+](C)CC2CCOCC2)ccc1F ZINC000111159415 186363203 /nfs/dbraw/zinc/36/32/03/186363203.db2.gz VOZFFRFGZKVSDH-INIZCTEOSA-N 2 2 280.387 2.492 10 0 CEAELP CC[NH2+]Cc1nc(C[N@H+](CC)CCOCC)cs1 ZINC000111124138 186354375 /nfs/dbraw/zinc/35/43/75/186354375.db2.gz KIPAACIMDGYROB-UHFFFAOYSA-N 2 2 271.430 2.111 10 0 CEAELP CC[NH2+]Cc1nc(C[N@@H+](CC)CCOCC)cs1 ZINC000111124138 186354377 /nfs/dbraw/zinc/35/43/77/186354377.db2.gz KIPAACIMDGYROB-UHFFFAOYSA-N 2 2 271.430 2.111 10 0 CEAELP CCOCC[N@H+](CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117741 186354604 /nfs/dbraw/zinc/35/46/04/186354604.db2.gz JLCUOSGEMJACPI-OAHLLOKOSA-N 2 2 280.412 2.362 10 0 CEAELP CCOCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(OC)c(C)c1 ZINC000111117741 186354606 /nfs/dbraw/zinc/35/46/06/186354606.db2.gz JLCUOSGEMJACPI-OAHLLOKOSA-N 2 2 280.412 2.362 10 0 CEAELP CCOCC[N@H+](CC)[C@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117967 186355537 /nfs/dbraw/zinc/35/55/37/186355537.db2.gz KBXVHXKEHHVCRV-KRWDZBQOSA-N 2 2 294.439 2.314 10 0 CEAELP CCOCC[N@@H+](CC)[C@](C)(C[NH3+])Cc1ccc(OC)cc1 ZINC000111117967 186355539 /nfs/dbraw/zinc/35/55/39/186355539.db2.gz KBXVHXKEHHVCRV-KRWDZBQOSA-N 2 2 294.439 2.314 10 0 CEAELP C[NH+](C)CCC[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000111143646 186359388 /nfs/dbraw/zinc/35/93/88/186359388.db2.gz XRRHFHMUDWHSHF-CQSZACIVSA-N 2 2 276.380 2.350 10 0 CEAELP C[NH+](C)CCC[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000111143646 186359389 /nfs/dbraw/zinc/35/93/89/186359389.db2.gz XRRHFHMUDWHSHF-CQSZACIVSA-N 2 2 276.380 2.350 10 0 CEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174732 186365692 /nfs/dbraw/zinc/36/56/92/186365692.db2.gz HOBTWRXMINIXDJ-LSDHHAIUSA-N 2 2 256.434 2.367 10 0 CEAELP CC(C)[NH2+]C[C@H](C(C)C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000111174732 186365694 /nfs/dbraw/zinc/36/56/94/186365694.db2.gz HOBTWRXMINIXDJ-LSDHHAIUSA-N 2 2 256.434 2.367 10 0 CEAELP CC[NH2+]C[C@]1(C[N@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325108 186398671 /nfs/dbraw/zinc/39/86/71/186398671.db2.gz BOPQOILSBCBTCE-INIZCTEOSA-N 2 2 280.412 2.426 10 0 CEAELP CC[NH2+]C[C@]1(C[N@@H+](C)Cc2ccc(C)o2)CCCOC1 ZINC000111325108 186398672 /nfs/dbraw/zinc/39/86/72/186398672.db2.gz BOPQOILSBCBTCE-INIZCTEOSA-N 2 2 280.412 2.426 10 0 CEAELP Cn1cc[nH+]c1CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000111703929 186448120 /nfs/dbraw/zinc/44/81/20/186448120.db2.gz HKZZNGIWZPVWNV-CYBMUJFWSA-N 2 2 264.417 2.163 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccncc3Br)C[C@H]12 ZINC000629520424 351386651 /nfs/dbraw/zinc/38/66/51/351386651.db2.gz VZQQSDBZQKEJTF-XHVZSJERSA-N 2 2 296.212 2.013 10 0 CEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccncc3Br)C[C@H]12 ZINC000629520424 351386654 /nfs/dbraw/zinc/38/66/54/351386654.db2.gz VZQQSDBZQKEJTF-XHVZSJERSA-N 2 2 296.212 2.013 10 0 CEAELP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H]3C[NH3+])c2O1 ZINC000131387976 366049612 /nfs/dbraw/zinc/04/96/12/366049612.db2.gz YLAIZFJRAIUBMW-AWEZNQCLSA-N 2 2 260.381 2.323 10 0 CEAELP CC1(C)Cc2cccc(C[N@H+]3CCC[C@H]3C[NH3+])c2O1 ZINC000131387976 366049620 /nfs/dbraw/zinc/04/96/20/366049620.db2.gz YLAIZFJRAIUBMW-AWEZNQCLSA-N 2 2 260.381 2.323 10 0 CEAELP COc1ccc(-c2nc(N3CCC[NH2+]CC3)cc(C)[nH+]2)cc1 ZINC000070451941 363084091 /nfs/dbraw/zinc/08/40/91/363084091.db2.gz UCMJEEDRLVUFIR-UHFFFAOYSA-N 2 2 298.390 2.260 10 0 CEAELP CO[C@H]1C[N@H+](Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368072 351714281 /nfs/dbraw/zinc/71/42/81/351714281.db2.gz QFAPNOAWXVWYBJ-CABCVRRESA-N 2 2 266.360 2.072 10 0 CEAELP CO[C@H]1C[N@@H+](Cc2cc(F)ccc2C)[C@](C)(C[NH3+])C1 ZINC000630368072 351714288 /nfs/dbraw/zinc/71/42/88/351714288.db2.gz QFAPNOAWXVWYBJ-CABCVRRESA-N 2 2 266.360 2.072 10 0 CEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000122076915 187014089 /nfs/dbraw/zinc/01/40/89/187014089.db2.gz OUSUWCFAHXBRHY-ZDUSSCGKSA-N 2 2 276.384 2.338 10 0 CEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc[nH+]cc1C ZINC000122076915 187014090 /nfs/dbraw/zinc/01/40/90/187014090.db2.gz OUSUWCFAHXBRHY-ZDUSSCGKSA-N 2 2 276.384 2.338 10 0 CEAELP CC[C@H]1C[NH+](CC23CCC(CC2)[NH2+]3)C[C@H](CC)O1 ZINC000675056055 540073559 /nfs/dbraw/zinc/07/35/59/540073559.db2.gz JFMCZPBVIVIPNH-GQKFXUNGSA-N 2 2 252.402 2.160 10 0 CEAELP C([NH2+]CC1CCCC1)[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000675070194 540112337 /nfs/dbraw/zinc/11/23/37/540112337.db2.gz NATUTVSNBLVYPW-HNNXBMFYSA-N 2 2 252.402 2.020 10 0 CEAELP C([NH2+]CC1CCCC1)[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000675070194 540112338 /nfs/dbraw/zinc/11/23/38/540112338.db2.gz NATUTVSNBLVYPW-HNNXBMFYSA-N 2 2 252.402 2.020 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CC1 ZINC000384793864 540218226 /nfs/dbraw/zinc/21/82/26/540218226.db2.gz XFMJMZKELUUNQF-OAGGEKHMSA-N 2 2 268.445 2.392 10 0 CEAELP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC000384793864 540218229 /nfs/dbraw/zinc/21/82/29/540218229.db2.gz XFMJMZKELUUNQF-OAGGEKHMSA-N 2 2 268.445 2.392 10 0 CEAELP CCCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178311892 189105609 /nfs/dbraw/zinc/10/56/09/189105609.db2.gz XBOHONVTTRIUFW-CYBMUJFWSA-N 2 2 289.383 2.192 10 0 CEAELP CCCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)no1 ZINC000178311892 189105610 /nfs/dbraw/zinc/10/56/10/189105610.db2.gz XBOHONVTTRIUFW-CYBMUJFWSA-N 2 2 289.383 2.192 10 0 CEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728620 364755473 /nfs/dbraw/zinc/75/54/73/364755473.db2.gz IIPLMZAAUUWBSA-CQSZACIVSA-N 2 2 255.365 2.419 10 0 CEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)C1 ZINC000111728620 364755477 /nfs/dbraw/zinc/75/54/77/364755477.db2.gz IIPLMZAAUUWBSA-CQSZACIVSA-N 2 2 255.365 2.419 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@H+](CCCC2CCCC2)CCO1 ZINC000120610888 365449384 /nfs/dbraw/zinc/44/93/84/365449384.db2.gz NAEACGXOIBTNDE-OAHLLOKOSA-N 2 2 254.418 2.219 10 0 CEAELP C[NH+](C)C[C@@H]1C[N@@H+](CCCC2CCCC2)CCO1 ZINC000120610888 365449386 /nfs/dbraw/zinc/44/93/86/365449386.db2.gz NAEACGXOIBTNDE-OAHLLOKOSA-N 2 2 254.418 2.219 10 0 CEAELP Cn1cccc1C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171644549 367584431 /nfs/dbraw/zinc/58/44/31/367584431.db2.gz ODNAQEXZUPSREI-AWEZNQCLSA-N 2 2 298.390 2.037 10 0 CEAELP Cn1cccc1C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171644549 367584434 /nfs/dbraw/zinc/58/44/34/367584434.db2.gz ODNAQEXZUPSREI-AWEZNQCLSA-N 2 2 298.390 2.037 10 0 CEAELP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000172014469 367659038 /nfs/dbraw/zinc/65/90/38/367659038.db2.gz DKEAUHDIQBECNA-CQSZACIVSA-N 2 2 272.396 2.337 10 0 CEAELP Cc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000172014469 367659040 /nfs/dbraw/zinc/65/90/40/367659040.db2.gz DKEAUHDIQBECNA-CQSZACIVSA-N 2 2 272.396 2.337 10 0 CEAELP CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434058 367742208 /nfs/dbraw/zinc/74/22/08/367742208.db2.gz ZWSOMUCAZAZOAG-KGLIPLIRSA-N 2 2 291.395 2.075 10 0 CEAELP CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172434058 367742210 /nfs/dbraw/zinc/74/22/10/367742210.db2.gz ZWSOMUCAZAZOAG-KGLIPLIRSA-N 2 2 291.395 2.075 10 0 CEAELP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000173698568 367935107 /nfs/dbraw/zinc/93/51/07/367935107.db2.gz BCYQBFLAUDXKEV-KGLIPLIRSA-N 2 2 293.411 2.424 10 0 CEAELP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000173698568 367935113 /nfs/dbraw/zinc/93/51/13/367935113.db2.gz BCYQBFLAUDXKEV-KGLIPLIRSA-N 2 2 293.411 2.424 10 0 CEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000190472642 369627743 /nfs/dbraw/zinc/62/77/43/369627743.db2.gz QRBWBUKUANOYOC-INIZCTEOSA-N 2 2 259.397 2.245 10 0 CEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC2)C1 ZINC000190472642 369627745 /nfs/dbraw/zinc/62/77/45/369627745.db2.gz QRBWBUKUANOYOC-INIZCTEOSA-N 2 2 259.397 2.245 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000190472642 369627746 /nfs/dbraw/zinc/62/77/46/369627746.db2.gz QRBWBUKUANOYOC-INIZCTEOSA-N 2 2 259.397 2.245 10 0 CEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000190472642 369627747 /nfs/dbraw/zinc/62/77/47/369627747.db2.gz QRBWBUKUANOYOC-INIZCTEOSA-N 2 2 259.397 2.245 10 0 CEAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]cc2C)nc[nH+]1 ZINC000191980590 369760176 /nfs/dbraw/zinc/76/01/76/369760176.db2.gz XKUGKLVKVVBHES-CYBMUJFWSA-N 2 2 298.394 2.303 10 0 CEAELP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]cc2C)[nH+]cn1 ZINC000191980590 369760181 /nfs/dbraw/zinc/76/01/81/369760181.db2.gz XKUGKLVKVVBHES-CYBMUJFWSA-N 2 2 298.394 2.303 10 0 CEAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000183162311 284189722 /nfs/dbraw/zinc/18/97/22/284189722.db2.gz LXOTVEZEZVELPZ-ILXRZTDVSA-N 2 2 291.395 2.079 10 0 CEAELP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000183162311 284189723 /nfs/dbraw/zinc/18/97/23/284189723.db2.gz LXOTVEZEZVELPZ-ILXRZTDVSA-N 2 2 291.395 2.079 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000226591206 370347528 /nfs/dbraw/zinc/34/75/28/370347528.db2.gz HHSQHDALPATEMF-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000226591206 370347532 /nfs/dbraw/zinc/34/75/32/370347532.db2.gz HHSQHDALPATEMF-QLFBSQMISA-N 2 2 254.418 2.264 10 0 CEAELP C[C@H]1C[N@H+](CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235704453 370574510 /nfs/dbraw/zinc/57/45/10/370574510.db2.gz DGXWAWFNRRUCSH-GUYCJALGSA-N 2 2 270.376 2.498 10 0 CEAELP C[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235704453 370574514 /nfs/dbraw/zinc/57/45/14/370574514.db2.gz DGXWAWFNRRUCSH-GUYCJALGSA-N 2 2 270.376 2.498 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)COC)C1 ZINC000247577445 371127583 /nfs/dbraw/zinc/12/75/83/371127583.db2.gz SKDQOXLNCCTISX-OLZOCXBDSA-N 2 2 251.374 2.117 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC000247577445 371127585 /nfs/dbraw/zinc/12/75/85/371127585.db2.gz SKDQOXLNCCTISX-OLZOCXBDSA-N 2 2 251.374 2.117 10 0 CEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799387 371416287 /nfs/dbraw/zinc/41/62/87/371416287.db2.gz NVUZAYKSGKAUQA-MAUKXSAKSA-N 3 2 287.451 2.320 10 0 CEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799387 371416291 /nfs/dbraw/zinc/41/62/91/371416291.db2.gz NVUZAYKSGKAUQA-MAUKXSAKSA-N 3 2 287.451 2.320 10 0 CEAELP CCCc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261568202 371652168 /nfs/dbraw/zinc/65/21/68/371652168.db2.gz IZWJGLDQUHKSEN-DRZSPHRISA-N 2 2 265.426 2.265 10 0 CEAELP CCCc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cs1 ZINC000261568202 371652173 /nfs/dbraw/zinc/65/21/73/371652173.db2.gz IZWJGLDQUHKSEN-DRZSPHRISA-N 2 2 265.426 2.265 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)no1 ZINC000261812306 371740637 /nfs/dbraw/zinc/74/06/37/371740637.db2.gz RPIOFGXIXDMXRN-GFCCVEGCSA-N 2 2 264.373 2.073 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H]2C2CCCCC2)no1 ZINC000261812306 371740640 /nfs/dbraw/zinc/74/06/40/371740640.db2.gz RPIOFGXIXDMXRN-GFCCVEGCSA-N 2 2 264.373 2.073 10 0 CEAELP C[C@@]1(c2ccccc2)CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261801882 371736254 /nfs/dbraw/zinc/73/62/54/371736254.db2.gz QVSWVWMRTZZLBY-MRXNPFEDSA-N 2 2 286.379 2.082 10 0 CEAELP C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261801882 371736261 /nfs/dbraw/zinc/73/62/61/371736261.db2.gz QVSWVWMRTZZLBY-MRXNPFEDSA-N 2 2 286.379 2.082 10 0 CEAELP CC(C)n1nccc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261979721 371788492 /nfs/dbraw/zinc/78/84/92/371788492.db2.gz RFGCWGJDKJWGIL-CYBMUJFWSA-N 2 2 250.390 2.038 10 0 CEAELP CC(C)n1nccc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000261979721 371788494 /nfs/dbraw/zinc/78/84/94/371788494.db2.gz RFGCWGJDKJWGIL-CYBMUJFWSA-N 2 2 250.390 2.038 10 0 CEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262005190 371797178 /nfs/dbraw/zinc/79/71/78/371797178.db2.gz UNHGUFLPYOPFPL-OAHLLOKOSA-N 3 2 289.423 2.233 10 0 CEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H]2CC2CCCCC2)no1 ZINC000262277334 371845590 /nfs/dbraw/zinc/84/55/90/371845590.db2.gz UAMPPJICYQQJBM-ZDUSSCGKSA-N 2 2 278.400 2.463 10 0 CEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H]2CC2CCCCC2)no1 ZINC000262277334 371845596 /nfs/dbraw/zinc/84/55/96/371845596.db2.gz UAMPPJICYQQJBM-ZDUSSCGKSA-N 2 2 278.400 2.463 10 0 CEAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156382 375298781 /nfs/dbraw/zinc/29/87/81/375298781.db2.gz KTWGBRVMTCVRAX-RYQLBKOJSA-N 2 2 287.451 2.333 10 0 CEAELP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000389156382 375298785 /nfs/dbraw/zinc/29/87/85/375298785.db2.gz KTWGBRVMTCVRAX-RYQLBKOJSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000389156382 375298789 /nfs/dbraw/zinc/29/87/89/375298789.db2.gz KTWGBRVMTCVRAX-RYQLBKOJSA-N 2 2 287.451 2.333 10 0 CEAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000389156382 375298794 /nfs/dbraw/zinc/29/87/94/375298794.db2.gz KTWGBRVMTCVRAX-RYQLBKOJSA-N 2 2 287.451 2.333 10 0 CEAELP Cc1cc2[nH+]cn([C@@H]3CCC[C@@]([NH3+])(CO)C3)c2cc1C ZINC000093784067 184721194 /nfs/dbraw/zinc/72/11/94/184721194.db2.gz XWWNZXJULJLLFD-CJNGLKHVSA-N 2 2 273.380 2.458 10 0 CEAELP C[C@H](C[NH2+]Cc1cc(F)c(O)c(F)c1)C[NH+]1CCCC1 ZINC000094265584 184771651 /nfs/dbraw/zinc/77/16/51/184771651.db2.gz ODHHVGZIGNSTSP-LLVKDONJSA-N 2 2 284.350 2.492 10 0 CEAELP C[NH+](C)C1CCN(c2[nH+]c(CO)cc3ccccc32)CC1 ZINC000040878172 134874427 /nfs/dbraw/zinc/87/44/27/134874427.db2.gz NOWVRCJKGZVCOE-UHFFFAOYSA-N 2 2 285.391 2.258 10 0 CEAELP C[C@H]1CCC[C@@]1(C[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000086676605 135048656 /nfs/dbraw/zinc/04/86/56/135048656.db2.gz IQETVHJVIUZCNR-YOEHRIQHSA-N 2 2 291.414 2.465 10 0 CEAELP CCc1cc(N2Cc3ccccc3C[C@@H]2C[NH3+])nc(C)[nH+]1 ZINC000088760845 135057196 /nfs/dbraw/zinc/05/71/96/135057196.db2.gz BHXMQEXNQQTJBL-MRXNPFEDSA-N 2 2 282.391 2.237 10 0 CEAELP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000089140362 135058389 /nfs/dbraw/zinc/05/83/89/135058389.db2.gz RGCMZWYDBVXJPW-PBHICJAKSA-N 2 2 289.423 2.453 10 0 CEAELP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000251743452 394569184 /nfs/dbraw/zinc/56/91/84/394569184.db2.gz QRSGFNURBZLDDG-HRCADAONSA-N 2 2 266.429 2.241 10 0 CEAELP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000251743452 394569185 /nfs/dbraw/zinc/56/91/85/394569185.db2.gz QRSGFNURBZLDDG-HRCADAONSA-N 2 2 266.429 2.241 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075170 394612927 /nfs/dbraw/zinc/61/29/27/394612927.db2.gz SLBZZSRPVCAXLC-RISCZKNCSA-N 2 2 260.381 2.179 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C[C@@H]1[NH3+] ZINC000262075170 394612930 /nfs/dbraw/zinc/61/29/30/394612930.db2.gz SLBZZSRPVCAXLC-RISCZKNCSA-N 2 2 260.381 2.179 10 0 CEAELP CC[NH+](CC)CCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000191555064 153182146 /nfs/dbraw/zinc/18/21/46/153182146.db2.gz LHKLAJQHIOWMFG-INIZCTEOSA-N 2 2 277.412 2.267 10 0 CEAELP CC[NH+](CC)CCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000191555064 153182150 /nfs/dbraw/zinc/18/21/50/153182150.db2.gz LHKLAJQHIOWMFG-INIZCTEOSA-N 2 2 277.412 2.267 10 0 CEAELP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000227080476 153336835 /nfs/dbraw/zinc/33/68/35/153336835.db2.gz DTPDONVPOCFPCU-KZNAEPCWSA-N 2 2 288.435 2.402 10 0 CEAELP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000227080476 153336839 /nfs/dbraw/zinc/33/68/39/153336839.db2.gz DTPDONVPOCFPCU-KZNAEPCWSA-N 2 2 288.435 2.402 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000178287078 165231347 /nfs/dbraw/zinc/23/13/47/165231347.db2.gz SARSNEDFXNIGLR-GJZGRUSLSA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000178287078 165231350 /nfs/dbraw/zinc/23/13/50/165231350.db2.gz SARSNEDFXNIGLR-GJZGRUSLSA-N 2 2 263.385 2.225 10 0 CEAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)c1nc2cc(Cl)ccc2o1 ZINC000020376165 171171205 /nfs/dbraw/zinc/17/12/05/171171205.db2.gz IJDWAULRAHPUMG-VIFPVBQESA-N 2 2 262.700 2.447 10 0 CEAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325589 173126329 /nfs/dbraw/zinc/12/63/29/173126329.db2.gz HSUDDVJAFWAZEB-YPMHNXCESA-N 2 2 262.353 2.290 10 0 CEAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037325589 173126331 /nfs/dbraw/zinc/12/63/31/173126331.db2.gz HSUDDVJAFWAZEB-YPMHNXCESA-N 2 2 262.353 2.290 10 0 CEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)c1 ZINC000038042952 174047238 /nfs/dbraw/zinc/04/72/38/174047238.db2.gz REKLZVFXZBHDGD-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)c1 ZINC000038042952 174047241 /nfs/dbraw/zinc/04/72/41/174047241.db2.gz REKLZVFXZBHDGD-INIZCTEOSA-N 2 2 287.407 2.150 10 0 CEAELP CCn1c(C[NH2+]CCc2[nH+]ccn2C)nc2ccccc21 ZINC000040639431 174363864 /nfs/dbraw/zinc/36/38/64/174363864.db2.gz PABWGFPTESUAJM-UHFFFAOYSA-N 2 2 283.379 2.122 10 0 CEAELP CC(C)(C)Nc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040680525 174374652 /nfs/dbraw/zinc/37/46/52/174374652.db2.gz RPTVKXIGFALYDJ-UHFFFAOYSA-N 2 2 292.431 2.167 10 0 CEAELP CCOC1CC[NH+]([C@@H](C[NH3+])c2ccc3c(c2)CCO3)CC1 ZINC000040678595 174374952 /nfs/dbraw/zinc/37/49/52/174374952.db2.gz YXUZFYRWXCEGOR-INIZCTEOSA-N 2 2 290.407 2.122 10 0 CEAELP COc1ccc([C@@H]([NH3+])C[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000040718069 174385005 /nfs/dbraw/zinc/38/50/05/174385005.db2.gz NZBFRAQKTPFBFS-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP COc1ccc([C@@H]([NH3+])C[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000040718069 174385006 /nfs/dbraw/zinc/38/50/06/174385006.db2.gz NZBFRAQKTPFBFS-YPMHNXCESA-N 2 2 264.369 2.045 10 0 CEAELP COC(=O)c1oc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000040746928 174392015 /nfs/dbraw/zinc/39/20/15/174392015.db2.gz OJNPRRBWHMKQKV-FUNVUKJBSA-N 2 2 292.379 2.089 10 0 CEAELP COC(=O)c1oc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000040746928 174392016 /nfs/dbraw/zinc/39/20/16/174392016.db2.gz OJNPRRBWHMKQKV-FUNVUKJBSA-N 2 2 292.379 2.089 10 0 CEAELP CC(C)[N@H+](CCO)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042946700 174922576 /nfs/dbraw/zinc/92/25/76/174922576.db2.gz INTFPKVZPBAYMU-ZDUSSCGKSA-N 2 2 256.777 2.043 10 0 CEAELP CC(C)[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042946700 174922578 /nfs/dbraw/zinc/92/25/78/174922578.db2.gz INTFPKVZPBAYMU-ZDUSSCGKSA-N 2 2 256.777 2.043 10 0 CEAELP CCOC1CC[NH+]([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043335485 175011306 /nfs/dbraw/zinc/01/13/06/175011306.db2.gz DOOSJNDQYWAEFC-BXUZGUMPSA-N 2 2 252.358 2.169 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCCO)C(C)C ZINC000043336113 175011743 /nfs/dbraw/zinc/01/17/43/175011743.db2.gz RTISPVHELKDXFI-GXTWGEPZSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCCO)C(C)C ZINC000043336113 175011744 /nfs/dbraw/zinc/01/17/44/175011744.db2.gz RTISPVHELKDXFI-GXTWGEPZSA-N 2 2 254.374 2.151 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CCO)C1CCCCC1 ZINC000043336135 175011778 /nfs/dbraw/zinc/01/17/78/175011778.db2.gz YLZOUAJOWMRTMO-SWLSCSKDSA-N 2 2 266.385 2.295 10 0 CEAELP C[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CCO)C1CCCCC1 ZINC000043336135 175011779 /nfs/dbraw/zinc/01/17/79/175011779.db2.gz YLZOUAJOWMRTMO-SWLSCSKDSA-N 2 2 266.385 2.295 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@H+](CC)[C@@H](C)COC ZINC000043336293 175012283 /nfs/dbraw/zinc/01/22/83/175012283.db2.gz NJECBXIMMJSFLS-SGMGOOAPSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@H]([NH3+])[C@H](c1ccco1)[N@@H+](CC)[C@@H](C)COC ZINC000043336293 175012285 /nfs/dbraw/zinc/01/22/85/175012285.db2.gz NJECBXIMMJSFLS-SGMGOOAPSA-N 2 2 254.374 2.415 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@H+](CCOC)CC(C)C ZINC000043340429 175014145 /nfs/dbraw/zinc/01/41/45/175014145.db2.gz XUKSTEDBFXXDSC-GDBMZVCRSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccccn1)[N@@H+](CCOC)CC(C)C ZINC000043340429 175014146 /nfs/dbraw/zinc/01/41/46/175014146.db2.gz XUKSTEDBFXXDSC-GDBMZVCRSA-N 2 2 279.428 2.464 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043346276 175017331 /nfs/dbraw/zinc/01/73/31/175017331.db2.gz MNAQZUJGKLHILI-MGPQQGTHSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043346276 175017332 /nfs/dbraw/zinc/01/73/32/175017332.db2.gz MNAQZUJGKLHILI-MGPQQGTHSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)[NH+]1CCC(CO)CC1 ZINC000043364005 175024506 /nfs/dbraw/zinc/02/45/06/175024506.db2.gz OVSGGGHRCOUOKI-UKRRQHHQSA-N 2 2 266.385 2.071 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)[NH+]1CCC(OC)CC1 ZINC000043364103 175025020 /nfs/dbraw/zinc/02/50/20/175025020.db2.gz XABACJWXVAJWCG-HIFRSBDPSA-N 2 2 266.385 2.477 10 0 CEAELP CCC[NH+](CCC)[C@@H]1CC2(CC[C@H]1[NH2+]CC)OCCO2 ZINC000043814807 175111908 /nfs/dbraw/zinc/11/19/08/175111908.db2.gz BKFNAWOKNINSOG-HUUCEWRRSA-N 2 2 284.444 2.382 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@@H+]1CCOC(C)(C)C1 ZINC000043897810 175120422 /nfs/dbraw/zinc/12/04/22/175120422.db2.gz ODNBBMBJOQOGTE-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1[N@H+]1CCOC(C)(C)C1 ZINC000043897810 175120423 /nfs/dbraw/zinc/12/04/23/175120423.db2.gz ODNBBMBJOQOGTE-RDBSUJKOSA-N 2 2 254.418 2.264 10 0 CEAELP CCC[NH2+][C@H]1CCC[C@@H]1[NH+]1CCC(OCC)CC1 ZINC000043907533 175123258 /nfs/dbraw/zinc/12/32/58/175123258.db2.gz QAHBRICSNHZHGV-GJZGRUSLSA-N 2 2 254.418 2.408 10 0 CEAELP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1[NH+](CCOC)CCOC ZINC000043912884 175124525 /nfs/dbraw/zinc/12/45/25/175124525.db2.gz FTYPEMFICHGHLH-OAGGEKHMSA-N 2 2 286.460 2.138 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967028 175128090 /nfs/dbraw/zinc/12/80/90/175128090.db2.gz NYXKTMKOGSFVRR-WUCCLRPBSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967028 175128091 /nfs/dbraw/zinc/12/80/91/175128091.db2.gz NYXKTMKOGSFVRR-WUCCLRPBSA-N 2 2 254.418 2.264 10 0 CEAELP CCc1ccc([C@@H](C[N@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969123 175130258 /nfs/dbraw/zinc/13/02/58/175130258.db2.gz FVNYPYOMGMPAPP-XJKSGUPXSA-N 2 2 264.413 2.476 10 0 CEAELP CCc1ccc([C@@H](C[N@@H+](C)[C@@H](C)COC)[NH2+]C)cc1 ZINC000043969123 175130259 /nfs/dbraw/zinc/13/02/59/175130259.db2.gz FVNYPYOMGMPAPP-XJKSGUPXSA-N 2 2 264.413 2.476 10 0 CEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cccc(F)c1F ZINC000045134441 175312371 /nfs/dbraw/zinc/31/23/71/175312371.db2.gz YMBXXNSXPUCRRO-UHFFFAOYSA-N 2 2 251.280 2.031 10 0 CEAELP CCn1nc(C)c([C@@H](C)[N@@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000045173313 175322355 /nfs/dbraw/zinc/32/23/55/175322355.db2.gz QZISSQFGHGFCEG-TZMCWYRMSA-N 2 2 264.417 2.394 10 0 CEAELP CCn1nc(C)c([C@@H](C)[N@H+]2CCCC[C@@H]2C[NH3+])c1C ZINC000045173313 175322356 /nfs/dbraw/zinc/32/23/56/175322356.db2.gz QZISSQFGHGFCEG-TZMCWYRMSA-N 2 2 264.417 2.394 10 0 CEAELP CCC[NH2+][C@](C)(CCCC[NH+]1CCCC1)C(=O)OC ZINC000045375272 175366290 /nfs/dbraw/zinc/36/62/90/175366290.db2.gz GEKHEKMEGWBSDE-OAHLLOKOSA-N 2 2 270.417 2.184 10 0 CEAELP C[NH2+][C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419346 175377833 /nfs/dbraw/zinc/37/78/33/175377833.db2.gz GUPDTUYSQDRDSG-ZMSDIMECSA-N 2 2 296.455 2.430 10 0 CEAELP C[NH2+][C@](C)(CCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OC ZINC000045419346 175377834 /nfs/dbraw/zinc/37/78/34/175377834.db2.gz GUPDTUYSQDRDSG-ZMSDIMECSA-N 2 2 296.455 2.430 10 0 CEAELP CC[C@H]([NH3+])Cc1[nH+]ccn1C[C@@H]1OCCc2ccccc21 ZINC000071099254 176033246 /nfs/dbraw/zinc/03/32/46/176033246.db2.gz NZCCPYRFEIPDRD-HOCLYGCPSA-N 2 2 285.391 2.477 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCOC(C)(C)C2)C1 ZINC000071123447 176034881 /nfs/dbraw/zinc/03/48/81/176034881.db2.gz KMTLUNOVMSXAMQ-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCOC(C)(C)C2)C1 ZINC000071123447 176034882 /nfs/dbraw/zinc/03/48/82/176034882.db2.gz KMTLUNOVMSXAMQ-UKRRQHHQSA-N 2 2 254.418 2.395 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125780 176035727 /nfs/dbraw/zinc/03/57/27/176035727.db2.gz LCLMWGYXFMJEEU-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](CC)C1 ZINC000071125780 176035728 /nfs/dbraw/zinc/03/57/28/176035728.db2.gz LCLMWGYXFMJEEU-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@@H+]2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162682 176046826 /nfs/dbraw/zinc/04/68/26/176046826.db2.gz UKSLZGMGHSDCCG-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CCOC(=O)[C@@]1([N@H+]2CCC[NH2+]CC2)CCCC[C@H]1CC ZINC000071162682 176046827 /nfs/dbraw/zinc/04/68/27/176046827.db2.gz UKSLZGMGHSDCCG-GDBMZVCRSA-N 2 2 282.428 2.184 10 0 CEAELP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2cc(N)ccc2[nH+]1 ZINC000071188501 176062969 /nfs/dbraw/zinc/06/29/69/176062969.db2.gz JGMUBMXKAKFHGI-GFCCVEGCSA-N 2 2 270.380 2.205 10 0 CEAELP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc2cc(N)ccc2[nH+]1 ZINC000071188501 176062970 /nfs/dbraw/zinc/06/29/70/176062970.db2.gz JGMUBMXKAKFHGI-GFCCVEGCSA-N 2 2 270.380 2.205 10 0 CEAELP C[N@@H+](Cc1c2ccccc2oc1C[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071191807 176072264 /nfs/dbraw/zinc/07/22/64/176072264.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 3 2 287.407 2.275 10 0 CEAELP C[N@H+](Cc1c2ccccc2oc1C[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071191807 176072266 /nfs/dbraw/zinc/07/22/66/176072266.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 3 2 287.407 2.275 10 0 CEAELP C[NH+](Cc1c2ccccc2oc1C[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071191807 176072268 /nfs/dbraw/zinc/07/22/68/176072268.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 3 2 287.407 2.275 10 0 CEAELP C[NH+](Cc1c2ccccc2oc1C[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071191807 176072269 /nfs/dbraw/zinc/07/22/69/176072269.db2.gz SDJUPFSYEZTHNL-CYBMUJFWSA-N 3 2 287.407 2.275 10 0 CEAELP Cc1oc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072478 /nfs/dbraw/zinc/07/24/78/176072478.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072479 /nfs/dbraw/zinc/07/24/79/176072479.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072480 /nfs/dbraw/zinc/07/24/80/176072480.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072481 /nfs/dbraw/zinc/07/24/81/176072481.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199365 176077127 /nfs/dbraw/zinc/07/71/27/176077127.db2.gz SZFXQHXJJPZDKU-HOTGVXAUSA-N 2 2 272.392 2.207 10 0 CEAELP c1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@H]([NH2+]C3CC3)C1)O2 ZINC000071199365 176077128 /nfs/dbraw/zinc/07/71/28/176077128.db2.gz SZFXQHXJJPZDKU-HOTGVXAUSA-N 2 2 272.392 2.207 10 0 CEAELP CC[N@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CC[NH2+]C1 ZINC000071313667 176120235 /nfs/dbraw/zinc/12/02/35/176120235.db2.gz FRXCNRREJQUUHG-AWEZNQCLSA-N 2 2 278.396 2.196 10 0 CEAELP CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CC[NH2+]C1 ZINC000071313667 176120236 /nfs/dbraw/zinc/12/02/36/176120236.db2.gz FRXCNRREJQUUHG-AWEZNQCLSA-N 2 2 278.396 2.196 10 0 CEAELP CC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000071342595 176130275 /nfs/dbraw/zinc/13/02/75/176130275.db2.gz PQRCPGVGSHMIBB-ZFWWWQNUSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@H](C)[C@@H]1CNC(C)(C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000071342595 176130276 /nfs/dbraw/zinc/13/02/76/176130276.db2.gz PQRCPGVGSHMIBB-ZFWWWQNUSA-N 2 2 278.444 2.290 10 0 CEAELP CC[C@H](C)[C@@H]1CNC(C)(C)C[N@H+]1CCn1cc[nH+]c1C ZINC000071342595 176130277 /nfs/dbraw/zinc/13/02/77/176130277.db2.gz PQRCPGVGSHMIBB-ZFWWWQNUSA-N 2 2 278.444 2.290 10 0 CEAELP CCC[C@H]1C[NH2+][C@](C)(CC)CN1CCn1cc[nH+]c1C ZINC000071356833 176136791 /nfs/dbraw/zinc/13/67/91/176136791.db2.gz XFWLTABULOIXDE-JKSUJKDBSA-N 2 2 278.444 2.434 10 0 CEAELP CCOCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000071358466 176137846 /nfs/dbraw/zinc/13/78/46/176137846.db2.gz WOZVZPUNLOHMDS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP CCOCC[N@H+]1CC2(CCCC2)[NH2+]C[C@@H]1C(C)C ZINC000071358466 176137848 /nfs/dbraw/zinc/13/78/48/176137848.db2.gz WOZVZPUNLOHMDS-CQSZACIVSA-N 2 2 254.418 2.266 10 0 CEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000133547775 419432234 /nfs/dbraw/zinc/43/22/34/419432234.db2.gz YYSXJAJBJREJRL-MDZLAQPJSA-N 2 2 284.350 2.382 10 0 CEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[NH2+]CC1 ZINC000053994918 273692839 /nfs/dbraw/zinc/69/28/39/273692839.db2.gz VXYVJTJEGVHBRS-UHFFFAOYSA-N 2 2 299.374 2.130 10 0 CEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810701 276376083 /nfs/dbraw/zinc/37/60/83/276376083.db2.gz IYZJAMURRGKJBI-SRVKXCTJSA-N 2 2 280.334 2.170 10 0 CEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000336810701 276376084 /nfs/dbraw/zinc/37/60/84/276376084.db2.gz IYZJAMURRGKJBI-SRVKXCTJSA-N 2 2 280.334 2.170 10 0 CEAELP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H]3C[NH3+])c2O1 ZINC000131387799 278396656 /nfs/dbraw/zinc/39/66/56/278396656.db2.gz YLAIZFJRAIUBMW-CQSZACIVSA-N 2 2 260.381 2.323 10 0 CEAELP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@H]3C[NH3+])c2O1 ZINC000131387799 278396658 /nfs/dbraw/zinc/39/66/58/278396658.db2.gz YLAIZFJRAIUBMW-CQSZACIVSA-N 2 2 260.381 2.323 10 0 CEAELP CC(C)(C)[NH2+]Cc1cc(C[NH+]2CCSCC2)on1 ZINC000052425577 518763809 /nfs/dbraw/zinc/76/38/09/518763809.db2.gz AOMJBBUOPTUWCC-UHFFFAOYSA-N 2 2 269.414 2.112 10 0 CEAELP CCOC(=O)[C@@](C)(C[C@H](C)n1cc[nH+]c1C(C)C)[NH2+]C ZINC000068648698 521152103 /nfs/dbraw/zinc/15/21/03/521152103.db2.gz XLWGVIQPVPVFCX-SWLSCSKDSA-N 2 2 281.400 2.499 10 0 CEAELP C[NH2+]CC[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052419006 522016282 /nfs/dbraw/zinc/01/62/82/522016282.db2.gz XJGMMGLBBWSHIQ-CYBMUJFWSA-N 2 2 281.831 2.460 10 0 CEAELP C[NH2+]Cc1cc(C[N@H+]2CCc3sccc3C2)on1 ZINC000052416526 522106371 /nfs/dbraw/zinc/10/63/71/522106371.db2.gz FXXZVVUSDBHIKA-UHFFFAOYSA-N 2 2 263.366 2.014 10 0 CEAELP CCC[NH2+][C@H](CCc1ccsc1)[C@@H]1C[NH+]2CCN1CC2 ZINC000094510857 517590061 /nfs/dbraw/zinc/59/00/61/517590061.db2.gz QVXCGWSXNGPQSN-CVEARBPZSA-N 2 2 293.480 2.049 10 0 CEAELP C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCn2cc[nH+]c2C1 ZINC000062245644 518182663 /nfs/dbraw/zinc/18/26/63/518182663.db2.gz JCZYTQZYTKXGSQ-NHYWBVRUSA-N 2 2 290.798 2.441 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543355 519815871 /nfs/dbraw/zinc/81/58/71/519815871.db2.gz WOCUFVYEHDZKJB-OCCSQVGLSA-N 2 2 254.418 2.262 10 0 CEAELP CC(C)[C@H](C[NH2+]C1CC1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543355 519815872 /nfs/dbraw/zinc/81/58/72/519815872.db2.gz WOCUFVYEHDZKJB-OCCSQVGLSA-N 2 2 254.418 2.262 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCOCC ZINC000054601488 519909629 /nfs/dbraw/zinc/90/96/29/519909629.db2.gz FKVKKQSHJXHGKD-GOOCMWNKSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCOCC ZINC000054601488 519909634 /nfs/dbraw/zinc/90/96/34/519909634.db2.gz FKVKKQSHJXHGKD-GOOCMWNKSA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+]C[C@]1(Cc2[nH+]cc(C)c(OC)c2C)CCOC1 ZINC000054664198 519982819 /nfs/dbraw/zinc/98/28/19/519982819.db2.gz FUFGVIUXGBVHAH-MRXNPFEDSA-N 2 2 278.396 2.266 10 0 CEAELP CC[NH2+][C@H](Cc1[nH]cc[nH+]1)c1ccc(OC)c(F)c1 ZINC000061668928 520206105 /nfs/dbraw/zinc/20/61/05/520206105.db2.gz LARIUSXGIFQIBG-GFCCVEGCSA-N 2 2 263.316 2.451 10 0 CEAELP CCO[C@@H](C[NH3+])CCn1cc[nH+]c1-c1ccccc1 ZINC000062741442 520309091 /nfs/dbraw/zinc/30/90/91/520309091.db2.gz KNWLPZQJGMPEQS-CQSZACIVSA-N 2 2 259.353 2.304 10 0 CEAELP CCNc1nc(N2CC[NH+](C)CC2)[nH+]c(C)c1C(C)C ZINC000061687464 520357949 /nfs/dbraw/zinc/35/79/49/520357949.db2.gz DURSHPJRFSOWSM-UHFFFAOYSA-N 2 2 277.416 2.092 10 0 CEAELP CC1(C)C[N@H+](Cc2occc2C[NH2+]C2CC2)CCO1 ZINC000052481781 520488926 /nfs/dbraw/zinc/48/89/26/520488926.db2.gz SPOBSVCYVRNOTI-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC1(C)C[N@@H+](Cc2occc2C[NH2+]C2CC2)CCO1 ZINC000052481781 520488934 /nfs/dbraw/zinc/48/89/34/520488934.db2.gz SPOBSVCYVRNOTI-UHFFFAOYSA-N 2 2 264.369 2.142 10 0 CEAELP CC[N@H+](CCOC)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502640 521137218 /nfs/dbraw/zinc/13/72/18/521137218.db2.gz DTPNZXPAISIDMG-MRXNPFEDSA-N 2 2 273.380 2.203 10 0 CEAELP CC[N@@H+](CCOC)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502640 521137223 /nfs/dbraw/zinc/13/72/23/521137223.db2.gz DTPNZXPAISIDMG-MRXNPFEDSA-N 2 2 273.380 2.203 10 0 CEAELP CCOC(=O)[C@]1([N@H+]2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631406 521358211 /nfs/dbraw/zinc/35/82/11/521358211.db2.gz JLFWCQYICIQGEM-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CCOC(=O)[C@]1([N@@H+]2CCC[NH2+]CC2)CCC[C@@H](C)[C@@H]1C ZINC000068631406 521358206 /nfs/dbraw/zinc/35/82/06/521358206.db2.gz JLFWCQYICIQGEM-YCPHGPKFSA-N 2 2 282.428 2.040 10 0 CEAELP CC[N@@H+]([C@@H](C[NH2+]C)c1ccccc1)[C@@H](C)COC ZINC000052505103 521472650 /nfs/dbraw/zinc/47/26/50/521472650.db2.gz JVFWUIZAGXOTAU-ZFWWWQNUSA-N 2 2 250.386 2.304 10 0 CEAELP CC[N@H+]([C@@H](C[NH2+]C)c1ccccc1)[C@@H](C)COC ZINC000052505103 521472655 /nfs/dbraw/zinc/47/26/55/521472655.db2.gz JVFWUIZAGXOTAU-ZFWWWQNUSA-N 2 2 250.386 2.304 10 0 CEAELP CC[NH+]1CCC([C@H](C)[NH2+]CC[NH+]2CCCCC2)CC1 ZINC000049574790 521585246 /nfs/dbraw/zinc/58/52/46/521585246.db2.gz HSYIOSWMEWPSPR-HNNXBMFYSA-N 3 2 267.461 2.182 10 0 CEAELP CCC1(CC)C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000068696273 521690817 /nfs/dbraw/zinc/69/08/17/521690817.db2.gz SCMCZEFVOYHRAM-UHFFFAOYSA-N 2 2 272.396 2.298 10 0 CEAELP COc1c(C)c[nH+]c(C[C@@H]([NH3+])Cc2ccccn2)c1C ZINC000053818140 521816530 /nfs/dbraw/zinc/81/65/30/521816530.db2.gz QHISFPSYJVGRGG-ZDUSSCGKSA-N 2 2 271.364 2.215 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541509 522063291 /nfs/dbraw/zinc/06/32/91/522063291.db2.gz BDOXRIZKFBRDJW-OAHLLOKOSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000052541509 522063296 /nfs/dbraw/zinc/06/32/96/522063296.db2.gz BDOXRIZKFBRDJW-OAHLLOKOSA-N 2 2 250.386 2.371 10 0 CEAELP C[NH2+]Cc1cc(C[N@@H+]2CCc3sccc3C2)on1 ZINC000052416526 522106360 /nfs/dbraw/zinc/10/63/60/522106360.db2.gz FXXZVVUSDBHIKA-UHFFFAOYSA-N 2 2 263.366 2.014 10 0 CEAELP COc1cc(C[NH2+]C2CC2)c(-c2[nH+]ccn2C)cc1OC ZINC000069473138 522441977 /nfs/dbraw/zinc/44/19/77/522441977.db2.gz ZKSSFYRIFVNIHV-UHFFFAOYSA-N 2 2 287.363 2.356 10 0 CEAELP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157499635 522693606 /nfs/dbraw/zinc/69/36/06/522693606.db2.gz NXVJYJAVYGSSFK-GDBMZVCRSA-N 2 2 270.380 2.217 10 0 CEAELP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000049554358 524478702 /nfs/dbraw/zinc/47/87/02/524478702.db2.gz YPKAHHRCKSKPET-GXTWGEPZSA-N 2 2 275.396 2.024 10 0 CEAELP Cc1cccc(N2CC[NH+](C[C@H]([NH3+])C3CC3)CC2)c1C ZINC000069073796 524557489 /nfs/dbraw/zinc/55/74/89/524557489.db2.gz XIUUGOLWKJQKPC-INIZCTEOSA-N 2 2 273.424 2.163 10 0 CEAELP Cc1cc(C[NH+]2CCN(C)CC2)oc1C[NH2+]C(C)(C)C ZINC000052379650 524694009 /nfs/dbraw/zinc/69/40/09/524694009.db2.gz YUXXXJNEGYFYER-UHFFFAOYSA-N 2 2 279.428 2.224 10 0 CEAELP C[C@]1(c2ccccc2)C[NH2+]CCN1CCCn1cc[nH+]c1 ZINC000068696520 525333007 /nfs/dbraw/zinc/33/30/07/525333007.db2.gz CBJQWQRSTOQNSM-QGZVFWFLSA-N 2 2 284.407 2.094 10 0 CEAELP C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052505470 525736041 /nfs/dbraw/zinc/73/60/41/525736041.db2.gz YDDYNEXSDBQCHT-SECBINFHSA-N 2 2 263.366 2.314 10 0 CEAELP C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052505470 525736045 /nfs/dbraw/zinc/73/60/45/525736045.db2.gz YDDYNEXSDBQCHT-SECBINFHSA-N 2 2 263.366 2.314 10 0 CEAELP c1c(CN2CC[NH2+]C3(CCCCC3)C2)[nH+]c2ccccn12 ZINC000068693393 526397418 /nfs/dbraw/zinc/39/74/18/526397418.db2.gz GZGWMCZBHMWASN-UHFFFAOYSA-N 2 2 284.407 2.442 10 0 CEAELP c1cc(C[NH2+]C2CC2)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540175 526426346 /nfs/dbraw/zinc/42/63/46/526426346.db2.gz UUTXUWDVRYCAQC-GJZGRUSLSA-N 2 2 276.380 2.285 10 0 CEAELP c1cc(C[NH2+]C2CC2)c(C[N@H+]2CCO[C@H]3CCC[C@@H]32)o1 ZINC000052540175 526426350 /nfs/dbraw/zinc/42/63/50/526426350.db2.gz UUTXUWDVRYCAQC-GJZGRUSLSA-N 2 2 276.380 2.285 10 0 CEAELP Cc1oc(C[N@@H+]2CCOC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052475809 526771187 /nfs/dbraw/zinc/77/11/87/526771187.db2.gz SWAPBIFGBOJVAO-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[N@H+]2CCOC[C@@H]2C)cc1C[NH2+]C(C)C ZINC000052475809 526771191 /nfs/dbraw/zinc/77/11/91/526771191.db2.gz SWAPBIFGBOJVAO-LBPRGKRZSA-N 2 2 266.385 2.307 10 0 CEAELP Cc1oc(C[N@@H+]2CCOCC2(C)C)cc1C[NH2+]C1CC1 ZINC000052546089 526771680 /nfs/dbraw/zinc/77/16/80/526771680.db2.gz DGHQMKDLJZHKNI-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP Cc1oc(C[N@H+]2CCOCC2(C)C)cc1C[NH2+]C1CC1 ZINC000052546089 526771687 /nfs/dbraw/zinc/77/16/87/526771687.db2.gz DGHQMKDLJZHKNI-UHFFFAOYSA-N 2 2 278.396 2.451 10 0 CEAELP CC[C@H]1CN(c2ccc([NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000086148775 536160871 /nfs/dbraw/zinc/16/08/71/536160871.db2.gz XLQUAWFHKLTKBU-AWEZNQCLSA-N 2 2 259.397 2.475 10 0 CEAELP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCO)CC2)c(C)s1 ZINC000399007799 628768952 /nfs/dbraw/zinc/76/89/52/628768952.db2.gz AMAVXSUICPNLBO-LBPRGKRZSA-N 2 2 282.453 2.472 10 0 CEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129107010 651805530 /nfs/dbraw/zinc/80/55/30/651805530.db2.gz AIYKVXQDVPTBRQ-UONOGXRCSA-N 3 2 264.417 2.030 10 0 CEAELP Cc1cccc(OCC[C@@H](C[NH3+])c2[nH+]ccn2C)c1 ZINC000082296280 177950571 /nfs/dbraw/zinc/95/05/71/177950571.db2.gz RSYTXKLZHZAWCH-ZDUSSCGKSA-N 2 2 259.353 2.240 10 0 CEAELP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020561 344558122 /nfs/dbraw/zinc/55/81/22/344558122.db2.gz NBMKBZCHEUOFEM-VXNVDRBHSA-N 2 2 275.215 2.462 10 0 CEAELP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1sccc1Br ZINC000228020561 344558123 /nfs/dbraw/zinc/55/81/23/344558123.db2.gz NBMKBZCHEUOFEM-VXNVDRBHSA-N 2 2 275.215 2.462 10 0 CEAELP CSC[C@H](C)C[NH2+]CC[NH2+]Cc1ccccc1 ZINC000307167417 344720251 /nfs/dbraw/zinc/72/02/51/344720251.db2.gz RNTNALXHWMMXMD-CYBMUJFWSA-N 2 2 252.427 2.365 10 0 CEAELP O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000054306449 362525468 /nfs/dbraw/zinc/52/54/68/362525468.db2.gz SLHRWIXESITMEJ-ZDUSSCGKSA-N 2 2 284.363 2.201 10 0 CEAELP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000127393127 187302032 /nfs/dbraw/zinc/30/20/32/187302032.db2.gz MTZHQEFBUMZDQH-IRXDYDNUSA-N 2 2 276.424 2.054 10 0 CEAELP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000127393127 187302034 /nfs/dbraw/zinc/30/20/34/187302034.db2.gz MTZHQEFBUMZDQH-IRXDYDNUSA-N 2 2 276.424 2.054 10 0 CEAELP CCn1cc[nH+]c1C[C@H]([NH3+])[C@H]1Cc2ccccc2S1 ZINC000097304486 185580976 /nfs/dbraw/zinc/58/09/76/185580976.db2.gz JXCLCJZCLMANFU-GXTWGEPZSA-N 2 2 273.405 2.490 10 0 CEAELP CCn1nccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128251297 187360498 /nfs/dbraw/zinc/36/04/98/187360498.db2.gz ISZLEJGPXABIGG-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP CCn1nccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128251297 187360499 /nfs/dbraw/zinc/36/04/99/187360499.db2.gz ISZLEJGPXABIGG-CQSZACIVSA-N 2 2 285.395 2.232 10 0 CEAELP CCC[NH2+][C@](C)(CO)C[NH+]1CCC2(CCCC2)CC1 ZINC000085212662 178976181 /nfs/dbraw/zinc/97/61/81/178976181.db2.gz JIOWZYQQUPWLLW-HNNXBMFYSA-N 2 2 268.445 2.393 10 0 CEAELP CCO[C@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)C(C)C)C1(C)C ZINC000085397875 179050499 /nfs/dbraw/zinc/05/04/99/179050499.db2.gz WWEGHORDAXBGNS-MJBXVCDLSA-N 2 2 256.434 2.366 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494105 179081742 /nfs/dbraw/zinc/08/17/42/179081742.db2.gz JSMWIMGOQVAKJC-AEGPPILISA-N 2 2 254.418 2.121 10 0 CEAELP CC[C@H](C)[C@@H]1C[N@@H+](CCOC)[C@@](C)(C2CC2)C[NH2+]1 ZINC000085494105 179081745 /nfs/dbraw/zinc/08/17/45/179081745.db2.gz JSMWIMGOQVAKJC-AEGPPILISA-N 2 2 254.418 2.121 10 0 CEAELP CC1(C)C[N@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471523 179076192 /nfs/dbraw/zinc/07/61/92/179076192.db2.gz WHNJRWZNVNAISG-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[N@@H+](C[C@@H]2CCOC2)C2(CCCCC2)C[NH2+]1 ZINC000085471523 179076193 /nfs/dbraw/zinc/07/61/93/179076193.db2.gz WHNJRWZNVNAISG-AWEZNQCLSA-N 2 2 266.429 2.410 10 0 CEAELP CC1(C)C[NH2+][C@@](C)(C2CC2)CN1CCCn1cc[nH+]c1 ZINC000085514362 179086909 /nfs/dbraw/zinc/08/69/09/179086909.db2.gz MBKZBYOJFKJXCT-MRXNPFEDSA-N 2 2 276.428 2.126 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(C2CC2)C[N@@H+]1CCOCCOC ZINC000085515596 179088177 /nfs/dbraw/zinc/08/81/77/179088177.db2.gz PMTSFOUPLHAWIN-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP CCC1(CC)C[NH2+][C@](C)(C2CC2)C[N@H+]1CCOCCOC ZINC000085515596 179088179 /nfs/dbraw/zinc/08/81/79/179088179.db2.gz PMTSFOUPLHAWIN-INIZCTEOSA-N 2 2 298.471 2.282 10 0 CEAELP COCCC[N@@H+]1CC2(CCCC2)[NH2+]C[C@H]1C(C)C ZINC000085498023 179083177 /nfs/dbraw/zinc/08/31/77/179083177.db2.gz LKUHIRWZDBINEX-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP COCCC[N@H+]1CC2(CCCC2)[NH2+]C[C@H]1C(C)C ZINC000085498023 179083180 /nfs/dbraw/zinc/08/31/80/179083180.db2.gz LKUHIRWZDBINEX-AWEZNQCLSA-N 2 2 254.418 2.266 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609103 179100874 /nfs/dbraw/zinc/10/08/74/179100874.db2.gz ARAHLUVEVXNLAT-VXGBXAGGSA-N 2 2 282.350 2.275 10 0 CEAELP CC[C@@H](C)[C@H]1C[N@@H+](CCOCC(F)(F)F)CCC[NH2+]1 ZINC000085609103 179100875 /nfs/dbraw/zinc/10/08/75/179100875.db2.gz ARAHLUVEVXNLAT-VXGBXAGGSA-N 2 2 282.350 2.275 10 0 CEAELP CC(C)[C@H]1C[N@H+](CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617935 179104346 /nfs/dbraw/zinc/10/43/46/179104346.db2.gz LDVCRFKCVPHGOA-NWDGAFQWSA-N 2 2 282.350 2.274 10 0 CEAELP CC(C)[C@H]1C[N@@H+](CCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085617935 179104347 /nfs/dbraw/zinc/10/43/47/179104347.db2.gz LDVCRFKCVPHGOA-NWDGAFQWSA-N 2 2 282.350 2.274 10 0 CEAELP C[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675783 179112693 /nfs/dbraw/zinc/11/26/93/179112693.db2.gz CYAVBGNVOLVDPR-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP C[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675783 179112694 /nfs/dbraw/zinc/11/26/94/179112694.db2.gz CYAVBGNVOLVDPR-XQLPTFJDSA-N 2 2 266.429 2.264 10 0 CEAELP C[NH2+][C@H](Cc1ccc(Br)cc1)C[NH+](C)C ZINC000085798912 179173400 /nfs/dbraw/zinc/17/34/00/179173400.db2.gz PRAFULUJEZVAIX-GFCCVEGCSA-N 2 2 271.202 2.141 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C2CC2)C[N@@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261353 179260573 /nfs/dbraw/zinc/26/05/73/179260573.db2.gz VFRCPBBGDQRZJW-BARDWOONSA-N 2 2 252.402 2.016 10 0 CEAELP CC[C@@H]1C[NH2+][C@H](C2CC2)C[N@H+]1[C@@H]1CCC[C@@H]1OC ZINC000086261353 179260576 /nfs/dbraw/zinc/26/05/76/179260576.db2.gz VFRCPBBGDQRZJW-BARDWOONSA-N 2 2 252.402 2.016 10 0 CEAELP Cc1nccc(C[N@@H+]2CCC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000086292601 179265978 /nfs/dbraw/zinc/26/59/78/179265978.db2.gz PMNDOIHAUFOMHE-KRWDZBQOSA-N 2 2 282.391 2.322 10 0 CEAELP Cc1nccc(C[N@H+]2CCC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000086292601 179265981 /nfs/dbraw/zinc/26/59/81/179265981.db2.gz PMNDOIHAUFOMHE-KRWDZBQOSA-N 2 2 282.391 2.322 10 0 CEAELP CCC1(CC)C[N@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296374 179267484 /nfs/dbraw/zinc/26/74/84/179267484.db2.gz LHNDKXPTWYXJES-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP CCC1(CC)C[N@@H+](Cc2ccnc(OC)c2)CCC[NH2+]1 ZINC000086296374 179267487 /nfs/dbraw/zinc/26/74/87/179267487.db2.gz LHNDKXPTWYXJES-UHFFFAOYSA-N 2 2 277.412 2.444 10 0 CEAELP [NH3+]C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(Cl)cs1 ZINC000086333403 179273561 /nfs/dbraw/zinc/27/35/61/179273561.db2.gz UZFXKVKLAPBXAK-UWVGGRQHSA-N 2 2 260.790 2.170 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1cnc(Cl)s1 ZINC000086777915 179329908 /nfs/dbraw/zinc/32/99/08/179329908.db2.gz CZCCDQISYWUZSP-BDAKNGLRSA-N 2 2 259.806 2.356 10 0 CEAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1cnc(Cl)s1 ZINC000086777915 179329910 /nfs/dbraw/zinc/32/99/10/179329910.db2.gz CZCCDQISYWUZSP-BDAKNGLRSA-N 2 2 259.806 2.356 10 0 CEAELP CC[N@@H+]1CCC[C@@H](Nc2ccc[nH+]c2N(C)C)CC1 ZINC000086838673 179351273 /nfs/dbraw/zinc/35/12/73/179351273.db2.gz SGUWDJKUSBVQAB-CYBMUJFWSA-N 2 2 262.401 2.434 10 0 CEAELP CC[N@H+]1CCC[C@@H](Nc2ccc[nH+]c2N(C)C)CC1 ZINC000086838673 179351276 /nfs/dbraw/zinc/35/12/76/179351276.db2.gz SGUWDJKUSBVQAB-CYBMUJFWSA-N 2 2 262.401 2.434 10 0 CEAELP CCC[N@@H+]1CCC[C@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC000086844449 179354569 /nfs/dbraw/zinc/35/45/69/179354569.db2.gz AMDATNWYYWACHJ-AWEZNQCLSA-N 2 2 262.401 2.139 10 0 CEAELP CCC[N@H+]1CCC[C@H]([NH2+]Cc2cnc(C)cn2)CC1 ZINC000086844449 179354571 /nfs/dbraw/zinc/35/45/71/179354571.db2.gz AMDATNWYYWACHJ-AWEZNQCLSA-N 2 2 262.401 2.139 10 0 CEAELP C[C@H]1C[C@@](C[NH3+])([N@H+](C)Cc2cccs2)CS1 ZINC000086936653 179367937 /nfs/dbraw/zinc/36/79/37/179367937.db2.gz VULDOCJGQNWHPW-JQWIXIFHSA-N 2 2 256.440 2.403 10 0 CEAELP C[C@H]1C[C@@](C[NH3+])([N@@H+](C)Cc2cccs2)CS1 ZINC000086936653 179367938 /nfs/dbraw/zinc/36/79/38/179367938.db2.gz VULDOCJGQNWHPW-JQWIXIFHSA-N 2 2 256.440 2.403 10 0 CEAELP C[NH+](C)CC[NH2+][C@]1(CO)CCC[C@H](C(C)(C)C)CC1 ZINC000086962045 179369694 /nfs/dbraw/zinc/36/96/94/179369694.db2.gz GBZOEPQYLRRFHE-GOEBONIOSA-N 2 2 270.461 2.495 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616621457 348537266 /nfs/dbraw/zinc/53/72/66/348537266.db2.gz OLLHGIDTDRWERQ-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616621457 348537268 /nfs/dbraw/zinc/53/72/68/348537268.db2.gz OLLHGIDTDRWERQ-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cncc3ccccc32)C1 ZINC000616621489 348537331 /nfs/dbraw/zinc/53/73/31/348537331.db2.gz QALYFYZIGRNQKP-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@H+]1CCC[C@H](c2cncc3ccccc32)C1 ZINC000616621489 348537335 /nfs/dbraw/zinc/53/73/35/348537335.db2.gz QALYFYZIGRNQKP-AWEZNQCLSA-N 2 2 255.365 2.373 10 0 CEAELP [NH3+]CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616691722 348561996 /nfs/dbraw/zinc/56/19/96/348561996.db2.gz LQILUMPXYRVRPV-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP [NH3+]CC[N@H+]1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616691722 348562000 /nfs/dbraw/zinc/56/20/00/348562000.db2.gz LQILUMPXYRVRPV-SFHVURJKSA-N 2 2 282.387 2.085 10 0 CEAELP COc1cccc(-c2c[nH]c(C[C@@H]3CC[NH2+]C3)[nH+]2)c1 ZINC000089749554 179858938 /nfs/dbraw/zinc/85/89/38/179858938.db2.gz MGASYXJGBGVIHN-NSHDSACASA-N 2 2 257.337 2.237 10 0 CEAELP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693372 180025337 /nfs/dbraw/zinc/02/53/37/180025337.db2.gz GSVCACQFMMGFRD-CABCVRRESA-N 2 2 295.471 2.288 10 0 CEAELP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693372 180025340 /nfs/dbraw/zinc/02/53/40/180025340.db2.gz GSVCACQFMMGFRD-CABCVRRESA-N 2 2 295.471 2.288 10 0 CEAELP CCO[C@H]1CCC[N@H+](Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958298 180074758 /nfs/dbraw/zinc/07/47/58/180074758.db2.gz NBPRYEUUUSDPQU-PWSUYJOCSA-N 2 2 269.414 2.164 10 0 CEAELP CCO[C@H]1CCC[N@@H+](Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958298 180074761 /nfs/dbraw/zinc/07/47/61/180074761.db2.gz NBPRYEUUUSDPQU-PWSUYJOCSA-N 2 2 269.414 2.164 10 0 CEAELP Cc1nn(CCn2cc[nH+]c2)c(C)c1C[NH2+]CC(C)C ZINC000091002310 180083772 /nfs/dbraw/zinc/08/37/72/180083772.db2.gz SUUCVGYVONUPTL-UHFFFAOYSA-N 2 2 275.400 2.142 10 0 CEAELP CC(C)(C)C1CC[NH+]([C@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323502 180134516 /nfs/dbraw/zinc/13/45/16/180134516.db2.gz RMZCVJCUCJBPHV-HNNXBMFYSA-N 2 2 295.471 2.084 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@H+](CC)Cc1ccccc1 ZINC000091322619 180134665 /nfs/dbraw/zinc/13/46/65/180134665.db2.gz QZQHZOVADYZYAT-MRXNPFEDSA-N 2 2 291.439 2.094 10 0 CEAELP CCN(CC)C(=O)C[C@H](C[NH3+])[N@@H+](CC)Cc1ccccc1 ZINC000091322619 180134667 /nfs/dbraw/zinc/13/46/67/180134667.db2.gz QZQHZOVADYZYAT-MRXNPFEDSA-N 2 2 291.439 2.094 10 0 CEAELP CC[C@H]1CN(Cc2c[nH+]cn2C(C)C)[C@@H](CC)C[NH2+]1 ZINC000091273072 180118165 /nfs/dbraw/zinc/11/81/65/180118165.db2.gz ZDGQZMISRPMLEG-KBPBESRZSA-N 2 2 264.417 2.426 10 0 CEAELP CCCN(CCC)[C@@H](C[NH3+])c1c[nH+]cn1C1CC1 ZINC000091276188 180119235 /nfs/dbraw/zinc/11/92/35/180119235.db2.gz UVEBAUNTBZMDAL-ZDUSSCGKSA-N 2 2 250.390 2.340 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)s1 ZINC000091464601 180163001 /nfs/dbraw/zinc/16/30/01/180163001.db2.gz MHFSOJSAKGVLHN-MLCFOIATSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)s1 ZINC000091464601 180163002 /nfs/dbraw/zinc/16/30/02/180163002.db2.gz MHFSOJSAKGVLHN-MLCFOIATSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@H+](C)CC2CC(O)C2)s1 ZINC000091464607 180163030 /nfs/dbraw/zinc/16/30/30/180163030.db2.gz MHFSOJSAKGVLHN-BBCYWQGDSA-N 2 2 268.426 2.148 10 0 CEAELP Cc1ccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CC2CC(O)C2)s1 ZINC000091464607 180163032 /nfs/dbraw/zinc/16/30/32/180163032.db2.gz MHFSOJSAKGVLHN-BBCYWQGDSA-N 2 2 268.426 2.148 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000091402619 180147382 /nfs/dbraw/zinc/14/73/82/180147382.db2.gz GDPQNNMOHHRMMR-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000091402619 180147383 /nfs/dbraw/zinc/14/73/83/180147383.db2.gz GDPQNNMOHHRMMR-CQSZACIVSA-N 3 2 269.477 2.427 10 0 CEAELP c1ncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000091409059 180148274 /nfs/dbraw/zinc/14/82/74/180148274.db2.gz UARJSTFRQOUNGQ-UHFFFAOYSA-N 2 2 271.364 2.429 10 0 CEAELP C[NH2+][C@H](Cc1cc(C)nn1C)C(C)(C)[NH+]1CCCCC1 ZINC000091564883 180193267 /nfs/dbraw/zinc/19/32/67/180193267.db2.gz LHVWISYDCRMSHZ-OAHLLOKOSA-N 2 2 278.444 2.124 10 0 CEAELP CC[C@@](C)(C(=O)Cc1ccc[nH+]c1N)[NH+]1CCCC1 ZINC000091602127 180203489 /nfs/dbraw/zinc/20/34/89/180203489.db2.gz UEGXTBPHXFNOPN-HNNXBMFYSA-N 2 2 261.369 2.040 10 0 CEAELP CCCn1ncnc1C[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCCC1 ZINC000091609450 180205385 /nfs/dbraw/zinc/20/53/85/180205385.db2.gz RXVOPZPJOPFTKT-GDBMZVCRSA-N 2 2 293.459 2.213 10 0 CEAELP CC[C@](C)([C@H](O)Cc1ccc[nH+]c1N)[NH+]1CCCCC1 ZINC000091608726 180205690 /nfs/dbraw/zinc/20/56/90/180205690.db2.gz HCNYIUUYSZWMMM-GDBMZVCRSA-N 2 2 277.412 2.222 10 0 CEAELP CC[C@@H](C)n1ccc(C[C@@H]([NH2+]C)C(C)(C)[NH+](C)C)n1 ZINC000091528613 180180830 /nfs/dbraw/zinc/18/08/30/180180830.db2.gz CIKQGZPYNGAORK-TZMCWYRMSA-N 2 2 266.433 2.325 10 0 CEAELP CC[C@H](C)n1ccc(C[C@H]([NH2+]C)C(C)(C)[NH+](C)C)n1 ZINC000091528612 180180855 /nfs/dbraw/zinc/18/08/55/180180855.db2.gz CIKQGZPYNGAORK-JSGCOSHPSA-N 2 2 266.433 2.325 10 0 CEAELP CCC(CC)([C@@H](Cc1cc[nH+]c(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635076 180210986 /nfs/dbraw/zinc/21/09/86/180210986.db2.gz FBFIEMZLLWOIPS-OAHLLOKOSA-N 3 2 290.455 2.449 10 0 CEAELP CC[NH2+][C@H](C1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000091646296 180215207 /nfs/dbraw/zinc/21/52/07/180215207.db2.gz AVMIZQRELYJZHG-CQSZACIVSA-N 2 2 252.402 2.020 10 0 CEAELP CC1CCC(C(=O)Cc2cc[nH+]c(N)c2)([NH+](C)C)CC1 ZINC000091648194 180215750 /nfs/dbraw/zinc/21/57/50/180215750.db2.gz FWEOUJLMTGHUMP-UHFFFAOYSA-N 2 2 275.396 2.286 10 0 CEAELP CCC[NH2+][C@@H](Cc1cccc(F)c1F)C[NH+](C)C ZINC000091719896 180234405 /nfs/dbraw/zinc/23/44/05/180234405.db2.gz JOQCNCZGWYYXJR-LBPRGKRZSA-N 2 2 256.340 2.437 10 0 CEAELP CCC[NH2+][C@H](CCc1ccc2c(c1)CCO2)C[NH+](C)C ZINC000091719949 180235113 /nfs/dbraw/zinc/23/51/13/180235113.db2.gz FTYRSWCMYZSNEC-MRXNPFEDSA-N 2 2 276.424 2.484 10 0 CEAELP CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721827 180240336 /nfs/dbraw/zinc/24/03/36/180240336.db2.gz SEKOYYFFPQGRLC-BZUAXINKSA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1cc(F)cc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721827 180240339 /nfs/dbraw/zinc/24/03/39/180240339.db2.gz SEKOYYFFPQGRLC-BZUAXINKSA-N 2 2 296.361 2.479 10 0 CEAELP CC[NH2+][C@H](c1cccc(F)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091721819 180240474 /nfs/dbraw/zinc/24/04/74/180240474.db2.gz PSMAXVSIPCBOCD-BZUAXINKSA-N 2 2 278.371 2.340 10 0 CEAELP CC[NH2+][C@H](c1cccc(F)c1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091721819 180240479 /nfs/dbraw/zinc/24/04/79/180240479.db2.gz PSMAXVSIPCBOCD-BZUAXINKSA-N 2 2 278.371 2.340 10 0 CEAELP CCC[N@H+](C1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000091851620 180272657 /nfs/dbraw/zinc/27/26/57/180272657.db2.gz BUWRKQBKVVQCHK-UHFFFAOYSA-N 3 2 253.434 2.063 10 0 CEAELP CCC[N@@H+](C1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000091851620 180272659 /nfs/dbraw/zinc/27/26/59/180272659.db2.gz BUWRKQBKVVQCHK-UHFFFAOYSA-N 3 2 253.434 2.063 10 0 CEAELP CC(C)n1c[nH+]cc1[C@@H](O)[C@]1(C[NH3+])CC[C@@H](C)C1 ZINC000091926488 180287625 /nfs/dbraw/zinc/28/76/25/180287625.db2.gz LBIOBSVUBVOWGJ-MRVWCRGKSA-N 2 2 251.374 2.263 10 0 CEAELP CCC[NH2+]CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003637 180304395 /nfs/dbraw/zinc/30/43/95/180304395.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH2+]CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000092003637 180304396 /nfs/dbraw/zinc/30/43/96/180304396.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH2+]CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003637 180304398 /nfs/dbraw/zinc/30/43/98/180304398.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP CCC[NH2+]CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003637 180304399 /nfs/dbraw/zinc/30/43/99/180304399.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 3 2 267.461 2.325 10 0 CEAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092082781 180319400 /nfs/dbraw/zinc/31/94/00/180319400.db2.gz YFZMBLBIHFOBHC-LOWVWBTDSA-N 2 2 262.353 2.003 10 0 CEAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2ccc3c(c2)OCO3)C[C@H]1C ZINC000092082781 180319401 /nfs/dbraw/zinc/31/94/01/180319401.db2.gz YFZMBLBIHFOBHC-LOWVWBTDSA-N 2 2 262.353 2.003 10 0 CEAELP COc1ccc([C@H](C[NH3+])[NH2+]Cc2ccccc2)cc1 ZINC000106024119 186098604 /nfs/dbraw/zinc/09/86/04/186098604.db2.gz AHNLTJWNOSZJQD-INIZCTEOSA-N 2 2 256.349 2.485 10 0 CEAELP CCCNc1cccc(CN2CCC[C@H]2C[NH+](C)C)[nH+]1 ZINC000092370288 180369923 /nfs/dbraw/zinc/36/99/23/180369923.db2.gz UEFYOJPRZYPKIB-HNNXBMFYSA-N 2 2 276.428 2.430 10 0 CEAELP c1ccc2sc(C[NH2+]C[C@H]3CCC[NH2+]C3)nc2c1 ZINC000107795658 186191320 /nfs/dbraw/zinc/19/13/20/186191320.db2.gz RTRZYDCDKRHUCJ-NSHDSACASA-N 2 2 261.394 2.386 10 0 CEAELP Cc1cc[nH+]c(NC2CC[NH2+]CC2)c1Br ZINC000235930378 539801317 /nfs/dbraw/zinc/80/13/17/539801317.db2.gz ONYYSVMNBYFSJH-UHFFFAOYSA-N 2 2 270.174 2.316 10 0 CEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccccc2)nc[nH+]1 ZINC000109070093 186242248 /nfs/dbraw/zinc/24/22/48/186242248.db2.gz XKPHJGKSRLYKGI-HNNXBMFYSA-N 2 2 297.406 2.277 10 0 CEAELP CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604564 186268163 /nfs/dbraw/zinc/26/81/63/186268163.db2.gz VJVKVTVTJJGPIX-GJZGRUSLSA-N 2 2 276.380 2.104 10 0 CEAELP CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604564 186268165 /nfs/dbraw/zinc/26/81/65/186268165.db2.gz VJVKVTVTJJGPIX-GJZGRUSLSA-N 2 2 276.380 2.104 10 0 CEAELP CCC[N@H+](CC(=O)OCC)[C@@H](CC[NH3+])c1ccccc1 ZINC000109684929 186268575 /nfs/dbraw/zinc/26/85/75/186268575.db2.gz IIRILCVJHWAWNR-HNNXBMFYSA-N 2 2 278.396 2.352 10 0 CEAELP CCC[N@@H+](CC(=O)OCC)[C@@H](CC[NH3+])c1ccccc1 ZINC000109684929 186268576 /nfs/dbraw/zinc/26/85/76/186268576.db2.gz IIRILCVJHWAWNR-HNNXBMFYSA-N 2 2 278.396 2.352 10 0 CEAELP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110928674 186333741 /nfs/dbraw/zinc/33/37/41/186333741.db2.gz YHSISHPECGDJHK-MRXNPFEDSA-N 2 2 270.380 2.056 10 0 CEAELP C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110928674 186333743 /nfs/dbraw/zinc/33/37/43/186333743.db2.gz YHSISHPECGDJHK-MRXNPFEDSA-N 2 2 270.380 2.056 10 0 CEAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCOCC2)o1 ZINC000111159994 186362158 /nfs/dbraw/zinc/36/21/58/186362158.db2.gz IOLSUZJGISRIEF-CQSZACIVSA-N 2 2 266.385 2.200 10 0 CEAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCOCC2)o1 ZINC000111159994 186362160 /nfs/dbraw/zinc/36/21/60/186362160.db2.gz IOLSUZJGISRIEF-CQSZACIVSA-N 2 2 266.385 2.200 10 0 CEAELP C[N@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157784 186362339 /nfs/dbraw/zinc/36/23/39/186362339.db2.gz FKPUCARVXKKFPH-NHYWBVRUSA-N 2 2 284.350 2.323 10 0 CEAELP C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000111157784 186362340 /nfs/dbraw/zinc/36/23/40/186362340.db2.gz FKPUCARVXKKFPH-NHYWBVRUSA-N 2 2 284.350 2.323 10 0 CEAELP CN(CCC[NH+](C)C)c1c(C[NH3+])c[nH+]c2ccccc21 ZINC000111129274 186356045 /nfs/dbraw/zinc/35/60/45/186356045.db2.gz OMMPJOPBPAVSTI-UHFFFAOYSA-N 3 2 272.396 2.081 10 0 CEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000111146522 186359641 /nfs/dbraw/zinc/35/96/41/186359641.db2.gz ZYGMMHFOOKGSSY-AWEZNQCLSA-N 2 2 262.397 2.389 10 0 CEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000111146522 186359642 /nfs/dbraw/zinc/35/96/42/186359642.db2.gz ZYGMMHFOOKGSSY-AWEZNQCLSA-N 2 2 262.397 2.389 10 0 CEAELP CC(C)C[NH2+]C[C@]1(C[N@@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325778 186398551 /nfs/dbraw/zinc/39/85/51/186398551.db2.gz LFJRSLMDAMYOLT-KRWDZBQOSA-N 2 2 298.471 2.140 10 0 CEAELP CC(C)C[NH2+]C[C@]1(C[N@H+]2CCOC(C)(C)C2)CCCOC1 ZINC000111325778 186398553 /nfs/dbraw/zinc/39/85/53/186398553.db2.gz LFJRSLMDAMYOLT-KRWDZBQOSA-N 2 2 298.471 2.140 10 0 CEAELP CCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2ccc(OC)cc2)[nH+]1 ZINC000070455853 363085090 /nfs/dbraw/zinc/08/50/90/363085090.db2.gz QIFAKJNJKYICRN-ZDUSSCGKSA-N 2 2 298.390 2.252 10 0 CEAELP C[C@@H]1CN(c2cc(C(F)(F)F)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000630572672 351788674 /nfs/dbraw/zinc/78/86/74/351788674.db2.gz RCABBCVHJZGTSB-BDAKNGLRSA-N 2 2 259.275 2.131 10 0 CEAELP CCC[N@@H+]1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952537 540646757 /nfs/dbraw/zinc/64/67/57/540646757.db2.gz AHNDTSKCLBINEH-BBRMVZONSA-N 2 2 297.443 2.199 10 0 CEAELP CCC[N@H+]1CC[C@H]([NH3+])[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000685952537 540646762 /nfs/dbraw/zinc/64/67/62/540646762.db2.gz AHNDTSKCLBINEH-BBRMVZONSA-N 2 2 297.443 2.199 10 0 CEAELP c1ccc(NC[C@H]2CCN(CC[NH+]3CCCCC3)C2)[nH+]c1 ZINC000151103613 366620937 /nfs/dbraw/zinc/62/09/37/366620937.db2.gz RNDJCPOKUDQKCH-MRXNPFEDSA-N 2 2 288.439 2.301 10 0 CEAELP Cn1cccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812921 364110065 /nfs/dbraw/zinc/11/00/65/364110065.db2.gz SPNMEBRKGWHBSV-CQSZACIVSA-N 2 2 270.380 2.354 10 0 CEAELP Cn1cccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812921 364110073 /nfs/dbraw/zinc/11/00/73/364110073.db2.gz SPNMEBRKGWHBSV-CQSZACIVSA-N 2 2 270.380 2.354 10 0 CEAELP CC[NH2+][C@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095091383 364337867 /nfs/dbraw/zinc/33/78/67/364337867.db2.gz NCKSHUQDCDWBCF-IAGOWNOFSA-N 2 2 276.424 2.402 10 0 CEAELP CC[NH2+][C@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095091383 364337868 /nfs/dbraw/zinc/33/78/68/364337868.db2.gz NCKSHUQDCDWBCF-IAGOWNOFSA-N 2 2 276.424 2.402 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000113518341 364903969 /nfs/dbraw/zinc/90/39/69/364903969.db2.gz CMQGGLSHHRXRAK-GOEBONIOSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1ccc2[nH+]c(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000113518341 364903975 /nfs/dbraw/zinc/90/39/75/364903975.db2.gz CMQGGLSHHRXRAK-GOEBONIOSA-N 2 2 284.407 2.311 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843629 367585977 /nfs/dbraw/zinc/58/59/77/367585977.db2.gz QRZYJFMJCHEKDY-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843629 367585984 /nfs/dbraw/zinc/58/59/84/367585984.db2.gz QRZYJFMJCHEKDY-NWDGAFQWSA-N 2 2 295.814 2.114 10 0 CEAELP Cc1[nH+]cc(CN2CC[N@@H+]3CCC[C@H]3C2)n1-c1ccccc1 ZINC000245753643 370870472 /nfs/dbraw/zinc/87/04/72/370870472.db2.gz OHIYQHQKSNGWRO-KRWDZBQOSA-N 2 2 296.418 2.461 10 0 CEAELP Cc1[nH+]cc(CN2CC[N@H+]3CCC[C@H]3C2)n1-c1ccccc1 ZINC000245753643 370870476 /nfs/dbraw/zinc/87/04/76/370870476.db2.gz OHIYQHQKSNGWRO-KRWDZBQOSA-N 2 2 296.418 2.461 10 0 CEAELP CCC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000245764831 370871800 /nfs/dbraw/zinc/87/18/00/370871800.db2.gz JECRMHBTFHISPL-KFWWJZLASA-N 2 2 292.427 2.023 10 0 CEAELP COc1c(C)cnc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000231669120 370485544 /nfs/dbraw/zinc/48/55/44/370485544.db2.gz OMPZZDAUSBBNOD-CQSZACIVSA-N 2 2 277.412 2.281 10 0 CEAELP COc1c(C)cnc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1C ZINC000231669120 370485550 /nfs/dbraw/zinc/48/55/50/370485550.db2.gz OMPZZDAUSBBNOD-CQSZACIVSA-N 2 2 277.412 2.281 10 0 CEAELP COC[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249983714 371374547 /nfs/dbraw/zinc/37/45/47/371374547.db2.gz YVXCKWJKZBNVLI-KGLIPLIRSA-N 2 2 263.385 2.098 10 0 CEAELP COC[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249983714 371374549 /nfs/dbraw/zinc/37/45/49/371374549.db2.gz YVXCKWJKZBNVLI-KGLIPLIRSA-N 2 2 263.385 2.098 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3F)C[C@H]12 ZINC000261604431 371673636 /nfs/dbraw/zinc/67/36/36/371673636.db2.gz RAYGIDXKDIPQQK-IPURGOFSSA-N 2 2 270.298 2.273 10 0 CEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3F)C[C@H]12 ZINC000261604431 371673640 /nfs/dbraw/zinc/67/36/40/371673640.db2.gz RAYGIDXKDIPQQK-IPURGOFSSA-N 2 2 270.298 2.273 10 0 CEAELP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](CC)C(=O)OCC ZINC000261574778 371657309 /nfs/dbraw/zinc/65/73/09/371657309.db2.gz XVAPZIVIBMHUKH-ZIAGYGMSSA-N 2 2 270.417 2.040 10 0 CEAELP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](CC)C(=O)OCC ZINC000261574778 371657311 /nfs/dbraw/zinc/65/73/11/371657311.db2.gz XVAPZIVIBMHUKH-ZIAGYGMSSA-N 2 2 270.417 2.040 10 0 CEAELP C[C@@H]1C[N@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1[NH3+] ZINC000261690686 371703561 /nfs/dbraw/zinc/70/35/61/371703561.db2.gz AWBJUOBOLAYDLW-DOMZBBRYSA-N 2 2 284.363 2.048 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1[NH3+] ZINC000261690686 371703568 /nfs/dbraw/zinc/70/35/68/371703568.db2.gz AWBJUOBOLAYDLW-DOMZBBRYSA-N 2 2 284.363 2.048 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920024 371771024 /nfs/dbraw/zinc/77/10/24/371771024.db2.gz BMOKOTHASADRJT-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1[NH3+] ZINC000261920024 371771032 /nfs/dbraw/zinc/77/10/32/371771032.db2.gz BMOKOTHASADRJT-KSSFIOAISA-N 2 2 297.402 2.440 10 0 CEAELP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000261931331 371775713 /nfs/dbraw/zinc/77/57/13/371775713.db2.gz CTSHTEHSSWAHJB-GWCFXTLKSA-N 2 2 288.313 2.407 10 0 CEAELP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000261931331 371775715 /nfs/dbraw/zinc/77/57/15/371775715.db2.gz CTSHTEHSSWAHJB-GWCFXTLKSA-N 2 2 288.313 2.407 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262048375 371813219 /nfs/dbraw/zinc/81/32/19/371813219.db2.gz QAAUTUQZHOSCGA-YVEFUNNKSA-N 2 2 284.407 2.268 10 0 CEAELP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000262048375 371813229 /nfs/dbraw/zinc/81/32/29/371813229.db2.gz QAAUTUQZHOSCGA-YVEFUNNKSA-N 2 2 284.407 2.268 10 0 CEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000389262490 375301754 /nfs/dbraw/zinc/30/17/54/375301754.db2.gz OZMGVQHFDHRZEI-AWEZNQCLSA-N 2 2 271.364 2.124 10 0 CEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000389262490 375301758 /nfs/dbraw/zinc/30/17/58/375301758.db2.gz OZMGVQHFDHRZEI-AWEZNQCLSA-N 2 2 271.364 2.124 10 0 CEAELP Cn1c2ccccc2[nH+]c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312855197 249375896 /nfs/dbraw/zinc/37/58/96/249375896.db2.gz QZVMJSHBUFZVOF-BETUJISGSA-N 2 2 270.380 2.009 10 0 CEAELP CCCn1cc[nH+]c1C[C@H](Cc1csc(C)n1)[NH2+]C ZINC000094159598 184757957 /nfs/dbraw/zinc/75/79/57/184757957.db2.gz MZQLKUIABATHCW-LBPRGKRZSA-N 2 2 278.425 2.431 10 0 CEAELP CCCn1cc[nH+]c1C[C@@H](N)C(CC)(CC)[NH+](C)C ZINC000094163415 184758409 /nfs/dbraw/zinc/75/84/09/184758409.db2.gz MHZKUNZWVQFELT-CYBMUJFWSA-N 2 2 266.433 2.283 10 0 CEAELP Brc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000095092427 184942243 /nfs/dbraw/zinc/94/22/43/184942243.db2.gz SGDXBXRCLJVSPG-NSHDSACASA-N 2 2 284.201 2.076 10 0 CEAELP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040431805 134859188 /nfs/dbraw/zinc/85/91/88/134859188.db2.gz ZJNLNLUFZLDFOX-CVEARBPZSA-N 2 2 259.397 2.079 10 0 CEAELP [NH3+]Cc1c[nH+]c2ccccc2c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000090905332 135065954 /nfs/dbraw/zinc/06/59/54/135065954.db2.gz FXHQIMBCQSGEPW-BETUJISGSA-N 2 2 269.348 2.061 10 0 CEAELP C[NH2+]C[C@H](C)[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000093068230 135078824 /nfs/dbraw/zinc/07/88/24/135078824.db2.gz SRKDKXJZAJULRI-UONOGXRCSA-N 2 2 279.403 2.192 10 0 CEAELP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1[nH+]ccn1C ZINC000070443586 394587143 /nfs/dbraw/zinc/58/71/43/394587143.db2.gz XAKWXXGSUXGNHE-DZGCQCFKSA-N 2 2 272.396 2.374 10 0 CEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000151325788 394976375 /nfs/dbraw/zinc/97/63/75/394976375.db2.gz VLCAVSGWBWPFQG-XJKSGUPXSA-N 2 2 280.387 2.323 10 0 CEAELP CC(C)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352451 401492119 /nfs/dbraw/zinc/49/21/19/401492119.db2.gz ZVVJLKPQWKVCOJ-ZFWWWQNUSA-N 2 2 262.401 2.025 10 0 CEAELP CC(C)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352451 401492124 /nfs/dbraw/zinc/49/21/24/401492124.db2.gz ZVVJLKPQWKVCOJ-ZFWWWQNUSA-N 2 2 262.401 2.025 10 0 CEAELP COc1cc2c(cc1F)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261943848 286256069 /nfs/dbraw/zinc/25/60/69/286256069.db2.gz NAHNBXFWHOXFCN-GFCCVEGCSA-N 2 2 278.371 2.192 10 0 CEAELP COc1cc2c(cc1F)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261943848 286256070 /nfs/dbraw/zinc/25/60/70/286256070.db2.gz NAHNBXFWHOXFCN-GFCCVEGCSA-N 2 2 278.371 2.192 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCCO1 ZINC000189509881 153097348 /nfs/dbraw/zinc/09/73/48/153097348.db2.gz PBBDUOSVVHRZRY-CABCVRRESA-N 2 2 263.385 2.225 10 0 CEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000189509881 153097350 /nfs/dbraw/zinc/09/73/50/153097350.db2.gz PBBDUOSVVHRZRY-CABCVRRESA-N 2 2 263.385 2.225 10 0 CEAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000334832556 154235577 /nfs/dbraw/zinc/23/55/77/154235577.db2.gz DTEZSXAVCLMXIJ-JOYOIKCWSA-N 2 2 284.201 2.074 10 0 CEAELP CCn1ccnc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178309864 165234172 /nfs/dbraw/zinc/23/41/72/165234172.db2.gz JTCJQYNCEWXKNJ-AWEZNQCLSA-N 2 2 273.384 2.073 10 0 CEAELP CCn1ccnc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178309864 165234180 /nfs/dbraw/zinc/23/41/80/165234180.db2.gz JTCJQYNCEWXKNJ-AWEZNQCLSA-N 2 2 273.384 2.073 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174483 173008584 /nfs/dbraw/zinc/00/85/84/173008584.db2.gz MKPHPVJRMAGFOC-KGLIPLIRSA-N 2 2 250.411 2.432 10 0 CEAELP Cc1ccc([C@H](C[NH3+])[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000037174483 173008586 /nfs/dbraw/zinc/00/85/86/173008586.db2.gz MKPHPVJRMAGFOC-KGLIPLIRSA-N 2 2 250.411 2.432 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@H+](CC)C2)CC1 ZINC000040502625 174299089 /nfs/dbraw/zinc/29/90/89/174299089.db2.gz BXBIIJNMQPNCCI-ZBFHGGJFSA-N 3 2 267.461 2.181 10 0 CEAELP CC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000040502625 174299090 /nfs/dbraw/zinc/29/90/90/174299090.db2.gz BXBIIJNMQPNCCI-ZBFHGGJFSA-N 3 2 267.461 2.181 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000040599972 174350105 /nfs/dbraw/zinc/35/01/05/174350105.db2.gz MGIVFYPCZGWWON-LBPRGKRZSA-N 2 2 266.360 2.266 10 0 CEAELP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2OC)C1 ZINC000040599972 174350107 /nfs/dbraw/zinc/35/01/07/174350107.db2.gz MGIVFYPCZGWWON-LBPRGKRZSA-N 2 2 266.360 2.266 10 0 CEAELP CC[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc(O)cc1 ZINC000040638734 174362910 /nfs/dbraw/zinc/36/29/10/174362910.db2.gz ADQVDZZJDQONMR-AWEZNQCLSA-N 2 2 259.353 2.409 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040672699 174370965 /nfs/dbraw/zinc/37/09/65/174370965.db2.gz ZTKSVXOGDTWRAN-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040672699 174370967 /nfs/dbraw/zinc/37/09/67/174370967.db2.gz ZTKSVXOGDTWRAN-GDBMZVCRSA-N 3 2 267.461 2.181 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)cc1 ZINC000311453121 414860093 /nfs/dbraw/zinc/86/00/93/414860093.db2.gz JTNLBAZRFNFZHG-XJKSGUPXSA-N 2 2 264.413 2.212 10 0 CEAELP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)cc1 ZINC000311453121 414860096 /nfs/dbraw/zinc/86/00/96/414860096.db2.gz JTNLBAZRFNFZHG-XJKSGUPXSA-N 2 2 264.413 2.212 10 0 CEAELP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043324919 175006899 /nfs/dbraw/zinc/00/68/99/175006899.db2.gz OIDVDUPVWWVPLT-KRWDZBQOSA-N 3 2 275.440 2.370 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCCOC)CCOC ZINC000043335996 175011703 /nfs/dbraw/zinc/01/17/03/175011703.db2.gz KTSAHNWWLKCUCD-HIFRSBDPSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCCOC)CCOC ZINC000043335996 175011704 /nfs/dbraw/zinc/01/17/04/175011704.db2.gz KTSAHNWWLKCUCD-HIFRSBDPSA-N 2 2 284.400 2.043 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@H+](CCCO)C(C)C ZINC000043336111 175011859 /nfs/dbraw/zinc/01/18/59/175011859.db2.gz RTISPVHELKDXFI-JSGCOSHPSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1ccco1)[N@@H+](CCCO)C(C)C ZINC000043336111 175011860 /nfs/dbraw/zinc/01/18/60/175011860.db2.gz RTISPVHELKDXFI-JSGCOSHPSA-N 2 2 254.374 2.151 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@H+](C)[C@@H]1CCSC1 ZINC000043346274 175017350 /nfs/dbraw/zinc/01/73/50/175017350.db2.gz MNAQZUJGKLHILI-HZSPNIEDSA-N 2 2 265.426 2.297 10 0 CEAELP CC[C@H]([NH3+])[C@@H](c1cccnc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000043346274 175017351 /nfs/dbraw/zinc/01/73/51/175017351.db2.gz MNAQZUJGKLHILI-HZSPNIEDSA-N 2 2 265.426 2.297 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CCCC2)o1 ZINC000043365200 175026575 /nfs/dbraw/zinc/02/65/75/175026575.db2.gz JREATOBTYMGGAC-IUODEOHRSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CCCC2)o1 ZINC000043365200 175026576 /nfs/dbraw/zinc/02/65/76/175026576.db2.gz JREATOBTYMGGAC-IUODEOHRSA-N 2 2 266.385 2.213 10 0 CEAELP Cc1ccc(C(N)=S)c(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000043396275 175036045 /nfs/dbraw/zinc/03/60/45/175036045.db2.gz OOASFLIFPKLOTK-UHFFFAOYSA-N 2 2 280.441 2.024 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@H+](C)C(CC)CC)OCCO2 ZINC000043896077 175119597 /nfs/dbraw/zinc/11/95/97/175119597.db2.gz BQTSUYDRHUTOJP-GJZGRUSLSA-N 2 2 284.444 2.381 10 0 CEAELP CC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+](C)C(CC)CC)OCCO2 ZINC000043896077 175119598 /nfs/dbraw/zinc/11/95/98/175119598.db2.gz BQTSUYDRHUTOJP-GJZGRUSLSA-N 2 2 284.444 2.381 10 0 CEAELP CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH+](CCOC)CCOC ZINC000043912895 175124625 /nfs/dbraw/zinc/12/46/25/175124625.db2.gz HMEYUYYFRXHLSC-CVEARBPZSA-N 2 2 286.460 2.282 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C1CCC(C)CC1 ZINC000043967027 175128061 /nfs/dbraw/zinc/12/80/61/175128061.db2.gz NYXKTMKOGSFVRR-CVSAEHQPSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C1CCC(C)CC1 ZINC000043967027 175128062 /nfs/dbraw/zinc/12/80/62/175128062.db2.gz NYXKTMKOGSFVRR-CVSAEHQPSA-N 2 2 254.418 2.264 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@H+](CCOC)C1CC1 ZINC000043969892 175131294 /nfs/dbraw/zinc/13/12/94/175131294.db2.gz AZZRDQSOUYUTTF-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CC[NH2+][C@@H]1CCCCC[C@@H]1[N@@H+](CCOC)C1CC1 ZINC000043969892 175131295 /nfs/dbraw/zinc/13/12/95/175131295.db2.gz AZZRDQSOUYUTTF-CABCVRRESA-N 2 2 254.418 2.408 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C)CC2)c1C ZINC000045169631 175320519 /nfs/dbraw/zinc/32/05/19/175320519.db2.gz WIFYXWDTMOIFDP-NSHDSACASA-N 2 2 264.417 2.265 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367785 175362985 /nfs/dbraw/zinc/36/29/85/175362985.db2.gz ZUDKPRQUGGCYQW-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP CC[NH2+][C@@](C)(CCCC[N@H+]1CCC[C@@H]1C)C(=O)OC ZINC000045367785 175362986 /nfs/dbraw/zinc/36/29/86/175362986.db2.gz ZUDKPRQUGGCYQW-ZFWWWQNUSA-N 2 2 270.417 2.182 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373308 175364791 /nfs/dbraw/zinc/36/47/91/175364791.db2.gz UYNCAPTZYBQCLD-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP C[NH2+][C@@](C)(CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC ZINC000045373308 175364792 /nfs/dbraw/zinc/36/47/92/175364792.db2.gz UYNCAPTZYBQCLD-LZWOXQAQSA-N 2 2 284.444 2.286 10 0 CEAELP CC[NH+](CC)CCCC[C@@](C)([NH2+]C1CC1)C(=O)OC ZINC000045375875 175366296 /nfs/dbraw/zinc/36/62/96/175366296.db2.gz VCMVRKKAFBGCAK-OAHLLOKOSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382419 175371092 /nfs/dbraw/zinc/37/10/92/175371092.db2.gz FNMKFMPTYKTNAX-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CCC[N@@H+](C)CCC[C@](C)([NH2+]C1CC1)C(=O)OCC ZINC000045382419 175371093 /nfs/dbraw/zinc/37/10/93/175371093.db2.gz FNMKFMPTYKTNAX-HNNXBMFYSA-N 2 2 270.417 2.182 10 0 CEAELP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383897 175371410 /nfs/dbraw/zinc/37/14/10/175371410.db2.gz BVXBDLCJPCMXKA-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP CC[N@@H+](CCC[C@](C)([NH2+]C1CC1)C(=O)OC)C(C)C ZINC000045383897 175371411 /nfs/dbraw/zinc/37/14/11/175371411.db2.gz BVXBDLCJPCMXKA-HNNXBMFYSA-N 2 2 270.417 2.181 10 0 CEAELP COC(=O)[C@](C)(CCC[N@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384944 175372134 /nfs/dbraw/zinc/37/21/34/175372134.db2.gz LZRXQTOHQFJYQH-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP COC(=O)[C@](C)(CCC[N@@H+](C)C1CCCC1)[NH2+]C1CC1 ZINC000045384944 175372135 /nfs/dbraw/zinc/37/21/35/175372135.db2.gz LZRXQTOHQFJYQH-INIZCTEOSA-N 2 2 282.428 2.325 10 0 CEAELP CC[NH2+]CC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191453 176069166 /nfs/dbraw/zinc/06/91/66/176069166.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000071191453 176069169 /nfs/dbraw/zinc/06/91/69/176069169.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191453 176069170 /nfs/dbraw/zinc/06/91/70/176069170.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 3 2 281.488 2.430 10 0 CEAELP CC[NH2+]CC1(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000071191453 176069172 /nfs/dbraw/zinc/06/91/72/176069172.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 3 2 281.488 2.430 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191398 176070105 /nfs/dbraw/zinc/07/01/05/176070105.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191398 176070106 /nfs/dbraw/zinc/07/01/06/176070106.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191398 176070107 /nfs/dbraw/zinc/07/01/07/176070107.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191398 176070108 /nfs/dbraw/zinc/07/01/08/176070108.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 3 2 281.488 2.428 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191894 176072522 /nfs/dbraw/zinc/07/25/22/176072522.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1occc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191894 176072523 /nfs/dbraw/zinc/07/25/23/176072523.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191894 176072524 /nfs/dbraw/zinc/07/25/24/176072524.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP CCC[NH2+]Cc1occc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191894 176072525 /nfs/dbraw/zinc/07/25/25/176072525.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 3 2 279.428 2.163 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192075 176073555 /nfs/dbraw/zinc/07/35/55/176073555.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192075 176073557 /nfs/dbraw/zinc/07/35/57/176073557.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071192075 176073559 /nfs/dbraw/zinc/07/35/59/176073559.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP Cc1oc(C[NH2+]C(C)C)cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071192075 176073561 /nfs/dbraw/zinc/07/35/61/176073561.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 3 2 293.455 2.470 10 0 CEAELP C[NH2+][C@H](C)c1ccc(NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000071274497 176106397 /nfs/dbraw/zinc/10/63/97/176106397.db2.gz MNYCYYGKQGHZMJ-LLVKDONJSA-N 2 2 287.367 2.022 10 0 CEAELP CCCc1[nH+]c2cc(N)ccc2n1Cc1[nH+]ccn1C ZINC000071275909 176106600 /nfs/dbraw/zinc/10/66/00/176106600.db2.gz AIWYNJXPGUORRG-UHFFFAOYSA-N 2 2 269.352 2.353 10 0 CEAELP CCOC(=O)CCCCC[NH2+]CC[NH+](CC)CC ZINC000071293065 176111057 /nfs/dbraw/zinc/11/10/57/176111057.db2.gz GDGTWKRLIRKYIS-UHFFFAOYSA-N 2 2 258.406 2.041 10 0 CEAELP CC[N@H+]([C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000071311915 176118764 /nfs/dbraw/zinc/11/87/64/176118764.db2.gz XUJILWDAOCIMMC-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP CC[N@@H+]([C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000071311915 176118766 /nfs/dbraw/zinc/11/87/66/176118766.db2.gz XUJILWDAOCIMMC-GXTWGEPZSA-N 2 2 276.380 2.203 10 0 CEAELP CC1(C)CN(Cc2cn3ccccc3[nH+]2)[C@@H](C2CC2)C[NH2+]1 ZINC000071342825 176130522 /nfs/dbraw/zinc/13/05/22/176130522.db2.gz XPDSURXSRHKQIM-OAHLLOKOSA-N 2 2 284.407 2.297 10 0 CEAELP CCC1(CC)C[NH2+]C(C)(C)CN1CCn1cc[nH+]c1C ZINC000071343193 176131143 /nfs/dbraw/zinc/13/11/43/176131143.db2.gz ZZNCLSWZBIOHLT-UHFFFAOYSA-N 2 2 278.444 2.434 10 0 CEAELP CCC1(CC)CNC(C)(C)C[N@@H+]1CCn1cc[nH+]c1C ZINC000071343193 176131145 /nfs/dbraw/zinc/13/11/45/176131145.db2.gz ZZNCLSWZBIOHLT-UHFFFAOYSA-N 2 2 278.444 2.434 10 0 CEAELP CCC1(CC)CNC(C)(C)C[N@H+]1CCn1cc[nH+]c1C ZINC000071343193 176131146 /nfs/dbraw/zinc/13/11/46/176131146.db2.gz ZZNCLSWZBIOHLT-UHFFFAOYSA-N 2 2 278.444 2.434 10 0 CEAELP CCOc1ccc(C[C@H]([NH3+])C[NH+]2CCCCC2)cc1 ZINC000071589196 176217449 /nfs/dbraw/zinc/21/74/49/176217449.db2.gz RIPZXHSYLAICNV-HNNXBMFYSA-N 2 2 262.397 2.441 10 0 CEAELP C[NH2+]CC[N@H+](C)CCc1ccc(Br)cc1 ZINC000076409603 177020054 /nfs/dbraw/zinc/02/00/54/177020054.db2.gz IOKWICLTWPIVID-UHFFFAOYSA-N 2 2 271.202 2.143 10 0 CEAELP C[NH2+]CC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000076409603 177020055 /nfs/dbraw/zinc/02/00/55/177020055.db2.gz IOKWICLTWPIVID-UHFFFAOYSA-N 2 2 271.202 2.143 10 0 CEAELP Fc1cccc(Br)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398367430 270358111 /nfs/dbraw/zinc/35/81/11/270358111.db2.gz PSBWJNXQJDGDAY-SECBINFHSA-N 2 2 287.176 2.287 10 0 CEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252952303 279369877 /nfs/dbraw/zinc/36/98/77/279369877.db2.gz FRHULJJSKDUWIR-FVCCEPFGSA-N 2 2 294.361 2.464 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1C ZINC000154616732 280093046 /nfs/dbraw/zinc/09/30/46/280093046.db2.gz WMLPPNAYBXHVSK-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1C ZINC000154616732 280093049 /nfs/dbraw/zinc/09/30/49/280093049.db2.gz WMLPPNAYBXHVSK-FZMZJTMJSA-N 2 2 264.417 2.265 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000249457102 280398037 /nfs/dbraw/zinc/39/80/37/280398037.db2.gz DQLDDAHMVPQZLN-KBPBESRZSA-N 2 2 265.401 2.365 10 0 CEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000249457102 280398039 /nfs/dbraw/zinc/39/80/39/280398039.db2.gz DQLDDAHMVPQZLN-KBPBESRZSA-N 2 2 265.401 2.365 10 0 CEAELP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417721 519722043 /nfs/dbraw/zinc/72/20/43/519722043.db2.gz BKKNAIBOFXEVRN-CYBMUJFWSA-N 2 2 282.457 2.042 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cscn2)O1 ZINC000052503882 519725126 /nfs/dbraw/zinc/72/51/26/519725126.db2.gz WQNRZYWCKCSSHS-KGLIPLIRSA-N 2 2 283.441 2.121 10 0 CEAELP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2cscn2)O1 ZINC000052503882 519725127 /nfs/dbraw/zinc/72/51/27/519725127.db2.gz WQNRZYWCKCSSHS-KGLIPLIRSA-N 2 2 283.441 2.121 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380288 519958147 /nfs/dbraw/zinc/95/81/47/519958147.db2.gz OFSFYJHELDVIDD-BETUJISGSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+]Cc1ccoc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380288 519958158 /nfs/dbraw/zinc/95/81/58/519958158.db2.gz OFSFYJHELDVIDD-BETUJISGSA-N 2 2 266.385 2.388 10 0 CEAELP CCC[NH2+][C@@H](C)C[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000068654901 519986990 /nfs/dbraw/zinc/98/69/90/519986990.db2.gz FKNBDVLFQLEQMA-QWHCGFSZSA-N 2 2 295.393 2.333 10 0 CEAELP CC[NH2+]Cc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)o1 ZINC000052380843 519991912 /nfs/dbraw/zinc/99/19/12/519991912.db2.gz RUHACQAGJRSBLR-VXGBXAGGSA-N 2 2 266.385 2.307 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC[C@H]2CC)oc1C ZINC000052481441 519991984 /nfs/dbraw/zinc/99/19/84/519991984.db2.gz ALPIGCHCTDEPCF-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC[C@H]2CC)oc1C ZINC000052481441 519991988 /nfs/dbraw/zinc/99/19/88/519991988.db2.gz ALPIGCHCTDEPCF-CQSZACIVSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+][C@](C)(CCC[NH+]1CCC(C)(C)CC1)C(=O)OC ZINC000061821843 520227003 /nfs/dbraw/zinc/22/70/03/520227003.db2.gz QDTHLQXAOXLVEZ-MRXNPFEDSA-N 2 2 284.444 2.430 10 0 CEAELP CCCC[C@H](CC)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068804743 521179145 /nfs/dbraw/zinc/17/91/45/521179145.db2.gz YSFLOOPAIOSRPS-GJZGRUSLSA-N 2 2 255.450 2.038 10 0 CEAELP CCCC[C@H](CC)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068804743 521179147 /nfs/dbraw/zinc/17/91/47/521179147.db2.gz YSFLOOPAIOSRPS-GJZGRUSLSA-N 2 2 255.450 2.038 10 0 CEAELP CCOC1CC[NH+]([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052484116 521656862 /nfs/dbraw/zinc/65/68/62/521656862.db2.gz SMHURLUOTODCGQ-MRXNPFEDSA-N 2 2 262.397 2.448 10 0 CEAELP CC(C)(C)[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000068696001 518945776 /nfs/dbraw/zinc/94/57/76/518945776.db2.gz FKXMGDIKGTZYNQ-AWEZNQCLSA-N 2 2 272.396 2.154 10 0 CEAELP CC(C)C[C@H]1CSC(N[C@@H](C)Cn2cc[nH+]c2)=[NH+]1 ZINC000049236458 519417493 /nfs/dbraw/zinc/41/74/93/519417493.db2.gz XKKDHVLQMVYBJN-RYUDHWBXSA-N 2 2 266.414 2.379 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000061148369 519909556 /nfs/dbraw/zinc/90/95/56/519909556.db2.gz ZADNNYNDEDBUNE-AVOUXACISA-N 2 2 252.402 2.018 10 0 CEAELP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC000061148369 519909560 /nfs/dbraw/zinc/90/95/60/519909560.db2.gz ZADNNYNDEDBUNE-AVOUXACISA-N 2 2 252.402 2.018 10 0 CEAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418226 519928466 /nfs/dbraw/zinc/92/84/66/519928466.db2.gz HWCGAHZSXXOAMG-AWEZNQCLSA-N 2 2 279.403 2.336 10 0 CEAELP CC[NH2+]Cc1cc(C[N@H+]2CCOC[C@@H]2CC)c(C)o1 ZINC000052481630 519990901 /nfs/dbraw/zinc/99/09/01/519990901.db2.gz DHQPUXVYUPGRCO-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+]Cc1cc(C[N@@H+]2CCOC[C@@H]2CC)c(C)o1 ZINC000052481630 519990896 /nfs/dbraw/zinc/99/08/96/519990896.db2.gz DHQPUXVYUPGRCO-AWEZNQCLSA-N 2 2 266.385 2.308 10 0 CEAELP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCOCC1 ZINC000054559497 520122326 /nfs/dbraw/zinc/12/23/26/520122326.db2.gz RUEXHHCBHRUWJQ-ARFHVFGLSA-N 2 2 268.445 2.369 10 0 CEAELP CCO[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000062739947 520517760 /nfs/dbraw/zinc/51/77/60/520517760.db2.gz QUNJEDDUNBSZNM-NWDGAFQWSA-N 2 2 254.349 2.182 10 0 CEAELP CCO[C@H](C[NH3+])C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062739947 520517755 /nfs/dbraw/zinc/51/77/55/520517755.db2.gz QUNJEDDUNBSZNM-NWDGAFQWSA-N 2 2 254.349 2.182 10 0 CEAELP CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccs1 ZINC000049543908 521159879 /nfs/dbraw/zinc/15/98/79/521159879.db2.gz QUKXCUGIVOGKCJ-NEPJUHHUSA-N 2 2 256.415 2.101 10 0 CEAELP CCOC(=O)[C@](C)(C[C@@H](C)n1cc[nH+]c1C(C)C)[NH2+]C ZINC000068648697 521324289 /nfs/dbraw/zinc/32/42/89/521324289.db2.gz XLWGVIQPVPVFCX-DOMZBBRYSA-N 2 2 281.400 2.499 10 0 CEAELP CCOC(=O)[C@](C)(C[C@@H](C)n1cc[nH+]c1C)[NH2+]C1CC1 ZINC000068648820 521325752 /nfs/dbraw/zinc/32/57/52/521325752.db2.gz ZSOFHBOIEMYWER-ABAIWWIYSA-N 2 2 279.384 2.216 10 0 CEAELP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150109 521626769 /nfs/dbraw/zinc/62/67/69/521626769.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 3 2 267.461 2.181 10 0 CEAELP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150109 521626771 /nfs/dbraw/zinc/62/67/71/521626771.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 3 2 267.461 2.181 10 0 CEAELP CCC[N@H+](Cc1cnn(CC)c1)[C@@](C)(CC)C[NH3+] ZINC000050539289 521691864 /nfs/dbraw/zinc/69/18/64/521691864.db2.gz NPQHINLJAHDMBR-AWEZNQCLSA-N 2 2 252.406 2.242 10 0 CEAELP CCC[N@@H+](Cc1cnn(CC)c1)[C@@](C)(CC)C[NH3+] ZINC000050539289 521691865 /nfs/dbraw/zinc/69/18/65/521691865.db2.gz NPQHINLJAHDMBR-AWEZNQCLSA-N 2 2 252.406 2.242 10 0 CEAELP COc1c(C)c[nH+]c(C[C@H]([NH3+])c2ccccn2)c1C ZINC000053817010 521814036 /nfs/dbraw/zinc/81/40/36/521814036.db2.gz WQDKSKUXWWGTDI-LBPRGKRZSA-N 2 2 257.337 2.345 10 0 CEAELP COCC[C@H]([NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000052810888 521950697 /nfs/dbraw/zinc/95/06/97/521950697.db2.gz OATUFJNWTLEVIF-LBPRGKRZSA-N 2 2 256.415 2.322 10 0 CEAELP COCC[C@H]([NH3+])C[N@@H+](Cc1cccs1)C(C)C ZINC000052810888 521950703 /nfs/dbraw/zinc/95/07/03/521950703.db2.gz OATUFJNWTLEVIF-LBPRGKRZSA-N 2 2 256.415 2.322 10 0 CEAELP CC[C@@H](C[NH2+]CC(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515240 522547816 /nfs/dbraw/zinc/54/78/16/522547816.db2.gz PETXEGOVBAJIKY-INIZCTEOSA-N 3 2 269.477 2.284 10 0 CEAELP C[N@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589978 523312947 /nfs/dbraw/zinc/31/29/47/523312947.db2.gz VHUDCQVKTMYVNO-CQSZACIVSA-N 2 2 268.401 2.482 10 0 CEAELP C[N@@H+](Cc1cccc(F)c1)[C@@]1(C[NH3+])CCCSC1 ZINC000061589978 523312960 /nfs/dbraw/zinc/31/29/60/523312960.db2.gz VHUDCQVKTMYVNO-CQSZACIVSA-N 2 2 268.401 2.482 10 0 CEAELP CC[C@H]1COCC[N@@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181965 523332742 /nfs/dbraw/zinc/33/27/42/523332742.db2.gz XHRXNGABIKZCSC-HNNXBMFYSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@H]1COCC[N@H+]1CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052181965 523332748 /nfs/dbraw/zinc/33/27/48/523332748.db2.gz XHRXNGABIKZCSC-HNNXBMFYSA-N 2 2 298.471 2.282 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052571010 523350808 /nfs/dbraw/zinc/35/08/08/523350808.db2.gz XLOYIBXKUTXWPD-HIFRSBDPSA-N 2 2 295.427 2.420 10 0 CEAELP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052571010 523350815 /nfs/dbraw/zinc/35/08/15/523350815.db2.gz XLOYIBXKUTXWPD-HIFRSBDPSA-N 2 2 295.427 2.420 10 0 CEAELP COC(=O)[C@](C)(C[C@@H](C)n1c[nH+]c(C)c1C)[NH2+]C1CC1 ZINC000068650081 523999987 /nfs/dbraw/zinc/99/99/87/523999987.db2.gz NDKWHIGIJVYJRG-BMIGLBTASA-N 2 2 279.384 2.135 10 0 CEAELP C[NH+](C)C1CC[NH+]([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022913 524041216 /nfs/dbraw/zinc/04/12/16/524041216.db2.gz NMDFVJSJEXHSMH-OAHLLOKOSA-N 3 2 274.412 2.080 10 0 CEAELP C[C@H](CC[NH+](C)C)N[C@H](c1ccco1)c1[nH+]ccn1C ZINC000049554135 524170225 /nfs/dbraw/zinc/17/02/25/524170225.db2.gz BZHSQFQADJEEBM-TZMCWYRMSA-N 2 2 276.384 2.032 10 0 CEAELP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(C)n1C ZINC000052790533 524756768 /nfs/dbraw/zinc/75/67/68/524756768.db2.gz IZYSNVSKKJVQGQ-UHFFFAOYSA-N 2 2 260.385 2.408 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@@H+]1CCC[C@@H]1CCCO ZINC000052757506 524854554 /nfs/dbraw/zinc/85/45/54/524854554.db2.gz IZWHFTXTYRQDBI-OUCADQQQSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@H]([NH3+])[C@H](c1cccs1)[N@H+]1CCC[C@@H]1CCCO ZINC000052757506 524854556 /nfs/dbraw/zinc/85/45/56/524854556.db2.gz IZWHFTXTYRQDBI-OUCADQQQSA-N 2 2 268.426 2.373 10 0 CEAELP C[C@@H]1C[N@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCO1 ZINC000052382593 524984783 /nfs/dbraw/zinc/98/47/83/524984783.db2.gz ONHIKQSARUFERI-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH2+]C(C)(C)C)co2)CCO1 ZINC000052382593 524984792 /nfs/dbraw/zinc/98/47/92/524984792.db2.gz ONHIKQSARUFERI-GFCCVEGCSA-N 2 2 266.385 2.388 10 0 CEAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380299 525039004 /nfs/dbraw/zinc/03/90/04/525039004.db2.gz FYLVBQBNVGXILB-TXEJJXNPSA-N 2 2 264.369 2.141 10 0 CEAELP C[C@@H]1C[N@H+](Cc2occc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000052380299 525039009 /nfs/dbraw/zinc/03/90/09/525039009.db2.gz FYLVBQBNVGXILB-TXEJJXNPSA-N 2 2 264.369 2.141 10 0 CEAELP Cc1ccccc1C[N@@H+](C)Cc1ccc[nH+]c1NN ZINC000052721470 525128892 /nfs/dbraw/zinc/12/88/92/525128892.db2.gz SKXJFOXXYFLMLL-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP Cc1ccccc1C[N@H+](C)Cc1ccc[nH+]c1NN ZINC000052721470 525128898 /nfs/dbraw/zinc/12/88/98/525128898.db2.gz SKXJFOXXYFLMLL-UHFFFAOYSA-N 2 2 256.353 2.308 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@H+](C)C2CCOCC2)cc1C ZINC000050596695 525351074 /nfs/dbraw/zinc/35/10/74/525351074.db2.gz OJAYQSORYAOAIS-HNNXBMFYSA-N 2 2 278.396 2.114 10 0 CEAELP COc1ccc([C@H](C[NH3+])[N@@H+](C)C2CCOCC2)cc1C ZINC000050596695 525351080 /nfs/dbraw/zinc/35/10/80/525351080.db2.gz OJAYQSORYAOAIS-HNNXBMFYSA-N 2 2 278.396 2.114 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068630049 525647021 /nfs/dbraw/zinc/64/70/21/525647021.db2.gz XTKVHMHPSHCBLD-UXLLHSPISA-N 3 2 281.488 2.414 10 0 CEAELP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068630049 525647028 /nfs/dbraw/zinc/64/70/28/525647028.db2.gz XTKVHMHPSHCBLD-UXLLHSPISA-N 3 2 281.488 2.414 10 0 CEAELP Cc1ccc2c(c1)CCCN2CC[N@@H+]1CCC[NH2+]CC1 ZINC000061274955 526145236 /nfs/dbraw/zinc/14/52/36/526145236.db2.gz NUTYHQXQWSEQOO-UHFFFAOYSA-N 2 2 273.424 2.043 10 0 CEAELP Cc1ccc2c(c1)CCCN2CC[N@H+]1CCC[NH2+]CC1 ZINC000061274955 526145246 /nfs/dbraw/zinc/14/52/46/526145246.db2.gz NUTYHQXQWSEQOO-UHFFFAOYSA-N 2 2 273.424 2.043 10 0 CEAELP NC(=[NH2+])c1ncccc1Cn1cc[nH+]c1-c1ccccc1 ZINC000061658460 526825035 /nfs/dbraw/zinc/82/50/35/526825035.db2.gz BVCGQVVHFDOXLF-UHFFFAOYSA-N 2 2 277.331 2.277 10 0 CEAELP COc1ccc(C[C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313288559 536526148 /nfs/dbraw/zinc/52/61/48/536526148.db2.gz YZTPWHDCENKINH-ZDUSSCGKSA-N 2 2 273.380 2.192 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272424 567925141 /nfs/dbraw/zinc/92/51/41/567925141.db2.gz QAVQCCDLVNFZQS-PWSUYJOCSA-N 2 2 296.440 2.051 10 0 CEAELP CCCC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272424 567925142 /nfs/dbraw/zinc/92/51/42/567925142.db2.gz QAVQCCDLVNFZQS-PWSUYJOCSA-N 2 2 296.440 2.051 10 0 CEAELP CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000261745788 623443399 /nfs/dbraw/zinc/44/33/99/623443399.db2.gz BTPAAVZXWYOHKT-LLVKDONJSA-N 2 2 290.333 2.393 10 0 CEAELP CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CCC[NH2+]CC1 ZINC000261745788 623443403 /nfs/dbraw/zinc/44/34/03/623443403.db2.gz BTPAAVZXWYOHKT-LLVKDONJSA-N 2 2 290.333 2.393 10 0 CEAELP CC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccs1 ZINC000399025846 628769948 /nfs/dbraw/zinc/76/99/48/628769948.db2.gz HILQVQMIBLCWCW-CYBMUJFWSA-N 2 2 268.426 2.246 10 0 CEAELP COc1ccc[nH+]c1NCc1ccc(CC[NH3+])cc1 ZINC000128330213 651419732 /nfs/dbraw/zinc/41/97/32/651419732.db2.gz DZMCIYYEJZSVPN-UHFFFAOYSA-N 2 2 257.337 2.204 10 0 CEAELP