smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cc[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621897 719082651 /nfs/dbraw/zinc/08/26/51/719082651.db2.gz IEKNQZZLAUQAOR-FPOVZHCZSA-N 2 2 351.494 3.970 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621897 719082657 /nfs/dbraw/zinc/08/26/57/719082657.db2.gz IEKNQZZLAUQAOR-FPOVZHCZSA-N 2 2 351.494 3.970 20 0 FHADLP CCCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164624335 719086991 /nfs/dbraw/zinc/08/69/91/719086991.db2.gz FKHSGKUEQFHZHH-FPOVZHCZSA-N 2 2 350.510 3.838 20 0 FHADLP CCCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164624335 719086995 /nfs/dbraw/zinc/08/69/95/719086995.db2.gz FKHSGKUEQFHZHH-FPOVZHCZSA-N 2 2 350.510 3.838 20 0 FHADLP CCCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164624338 719087130 /nfs/dbraw/zinc/08/71/30/719087130.db2.gz FKHSGKUEQFHZHH-TZIWHRDSSA-N 2 2 350.510 3.838 20 0 FHADLP CCCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164624338 719087135 /nfs/dbraw/zinc/08/71/35/719087135.db2.gz FKHSGKUEQFHZHH-TZIWHRDSSA-N 2 2 350.510 3.838 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813838 720119154 /nfs/dbraw/zinc/11/91/54/720119154.db2.gz RCPURLOYHPSJHZ-WMZHIEFXSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813838 720119158 /nfs/dbraw/zinc/11/91/58/720119158.db2.gz RCPURLOYHPSJHZ-WMZHIEFXSA-N 2 2 365.521 3.728 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844879 720696582 /nfs/dbraw/zinc/69/65/82/720696582.db2.gz VTSVGHARROTCJS-IBGZPJMESA-N 2 2 369.484 3.789 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844879 720696585 /nfs/dbraw/zinc/69/65/85/720696585.db2.gz VTSVGHARROTCJS-IBGZPJMESA-N 2 2 369.484 3.789 20 0 FHADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc(C(C)C)[nH+]1 ZINC001164858486 720926604 /nfs/dbraw/zinc/92/66/04/720926604.db2.gz NNEBEMNKGKRHKR-OAHLLOKOSA-N 2 2 356.518 3.526 20 0 FHADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(C(C)C)[nH+]1 ZINC001164858486 720926614 /nfs/dbraw/zinc/92/66/14/720926614.db2.gz NNEBEMNKGKRHKR-OAHLLOKOSA-N 2 2 356.518 3.526 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022603 721811068 /nfs/dbraw/zinc/81/10/68/721811068.db2.gz GAAZWJZAGBNLAH-IHPCNDPISA-N 2 2 366.509 3.531 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022603 721811069 /nfs/dbraw/zinc/81/10/69/721811069.db2.gz GAAZWJZAGBNLAH-IHPCNDPISA-N 2 2 366.509 3.531 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165022189 721827513 /nfs/dbraw/zinc/82/75/13/721827513.db2.gz GPNHGGHPXNFTAB-SESVDKBCSA-N 2 2 365.525 3.534 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165022189 721827516 /nfs/dbraw/zinc/82/75/16/721827516.db2.gz GPNHGGHPXNFTAB-SESVDKBCSA-N 2 2 365.525 3.534 20 0 FHADLP C[N@H+](Cc1ccc(Br)c(Br)c1)C1(C[NH3+])CCC1 ZINC000385155101 936347637 /nfs/dbraw/zinc/34/76/37/936347637.db2.gz JMHNAKAPXRWOTH-UHFFFAOYSA-N 2 2 362.109 3.525 20 0 FHADLP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1(C[NH3+])CCC1 ZINC000385155101 936347642 /nfs/dbraw/zinc/34/76/42/936347642.db2.gz JMHNAKAPXRWOTH-UHFFFAOYSA-N 2 2 362.109 3.525 20 0 FHADLP C[N@H+](Cc1csc(-c2ccco2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441053 937092547 /nfs/dbraw/zinc/09/25/47/937092547.db2.gz HIMRAXXPGDXIMK-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP C[N@@H+](Cc1csc(-c2ccco2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079441053 937092551 /nfs/dbraw/zinc/09/25/51/937092551.db2.gz HIMRAXXPGDXIMK-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000683079509 927099218 /nfs/dbraw/zinc/09/92/18/927099218.db2.gz PUHATXHVPFITMI-IRXDYDNUSA-N 2 2 371.529 3.644 20 0 FHADLP CCC(CC)(CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000654785223 927305388 /nfs/dbraw/zinc/30/53/88/927305388.db2.gz DTQQNSMTWXQPRR-IRXDYDNUSA-N 2 2 356.514 3.614 20 0 FHADLP CCC(CC)(CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000654785223 927305403 /nfs/dbraw/zinc/30/54/03/927305403.db2.gz DTQQNSMTWXQPRR-IRXDYDNUSA-N 2 2 356.514 3.614 20 0 FHADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150771041 937160045 /nfs/dbraw/zinc/16/00/45/937160045.db2.gz OCGMSFUTBHUBLX-FQEVSTJZSA-N 2 2 363.505 3.857 20 0 FHADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150771041 937160048 /nfs/dbraw/zinc/16/00/48/937160048.db2.gz OCGMSFUTBHUBLX-FQEVSTJZSA-N 2 2 363.505 3.857 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274736717 927750736 /nfs/dbraw/zinc/75/07/36/927750736.db2.gz DJLJHGWMMAXNHV-CQSZACIVSA-N 2 2 359.905 3.834 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430234674 928365160 /nfs/dbraw/zinc/36/51/60/928365160.db2.gz BIDKHNNUDCHZBT-INIZCTEOSA-N 2 2 352.251 3.930 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430234674 928365175 /nfs/dbraw/zinc/36/51/75/928365175.db2.gz BIDKHNNUDCHZBT-INIZCTEOSA-N 2 2 352.251 3.930 20 0 FHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229286 928391356 /nfs/dbraw/zinc/39/13/56/928391356.db2.gz ALJWVJKJWLAJGD-GHTZIAJQSA-N 2 2 353.510 3.640 20 0 FHADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229286 928391371 /nfs/dbraw/zinc/39/13/71/928391371.db2.gz ALJWVJKJWLAJGD-GHTZIAJQSA-N 2 2 353.510 3.640 20 0 FHADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408078 928599265 /nfs/dbraw/zinc/59/92/65/928599265.db2.gz NMDTWYSMODSPNL-IBGZPJMESA-N 2 2 370.541 3.720 20 0 FHADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408078 928599272 /nfs/dbraw/zinc/59/92/72/928599272.db2.gz NMDTWYSMODSPNL-IBGZPJMESA-N 2 2 370.541 3.720 20 0 FHADLP Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001167094119 929125867 /nfs/dbraw/zinc/12/58/67/929125867.db2.gz DOQYBPSLGDOBOW-JOCHJYFZSA-N 2 2 354.469 3.995 20 0 FHADLP Fc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001167094119 929125875 /nfs/dbraw/zinc/12/58/75/929125875.db2.gz DOQYBPSLGDOBOW-JOCHJYFZSA-N 2 2 354.469 3.995 20 0 FHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280313 929449711 /nfs/dbraw/zinc/44/97/11/929449711.db2.gz BPDGWBMTWHCQRI-KSSFIOAISA-N 2 2 374.326 3.913 20 0 FHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280313 929449717 /nfs/dbraw/zinc/44/97/17/929449717.db2.gz BPDGWBMTWHCQRI-KSSFIOAISA-N 2 2 374.326 3.913 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280313 929449723 /nfs/dbraw/zinc/44/97/23/929449723.db2.gz BPDGWBMTWHCQRI-KSSFIOAISA-N 2 2 374.326 3.913 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280313 929449730 /nfs/dbraw/zinc/44/97/30/929449730.db2.gz BPDGWBMTWHCQRI-KSSFIOAISA-N 2 2 374.326 3.913 20 0 FHADLP Cn1cc([C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2cccc(F)c2)cn1 ZINC000180548525 929552517 /nfs/dbraw/zinc/55/25/17/929552517.db2.gz CJQAFTGVZRTEPC-OAQYLSRUSA-N 2 2 370.447 3.639 20 0 FHADLP CN(Cc1cccc(Cl)c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683668108 929737995 /nfs/dbraw/zinc/73/79/95/929737995.db2.gz ROBBZBJTGSPDQK-MRXNPFEDSA-N 2 2 356.341 3.594 20 0 FHADLP CN(Cc1cccc(Cl)c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683668108 929738003 /nfs/dbraw/zinc/73/80/03/929738003.db2.gz ROBBZBJTGSPDQK-MRXNPFEDSA-N 2 2 356.341 3.594 20 0 FHADLP COc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1NC(C)=O ZINC000162900684 937358272 /nfs/dbraw/zinc/35/82/72/937358272.db2.gz VFZNARPQIPJJBB-HNNXBMFYSA-N 2 2 356.470 3.592 20 0 FHADLP CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692373 929811148 /nfs/dbraw/zinc/81/11/48/929811148.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 2 361.533 3.958 20 0 FHADLP CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692373 929811149 /nfs/dbraw/zinc/81/11/49/929811149.db2.gz PPWDIUCHOHHUDO-YCSHWKNNSA-N 2 2 361.533 3.958 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000398040120 930631187 /nfs/dbraw/zinc/63/11/87/930631187.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 2 363.549 3.761 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000398040120 930631198 /nfs/dbraw/zinc/63/11/98/930631198.db2.gz RMAOZGFBKZCLPP-FGCOXFRFSA-N 2 2 363.549 3.761 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000125448797 930631357 /nfs/dbraw/zinc/63/13/57/930631357.db2.gz ANIPFXYGTDZKDC-HXUWFJFHSA-N 2 2 354.494 3.658 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000125448797 930631379 /nfs/dbraw/zinc/63/13/79/930631379.db2.gz ANIPFXYGTDZKDC-HXUWFJFHSA-N 2 2 354.494 3.658 20 0 FHADLP COc1cccc(C[C@H](C)[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000580860402 931275413 /nfs/dbraw/zinc/27/54/13/931275413.db2.gz ASJOTRUZWLUPBJ-AQKFKSFVSA-N 2 2 362.477 3.736 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313114727 931737925 /nfs/dbraw/zinc/73/79/25/931737925.db2.gz ZPUSOYXDBWHGJP-CTNGQTDRSA-N 2 2 360.505 3.873 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313114727 931737932 /nfs/dbraw/zinc/73/79/32/931737932.db2.gz ZPUSOYXDBWHGJP-CTNGQTDRSA-N 2 2 360.505 3.873 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000067439297 931779555 /nfs/dbraw/zinc/77/95/55/931779555.db2.gz KFNZQSUYJAUOCD-UHFFFAOYSA-N 2 2 369.509 3.632 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560406 931846893 /nfs/dbraw/zinc/84/68/93/931846893.db2.gz WATUCEBMGVBNLB-PWIZWCRZSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560406 931846900 /nfs/dbraw/zinc/84/69/00/931846900.db2.gz WATUCEBMGVBNLB-PWIZWCRZSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562369 931862999 /nfs/dbraw/zinc/86/29/99/931862999.db2.gz DJQDRICYEKNIKU-NVXWUHKLSA-N 2 2 359.901 3.873 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562369 931863012 /nfs/dbraw/zinc/86/30/12/931863012.db2.gz DJQDRICYEKNIKU-NVXWUHKLSA-N 2 2 359.901 3.873 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583045 931950687 /nfs/dbraw/zinc/95/06/87/931950687.db2.gz RIVFJVJADNTMHP-DENIHFKCSA-N 2 2 359.558 3.611 20 0 FHADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)c2ccccc2)CC1 ZINC000581482357 932154637 /nfs/dbraw/zinc/15/46/37/932154637.db2.gz KNPNSKGOZDVGAP-GOSISDBHSA-N 2 2 372.582 3.519 20 0 FHADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000581639332 932364141 /nfs/dbraw/zinc/36/41/41/932364141.db2.gz INWBOCROVMYHNS-IRXDYDNUSA-N 2 2 367.940 3.512 20 0 FHADLP Brc1ccc(S[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000625699504 932410225 /nfs/dbraw/zinc/41/02/25/932410225.db2.gz FPMODSQADKPYFX-INIZCTEOSA-N 2 2 366.328 3.902 20 0 FHADLP Brc1ccc(S[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)cc1 ZINC000625699504 932410230 /nfs/dbraw/zinc/41/02/30/932410230.db2.gz FPMODSQADKPYFX-INIZCTEOSA-N 2 2 366.328 3.902 20 0 FHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000656790438 932427618 /nfs/dbraw/zinc/42/76/18/932427618.db2.gz SHHNIDFLRCZVHD-GMAHTHKFSA-N 2 2 361.489 3.869 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCCNc4ccccc43)[nH+]c2)C1 ZINC000581753250 932609590 /nfs/dbraw/zinc/60/95/90/932609590.db2.gz PGOHGQOCKNDDGQ-XLIONFOSSA-N 2 2 351.498 3.581 20 0 FHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1C(C)(C)C ZINC000276558498 932675459 /nfs/dbraw/zinc/67/54/59/932675459.db2.gz RRFCZFFSDFYSOL-MAUKXSAKSA-N 2 2 370.545 3.655 20 0 FHADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000581872159 932781761 /nfs/dbraw/zinc/78/17/61/932781761.db2.gz QTHMCKICXPRWIU-HXUWFJFHSA-N 2 2 367.541 3.928 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000510471095 932801005 /nfs/dbraw/zinc/80/10/05/932801005.db2.gz KBNDETQEIASANQ-ICSRJNTNSA-N 2 2 374.488 3.746 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000510471095 932801013 /nfs/dbraw/zinc/80/10/13/932801013.db2.gz KBNDETQEIASANQ-ICSRJNTNSA-N 2 2 374.488 3.746 20 0 FHADLP c1cn(-c2ccc(C[NH+]3CCN(c4ccc5ccccc5n4)CC3)cc2)c[nH+]1 ZINC000510490249 932953986 /nfs/dbraw/zinc/95/39/86/932953986.db2.gz QDXQBMPNIPRZFP-UHFFFAOYSA-N 2 2 369.472 3.743 20 0 FHADLP Fc1ccc(COc2cccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)c2)c(F)c1 ZINC000647203787 933040446 /nfs/dbraw/zinc/04/04/46/933040446.db2.gz XQUZJKYSMONWSN-SFHVURJKSA-N 2 2 369.415 3.845 20 0 FHADLP C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343164 /nfs/dbraw/zinc/34/31/64/933343164.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343175 /nfs/dbraw/zinc/34/31/75/933343175.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@@]2(CCO1)C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343186 /nfs/dbraw/zinc/34/31/86/933343186.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@@]2(CCO1)C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869084 933343198 /nfs/dbraw/zinc/34/31/98/933343198.db2.gz WYPYVIHTQYDEDE-QTEQDKRBSA-N 2 2 374.569 3.803 20 0 FHADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940786 933451157 /nfs/dbraw/zinc/45/11/57/933451157.db2.gz RDWXGGMYUWMYQW-INIZCTEOSA-N 2 2 354.885 3.519 20 0 FHADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940786 933451161 /nfs/dbraw/zinc/45/11/61/933451161.db2.gz RDWXGGMYUWMYQW-INIZCTEOSA-N 2 2 354.885 3.519 20 0 FHADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3cccc4ccccc43)CC2)n1 ZINC000431079431 933800179 /nfs/dbraw/zinc/80/01/79/933800179.db2.gz YEVFJPPFSMXICQ-UHFFFAOYSA-N 2 2 350.466 3.796 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2cccnc2)CC1 ZINC000092165752 933915276 /nfs/dbraw/zinc/91/52/76/933915276.db2.gz PHSAJOXFCNDCNA-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2cccnc2)CC1 ZINC000092165752 933915280 /nfs/dbraw/zinc/91/52/80/933915280.db2.gz PHSAJOXFCNDCNA-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(OCC)c2OC(F)F)CC1 ZINC000092165401 933970368 /nfs/dbraw/zinc/97/03/68/933970368.db2.gz DZTGOIHABWPXEV-UHFFFAOYSA-N 2 2 356.457 3.993 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(OCC)c2OC(F)F)CC1 ZINC000092165401 933970373 /nfs/dbraw/zinc/97/03/73/933970373.db2.gz DZTGOIHABWPXEV-UHFFFAOYSA-N 2 2 356.457 3.993 20 0 FHADLP Brc1ccc2c(c1)C=C(C[NH+]1CCC(n3cc[nH+]c3)CC1)CO2 ZINC000092648838 934122398 /nfs/dbraw/zinc/12/23/98/934122398.db2.gz RMWZHGXERDRYNF-UHFFFAOYSA-N 2 2 374.282 3.759 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093692692 934166295 /nfs/dbraw/zinc/16/62/95/934166295.db2.gz ODAYZINEDCPTMS-NRFANRHFSA-N 2 2 354.542 3.712 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000093692692 934166301 /nfs/dbraw/zinc/16/63/01/934166301.db2.gz ODAYZINEDCPTMS-NRFANRHFSA-N 2 2 354.542 3.712 20 0 FHADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000277252484 934843396 /nfs/dbraw/zinc/84/33/96/934843396.db2.gz OCFAMSSCUCJSLN-ARFHVFGLSA-N 2 2 359.518 3.670 20 0 FHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146343 935114160 /nfs/dbraw/zinc/11/41/60/935114160.db2.gz XIINLFNKQUOQJJ-CQSZACIVSA-N 2 2 353.532 3.869 20 0 FHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146343 935114161 /nfs/dbraw/zinc/11/41/61/935114161.db2.gz XIINLFNKQUOQJJ-CQSZACIVSA-N 2 2 353.532 3.869 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146343 935114164 /nfs/dbraw/zinc/11/41/64/935114164.db2.gz XIINLFNKQUOQJJ-CQSZACIVSA-N 2 2 353.532 3.869 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146343 935114167 /nfs/dbraw/zinc/11/41/67/935114167.db2.gz XIINLFNKQUOQJJ-CQSZACIVSA-N 2 2 353.532 3.869 20 0 FHADLP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000582046091 935166393 /nfs/dbraw/zinc/16/63/93/935166393.db2.gz LPIOYCPMRJOCRO-INIZCTEOSA-N 2 2 369.494 3.663 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664353 935206538 /nfs/dbraw/zinc/20/65/38/935206538.db2.gz DNUKAQRZZUUQQX-RHSMWYFYSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664353 935206543 /nfs/dbraw/zinc/20/65/43/935206543.db2.gz DNUKAQRZZUUQQX-RHSMWYFYSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3F)c2)CCO1 ZINC000657329345 935232235 /nfs/dbraw/zinc/23/22/35/935232235.db2.gz LGQNIWYFEYAFJG-CQSZACIVSA-N 2 2 364.411 3.614 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3F)c2)CCO1 ZINC000657329345 935232241 /nfs/dbraw/zinc/23/22/41/935232241.db2.gz LGQNIWYFEYAFJG-CQSZACIVSA-N 2 2 364.411 3.614 20 0 FHADLP COc1cc(F)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1OC ZINC000582185618 935390575 /nfs/dbraw/zinc/39/05/75/935390575.db2.gz SJENBWHJDCUOJB-UHFFFAOYSA-N 2 2 350.478 3.730 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2)c[nH+]1 ZINC000511784215 945106851 /nfs/dbraw/zinc/10/68/51/945106851.db2.gz FVFOLYXPLRIARP-RJGXRXQPSA-N 2 2 359.473 3.877 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@@H]4COCC[C@H]43)cc2)c[nH+]1 ZINC000511784215 945106857 /nfs/dbraw/zinc/10/68/57/945106857.db2.gz FVFOLYXPLRIARP-RJGXRXQPSA-N 2 2 359.473 3.877 20 0 FHADLP CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000072895505 935657901 /nfs/dbraw/zinc/65/79/01/935657901.db2.gz LKGZGECGYVPQFI-QFIPXVFZSA-N 2 2 365.521 3.592 20 0 FHADLP CSc1ccc([C@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000582433127 935697202 /nfs/dbraw/zinc/69/72/02/935697202.db2.gz NJCJEXDVNAGXGQ-KRWDZBQOSA-N 2 2 357.527 3.514 20 0 FHADLP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC000431422686 935759452 /nfs/dbraw/zinc/75/94/52/935759452.db2.gz OZQBYYJICGTFNJ-LJQANCHMSA-N 2 2 368.456 3.970 20 0 FHADLP C[C@H](CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000582489079 935770932 /nfs/dbraw/zinc/77/09/32/935770932.db2.gz DBUIIQLIAVXMKC-GOSISDBHSA-N 2 2 368.525 3.915 20 0 FHADLP C[C@H](CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000582489079 935770933 /nfs/dbraw/zinc/77/09/33/935770933.db2.gz DBUIIQLIAVXMKC-GOSISDBHSA-N 2 2 368.525 3.915 20 0 FHADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000158409093 935778745 /nfs/dbraw/zinc/77/87/45/935778745.db2.gz OZEXVMKOYFLVFU-QGZVFWFLSA-N 2 2 351.450 3.748 20 0 FHADLP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000657468768 935834477 /nfs/dbraw/zinc/83/44/77/935834477.db2.gz CGWOLDNDSCBCSV-KRWDZBQOSA-N 2 2 369.415 3.914 20 0 FHADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152865354 935872690 /nfs/dbraw/zinc/87/26/90/935872690.db2.gz VZPGYOWGJNXJJW-NRFANRHFSA-N 2 2 351.494 3.592 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000152912407 935899618 /nfs/dbraw/zinc/89/96/18/935899618.db2.gz ZUCSYEOLIKBPDO-GOSISDBHSA-N 2 2 365.424 3.647 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000152912407 935899622 /nfs/dbraw/zinc/89/96/22/935899622.db2.gz ZUCSYEOLIKBPDO-GOSISDBHSA-N 2 2 365.424 3.647 20 0 FHADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000075784377 936019646 /nfs/dbraw/zinc/01/96/46/936019646.db2.gz LODFGOGWSOSBEM-HNNXBMFYSA-N 2 2 357.479 3.711 20 0 FHADLP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000166222509 936034976 /nfs/dbraw/zinc/03/49/76/936034976.db2.gz RCRHKAQAEIBYSW-SFTDATJTSA-N 2 2 357.542 3.659 20 0 FHADLP FC(F)(F)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC1CCCC1 ZINC000657587125 936066133 /nfs/dbraw/zinc/06/61/33/936066133.db2.gz RAORPIYXWYDRJP-KRWDZBQOSA-N 2 2 353.388 3.852 20 0 FHADLP FC(F)(F)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)OC1CCCC1 ZINC000657587127 936066462 /nfs/dbraw/zinc/06/64/62/936066462.db2.gz RAORPIYXWYDRJP-QGZVFWFLSA-N 2 2 353.388 3.852 20 0 FHADLP COc1cc2cccnc2c(N(c2c(N)[nH+]ccc2F)[C@H](C)CCC[NH3+])c1 ZINC001167611493 936084834 /nfs/dbraw/zinc/08/48/34/936084834.db2.gz NEVQSNHZMDVEOK-CYBMUJFWSA-N 2 2 369.444 3.625 20 0 FHADLP COc1cc2cccnc2c(N(c2c[nH+]ccc2OC)[C@H](C)CCC[NH3+])c1 ZINC001167615310 936109696 /nfs/dbraw/zinc/10/96/96/936109696.db2.gz JXRCCAWDMFIDEC-OAHLLOKOSA-N 2 2 366.465 3.913 20 0 FHADLP CC(C)C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000647297418 938288318 /nfs/dbraw/zinc/28/83/18/938288318.db2.gz BRWYYNKRJZBOAD-WOJBJXKFSA-N 2 2 353.514 3.816 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630196 938326163 /nfs/dbraw/zinc/32/61/63/938326163.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630196 938326165 /nfs/dbraw/zinc/32/61/65/938326165.db2.gz MYJVYBSWQREMJV-IRLDBZIGSA-N 2 2 353.554 3.790 20 0 FHADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000583630895 938331272 /nfs/dbraw/zinc/33/12/72/938331272.db2.gz YJGRILIDMJLUTM-GFCCVEGCSA-N 2 2 355.429 4.000 20 0 FHADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000583630895 938331275 /nfs/dbraw/zinc/33/12/75/938331275.db2.gz YJGRILIDMJLUTM-GFCCVEGCSA-N 2 2 355.429 4.000 20 0 FHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583722138 938378108 /nfs/dbraw/zinc/37/81/08/938378108.db2.gz IYKZGAFXNANSRM-OYZXAGTJSA-N 2 2 368.468 3.780 20 0 FHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583722138 938378110 /nfs/dbraw/zinc/37/81/10/938378110.db2.gz IYKZGAFXNANSRM-OYZXAGTJSA-N 2 2 368.468 3.780 20 0 FHADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000151139048 938400030 /nfs/dbraw/zinc/40/00/30/938400030.db2.gz SBEBWRLMVTUFGW-AWEZNQCLSA-N 2 2 352.301 3.862 20 0 FHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819388 938428961 /nfs/dbraw/zinc/42/89/61/938428961.db2.gz GNBKFQAHBYUOQQ-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819388 938428964 /nfs/dbraw/zinc/42/89/64/938428964.db2.gz GNBKFQAHBYUOQQ-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819388 938428967 /nfs/dbraw/zinc/42/89/67/938428967.db2.gz GNBKFQAHBYUOQQ-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819388 938428970 /nfs/dbraw/zinc/42/89/70/938428970.db2.gz GNBKFQAHBYUOQQ-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(N2CCCC2=O)c1 ZINC000151337019 938529077 /nfs/dbraw/zinc/52/90/77/938529077.db2.gz UDTNKHNFHRTHDA-GOSISDBHSA-N 2 2 374.488 3.909 20 0 FHADLP c1ccc(N2CCC([NH2+]CC[C@H]3CSc4ccccc4O3)CC2)[nH+]c1 ZINC000647321111 938580580 /nfs/dbraw/zinc/58/05/80/938580580.db2.gz XWIWGMYZWZNTJG-KRWDZBQOSA-N 2 2 355.507 3.583 20 0 FHADLP CCO[C@@H](C)c1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000159006015 938615132 /nfs/dbraw/zinc/61/51/32/938615132.db2.gz AISZTENIILAGMI-IRXDYDNUSA-N 2 2 364.534 3.644 20 0 FHADLP CCO[C@@H](C)c1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000159006015 938615134 /nfs/dbraw/zinc/61/51/34/938615134.db2.gz AISZTENIILAGMI-IRXDYDNUSA-N 2 2 364.534 3.644 20 0 FHADLP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171942 938628257 /nfs/dbraw/zinc/62/82/57/938628257.db2.gz OJZRNKQQGCCCPA-FQEVSTJZSA-N 2 2 367.468 3.551 20 0 FHADLP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171942 938628258 /nfs/dbraw/zinc/62/82/58/938628258.db2.gz OJZRNKQQGCCCPA-FQEVSTJZSA-N 2 2 367.468 3.551 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2cnccc2o1 ZINC000657843283 938707612 /nfs/dbraw/zinc/70/76/12/938707612.db2.gz XXBIVCHXQIQTRF-MRXNPFEDSA-N 2 2 351.450 3.511 20 0 FHADLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080960563 938710398 /nfs/dbraw/zinc/71/03/98/938710398.db2.gz QCIZUXQJMGIVBZ-SFHVURJKSA-N 2 2 362.477 3.795 20 0 FHADLP CCN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080960563 938710400 /nfs/dbraw/zinc/71/04/00/938710400.db2.gz QCIZUXQJMGIVBZ-SFHVURJKSA-N 2 2 362.477 3.795 20 0 FHADLP Cn1c(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)nc2cc(Cl)ccc21 ZINC000080968625 938710746 /nfs/dbraw/zinc/71/07/46/938710746.db2.gz IGUXVJCPEMHKNI-UHFFFAOYSA-N 2 2 369.900 3.723 20 0 FHADLP Cn1c(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)nc2cc(Cl)ccc21 ZINC000080968625 938710748 /nfs/dbraw/zinc/71/07/48/938710748.db2.gz IGUXVJCPEMHKNI-UHFFFAOYSA-N 2 2 369.900 3.723 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000584365223 938711261 /nfs/dbraw/zinc/71/12/61/938711261.db2.gz LMCWYWAJADKTNB-IEBWSBKVSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000584365223 938711262 /nfs/dbraw/zinc/71/12/62/938711262.db2.gz LMCWYWAJADKTNB-IEBWSBKVSA-N 2 2 356.514 3.768 20 0 FHADLP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667951 938882071 /nfs/dbraw/zinc/88/20/71/938882071.db2.gz KMRSJCYJEXFQLZ-IERDGZPVSA-N 2 2 351.494 3.893 20 0 FHADLP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(C)C ZINC000092066804 938910515 /nfs/dbraw/zinc/91/05/15/938910515.db2.gz AUNIFIFUTKLINN-XLIONFOSSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(C)C ZINC000092066804 938910516 /nfs/dbraw/zinc/91/05/16/938910516.db2.gz AUNIFIFUTKLINN-XLIONFOSSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC(C)C ZINC000092066804 938910517 /nfs/dbraw/zinc/91/05/17/938910517.db2.gz AUNIFIFUTKLINN-XLIONFOSSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC(C)C ZINC000092066804 938910519 /nfs/dbraw/zinc/91/05/19/938910519.db2.gz AUNIFIFUTKLINN-XLIONFOSSA-N 2 2 358.526 3.931 20 0 FHADLP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000092746406 938921277 /nfs/dbraw/zinc/92/12/77/938921277.db2.gz NZIYYTDRVTYDER-HUUCEWRRSA-N 2 2 360.452 3.523 20 0 FHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770692 938930260 /nfs/dbraw/zinc/93/02/60/938930260.db2.gz PQRICPCQZBIXSN-LJQANCHMSA-N 2 2 366.553 3.999 20 0 FHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770692 938930263 /nfs/dbraw/zinc/93/02/63/938930263.db2.gz PQRICPCQZBIXSN-LJQANCHMSA-N 2 2 366.553 3.999 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770692 938930266 /nfs/dbraw/zinc/93/02/66/938930266.db2.gz PQRICPCQZBIXSN-LJQANCHMSA-N 2 2 366.553 3.999 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770692 938930267 /nfs/dbraw/zinc/93/02/67/938930267.db2.gz PQRICPCQZBIXSN-LJQANCHMSA-N 2 2 366.553 3.999 20 0 FHADLP COc1ccc(Br)cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000302831130 938987001 /nfs/dbraw/zinc/98/70/01/938987001.db2.gz ANMGBJLUCSCZMT-MRXNPFEDSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000302831130 938987002 /nfs/dbraw/zinc/98/70/02/938987002.db2.gz ANMGBJLUCSCZMT-MRXNPFEDSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000302831130 938987003 /nfs/dbraw/zinc/98/70/03/938987003.db2.gz ANMGBJLUCSCZMT-MRXNPFEDSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000302831130 938987004 /nfs/dbraw/zinc/98/70/04/938987004.db2.gz ANMGBJLUCSCZMT-MRXNPFEDSA-N 2 2 355.320 3.764 20 0 FHADLP CN(Cc1ccc(F)c(Cl)c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457108 938987808 /nfs/dbraw/zinc/98/78/08/938987808.db2.gz DGLOALIXWNMVOG-OAHLLOKOSA-N 2 2 374.331 3.733 20 0 FHADLP CN(Cc1ccc(F)c(Cl)c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457108 938987809 /nfs/dbraw/zinc/98/78/09/938987809.db2.gz DGLOALIXWNMVOG-OAHLLOKOSA-N 2 2 374.331 3.733 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470657 938989458 /nfs/dbraw/zinc/98/94/58/938989458.db2.gz DBUCFFONNJAUEQ-CTNGQTDRSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000685470657 938989459 /nfs/dbraw/zinc/98/94/59/938989459.db2.gz DBUCFFONNJAUEQ-CTNGQTDRSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470657 938989460 /nfs/dbraw/zinc/98/94/60/938989460.db2.gz DBUCFFONNJAUEQ-CTNGQTDRSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470657 938989461 /nfs/dbraw/zinc/98/94/61/938989461.db2.gz DBUCFFONNJAUEQ-CTNGQTDRSA-N 2 2 351.494 3.673 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566843 939001224 /nfs/dbraw/zinc/00/12/24/939001224.db2.gz YQTJDRVHJPWPTD-CRAIPNDOSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566843 939001225 /nfs/dbraw/zinc/00/12/25/939001225.db2.gz YQTJDRVHJPWPTD-CRAIPNDOSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566843 939001226 /nfs/dbraw/zinc/00/12/26/939001226.db2.gz YQTJDRVHJPWPTD-CRAIPNDOSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566843 939001227 /nfs/dbraw/zinc/00/12/27/939001227.db2.gz YQTJDRVHJPWPTD-CRAIPNDOSA-N 2 2 359.539 3.566 20 0 FHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1oc(C)nc1C ZINC000685568315 939001386 /nfs/dbraw/zinc/00/13/86/939001386.db2.gz VVPODLSEUWKINW-UHFFFAOYSA-N 2 2 368.481 3.979 20 0 FHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1oc(C)nc1C ZINC000685568315 939001387 /nfs/dbraw/zinc/00/13/87/939001387.db2.gz VVPODLSEUWKINW-UHFFFAOYSA-N 2 2 368.481 3.979 20 0 FHADLP Cc1ncccc1C[NH+]1CCCC2(CCC[N@@H+](Cc3cccnc3C)C2)C1 ZINC000685593093 939003078 /nfs/dbraw/zinc/00/30/78/939003078.db2.gz FYQWPNQWJFDIIS-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Cc1ncccc1C[NH+]1CCCC2(CCC[N@H+](Cc3cccnc3C)C2)C1 ZINC000685593093 939003079 /nfs/dbraw/zinc/00/30/79/939003079.db2.gz FYQWPNQWJFDIIS-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)F)nc1 ZINC000657953386 939011360 /nfs/dbraw/zinc/01/13/60/939011360.db2.gz OMOMPSTUEROABW-XJKSGUPXSA-N 2 2 361.440 3.728 20 0 FHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055842 939020883 /nfs/dbraw/zinc/02/08/83/939020883.db2.gz JPMYIEXYQFFKDA-GJZGRUSLSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055842 939020884 /nfs/dbraw/zinc/02/08/84/939020884.db2.gz JPMYIEXYQFFKDA-GJZGRUSLSA-N 2 2 351.922 3.828 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000516770505 945224593 /nfs/dbraw/zinc/22/45/93/945224593.db2.gz MTHRHUJEXAKRBV-CQSZACIVSA-N 2 2 370.337 3.742 20 0 FHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293069 939100136 /nfs/dbraw/zinc/10/01/36/939100136.db2.gz CQKJCNMCFTXZCT-YOEHRIQHSA-N 2 2 352.906 3.643 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000658293881 939100797 /nfs/dbraw/zinc/10/07/97/939100797.db2.gz JTCYYBSZYZBMBF-IUODEOHRSA-N 2 2 374.859 3.845 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000658317435 939110081 /nfs/dbraw/zinc/11/00/81/939110081.db2.gz KUWNLSNVWYVGRD-VQIMIIECSA-N 2 2 366.534 3.734 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000658317435 939110085 /nfs/dbraw/zinc/11/00/85/939110085.db2.gz KUWNLSNVWYVGRD-VQIMIIECSA-N 2 2 366.534 3.734 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@@H+]2C)cn1 ZINC000375788483 939129465 /nfs/dbraw/zinc/12/94/65/939129465.db2.gz AHMYEYVCPMNXOV-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@H+]2C)cn1 ZINC000375788483 939129468 /nfs/dbraw/zinc/12/94/68/939129468.db2.gz AHMYEYVCPMNXOV-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000375794393 939897486 /nfs/dbraw/zinc/89/74/86/939897486.db2.gz LBKJJYIAKLPDJX-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@H+]2C)cn1 ZINC000375794393 939897492 /nfs/dbraw/zinc/89/74/92/939897492.db2.gz LBKJJYIAKLPDJX-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCc1ccccc1C[NH+]1CCCC1 ZINC000179751355 939931119 /nfs/dbraw/zinc/93/11/19/939931119.db2.gz IXYVVDQZFCRGCF-UHFFFAOYSA-N 2 2 364.497 3.789 20 0 FHADLP CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCCCC1 ZINC000548931227 940081599 /nfs/dbraw/zinc/08/15/99/940081599.db2.gz JUBXYORNGUWPFD-OAQYLSRUSA-N 2 2 371.569 3.668 20 0 FHADLP CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCCCC1 ZINC000548931227 940081602 /nfs/dbraw/zinc/08/16/02/940081602.db2.gz JUBXYORNGUWPFD-OAQYLSRUSA-N 2 2 371.569 3.668 20 0 FHADLP CCc1cccnc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000507529281 945305227 /nfs/dbraw/zinc/30/52/27/945305227.db2.gz OUFWDGJPIKZILT-HXUWFJFHSA-N 2 2 366.553 3.815 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)CCC[N@@H+]2C)cn1 ZINC000376168878 940409968 /nfs/dbraw/zinc/40/99/68/940409968.db2.gz YQFVNMATWRHOGU-XFQXTVEOSA-N 2 2 356.539 3.630 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)CCC[N@H+]2C)cn1 ZINC000376168878 940409969 /nfs/dbraw/zinc/40/99/69/940409969.db2.gz YQFVNMATWRHOGU-XFQXTVEOSA-N 2 2 356.539 3.630 20 0 FHADLP CC(=O)c1ccccc1OCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268585 940504249 /nfs/dbraw/zinc/50/42/49/940504249.db2.gz XOZQHCRNKXMTCS-UHFFFAOYSA-N 2 2 366.505 3.864 20 0 FHADLP CC(=O)c1ccccc1OCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268585 940504251 /nfs/dbraw/zinc/50/42/51/940504251.db2.gz XOZQHCRNKXMTCS-UHFFFAOYSA-N 2 2 366.505 3.864 20 0 FHADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000174295686 940718404 /nfs/dbraw/zinc/71/84/04/940718404.db2.gz OPZLGOCDLBRFEF-LBPRGKRZSA-N 2 2 358.313 3.783 20 0 FHADLP CCOCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000782963412 941345747 /nfs/dbraw/zinc/34/57/47/941345747.db2.gz JDOUSYAINCOLQD-GOSISDBHSA-N 2 2 369.509 3.770 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000549168053 941573639 /nfs/dbraw/zinc/57/36/39/941573639.db2.gz ZIWKSYQWLYOGKA-HFZDXXHNSA-N 2 2 370.562 3.685 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000549168053 941573644 /nfs/dbraw/zinc/57/36/44/941573644.db2.gz ZIWKSYQWLYOGKA-HFZDXXHNSA-N 2 2 370.562 3.685 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055029 941574297 /nfs/dbraw/zinc/57/42/97/941574297.db2.gz QQDUCXPENFMWQD-VQIMIIECSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055029 941574299 /nfs/dbraw/zinc/57/42/99/941574299.db2.gz QQDUCXPENFMWQD-VQIMIIECSA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415077150 941587966 /nfs/dbraw/zinc/58/79/66/941587966.db2.gz DXPJTKFCKSQTQQ-DYESRHJHSA-N 2 2 358.457 3.664 20 0 FHADLP CC(C)C[C@@H]([NH3+])CNC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096269 941599411 /nfs/dbraw/zinc/59/94/11/941599411.db2.gz AUHQDNHRQKJABZ-QGZVFWFLSA-N 2 2 357.464 3.633 20 0 FHADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096269 941599415 /nfs/dbraw/zinc/59/94/15/941599415.db2.gz AUHQDNHRQKJABZ-QGZVFWFLSA-N 2 2 357.464 3.633 20 0 FHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000377284388 941618673 /nfs/dbraw/zinc/61/86/73/941618673.db2.gz BRPKLOVEDMEJCA-UHFFFAOYSA-N 2 2 370.541 3.634 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415136657 941626203 /nfs/dbraw/zinc/62/62/03/941626203.db2.gz XMMCARVDLFMMQE-CRAIPNDOSA-N 2 2 359.901 3.731 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415136657 941626208 /nfs/dbraw/zinc/62/62/08/941626208.db2.gz XMMCARVDLFMMQE-CRAIPNDOSA-N 2 2 359.901 3.731 20 0 FHADLP COC(=O)c1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000894209481 941713724 /nfs/dbraw/zinc/71/37/24/941713724.db2.gz SNQXEPOUCOOVOR-UHFFFAOYSA-N 2 2 373.522 3.596 20 0 FHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCc4[nH+]c[nH]c43)cc2)CC1 ZINC000377661220 941876253 /nfs/dbraw/zinc/87/62/53/941876253.db2.gz DKLYOLVDZJYULR-GOSISDBHSA-N 2 2 352.482 3.700 20 0 FHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4cc(OC)ccc4c3)CC2)c1 ZINC000513429748 941916983 /nfs/dbraw/zinc/91/69/83/941916983.db2.gz JTBJXBWVNGNVMG-UHFFFAOYSA-N 2 2 363.461 3.574 20 0 FHADLP C[C@@H]1C[C@H](NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481380 941957665 /nfs/dbraw/zinc/95/76/65/941957665.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H](NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481380 941957666 /nfs/dbraw/zinc/95/76/66/941957666.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481380 941957668 /nfs/dbraw/zinc/95/76/68/941957668.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481380 941957671 /nfs/dbraw/zinc/95/76/71/941957671.db2.gz BCIHSCRASKFCQH-MISYRCLQSA-N 2 2 357.567 3.994 20 0 FHADLP CSc1cc(Br)ccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377788543 941989978 /nfs/dbraw/zinc/98/99/78/941989978.db2.gz XESMDQSOEUFOEM-LBPRGKRZSA-N 2 2 352.301 3.541 20 0 FHADLP CC(C)Oc1ccc2ccccc2c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513558503 942015442 /nfs/dbraw/zinc/01/54/42/942015442.db2.gz NZUFBHXKQRJTJO-UHFFFAOYSA-N 2 2 356.510 3.516 20 0 FHADLP CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000513558503 942015444 /nfs/dbraw/zinc/01/54/44/942015444.db2.gz NZUFBHXKQRJTJO-UHFFFAOYSA-N 2 2 356.510 3.516 20 0 FHADLP Clc1ccc2[nH+]ccc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)c2c1 ZINC000513625250 942051954 /nfs/dbraw/zinc/05/19/54/942051954.db2.gz PHWLFADXYDLRRI-OAQYLSRUSA-N 2 2 367.880 3.796 20 0 FHADLP C[N@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025254 942052525 /nfs/dbraw/zinc/05/25/25/942052525.db2.gz LZZLPJBXOGDBJA-SJMRULAFSA-N 2 2 357.448 3.998 20 0 FHADLP C[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025254 942052529 /nfs/dbraw/zinc/05/25/29/942052529.db2.gz LZZLPJBXOGDBJA-SJMRULAFSA-N 2 2 357.448 3.998 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025254 942052533 /nfs/dbraw/zinc/05/25/33/942052533.db2.gz LZZLPJBXOGDBJA-SJMRULAFSA-N 2 2 357.448 3.998 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025254 942052536 /nfs/dbraw/zinc/05/25/36/942052536.db2.gz LZZLPJBXOGDBJA-SJMRULAFSA-N 2 2 357.448 3.998 20 0 FHADLP COc1ccc([C@@H](C)C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377897653 942058619 /nfs/dbraw/zinc/05/86/19/942058619.db2.gz CPVSKBBWZNSCOV-IBGZPJMESA-N 2 2 367.537 3.833 20 0 FHADLP COc1ccc([C@@H](C)C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377897653 942058623 /nfs/dbraw/zinc/05/86/23/942058623.db2.gz CPVSKBBWZNSCOV-IBGZPJMESA-N 2 2 367.537 3.833 20 0 FHADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420921721 942255666 /nfs/dbraw/zinc/25/56/66/942255666.db2.gz MHUMRWPFMVYWAP-QGZVFWFLSA-N 2 2 356.432 3.682 20 0 FHADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420921721 942255671 /nfs/dbraw/zinc/25/56/71/942255671.db2.gz MHUMRWPFMVYWAP-QGZVFWFLSA-N 2 2 356.432 3.682 20 0 FHADLP Fc1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCC2)c(F)c1 ZINC000420956015 942275124 /nfs/dbraw/zinc/27/51/24/942275124.db2.gz YSFBPFSZRRNQDA-UHFFFAOYSA-N 2 2 372.459 3.966 20 0 FHADLP CC[C@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc(C)cs1 ZINC000420942962 942279424 /nfs/dbraw/zinc/27/94/24/942279424.db2.gz VZIZYJRQEMJBRC-FQEVSTJZSA-N 2 2 359.539 3.699 20 0 FHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000502272615 942324334 /nfs/dbraw/zinc/32/43/34/942324334.db2.gz ZUNJTUSKMTUJTO-DOTOQJQBSA-N 2 2 357.498 3.615 20 0 FHADLP C[NH+]1CCC(CNC(=O)CC2CCC(C)(C)CC2)([NH+]2CCCCC2)CC1 ZINC000501142965 942326807 /nfs/dbraw/zinc/32/68/07/942326807.db2.gz PBQLWSDRYIUTPB-UHFFFAOYSA-N 2 2 363.590 3.659 20 0 FHADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000041315027 942333197 /nfs/dbraw/zinc/33/31/97/942333197.db2.gz MGHMGPHHUOCBLD-UHFFFAOYSA-N 2 2 374.488 3.529 20 0 FHADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000041315027 942333202 /nfs/dbraw/zinc/33/32/02/942333202.db2.gz MGHMGPHHUOCBLD-UHFFFAOYSA-N 2 2 374.488 3.529 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000414423848 942344782 /nfs/dbraw/zinc/34/47/82/942344782.db2.gz BDUMBSUBGTXJRE-KRWDZBQOSA-N 2 2 367.472 3.508 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000414423848 942344787 /nfs/dbraw/zinc/34/47/87/942344787.db2.gz BDUMBSUBGTXJRE-KRWDZBQOSA-N 2 2 367.472 3.508 20 0 FHADLP c1cn(-c2csc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2)cn1 ZINC000502323347 942354718 /nfs/dbraw/zinc/35/47/18/942354718.db2.gz VIKKUNTVWKWZFZ-MRXNPFEDSA-N 2 2 367.522 3.846 20 0 FHADLP c1cn(-c2csc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2)cn1 ZINC000502323347 942354722 /nfs/dbraw/zinc/35/47/22/942354722.db2.gz VIKKUNTVWKWZFZ-MRXNPFEDSA-N 2 2 367.522 3.846 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000414822698 942423739 /nfs/dbraw/zinc/42/37/39/942423739.db2.gz FJAPDNLORZUXPN-HXUWFJFHSA-N 2 2 359.558 3.827 20 0 FHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502456198 942458552 /nfs/dbraw/zinc/45/85/52/942458552.db2.gz YLMCEHBYAZCRDG-SESVDKBCSA-N 2 2 360.542 3.681 20 0 FHADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414826075 942459028 /nfs/dbraw/zinc/45/90/28/942459028.db2.gz IFWVQBJAHAGCGO-GFCCVEGCSA-N 2 2 355.429 3.918 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1[NH3+] ZINC000647938285 942476084 /nfs/dbraw/zinc/47/60/84/942476084.db2.gz JDEUQBDACFIPOV-LALPHHSUSA-N 2 2 368.403 3.876 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1[NH3+] ZINC000647938285 942476087 /nfs/dbraw/zinc/47/60/87/942476087.db2.gz JDEUQBDACFIPOV-LALPHHSUSA-N 2 2 368.403 3.876 20 0 FHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501471531 942490727 /nfs/dbraw/zinc/49/07/27/942490727.db2.gz LFZOXGLHEGYJHD-KSVUCXBSSA-N 2 2 356.432 3.809 20 0 FHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501471531 942490734 /nfs/dbraw/zinc/49/07/34/942490734.db2.gz LFZOXGLHEGYJHD-KSVUCXBSSA-N 2 2 356.432 3.809 20 0 FHADLP CC(C)CCc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cs1 ZINC000513817173 942535010 /nfs/dbraw/zinc/53/50/10/942535010.db2.gz BZVABAKDPGWOQY-UHFFFAOYSA-N 2 2 365.587 3.666 20 0 FHADLP C[NH+](C)[C@@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000416245878 942548165 /nfs/dbraw/zinc/54/81/65/942548165.db2.gz TYWLEVWRWBNKOT-UXHICEINSA-N 2 2 371.912 3.506 20 0 FHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nccn2C(C)C)CC1 ZINC000181634628 942585760 /nfs/dbraw/zinc/58/57/60/942585760.db2.gz NXXBYSZPPUYCCB-QGZVFWFLSA-N 2 2 373.520 3.596 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293209 942597467 /nfs/dbraw/zinc/59/74/67/942597467.db2.gz QLPUKRGJHCCXBZ-XLIONFOSSA-N 2 2 363.505 3.509 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293209 942597473 /nfs/dbraw/zinc/59/74/73/942597473.db2.gz QLPUKRGJHCCXBZ-XLIONFOSSA-N 2 2 363.505 3.509 20 0 FHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647899744 942599335 /nfs/dbraw/zinc/59/93/35/942599335.db2.gz UUZJOPFQRSHZNV-TZIWHRDSSA-N 2 2 365.521 3.657 20 0 FHADLP CCN(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1cccc2ccccc21 ZINC000647899744 942599341 /nfs/dbraw/zinc/59/93/41/942599341.db2.gz UUZJOPFQRSHZNV-TZIWHRDSSA-N 2 2 365.521 3.657 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420301568 942611325 /nfs/dbraw/zinc/61/13/25/942611325.db2.gz FGMTXQUWHDCRTH-FYYLOGMGSA-N 2 2 359.473 3.777 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420301568 942611327 /nfs/dbraw/zinc/61/13/27/942611327.db2.gz FGMTXQUWHDCRTH-FYYLOGMGSA-N 2 2 359.473 3.777 20 0 FHADLP Cc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979829 942742776 /nfs/dbraw/zinc/74/27/76/942742776.db2.gz PEXFCXVQOWMSHG-JOCHJYFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979829 942742781 /nfs/dbraw/zinc/74/27/81/942742781.db2.gz PEXFCXVQOWMSHG-JOCHJYFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979829 942742784 /nfs/dbraw/zinc/74/27/84/942742784.db2.gz PEXFCXVQOWMSHG-JOCHJYFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979829 942742786 /nfs/dbraw/zinc/74/27/86/942742786.db2.gz PEXFCXVQOWMSHG-JOCHJYFZSA-N 2 2 350.510 3.582 20 0 FHADLP COc1cccc([C@H](O)C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000182863404 942799215 /nfs/dbraw/zinc/79/92/15/942799215.db2.gz FFGCLVKBJWLQNZ-JOCHJYFZSA-N 2 2 365.477 3.518 20 0 FHADLP COc1cccc([C@H](O)C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2)c1 ZINC000182863404 942799216 /nfs/dbraw/zinc/79/92/16/942799216.db2.gz FFGCLVKBJWLQNZ-JOCHJYFZSA-N 2 2 365.477 3.518 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000514210939 942820611 /nfs/dbraw/zinc/82/06/11/942820611.db2.gz LQNKGYOAWDCPKL-MAUKXSAKSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000514210939 942820615 /nfs/dbraw/zinc/82/06/15/942820615.db2.gz LQNKGYOAWDCPKL-MAUKXSAKSA-N 2 2 354.922 3.575 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660000459 942822715 /nfs/dbraw/zinc/82/27/15/942822715.db2.gz AYETUZDLIRQLHC-WMZOPIPTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660000459 942822719 /nfs/dbraw/zinc/82/27/19/942822719.db2.gz AYETUZDLIRQLHC-WMZOPIPTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660000459 942822724 /nfs/dbraw/zinc/82/27/24/942822724.db2.gz AYETUZDLIRQLHC-WMZOPIPTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660000459 942822727 /nfs/dbraw/zinc/82/27/27/942822727.db2.gz AYETUZDLIRQLHC-WMZOPIPTSA-N 2 2 361.555 3.812 20 0 FHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c(F)c1 ZINC000421821588 942832009 /nfs/dbraw/zinc/83/20/09/942832009.db2.gz SFKFQPQLJCWTLX-NRFANRHFSA-N 2 2 355.457 3.939 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1Cl ZINC000421824197 942832908 /nfs/dbraw/zinc/83/29/08/942832908.db2.gz HLWXLVKVFMSOBP-CVEARBPZSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1Cl ZINC000421824197 942832913 /nfs/dbraw/zinc/83/29/13/942832913.db2.gz HLWXLVKVFMSOBP-CVEARBPZSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1Cl ZINC000421829640 942836918 /nfs/dbraw/zinc/83/69/18/942836918.db2.gz AEMSVRSLXPJXCT-AWEZNQCLSA-N 2 2 359.905 3.834 20 0 FHADLP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434665756 942851866 /nfs/dbraw/zinc/85/18/66/942851866.db2.gz NLGIXGJMPPKVPU-HXUWFJFHSA-N 2 2 367.493 3.703 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)s1 ZINC000414555416 942852525 /nfs/dbraw/zinc/85/25/25/942852525.db2.gz IDQARENXYNHPLZ-OAHLLOKOSA-N 2 2 367.559 3.539 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](CCC(=O)OC(C)(C)C)C2)s1 ZINC000414555416 942852530 /nfs/dbraw/zinc/85/25/30/942852530.db2.gz IDQARENXYNHPLZ-OAHLLOKOSA-N 2 2 367.559 3.539 20 0 FHADLP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688331 942865789 /nfs/dbraw/zinc/86/57/89/942865789.db2.gz LDIYYWLJSJKXLW-UHFFFAOYSA-N 2 2 374.573 3.539 20 0 FHADLP CCc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000545916962 942898536 /nfs/dbraw/zinc/89/85/36/942898536.db2.gz HMDWVJNCGBUJIV-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP FC(F)(F)c1cc(Cl)nc(Cl)c1C[N@H+]1CCc2[nH+]ccn2CC1 ZINC001141099793 942959732 /nfs/dbraw/zinc/95/97/32/942959732.db2.gz SWVJKNLYFOWXHT-UHFFFAOYSA-N 2 2 365.186 3.662 20 0 FHADLP FC(F)(F)c1cc(Cl)nc(Cl)c1C[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001141099793 942959736 /nfs/dbraw/zinc/95/97/36/942959736.db2.gz SWVJKNLYFOWXHT-UHFFFAOYSA-N 2 2 365.186 3.662 20 0 FHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000434979659 943082528 /nfs/dbraw/zinc/08/25/28/943082528.db2.gz VTSLPPDZLRCSDG-MRXNPFEDSA-N 2 2 362.477 3.620 20 0 FHADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544236196 943095821 /nfs/dbraw/zinc/09/58/21/943095821.db2.gz OFJUWMHSBSTLIW-IBGZPJMESA-N 2 2 374.573 3.539 20 0 FHADLP CCCCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000435057205 943129031 /nfs/dbraw/zinc/12/90/31/943129031.db2.gz OXIAKWLLOSDTHW-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCCCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000435057205 943129033 /nfs/dbraw/zinc/12/90/33/943129033.db2.gz OXIAKWLLOSDTHW-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCSc1ccc([C@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000545912396 943130149 /nfs/dbraw/zinc/13/01/49/943130149.db2.gz QKIIBHQCZQMGSO-INIZCTEOSA-N 2 2 364.555 3.867 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272295785 943131044 /nfs/dbraw/zinc/13/10/44/943131044.db2.gz QLRDLXJFJRZJSS-AWEZNQCLSA-N 2 2 359.905 3.834 20 0 FHADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503389862 943154519 /nfs/dbraw/zinc/15/45/19/943154519.db2.gz HXASIJJUDMFPDI-INIZCTEOSA-N 2 2 371.456 3.525 20 0 FHADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503389862 943154522 /nfs/dbraw/zinc/15/45/22/943154522.db2.gz HXASIJJUDMFPDI-INIZCTEOSA-N 2 2 371.456 3.525 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422712972 943245004 /nfs/dbraw/zinc/24/50/04/943245004.db2.gz JEQPJDOLSCIUTP-YADHBBJMSA-N 3 2 359.558 3.734 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738185 943250657 /nfs/dbraw/zinc/25/06/57/943250657.db2.gz VGWKESLSEGFGIT-CJNGLKHVSA-N 2 2 364.839 3.712 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738185 943250660 /nfs/dbraw/zinc/25/06/60/943250660.db2.gz VGWKESLSEGFGIT-CJNGLKHVSA-N 2 2 364.839 3.712 20 0 FHADLP c1ccc(C(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422727660 943262484 /nfs/dbraw/zinc/26/24/84/943262484.db2.gz HTYWXBYELWGBRS-PKTZIBPZSA-N 2 2 350.506 3.565 20 0 FHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503592659 943279852 /nfs/dbraw/zinc/27/98/52/943279852.db2.gz OPTNLASKQZGWNT-WOJBJXKFSA-N 2 2 356.466 3.539 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795170 943285666 /nfs/dbraw/zinc/28/56/66/943285666.db2.gz ZTAORKXHSGJGTD-UNMCSNQZSA-N 2 2 364.493 3.518 20 0 FHADLP Cc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1C[NH+](C)C ZINC000425309559 943286600 /nfs/dbraw/zinc/28/66/00/943286600.db2.gz GWCOANVYQDRSDL-FQEVSTJZSA-N 2 2 362.477 3.940 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C(C)C)cc1OCC ZINC000422797847 943287188 /nfs/dbraw/zinc/28/71/88/943287188.db2.gz ORYQKTDHNBPNKO-HGHGUNKESA-N 2 2 364.530 3.538 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422826012 943297312 /nfs/dbraw/zinc/29/73/12/943297312.db2.gz BHUBEBUMCGDYLS-QHAWAJNXSA-N 2 2 352.526 3.526 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903358 943325240 /nfs/dbraw/zinc/32/52/40/943325240.db2.gz OILUJPXUFSFJGH-YZGWKJHDSA-N 3 2 356.489 3.720 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903356 943325419 /nfs/dbraw/zinc/32/54/19/943325419.db2.gz OILUJPXUFSFJGH-MISYRCLQSA-N 3 2 356.489 3.720 20 0 FHADLP CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000422912724 943329044 /nfs/dbraw/zinc/32/90/44/943329044.db2.gz WYTYCCMVWNQHJI-QYZOEREBSA-N 2 2 369.534 3.536 20 0 FHADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2Cl)cc1 ZINC000422919112 943341798 /nfs/dbraw/zinc/34/17/98/943341798.db2.gz JKTSGGCFZLHISE-KUDFPVQQSA-N 2 2 374.912 3.795 20 0 FHADLP COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422991026 943352039 /nfs/dbraw/zinc/35/20/39/943352039.db2.gz OZWRHMZVXKCWKW-YCRPNKLZSA-N 2 2 351.450 3.891 20 0 FHADLP CC(C)COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422972536 943355280 /nfs/dbraw/zinc/35/52/80/943355280.db2.gz MAKHOFSMNCOLFJ-DXIQSLLYSA-N 2 2 370.493 3.839 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008286 943363594 /nfs/dbraw/zinc/36/35/94/943363594.db2.gz ZRLLTYBFUROGNK-PGRDOPGGSA-N 3 2 363.509 3.754 20 0 FHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370988 943364967 /nfs/dbraw/zinc/36/49/67/943364967.db2.gz KTRCLKDDFOXYSV-NWDGAFQWSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370988 943364974 /nfs/dbraw/zinc/36/49/74/943364974.db2.gz KTRCLKDDFOXYSV-NWDGAFQWSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000423016079 943365571 /nfs/dbraw/zinc/36/55/71/943365571.db2.gz AYHMPFDPNFVIHO-AHEZYBDSSA-N 2 2 356.432 3.698 20 0 FHADLP FC(F)Oc1ccc(Cl)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868386 943366237 /nfs/dbraw/zinc/36/62/37/943366237.db2.gz AIWRDNPEDFVNNW-UHFFFAOYSA-N 2 2 355.816 3.606 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423049486 943369035 /nfs/dbraw/zinc/36/90/35/943369035.db2.gz XTPXSIWXSCOOMF-NKGKWGDASA-N 2 2 356.432 3.698 20 0 FHADLP CC[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435382549 943370085 /nfs/dbraw/zinc/37/00/85/943370085.db2.gz DRZLNFMNNZPKKM-MRXNPFEDSA-N 2 2 359.495 3.503 20 0 FHADLP CC[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435382549 943370088 /nfs/dbraw/zinc/37/00/88/943370088.db2.gz DRZLNFMNNZPKKM-MRXNPFEDSA-N 2 2 359.495 3.503 20 0 FHADLP CC[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]CC1 ZINC000435382547 943370247 /nfs/dbraw/zinc/37/02/47/943370247.db2.gz DRZLNFMNNZPKKM-INIZCTEOSA-N 2 2 359.495 3.503 20 0 FHADLP CC[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCC[NH2+]CC1 ZINC000435382547 943370251 /nfs/dbraw/zinc/37/02/51/943370251.db2.gz DRZLNFMNNZPKKM-INIZCTEOSA-N 2 2 359.495 3.503 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069248 943380915 /nfs/dbraw/zinc/38/09/15/943380915.db2.gz AUJMPGMNLFFIMA-OPYAIIAOSA-N 2 2 354.494 3.683 20 0 FHADLP C[C@@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074127 943383181 /nfs/dbraw/zinc/38/31/81/943383181.db2.gz UBSAKYCOWPLXSZ-CCKFTAQKSA-N 2 2 374.326 3.858 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427681 943406599 /nfs/dbraw/zinc/40/65/99/943406599.db2.gz NUTHIQIANISAAP-UTSMFGRCSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427681 943406603 /nfs/dbraw/zinc/40/66/03/943406603.db2.gz NUTHIQIANISAAP-UTSMFGRCSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427679 943406711 /nfs/dbraw/zinc/40/67/11/943406711.db2.gz NUTHIQIANISAAP-GJEJWFRCSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427679 943406717 /nfs/dbraw/zinc/40/67/17/943406717.db2.gz NUTHIQIANISAAP-GJEJWFRCSA-N 2 2 369.534 3.809 20 0 FHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)ccc1F ZINC000423185547 943420648 /nfs/dbraw/zinc/42/06/48/943420648.db2.gz JNNBVFZOXFXSNW-ZDUSSCGKSA-N 2 2 366.278 3.814 20 0 FHADLP Cc1cc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccnc2)ccc1F ZINC000423194217 943438066 /nfs/dbraw/zinc/43/80/66/943438066.db2.gz YOUNVZPNDVIRPX-JOCHJYFZSA-N 2 2 364.468 3.783 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233770 943442812 /nfs/dbraw/zinc/44/28/12/943442812.db2.gz OSAAYTKZUMMGNR-CYBMUJFWSA-N 2 2 359.543 3.727 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423234280 943454138 /nfs/dbraw/zinc/45/41/38/943454138.db2.gz FLPJYQIEZOZLNF-WZONZLPQSA-N 2 2 367.537 3.997 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322743 943475466 /nfs/dbraw/zinc/47/54/66/943475466.db2.gz GTAIHFQSQVJEAI-XPGWFJOJSA-N 2 2 370.493 3.509 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000423335886 943483318 /nfs/dbraw/zinc/48/33/18/943483318.db2.gz PZOKITKEILMZML-YYWHXJBOSA-N 2 2 370.468 3.566 20 0 FHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372198 943485720 /nfs/dbraw/zinc/48/57/20/943485720.db2.gz AXOSLQZTAMZNGK-LEWJYISDSA-N 2 2 353.510 3.742 20 0 FHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000423370690 943494343 /nfs/dbraw/zinc/49/43/43/943494343.db2.gz PQWPRSQXCYFMSZ-NVMYHKGLSA-N 2 2 358.432 3.791 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000423370691 943494577 /nfs/dbraw/zinc/49/45/77/943494577.db2.gz PQWPRSQXCYFMSZ-WMHILYHISA-N 2 2 358.432 3.791 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)CCC[NH2+]1 ZINC000423422384 943505853 /nfs/dbraw/zinc/50/58/53/943505853.db2.gz KNGRKLAOSKWTHC-ORAYPTAESA-N 2 2 363.502 3.677 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CCC[NH2+]1 ZINC000423424382 943506543 /nfs/dbraw/zinc/50/65/43/943506543.db2.gz LQEXVLCRVWJCST-QRWLVFNGSA-N 2 2 359.539 3.846 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CCC[NH2+]1 ZINC000423417053 943511870 /nfs/dbraw/zinc/51/18/70/943511870.db2.gz GIPODJKQROCEJV-ORAYPTAESA-N 2 2 363.502 3.677 20 0 FHADLP C[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435621677 943518891 /nfs/dbraw/zinc/51/88/91/943518891.db2.gz NVYSAGITEMBMAF-INIZCTEOSA-N 2 2 364.287 3.678 20 0 FHADLP C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435621677 943518896 /nfs/dbraw/zinc/51/88/96/943518896.db2.gz NVYSAGITEMBMAF-INIZCTEOSA-N 2 2 364.287 3.678 20 0 FHADLP COCC[N@H+](C)CC[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000504169502 943534337 /nfs/dbraw/zinc/53/43/37/943534337.db2.gz PJSNWVFQQMXDKS-QFIPXVFZSA-N 2 2 366.505 3.762 20 0 FHADLP COCC[N@@H+](C)CC[C@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000504169502 943534341 /nfs/dbraw/zinc/53/43/41/943534341.db2.gz PJSNWVFQQMXDKS-QFIPXVFZSA-N 2 2 366.505 3.762 20 0 FHADLP Cc1[nH+]cc(CN2CCC[N@H+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000435768665 943600215 /nfs/dbraw/zinc/60/02/15/943600215.db2.gz RKZVLTIAPIUQTN-UHFFFAOYSA-N 2 2 360.505 3.889 20 0 FHADLP Cc1[nH+]cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000435768665 943600219 /nfs/dbraw/zinc/60/02/19/943600219.db2.gz RKZVLTIAPIUQTN-UHFFFAOYSA-N 2 2 360.505 3.889 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000424159783 943767718 /nfs/dbraw/zinc/76/77/18/943767718.db2.gz AKFKLKBQVJIYRD-SFHVURJKSA-N 2 2 360.448 3.520 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000424159783 943767723 /nfs/dbraw/zinc/76/77/23/943767723.db2.gz AKFKLKBQVJIYRD-SFHVURJKSA-N 2 2 360.448 3.520 20 0 FHADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH2+][C@H](C)c4ccccc4)CCOCC3)C[C@H]2C1 ZINC000424312150 943838802 /nfs/dbraw/zinc/83/88/02/943838802.db2.gz LWFOOZBHOXGKIT-VOFPXKNKSA-N 2 2 372.553 3.680 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000424322217 943844019 /nfs/dbraw/zinc/84/40/19/943844019.db2.gz VAVJWBREICEGOG-GJZGRUSLSA-N 2 2 352.906 3.500 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846706 /nfs/dbraw/zinc/84/67/06/943846706.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846711 /nfs/dbraw/zinc/84/67/11/943846711.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846719 /nfs/dbraw/zinc/84/67/19/943846719.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549478069 943846725 /nfs/dbraw/zinc/84/67/25/943846725.db2.gz OUKXTYJRDRTHPS-JRGCBEDISA-N 2 2 365.512 3.953 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(N(C)C)[nH+]1 ZINC000162483985 943893907 /nfs/dbraw/zinc/89/39/07/943893907.db2.gz RPSRLICEMOPUKR-GOSISDBHSA-N 2 2 373.545 3.576 20 0 FHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875778 943900228 /nfs/dbraw/zinc/90/02/28/943900228.db2.gz JQZVEJAJQNOJFW-UHFFFAOYSA-N 2 2 354.281 3.667 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000414876201 943915133 /nfs/dbraw/zinc/91/51/33/943915133.db2.gz CXUHNLFGPJLAOX-QUCCMNQESA-N 2 2 367.518 3.849 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CC[NH2+]C1 ZINC000436050092 943973010 /nfs/dbraw/zinc/97/30/10/943973010.db2.gz IJKAAFUOWALOLW-HNNXBMFYSA-N 2 2 370.497 3.751 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(F)cc2cccnc21)C[C@H]1CC[NH2+]C1 ZINC000436050092 943973014 /nfs/dbraw/zinc/97/30/14/943973014.db2.gz IJKAAFUOWALOLW-HNNXBMFYSA-N 2 2 370.497 3.751 20 0 FHADLP CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cs1)c1ccc(C)cc1 ZINC000414797247 943983109 /nfs/dbraw/zinc/98/31/09/943983109.db2.gz IKVVJMXAYLLFJO-QFBILLFUSA-N 2 2 372.538 3.743 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000417989765 944039340 /nfs/dbraw/zinc/03/93/40/944039340.db2.gz JQHHTBATQHUULI-QHCPKHFHSA-N 2 2 365.521 3.533 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000417989765 944039348 /nfs/dbraw/zinc/03/93/48/944039348.db2.gz JQHHTBATQHUULI-QHCPKHFHSA-N 2 2 365.521 3.533 20 0 FHADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505150970 944094041 /nfs/dbraw/zinc/09/40/41/944094041.db2.gz NGNWSLVUHRPGRJ-LJQANCHMSA-N 2 2 374.573 3.828 20 0 FHADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000517205836 944104541 /nfs/dbraw/zinc/10/45/41/944104541.db2.gz ODAGGTXKVFAOGY-HZMBPMFUSA-N 2 2 366.690 3.960 20 0 FHADLP C[C@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000517263504 944166338 /nfs/dbraw/zinc/16/63/38/944166338.db2.gz NVYKTQDPWLXWRP-ZHRRBRCNSA-N 2 2 354.469 3.944 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000437866273 944183156 /nfs/dbraw/zinc/18/31/56/944183156.db2.gz GYZONDZZMQOGAM-FUHWJXTLSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000437866273 944183160 /nfs/dbraw/zinc/18/31/60/944183160.db2.gz GYZONDZZMQOGAM-FUHWJXTLSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CC2 ZINC000437866273 944183162 /nfs/dbraw/zinc/18/31/62/944183162.db2.gz GYZONDZZMQOGAM-FUHWJXTLSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000437866273 944183166 /nfs/dbraw/zinc/18/31/66/944183166.db2.gz GYZONDZZMQOGAM-FUHWJXTLSA-N 2 2 372.557 3.551 20 0 FHADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162585380 944196786 /nfs/dbraw/zinc/19/67/86/944196786.db2.gz SMJKVIOFBITOPY-UHFFFAOYSA-N 2 2 369.513 3.572 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000436341421 944217844 /nfs/dbraw/zinc/21/78/44/944217844.db2.gz VPBNMZXTADZFPX-GOSISDBHSA-N 2 2 355.486 3.561 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@H]3CCC[N@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000436341421 944217851 /nfs/dbraw/zinc/21/78/51/944217851.db2.gz VPBNMZXTADZFPX-GOSISDBHSA-N 2 2 355.486 3.561 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3ccncc3)c2)cc1 ZINC000414882687 944231271 /nfs/dbraw/zinc/23/12/71/944231271.db2.gz MJZUAWQQBKRCMV-ZEQRLZLVSA-N 2 2 373.500 3.993 20 0 FHADLP c1c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)noc1-c1ccccc1 ZINC000517356227 944239535 /nfs/dbraw/zinc/23/95/35/944239535.db2.gz MSCZRFLBKPYEHV-KNQAVFIVSA-N 2 2 361.445 3.687 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3cc4c(cccc4F)[nH]3)CCC[NH+]2C)cn1 ZINC000437975744 944262324 /nfs/dbraw/zinc/26/23/24/944262324.db2.gz KZLFVBIPEINTOH-YCRPNKLZSA-N 2 2 369.488 3.555 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3cc4c(cccc4F)[nH]3)CCC[NH+]2C)cn1 ZINC000437975744 944262332 /nfs/dbraw/zinc/26/23/32/944262332.db2.gz KZLFVBIPEINTOH-YCRPNKLZSA-N 2 2 369.488 3.555 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc4c(cccc4F)[nH]3)CCC[N@@H+]2C)cn1 ZINC000437975744 944262340 /nfs/dbraw/zinc/26/23/40/944262340.db2.gz KZLFVBIPEINTOH-YCRPNKLZSA-N 2 2 369.488 3.555 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3cc4c(cccc4F)[nH]3)CCC[N@H+]2C)cn1 ZINC000437975744 944262347 /nfs/dbraw/zinc/26/23/47/944262347.db2.gz KZLFVBIPEINTOH-YCRPNKLZSA-N 2 2 369.488 3.555 20 0 FHADLP CC[NH+](CC)CCOC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000436443146 944319186 /nfs/dbraw/zinc/31/91/86/944319186.db2.gz GDSCXCWYCBSIOL-UHFFFAOYSA-N 2 2 357.498 3.571 20 0 FHADLP CC[N@H+](CC[C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438118863 944339514 /nfs/dbraw/zinc/33/95/14/944339514.db2.gz YQEYXYKEHWWMOT-SFHVURJKSA-N 2 2 360.546 3.626 20 0 FHADLP CC[N@@H+](CC[C@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438118863 944339522 /nfs/dbraw/zinc/33/95/22/944339522.db2.gz YQEYXYKEHWWMOT-SFHVURJKSA-N 2 2 360.546 3.626 20 0 FHADLP Cc1ccc(Br)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000439137533 944370513 /nfs/dbraw/zinc/37/05/13/944370513.db2.gz ICSOCUOZVUOZAB-UHFFFAOYSA-N 2 2 360.299 3.911 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923699 944381065 /nfs/dbraw/zinc/38/10/65/944381065.db2.gz HTISBUMPLBGHNC-KRWDZBQOSA-N 2 2 356.539 3.659 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923699 944381070 /nfs/dbraw/zinc/38/10/70/944381070.db2.gz HTISBUMPLBGHNC-KRWDZBQOSA-N 2 2 356.539 3.659 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923701 944381351 /nfs/dbraw/zinc/38/13/51/944381351.db2.gz HTISBUMPLBGHNC-QGZVFWFLSA-N 2 2 356.539 3.659 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCc4cc(N)ccc43)sc2C1 ZINC000414923701 944381356 /nfs/dbraw/zinc/38/13/56/944381356.db2.gz HTISBUMPLBGHNC-QGZVFWFLSA-N 2 2 356.539 3.659 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc(N2CCCC2)n1 ZINC000426340810 944493672 /nfs/dbraw/zinc/49/36/72/944493672.db2.gz WBCBIWJWYWAPDP-LAUBAEHRSA-N 2 2 371.573 3.518 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592519 944534519 /nfs/dbraw/zinc/53/45/19/944534519.db2.gz SDINKUVBTVKGII-PXNSSMCTSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592519 944534523 /nfs/dbraw/zinc/53/45/23/944534523.db2.gz SDINKUVBTVKGII-PXNSSMCTSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390611075 944558922 /nfs/dbraw/zinc/55/89/22/944558922.db2.gz WWXXPKASCOVDTR-AEFFLSMTSA-N 2 2 358.448 3.988 20 0 FHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390611075 944558925 /nfs/dbraw/zinc/55/89/25/944558925.db2.gz WWXXPKASCOVDTR-AEFFLSMTSA-N 2 2 358.448 3.988 20 0 FHADLP Cc1noc2ncc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc12 ZINC000894780943 944604512 /nfs/dbraw/zinc/60/45/12/944604512.db2.gz AUVMHBPAFQVFSP-UHFFFAOYSA-N 2 2 350.466 3.628 20 0 FHADLP Cc1noc2ncc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)cc12 ZINC000894780943 944604513 /nfs/dbraw/zinc/60/45/13/944604513.db2.gz AUVMHBPAFQVFSP-UHFFFAOYSA-N 2 2 350.466 3.628 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3nc(C)ccc3c2)cc1 ZINC000414892123 944688204 /nfs/dbraw/zinc/68/82/04/944688204.db2.gz WKGSRCLYRGPIPH-JTHBVZDNSA-N 2 2 361.489 3.787 20 0 FHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390678326 944693183 /nfs/dbraw/zinc/69/31/83/944693183.db2.gz UZLMBVMWJQNDFW-CBNMVNINSA-N 2 2 368.496 3.952 20 0 FHADLP Fc1ccccc1C1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390678326 944693188 /nfs/dbraw/zinc/69/31/88/944693188.db2.gz UZLMBVMWJQNDFW-CBNMVNINSA-N 2 2 368.496 3.952 20 0 FHADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000426043924 944720550 /nfs/dbraw/zinc/72/05/50/944720550.db2.gz JUVNSDJTZPZPHM-MOPGFXCFSA-N 2 2 352.869 3.820 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1OCc1cccnc1 ZINC000414934715 944752470 /nfs/dbraw/zinc/75/24/70/944752470.db2.gz VJSCBBSSSNTBEO-NRFANRHFSA-N 2 2 369.509 3.537 20 0 FHADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)c[nH+]1 ZINC000516348309 944754240 /nfs/dbraw/zinc/75/42/40/944754240.db2.gz SGTKIQBQGSYOPD-FDFHNCONSA-N 2 2 373.504 3.649 20 0 FHADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)c[nH+]1 ZINC000516348309 944754247 /nfs/dbraw/zinc/75/42/47/944754247.db2.gz SGTKIQBQGSYOPD-FDFHNCONSA-N 2 2 373.504 3.649 20 0 FHADLP CCCCC[C@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270139928 944775094 /nfs/dbraw/zinc/77/50/94/944775094.db2.gz GGTGQABWRLOPJT-TYPHKJRUSA-N 2 2 360.546 3.651 20 0 FHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000518883632 944902609 /nfs/dbraw/zinc/90/26/09/944902609.db2.gz KASXMVFAIRBSFV-IBGZPJMESA-N 2 2 353.514 3.962 20 0 FHADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794487 944946023 /nfs/dbraw/zinc/94/60/23/944946023.db2.gz FFYFPTVNJWSFSG-NRFANRHFSA-N 2 2 360.461 3.900 20 0 FHADLP FC(F)(F)C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425893299 944982837 /nfs/dbraw/zinc/98/28/37/944982837.db2.gz DAXJRKLVUBZFOC-KRWDZBQOSA-N 2 2 353.388 3.925 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388755709 945542437 /nfs/dbraw/zinc/54/24/37/945542437.db2.gz NBKOMOYCAHPYBB-AZUAARDMSA-N 2 2 352.526 3.998 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388755709 945542448 /nfs/dbraw/zinc/54/24/48/945542448.db2.gz NBKOMOYCAHPYBB-AZUAARDMSA-N 2 2 352.526 3.998 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633322 945602322 /nfs/dbraw/zinc/60/23/22/945602322.db2.gz DJYKZCUEWAGXQK-NZQKXSOJSA-N 2 2 365.521 3.814 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633322 945602327 /nfs/dbraw/zinc/60/23/27/945602327.db2.gz DJYKZCUEWAGXQK-NZQKXSOJSA-N 2 2 365.521 3.814 20 0 FHADLP COc1cc(OC)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1F ZINC000651687435 945660881 /nfs/dbraw/zinc/66/08/81/945660881.db2.gz CMVDKCBKSPKRCK-UHFFFAOYSA-N 2 2 373.403 3.766 20 0 FHADLP CC(C)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684282 /nfs/dbraw/zinc/68/42/82/945684282.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684286 /nfs/dbraw/zinc/68/42/86/945684286.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684290 /nfs/dbraw/zinc/68/42/90/945684290.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416427 945684293 /nfs/dbraw/zinc/68/42/93/945684293.db2.gz IZHMLZBZKOACCQ-JNXWUCBASA-N 2 2 363.496 3.703 20 0 FHADLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000443994997 945688440 /nfs/dbraw/zinc/68/84/40/945688440.db2.gz MBMKNDYHFMWYKB-UHFFFAOYSA-N 2 2 358.917 3.608 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712443 945689078 /nfs/dbraw/zinc/68/90/78/945689078.db2.gz NWQJTLXRQSBTSF-RHSMWYFYSA-N 2 2 364.559 3.611 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712443 945689083 /nfs/dbraw/zinc/68/90/83/945689083.db2.gz NWQJTLXRQSBTSF-RHSMWYFYSA-N 2 2 364.559 3.611 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000519789861 945744019 /nfs/dbraw/zinc/74/40/19/945744019.db2.gz HEVUCTLRDBGCEJ-AZUAARDMSA-N 2 2 352.526 3.563 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000519789861 945744024 /nfs/dbraw/zinc/74/40/24/945744024.db2.gz HEVUCTLRDBGCEJ-AZUAARDMSA-N 2 2 352.526 3.563 20 0 FHADLP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550097444 945833777 /nfs/dbraw/zinc/83/37/77/945833777.db2.gz PWCAXUZMVSPSOC-GHTZIAJQSA-N 2 2 369.509 3.923 20 0 FHADLP Cc1cc(N2CCC(Nc3cc[nH+]c4cc(F)ccc34)CC2)nc(C)[nH+]1 ZINC000301570454 945854620 /nfs/dbraw/zinc/85/46/20/945854620.db2.gz QYXPXZJGLLQQHQ-UHFFFAOYSA-N 2 2 351.429 3.862 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281813849 945861711 /nfs/dbraw/zinc/86/17/11/945861711.db2.gz ZDCACGRWHPXAPE-VFNWGFHPSA-N 2 2 354.473 3.882 20 0 FHADLP c1csc(C[NH+]2CCC(CNc3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000301817295 945983327 /nfs/dbraw/zinc/98/33/27/945983327.db2.gz HXOUMONLFWMDGR-UHFFFAOYSA-N 2 2 357.527 3.684 20 0 FHADLP c1csc(C[NH+]2CCC(CNc3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000301817295 945983334 /nfs/dbraw/zinc/98/33/34/945983334.db2.gz HXOUMONLFWMDGR-UHFFFAOYSA-N 2 2 357.527 3.684 20 0 FHADLP c1ccc(Oc2ccccc2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655702792 946114636 /nfs/dbraw/zinc/11/46/36/946114636.db2.gz AEALVUQDPJBRLI-HXUWFJFHSA-N 2 2 352.478 3.822 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453292 946122365 /nfs/dbraw/zinc/12/23/65/946122365.db2.gz BNGWLOWSWTWTNM-WAOWUJCRSA-N 2 2 356.510 3.790 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453292 946122369 /nfs/dbraw/zinc/12/23/69/946122369.db2.gz BNGWLOWSWTWTNM-WAOWUJCRSA-N 2 2 356.510 3.790 20 0 FHADLP CCOc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807148 946163722 /nfs/dbraw/zinc/16/37/22/946163722.db2.gz RSZVDXSMPYASPJ-UHFFFAOYSA-N 2 2 373.541 3.612 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302492850 946235308 /nfs/dbraw/zinc/23/53/08/946235308.db2.gz ZRKOEAMCYUYOAQ-MRXNPFEDSA-N 2 2 359.543 3.632 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302492850 946235322 /nfs/dbraw/zinc/23/53/22/946235322.db2.gz ZRKOEAMCYUYOAQ-MRXNPFEDSA-N 2 2 359.543 3.632 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C[NH3+] ZINC000520234903 946294335 /nfs/dbraw/zinc/29/43/35/946294335.db2.gz ITQWFMMZYRGVRS-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C[NH3+] ZINC000520234903 946294349 /nfs/dbraw/zinc/29/43/49/946294349.db2.gz ITQWFMMZYRGVRS-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C[NH3+] ZINC000520234902 946294926 /nfs/dbraw/zinc/29/49/26/946294926.db2.gz ITQWFMMZYRGVRS-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@@H]1C[NH3+] ZINC000520234902 946294940 /nfs/dbraw/zinc/29/49/40/946294940.db2.gz ITQWFMMZYRGVRS-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382221 946504954 /nfs/dbraw/zinc/50/49/54/946504954.db2.gz RAOGJZYKCRDESW-PKOBYXMFSA-N 2 2 356.514 3.524 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441366370 946513883 /nfs/dbraw/zinc/51/38/83/946513883.db2.gz SZRAVORQUNLWHW-NLWGTHIKSA-N 2 2 356.514 3.524 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402452 946557976 /nfs/dbraw/zinc/55/79/76/946557976.db2.gz HSDWMXWDEPLBGY-IRFCIJBXSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402452 946557986 /nfs/dbraw/zinc/55/79/86/946557986.db2.gz HSDWMXWDEPLBGY-IRFCIJBXSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000441402452 946557988 /nfs/dbraw/zinc/55/79/88/946557988.db2.gz HSDWMXWDEPLBGY-IRFCIJBXSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000441402452 946557992 /nfs/dbraw/zinc/55/79/92/946557992.db2.gz HSDWMXWDEPLBGY-IRFCIJBXSA-N 2 2 369.553 3.888 20 0 FHADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168058075 946595590 /nfs/dbraw/zinc/59/55/90/946595590.db2.gz AVBDVVYCJPAPCI-RMFSNUHRSA-N 3 2 352.526 3.964 20 0 FHADLP C[C@@H]1C[C@@H](n2c[nH+]cc2C2CC[NH2+]CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058075 946595600 /nfs/dbraw/zinc/59/56/00/946595600.db2.gz AVBDVVYCJPAPCI-RMFSNUHRSA-N 3 2 352.526 3.964 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719727 946642434 /nfs/dbraw/zinc/64/24/34/946642434.db2.gz WIWQZRSNJTWAOB-VGOFRKELSA-N 2 2 351.494 3.653 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500707 946690991 /nfs/dbraw/zinc/69/09/91/946690991.db2.gz NMOHRBKNMVGRBN-CYBMUJFWSA-N 2 2 361.852 3.596 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC([C@@H]4CCCCO4)CC3)C2)cc1 ZINC000661864845 946791172 /nfs/dbraw/zinc/79/11/72/946791172.db2.gz DLCWRQJTZVVWOL-GOTSBHOMSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC([C@@H]4CCCCO4)CC3)C2)cc1 ZINC000661864845 946791178 /nfs/dbraw/zinc/79/11/78/946791178.db2.gz DLCWRQJTZVVWOL-GOTSBHOMSA-N 2 2 372.553 3.559 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282015848 946911304 /nfs/dbraw/zinc/91/13/04/946911304.db2.gz JYKCKPNESCRRDS-QGZVFWFLSA-N 2 2 363.465 3.649 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282015848 946911308 /nfs/dbraw/zinc/91/13/08/946911308.db2.gz JYKCKPNESCRRDS-QGZVFWFLSA-N 2 2 363.465 3.649 20 0 FHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249086 946950703 /nfs/dbraw/zinc/95/07/03/946950703.db2.gz BTOACUWRBMELIR-HUUCEWRRSA-N 2 2 361.288 3.600 20 0 FHADLP Clc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000192925791 947107441 /nfs/dbraw/zinc/10/74/41/947107441.db2.gz PCDMOYZKAOKMKH-KRWDZBQOSA-N 2 2 354.885 3.599 20 0 FHADLP Clc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000192925791 947107449 /nfs/dbraw/zinc/10/74/49/947107449.db2.gz PCDMOYZKAOKMKH-KRWDZBQOSA-N 2 2 354.885 3.599 20 0 FHADLP C[C@H](Nc1cc[nH+]c2c(Br)cccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301188502 947224270 /nfs/dbraw/zinc/22/42/70/947224270.db2.gz KRXUCCROHPEXJE-STQMWFEESA-N 2 2 364.287 3.518 20 0 FHADLP Fc1ccc2c(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000301273163 947261383 /nfs/dbraw/zinc/26/13/83/947261383.db2.gz ODMFGWWEXLBJEU-NRFANRHFSA-N 2 2 351.425 3.859 20 0 FHADLP Clc1ccc2[nH+]ccc(NC[C@@]3([NH+]4CCOCC4)CCSC3)c2c1 ZINC000301299009 947272148 /nfs/dbraw/zinc/27/21/48/947272148.db2.gz UCOGEZPOEPZBTH-SFHVURJKSA-N 2 2 363.914 3.508 20 0 FHADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000523445495 947274990 /nfs/dbraw/zinc/27/49/90/947274990.db2.gz LMLIJILGTQBPNV-IOJLRTSASA-N 2 2 361.574 3.506 20 0 FHADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000523445495 947274982 /nfs/dbraw/zinc/27/49/82/947274982.db2.gz LMLIJILGTQBPNV-IOJLRTSASA-N 2 2 361.574 3.506 20 0 FHADLP C[C@H]([C@H](C)Nc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCOCC1 ZINC000301323568 947285858 /nfs/dbraw/zinc/28/58/58/947285858.db2.gz WDTROOHKIRBNGJ-QWHCGFSZSA-N 2 2 364.287 3.518 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000301387689 947321722 /nfs/dbraw/zinc/32/17/22/947321722.db2.gz WSPUMDDLIKGHSK-QGZVFWFLSA-N 2 2 367.493 3.866 20 0 FHADLP CC[NH+](CC)CCCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000188199570 947425817 /nfs/dbraw/zinc/42/58/17/947425817.db2.gz GJTODKIKAGPCBO-UHFFFAOYSA-N 2 2 373.570 3.687 20 0 FHADLP Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1Cl ZINC000662256980 947675724 /nfs/dbraw/zinc/67/57/24/947675724.db2.gz KXCSNCMPIDXRSH-HXUWFJFHSA-N 2 2 360.860 3.698 20 0 FHADLP Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1Cl ZINC000662256980 947675727 /nfs/dbraw/zinc/67/57/27/947675727.db2.gz KXCSNCMPIDXRSH-HXUWFJFHSA-N 2 2 360.860 3.698 20 0 FHADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662290088 947711596 /nfs/dbraw/zinc/71/15/96/947711596.db2.gz IPXXEOAYPXVYPE-KRWDZBQOSA-N 2 2 363.933 3.607 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365161 947763066 /nfs/dbraw/zinc/76/30/66/947763066.db2.gz PTCKEXOJDYDFDB-KDOFPFPSSA-N 2 2 370.522 3.548 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365161 947763074 /nfs/dbraw/zinc/76/30/74/947763074.db2.gz PTCKEXOJDYDFDB-KDOFPFPSSA-N 2 2 370.522 3.548 20 0 FHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984915 947765993 /nfs/dbraw/zinc/76/59/93/947765993.db2.gz BTPGEGIYCDCVME-HNNXBMFYSA-N 2 2 365.308 3.823 20 0 FHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N2CCCC2=O)cc1 ZINC000162909039 947808686 /nfs/dbraw/zinc/80/86/86/947808686.db2.gz VOJCJYYGZLBINH-QGZVFWFLSA-N 2 2 352.482 3.751 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c[nH+]1 ZINC000459071091 948029701 /nfs/dbraw/zinc/02/97/01/948029701.db2.gz GRRJSKGYCKSAOM-IBGZPJMESA-N 2 2 372.557 3.885 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c[nH+]1 ZINC000459071091 948029708 /nfs/dbraw/zinc/02/97/08/948029708.db2.gz GRRJSKGYCKSAOM-IBGZPJMESA-N 2 2 372.557 3.885 20 0 FHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459107646 948175774 /nfs/dbraw/zinc/17/57/74/948175774.db2.gz DPOVWKMEDDZLOZ-UHFFFAOYSA-N 2 2 374.554 3.814 20 0 FHADLP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045626 948297051 /nfs/dbraw/zinc/29/70/51/948297051.db2.gz NUMPEZXBHRXQRQ-IEBWSBKVSA-N 3 2 372.582 3.595 20 0 FHADLP COc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(Br)c1 ZINC000512050430 948305889 /nfs/dbraw/zinc/30/58/89/948305889.db2.gz CKEPYSKUSGOENV-UHFFFAOYSA-N 2 2 372.266 3.933 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000512070469 948354650 /nfs/dbraw/zinc/35/46/50/948354650.db2.gz FYHKRTSKUYOPJT-KRWDZBQOSA-N 2 2 365.518 3.927 20 0 FHADLP COc1ccc2oc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)c(C)c2c1 ZINC000432411970 948359691 /nfs/dbraw/zinc/35/96/91/948359691.db2.gz DAMYXXZVIPXJSQ-NVXWUHKLSA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc2oc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)c(C)c2c1 ZINC000432411970 948359700 /nfs/dbraw/zinc/35/97/00/948359700.db2.gz DAMYXXZVIPXJSQ-NVXWUHKLSA-N 2 2 360.498 3.901 20 0 FHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432421704 948381575 /nfs/dbraw/zinc/38/15/75/948381575.db2.gz AWRACTOYJYSVMY-CRAIPNDOSA-N 2 2 369.347 3.991 20 0 FHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432421704 948381582 /nfs/dbraw/zinc/38/15/82/948381582.db2.gz AWRACTOYJYSVMY-CRAIPNDOSA-N 2 2 369.347 3.991 20 0 FHADLP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432421074 948382046 /nfs/dbraw/zinc/38/20/46/948382046.db2.gz FNUJELXHWLLEDN-WMZHIEFXSA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432421074 948382055 /nfs/dbraw/zinc/38/20/55/948382055.db2.gz FNUJELXHWLLEDN-WMZHIEFXSA-N 2 2 368.521 3.875 20 0 FHADLP Cc1cc(CO)cc(NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH+]1 ZINC000663657941 948475774 /nfs/dbraw/zinc/47/57/74/948475774.db2.gz NJTRUUIMWXHRJE-UHFFFAOYSA-N 2 2 351.450 3.719 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110313 948494035 /nfs/dbraw/zinc/49/40/35/948494035.db2.gz ZVPBWGVUNLBPNU-WBVHZDCISA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110313 948494043 /nfs/dbraw/zinc/49/40/43/948494043.db2.gz ZVPBWGVUNLBPNU-WBVHZDCISA-N 2 2 370.324 3.929 20 0 FHADLP COc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000500450429 948663134 /nfs/dbraw/zinc/66/31/34/948663134.db2.gz GMUANSJPMBJOBA-UHFFFAOYSA-N 2 2 373.928 3.651 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000536471144 948700585 /nfs/dbraw/zinc/70/05/85/948700585.db2.gz JOHMVRVLCFXDEA-INIZCTEOSA-N 2 2 367.280 3.601 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000536471144 948700587 /nfs/dbraw/zinc/70/05/87/948700587.db2.gz JOHMVRVLCFXDEA-INIZCTEOSA-N 2 2 367.280 3.601 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000512183680 948717332 /nfs/dbraw/zinc/71/73/32/948717332.db2.gz VZWLOZVOBHKOHW-LJQANCHMSA-N 2 2 358.526 3.792 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000512183680 948717339 /nfs/dbraw/zinc/71/73/39/948717339.db2.gz VZWLOZVOBHKOHW-LJQANCHMSA-N 2 2 358.526 3.792 20 0 FHADLP CN1CC[NH+](CCCCNc2cc(C(C)(C)C)[nH+]c(C(C)(C)C)n2)CC1 ZINC000532883700 517185676 /nfs/dbraw/zinc/18/56/76/517185676.db2.gz SXIDWHAYJVLDCK-UHFFFAOYSA-N 2 2 361.578 3.511 20 0 FHADLP CC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629707453 522409246 /nfs/dbraw/zinc/40/92/46/522409246.db2.gz LPAZYVCPQOLSFQ-OAQYLSRUSA-N 2 2 369.509 3.544 20 0 FHADLP CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629707453 522409259 /nfs/dbraw/zinc/40/92/59/522409259.db2.gz LPAZYVCPQOLSFQ-OAQYLSRUSA-N 2 2 369.509 3.544 20 0 FHADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194441 567949486 /nfs/dbraw/zinc/94/94/86/567949486.db2.gz IJKVLPVHYGWFQX-NRFANRHFSA-N 2 2 369.553 3.633 20 0 FHADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194441 567949487 /nfs/dbraw/zinc/94/94/87/567949487.db2.gz IJKVLPVHYGWFQX-NRFANRHFSA-N 2 2 369.553 3.633 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000162309591 567997710 /nfs/dbraw/zinc/99/77/10/567997710.db2.gz WSJTUYBKVILDCM-FTRWYGJKSA-N 2 2 357.473 3.791 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000162309591 567997711 /nfs/dbraw/zinc/99/77/11/567997711.db2.gz WSJTUYBKVILDCM-FTRWYGJKSA-N 2 2 357.473 3.791 20 0 FHADLP Clc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000066403570 568066992 /nfs/dbraw/zinc/06/69/92/568066992.db2.gz NJBTVOVTZAJROT-UHFFFAOYSA-N 2 2 372.896 3.865 20 0 FHADLP c1sc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517351 568111859 /nfs/dbraw/zinc/11/18/59/568111859.db2.gz QUECRORXFZFUBY-LJQANCHMSA-N 2 2 357.523 3.543 20 0 FHADLP Cc1cc(NCCC[NH+]2CCOCC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881840 568383912 /nfs/dbraw/zinc/38/39/12/568383912.db2.gz MUYYHYLSWIRSOQ-UHFFFAOYSA-N 2 2 369.387 3.576 20 0 FHADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313600 568484562 /nfs/dbraw/zinc/48/45/62/568484562.db2.gz CHCUMMJPECKCAV-NHCUHLMSSA-N 2 2 357.542 3.717 20 0 FHADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313600 568484563 /nfs/dbraw/zinc/48/45/63/568484563.db2.gz CHCUMMJPECKCAV-NHCUHLMSSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313600 568484565 /nfs/dbraw/zinc/48/45/65/568484565.db2.gz CHCUMMJPECKCAV-NHCUHLMSSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313600 568484566 /nfs/dbraw/zinc/48/45/66/568484566.db2.gz CHCUMMJPECKCAV-NHCUHLMSSA-N 2 2 357.542 3.717 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@H]1CC[NH2+]C1 ZINC000328651018 571326097 /nfs/dbraw/zinc/32/60/97/571326097.db2.gz VTORPYMRAWBRDT-KRWDZBQOSA-N 2 2 352.507 3.611 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc2ncccc2c1)C[C@H]1CC[NH2+]C1 ZINC000328651018 571326098 /nfs/dbraw/zinc/32/60/98/571326098.db2.gz VTORPYMRAWBRDT-KRWDZBQOSA-N 2 2 352.507 3.611 20 0 FHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(C4CC4)[nH+]3)CC[C@@H]21 ZINC001164839478 720640330 /nfs/dbraw/zinc/64/03/30/720640330.db2.gz NKFAWSZAAAPQEG-ZJOUEHCJSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(C4CC4)[nH+]3)CC[C@@H]21 ZINC001164839478 720640342 /nfs/dbraw/zinc/64/03/42/720640342.db2.gz NKFAWSZAAAPQEG-ZJOUEHCJSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001164862949 721008397 /nfs/dbraw/zinc/00/83/97/721008397.db2.gz SAJIUILQHDOEMX-INIZCTEOSA-N 2 2 370.545 3.700 20 0 FHADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001164862949 721008403 /nfs/dbraw/zinc/00/84/03/721008403.db2.gz SAJIUILQHDOEMX-INIZCTEOSA-N 2 2 370.545 3.700 20 0 FHADLP COc1cc(C)c[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795503 721498749 /nfs/dbraw/zinc/49/87/49/721498749.db2.gz JIDHMLBTGCEVNJ-UHFFFAOYSA-N 2 2 366.509 3.675 20 0 FHADLP COc1cc(C)c[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795503 721498751 /nfs/dbraw/zinc/49/87/51/721498751.db2.gz JIDHMLBTGCEVNJ-UHFFFAOYSA-N 2 2 366.509 3.675 20 0 FHADLP C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc[nH+]2)C1 ZINC001165048110 721977530 /nfs/dbraw/zinc/97/75/30/721977530.db2.gz JALZDDZPWWJNQZ-RBUKOAKNSA-N 2 2 357.546 3.558 20 0 FHADLP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657720400 936384839 /nfs/dbraw/zinc/38/48/39/936384839.db2.gz DJPSHFAMZRURDT-HXUWFJFHSA-N 2 2 364.537 3.974 20 0 FHADLP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657720400 936384845 /nfs/dbraw/zinc/38/48/45/936384845.db2.gz DJPSHFAMZRURDT-HXUWFJFHSA-N 2 2 364.537 3.974 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000426169809 945069157 /nfs/dbraw/zinc/06/91/57/945069157.db2.gz IPEVLZIJIMHQNU-GHTZIAJQSA-N 2 2 368.521 3.976 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1O ZINC000426169809 945069168 /nfs/dbraw/zinc/06/91/68/945069168.db2.gz IPEVLZIJIMHQNU-GHTZIAJQSA-N 2 2 368.521 3.976 20 0 FHADLP C[N@H+](Cc1cc(-c2cccs2)on1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440656 937092170 /nfs/dbraw/zinc/09/21/70/937092170.db2.gz HNMPPIGLBRTBCI-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP C[N@@H+](Cc1cc(-c2cccs2)on1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440656 937092173 /nfs/dbraw/zinc/09/21/73/937092173.db2.gz HNMPPIGLBRTBCI-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000153841790 937120896 /nfs/dbraw/zinc/12/08/96/937120896.db2.gz JPJCGLCQVMKIND-FTRWYGJKSA-N 2 2 357.473 3.791 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1F ZINC000153841790 937120899 /nfs/dbraw/zinc/12/08/99/937120899.db2.gz JPJCGLCQVMKIND-FTRWYGJKSA-N 2 2 357.473 3.791 20 0 FHADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246881684 927980384 /nfs/dbraw/zinc/98/03/84/927980384.db2.gz LTTJWGZJQIQOON-BSIFCXSSSA-N 2 2 351.494 3.583 20 0 FHADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246881684 927980388 /nfs/dbraw/zinc/98/03/88/927980388.db2.gz LTTJWGZJQIQOON-BSIFCXSSSA-N 2 2 351.494 3.583 20 0 FHADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246881684 927980391 /nfs/dbraw/zinc/98/03/91/927980391.db2.gz LTTJWGZJQIQOON-BSIFCXSSSA-N 2 2 351.494 3.583 20 0 FHADLP C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246881684 927980401 /nfs/dbraw/zinc/98/04/01/927980401.db2.gz LTTJWGZJQIQOON-BSIFCXSSSA-N 2 2 351.494 3.583 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471187470 928744751 /nfs/dbraw/zinc/74/47/51/928744751.db2.gz QMYQATUZWWCPCN-SQWLQELKSA-N 2 2 360.889 3.508 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471187470 928744760 /nfs/dbraw/zinc/74/47/60/928744760.db2.gz QMYQATUZWWCPCN-SQWLQELKSA-N 2 2 360.889 3.508 20 0 FHADLP CC(=O)N(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)c1ccccc1 ZINC000535981369 937302805 /nfs/dbraw/zinc/30/28/05/937302805.db2.gz YUCAKNIEKXKGAD-UHFFFAOYSA-N 2 2 372.538 3.601 20 0 FHADLP C[C@H](c1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000547733734 929099626 /nfs/dbraw/zinc/09/96/26/929099626.db2.gz FCVZOAYICNZLLC-GOSISDBHSA-N 2 2 373.541 3.673 20 0 FHADLP C[C@H](c1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000547733734 929099634 /nfs/dbraw/zinc/09/96/34/929099634.db2.gz FCVZOAYICNZLLC-GOSISDBHSA-N 2 2 373.541 3.673 20 0 FHADLP COCCC[N@@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209055943 929216824 /nfs/dbraw/zinc/21/68/24/929216824.db2.gz JTMISMHYWNFVFC-UHFFFAOYSA-N 2 2 350.506 3.820 20 0 FHADLP COCCC[N@H+]1CCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC001209055943 929216836 /nfs/dbraw/zinc/21/68/36/929216836.db2.gz JTMISMHYWNFVFC-UHFFFAOYSA-N 2 2 350.506 3.820 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233867 929407620 /nfs/dbraw/zinc/40/76/20/929407620.db2.gz GGYBBDONYXDDCU-AVCGJXAMSA-N 2 2 371.569 3.696 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233867 929407623 /nfs/dbraw/zinc/40/76/23/929407623.db2.gz GGYBBDONYXDDCU-AVCGJXAMSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233867 929407629 /nfs/dbraw/zinc/40/76/29/929407629.db2.gz GGYBBDONYXDDCU-AVCGJXAMSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233867 929407636 /nfs/dbraw/zinc/40/76/36/929407636.db2.gz GGYBBDONYXDDCU-AVCGJXAMSA-N 2 2 371.569 3.696 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154880295 929446158 /nfs/dbraw/zinc/44/61/58/929446158.db2.gz FEWUDMXMQOFUOF-CYBMUJFWSA-N 2 2 374.497 3.771 20 0 FHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1F ZINC000180302690 929453528 /nfs/dbraw/zinc/45/35/28/929453528.db2.gz AWPDIRQPFVSDSC-NRFANRHFSA-N 2 2 372.484 3.778 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000079923530 929580344 /nfs/dbraw/zinc/58/03/44/929580344.db2.gz KTKVAYYIDSRYOL-UHFFFAOYSA-N 2 2 371.916 3.968 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000657752314 937351036 /nfs/dbraw/zinc/35/10/36/937351036.db2.gz YPJLAFCIVIASPO-SFHVURJKSA-N 2 2 358.457 3.737 20 0 FHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335830 930519290 /nfs/dbraw/zinc/51/92/90/930519290.db2.gz MOCPNUAZUOJDFS-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335830 930519298 /nfs/dbraw/zinc/51/92/98/930519298.db2.gz MOCPNUAZUOJDFS-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335830 930519303 /nfs/dbraw/zinc/51/93/03/930519303.db2.gz MOCPNUAZUOJDFS-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335830 930519311 /nfs/dbraw/zinc/51/93/11/930519311.db2.gz MOCPNUAZUOJDFS-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580444642 930685874 /nfs/dbraw/zinc/68/58/74/930685874.db2.gz OMLHAUICEKTLDG-UHFFFAOYSA-N 2 2 366.278 3.932 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC000580444642 930685878 /nfs/dbraw/zinc/68/58/78/930685878.db2.gz OMLHAUICEKTLDG-UHFFFAOYSA-N 2 2 366.278 3.932 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000656253417 930876883 /nfs/dbraw/zinc/87/68/83/930876883.db2.gz LPTXBLODJPXCLJ-NRFANRHFSA-N 2 2 352.526 3.939 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000656253417 930876890 /nfs/dbraw/zinc/87/68/90/930876890.db2.gz LPTXBLODJPXCLJ-NRFANRHFSA-N 2 2 352.526 3.939 20 0 FHADLP Brc1c[nH+]ccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000548152548 931480365 /nfs/dbraw/zinc/48/03/65/931480365.db2.gz KLHVEOIIBYVKJD-UHFFFAOYSA-N 2 2 374.326 3.989 20 0 FHADLP Brc1c[nH+]ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000548152548 931480368 /nfs/dbraw/zinc/48/03/68/931480368.db2.gz KLHVEOIIBYVKJD-UHFFFAOYSA-N 2 2 374.326 3.989 20 0 FHADLP CC[N@H+](C[C@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000581134722 931606106 /nfs/dbraw/zinc/60/61/06/931606106.db2.gz YKMHDTWYZSSKJY-FQEVSTJZSA-N 3 2 370.516 3.502 20 0 FHADLP CC[N@@H+](C[C@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000581134722 931606112 /nfs/dbraw/zinc/60/61/12/931606112.db2.gz YKMHDTWYZSSKJY-FQEVSTJZSA-N 3 2 370.516 3.502 20 0 FHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000581221112 931696755 /nfs/dbraw/zinc/69/67/55/931696755.db2.gz WGKDOKCPXKMCRO-IBGZPJMESA-N 2 2 372.900 3.549 20 0 FHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000581221112 931696758 /nfs/dbraw/zinc/69/67/58/931696758.db2.gz WGKDOKCPXKMCRO-IBGZPJMESA-N 2 2 372.900 3.549 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430548568 931781844 /nfs/dbraw/zinc/78/18/44/931781844.db2.gz MCBKBQMZOQGDHR-OKZBNKHCSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430548568 931781850 /nfs/dbraw/zinc/78/18/50/931781850.db2.gz MCBKBQMZOQGDHR-OKZBNKHCSA-N 2 2 367.493 3.865 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430576040 931924807 /nfs/dbraw/zinc/92/48/07/931924807.db2.gz WUNSFPVDHYQOCZ-LBPRGKRZSA-N 2 2 358.313 3.642 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000124067302 932130689 /nfs/dbraw/zinc/13/06/89/932130689.db2.gz PBTOUVXQFSFUPY-NQIIRXRSSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000124067302 932130694 /nfs/dbraw/zinc/13/06/94/932130694.db2.gz PBTOUVXQFSFUPY-NQIIRXRSSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067302 932130697 /nfs/dbraw/zinc/13/06/97/932130697.db2.gz PBTOUVXQFSFUPY-NQIIRXRSSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067302 932130702 /nfs/dbraw/zinc/13/07/02/932130702.db2.gz PBTOUVXQFSFUPY-NQIIRXRSSA-N 2 2 352.526 3.633 20 0 FHADLP O=C1C[C@@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)Oc2ccccc21 ZINC000625801019 932474457 /nfs/dbraw/zinc/47/44/57/932474457.db2.gz PAOOYEQYNCICIG-HSZRJFAPSA-N 2 2 373.456 3.872 20 0 FHADLP O=C1C[C@@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)Oc2ccccc21 ZINC000625801019 932474463 /nfs/dbraw/zinc/47/44/63/932474463.db2.gz PAOOYEQYNCICIG-HSZRJFAPSA-N 2 2 373.456 3.872 20 0 FHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1C(C)(C)C ZINC000276558504 932675210 /nfs/dbraw/zinc/67/52/10/932675210.db2.gz RRFCZFFSDFYSOL-QAPCUYQASA-N 2 2 370.545 3.655 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156447210 932962663 /nfs/dbraw/zinc/96/26/63/932962663.db2.gz CBZWTIRRDJZIHB-CJNGLKHVSA-N 2 2 357.845 3.670 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156447210 932962670 /nfs/dbraw/zinc/96/26/70/932962670.db2.gz CBZWTIRRDJZIHB-CJNGLKHVSA-N 2 2 357.845 3.670 20 0 FHADLP C[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276920947 933993170 /nfs/dbraw/zinc/99/31/70/933993170.db2.gz MMIUVWKMHOXQDW-BZUAXINKSA-N 2 2 351.454 3.915 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587951 934100166 /nfs/dbraw/zinc/10/01/66/934100166.db2.gz MHGDTTQXANVXMS-TZIWHRDSSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587951 934100185 /nfs/dbraw/zinc/10/01/85/934100185.db2.gz MHGDTTQXANVXMS-TZIWHRDSSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587951 934100190 /nfs/dbraw/zinc/10/01/90/934100190.db2.gz MHGDTTQXANVXMS-TZIWHRDSSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587951 934100195 /nfs/dbraw/zinc/10/01/95/934100195.db2.gz MHGDTTQXANVXMS-TZIWHRDSSA-N 2 2 356.558 3.768 20 0 FHADLP CC(C)(C)OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936129 934186856 /nfs/dbraw/zinc/18/68/56/934186856.db2.gz LDKUSDGQJQJVFP-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP CC(C)(C)OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936129 934186860 /nfs/dbraw/zinc/18/68/60/934186860.db2.gz LDKUSDGQJQJVFP-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP Cc1cn2cc(NC(=O)NCC3CC[NH+](CCC(C)C)CC3)ccc2[nH+]1 ZINC000431203299 934196277 /nfs/dbraw/zinc/19/62/77/934196277.db2.gz AKSYFZYYQUMFEY-UHFFFAOYSA-N 2 2 357.502 3.522 20 0 FHADLP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(OC(F)F)cc1C ZINC000535805505 934410791 /nfs/dbraw/zinc/41/07/91/934410791.db2.gz BAGMQIKUJDXQGS-ZHALLVOQSA-N 2 2 368.468 3.588 20 0 FHADLP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(OC(F)F)cc1C ZINC000535805505 934410795 /nfs/dbraw/zinc/41/07/95/934410795.db2.gz BAGMQIKUJDXQGS-ZHALLVOQSA-N 2 2 368.468 3.588 20 0 FHADLP CCn1nc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc21 ZINC000472036017 934865574 /nfs/dbraw/zinc/86/55/74/934865574.db2.gz VVGYWVKKHBPTRJ-UHFFFAOYSA-N 2 2 359.477 3.633 20 0 FHADLP Fc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345579 934932237 /nfs/dbraw/zinc/93/22/37/934932237.db2.gz LHDYCTXHHWKSHY-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345579 934932242 /nfs/dbraw/zinc/93/22/42/934932242.db2.gz LHDYCTXHHWKSHY-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP CC[N@@H+](Cc1ccnn1C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088643 934966900 /nfs/dbraw/zinc/96/69/00/934966900.db2.gz HZEFPBCRWRVXEW-UHFFFAOYSA-N 2 2 353.514 3.742 20 0 FHADLP CC[N@H+](Cc1ccnn1C1CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088643 934966904 /nfs/dbraw/zinc/96/69/04/934966904.db2.gz HZEFPBCRWRVXEW-UHFFFAOYSA-N 2 2 353.514 3.742 20 0 FHADLP CCn1nc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000472079673 934969039 /nfs/dbraw/zinc/96/90/39/934969039.db2.gz JABXSISSISALTC-FQEVSTJZSA-N 2 2 362.521 3.710 20 0 FHADLP CCn1nc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000472079673 934969042 /nfs/dbraw/zinc/96/90/42/934969042.db2.gz JABXSISSISALTC-FQEVSTJZSA-N 2 2 362.521 3.710 20 0 FHADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657294698 934985838 /nfs/dbraw/zinc/98/58/38/934985838.db2.gz DDCQLBJZMISBDR-IRXDYDNUSA-N 2 2 373.472 3.602 20 0 FHADLP Cc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000582016270 935065370 /nfs/dbraw/zinc/06/53/70/935065370.db2.gz QOQHFWIMBWJMJI-UHFFFAOYSA-N 2 2 372.538 3.511 20 0 FHADLP CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657330797 935241098 /nfs/dbraw/zinc/24/10/98/935241098.db2.gz ACMRIFWOQJQMOJ-UHFFFAOYSA-N 2 2 363.465 3.542 20 0 FHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657362595 935368777 /nfs/dbraw/zinc/36/87/77/935368777.db2.gz XWCPSMDBWQELBC-FYYLOGMGSA-N 2 2 366.505 3.609 20 0 FHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657362595 935368783 /nfs/dbraw/zinc/36/87/83/935368783.db2.gz XWCPSMDBWQELBC-FYYLOGMGSA-N 2 2 366.505 3.609 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363861 935378568 /nfs/dbraw/zinc/37/85/68/935378568.db2.gz QCTWAPWECXHLDK-JXFKEZNVSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363861 935378576 /nfs/dbraw/zinc/37/85/76/935378576.db2.gz QCTWAPWECXHLDK-JXFKEZNVSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388432 935506219 /nfs/dbraw/zinc/50/62/19/935506219.db2.gz KZROVMDFROGLHV-ZBFHGGJFSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388432 935506220 /nfs/dbraw/zinc/50/62/20/935506220.db2.gz KZROVMDFROGLHV-ZBFHGGJFSA-N 2 2 366.431 3.582 20 0 FHADLP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000647250322 935624395 /nfs/dbraw/zinc/62/43/95/935624395.db2.gz YJTUUJCQBNDGMR-JOCHJYFZSA-N 2 2 374.475 3.685 20 0 FHADLP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000375698255 935630363 /nfs/dbraw/zinc/63/03/63/935630363.db2.gz RLXGRSNWCKDAPK-GOSISDBHSA-N 2 2 353.466 3.524 20 0 FHADLP CC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000375698255 935630365 /nfs/dbraw/zinc/63/03/65/935630365.db2.gz RLXGRSNWCKDAPK-GOSISDBHSA-N 2 2 353.466 3.524 20 0 FHADLP Fc1cccc(N2CCCC2)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000127781235 935787938 /nfs/dbraw/zinc/78/79/38/935787938.db2.gz KSHVSCIZLUWLAQ-UHFFFAOYSA-N 2 2 350.441 3.901 20 0 FHADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000125255479 935817102 /nfs/dbraw/zinc/81/71/02/935817102.db2.gz PTUPXHNMCRBAJT-UHFFFAOYSA-N 2 2 352.482 3.749 20 0 FHADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000125255479 935817105 /nfs/dbraw/zinc/81/71/05/935817105.db2.gz PTUPXHNMCRBAJT-UHFFFAOYSA-N 2 2 352.482 3.749 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000684953820 935898883 /nfs/dbraw/zinc/89/88/83/935898883.db2.gz MLFONEFSDVFAGL-SFHVURJKSA-N 2 2 357.461 3.968 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000684958469 935904114 /nfs/dbraw/zinc/90/41/14/935904114.db2.gz ZYTNVZIJZJGMMJ-BURNTYAHSA-N 2 2 353.510 3.889 20 0 FHADLP CCc1cnc(C[N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000093807750 945134252 /nfs/dbraw/zinc/13/42/52/945134252.db2.gz HIDBNVPYSCWBOG-UHFFFAOYSA-N 2 2 359.539 3.812 20 0 FHADLP CCc1cnc(C[N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000093807750 945134257 /nfs/dbraw/zinc/13/42/57/945134257.db2.gz HIDBNVPYSCWBOG-UHFFFAOYSA-N 2 2 359.539 3.812 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000582704095 935965153 /nfs/dbraw/zinc/96/51/53/935965153.db2.gz JYDFEHHRVIXRKM-DNVCBOLYSA-N 2 2 352.482 3.649 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000582704095 935965155 /nfs/dbraw/zinc/96/51/55/935965155.db2.gz JYDFEHHRVIXRKM-DNVCBOLYSA-N 2 2 352.482 3.649 20 0 FHADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582754102 936078475 /nfs/dbraw/zinc/07/84/75/936078475.db2.gz LAXOLKCNHINATD-IEBWSBKVSA-N 2 2 352.869 3.889 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266028 936174105 /nfs/dbraw/zinc/17/41/05/936174105.db2.gz ZZPCWCMRDHMQRV-KRWDZBQOSA-N 2 2 363.527 3.644 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266028 936174107 /nfs/dbraw/zinc/17/41/07/936174107.db2.gz ZZPCWCMRDHMQRV-KRWDZBQOSA-N 2 2 363.527 3.644 20 0 FHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514206 938288583 /nfs/dbraw/zinc/28/85/83/938288583.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 2 363.549 3.858 20 0 FHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514206 938288585 /nfs/dbraw/zinc/28/85/85/938288585.db2.gz NHZNFBNHCCKTKG-FOVJLYNBSA-N 2 2 363.549 3.858 20 0 FHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582922 938309757 /nfs/dbraw/zinc/30/97/57/938309757.db2.gz JWMJGOFJSCLZSM-GJZGRUSLSA-N 2 2 363.502 3.854 20 0 FHADLP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582922 938309758 /nfs/dbraw/zinc/30/97/58/938309758.db2.gz JWMJGOFJSCLZSM-GJZGRUSLSA-N 2 2 363.502 3.854 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692865 938363241 /nfs/dbraw/zinc/36/32/41/938363241.db2.gz JYSYCSMCEYVALB-JJEXOMBSSA-N 2 2 374.594 3.853 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692865 938363243 /nfs/dbraw/zinc/36/32/43/938363243.db2.gz JYSYCSMCEYVALB-JJEXOMBSSA-N 2 2 374.594 3.853 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692866 938363313 /nfs/dbraw/zinc/36/33/13/938363313.db2.gz JYSYCSMCEYVALB-MAUQACMESA-N 2 2 374.594 3.853 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692866 938363318 /nfs/dbraw/zinc/36/33/18/938363318.db2.gz JYSYCSMCEYVALB-MAUQACMESA-N 2 2 374.594 3.853 20 0 FHADLP FC(F)(F)COc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000151103520 938363670 /nfs/dbraw/zinc/36/36/70/938363670.db2.gz QWYMJJPOKOWZKU-UHFFFAOYSA-N 2 2 371.447 3.909 20 0 FHADLP Brc1cccc2c1OCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151126892 938388006 /nfs/dbraw/zinc/38/80/06/938388006.db2.gz XVMCAIIEDRCVAO-OAHLLOKOSA-N 2 2 350.260 3.539 20 0 FHADLP Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000130353574 938405731 /nfs/dbraw/zinc/40/57/31/938405731.db2.gz LCRPZIKLFBINQD-SFHVURJKSA-N 2 2 354.494 3.846 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158072833 938472149 /nfs/dbraw/zinc/47/21/49/938472149.db2.gz WXMHFQWQAATNFJ-SQMBMXPBSA-N 2 2 365.521 3.802 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158072833 938472150 /nfs/dbraw/zinc/47/21/50/938472150.db2.gz WXMHFQWQAATNFJ-SQMBMXPBSA-N 2 2 365.521 3.802 20 0 FHADLP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000151355843 938533388 /nfs/dbraw/zinc/53/33/88/938533388.db2.gz WJACZOVXLKWFKM-ZDUSSCGKSA-N 2 2 363.354 3.869 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)OCCCO2 ZINC000151361685 938534643 /nfs/dbraw/zinc/53/46/43/938534643.db2.gz ACPSCDRBICMBAN-KRWDZBQOSA-N 2 2 363.461 3.944 20 0 FHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(C(=O)Nc4ccccc4)CC3)CC2)C1 ZINC000427986989 938557103 /nfs/dbraw/zinc/55/71/03/938557103.db2.gz IQVSOSOPFLYKMF-YLJYHZDGSA-N 2 2 355.526 3.790 20 0 FHADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000089667810 938862660 /nfs/dbraw/zinc/86/26/60/938862660.db2.gz BUFCWFHMWBIXFE-QFIPXVFZSA-N 2 2 356.485 3.810 20 0 FHADLP FC(F)COc1ncccc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090942412 938879334 /nfs/dbraw/zinc/87/93/34/938879334.db2.gz SOXDJSVYTVOWPC-UHFFFAOYSA-N 2 2 353.457 3.612 20 0 FHADLP COc1cccc(C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000090881855 938884109 /nfs/dbraw/zinc/88/41/09/938884109.db2.gz KOAJHHJWZRNIEP-NRFANRHFSA-N 2 2 351.494 3.670 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000092073781 938910953 /nfs/dbraw/zinc/91/09/53/938910953.db2.gz DBCDAQAXJYEFHK-CQSZACIVSA-N 2 2 351.397 3.789 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000092073781 938910954 /nfs/dbraw/zinc/91/09/54/938910954.db2.gz DBCDAQAXJYEFHK-CQSZACIVSA-N 2 2 351.397 3.789 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@H+](CC4CC4)C3)cc2cc1OC ZINC000657875655 938964625 /nfs/dbraw/zinc/96/46/25/938964625.db2.gz HQBWFFOWDGRTDA-YWZLYKJASA-N 2 2 354.494 3.992 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@H]3CC[N@@H+](CC4CC4)C3)cc2cc1OC ZINC000657875655 938964626 /nfs/dbraw/zinc/96/46/26/938964626.db2.gz HQBWFFOWDGRTDA-YWZLYKJASA-N 2 2 354.494 3.992 20 0 FHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1Cl ZINC000685454784 938988194 /nfs/dbraw/zinc/98/81/94/938988194.db2.gz PMNXCBPMQUQOPE-UHFFFAOYSA-N 2 2 362.320 3.590 20 0 FHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1Cl ZINC000685454784 938988195 /nfs/dbraw/zinc/98/81/95/938988195.db2.gz PMNXCBPMQUQOPE-UHFFFAOYSA-N 2 2 362.320 3.590 20 0 FHADLP C[NH+](C)CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000685459570 938989240 /nfs/dbraw/zinc/98/92/40/938989240.db2.gz KNQGEOGEWXBIEU-UHFFFAOYSA-N 3 2 370.541 3.516 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+]C[C@]3([NH+](C)C)CCSC3)cc2cc1OC ZINC000657898466 938993036 /nfs/dbraw/zinc/99/30/36/938993036.db2.gz OPHBQANZKZUSCZ-QVKFZJNVSA-N 2 2 374.550 3.945 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080339193 939000407 /nfs/dbraw/zinc/00/04/07/939000407.db2.gz MRKNNWNTFKEDKG-YLJYHZDGSA-N 2 2 354.494 3.847 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080339193 939000408 /nfs/dbraw/zinc/00/04/08/939000408.db2.gz MRKNNWNTFKEDKG-YLJYHZDGSA-N 2 2 354.494 3.847 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2cc1OC ZINC000658019750 939018972 /nfs/dbraw/zinc/01/89/72/939018972.db2.gz PGFZDRHBDBVGHY-SUMWQHHRSA-N 2 2 351.450 3.788 20 0 FHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnc(C(F)(F)F)nc3)CC2)C1 ZINC000658079086 939021242 /nfs/dbraw/zinc/02/12/42/939021242.db2.gz OLRXISCIJMRFJQ-XJKSGUPXSA-N 2 2 356.436 3.628 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090571 939022255 /nfs/dbraw/zinc/02/22/55/939022255.db2.gz HWATXUSHLXHTKG-KBPBESRZSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090571 939022256 /nfs/dbraw/zinc/02/22/56/939022256.db2.gz HWATXUSHLXHTKG-KBPBESRZSA-N 2 2 371.447 3.885 20 0 FHADLP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138792 939041666 /nfs/dbraw/zinc/04/16/66/939041666.db2.gz OFHVSSBATIZMFX-LEWJYISDSA-N 2 2 374.475 3.609 20 0 FHADLP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138792 939041681 /nfs/dbraw/zinc/04/16/81/939041681.db2.gz OFHVSSBATIZMFX-LEWJYISDSA-N 2 2 374.475 3.609 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229584 939075232 /nfs/dbraw/zinc/07/52/32/939075232.db2.gz RZMYJXNKNZUTAE-IEBWSBKVSA-N 2 2 357.542 3.963 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229584 939075236 /nfs/dbraw/zinc/07/52/36/939075236.db2.gz RZMYJXNKNZUTAE-IEBWSBKVSA-N 2 2 357.542 3.963 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292729 939100005 /nfs/dbraw/zinc/10/00/05/939100005.db2.gz AHFZRWKCEJLLNA-XJKSGUPXSA-N 2 2 351.560 3.653 20 0 FHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658293843 939100868 /nfs/dbraw/zinc/10/08/68/939100868.db2.gz JIFRJSPGUDPXJP-NVXWUHKLSA-N 2 2 355.309 3.824 20 0 FHADLP C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)C1 ZINC000519231047 945236621 /nfs/dbraw/zinc/23/66/21/945236621.db2.gz ZDSMJOQLGLTMNO-XLIONFOSSA-N 2 2 353.514 3.781 20 0 FHADLP CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000179704441 939924798 /nfs/dbraw/zinc/92/47/98/939924798.db2.gz WBZVKXYXRWCAJL-UHFFFAOYSA-N 2 2 362.518 3.557 20 0 FHADLP CCO[C@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000507509369 945288671 /nfs/dbraw/zinc/28/86/71/945288671.db2.gz LIMMJJZNXZISRX-QGZVFWFLSA-N 2 2 350.469 3.978 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000024049917 940081464 /nfs/dbraw/zinc/08/14/64/940081464.db2.gz QVZNAWMLKHOYNS-NRFANRHFSA-N 2 2 362.477 3.685 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168796 940410009 /nfs/dbraw/zinc/41/00/09/940410009.db2.gz YEPGOWVXIXPKME-AVYPCKFXSA-N 2 2 369.538 3.764 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168796 940410011 /nfs/dbraw/zinc/41/00/11/940410011.db2.gz YEPGOWVXIXPKME-AVYPCKFXSA-N 2 2 369.538 3.764 20 0 FHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000414096982 940502397 /nfs/dbraw/zinc/50/23/97/940502397.db2.gz MLXVJENVGYYKKO-SJLPKXTDSA-N 2 2 354.498 3.712 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127745 940638120 /nfs/dbraw/zinc/63/81/20/940638120.db2.gz SOTRRJMLZDJPRN-GREBRCKQSA-N 2 2 368.521 3.537 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127745 940638123 /nfs/dbraw/zinc/63/81/23/940638123.db2.gz SOTRRJMLZDJPRN-GREBRCKQSA-N 2 2 368.521 3.537 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000414274379 940882319 /nfs/dbraw/zinc/88/23/19/940882319.db2.gz UUNOFDKHEAHWEF-STZQEDGTSA-N 2 2 370.541 3.652 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000414274379 940882322 /nfs/dbraw/zinc/88/23/22/940882322.db2.gz UUNOFDKHEAHWEF-STZQEDGTSA-N 2 2 370.541 3.652 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949246 /nfs/dbraw/zinc/94/92/46/940949246.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 3 2 355.570 3.849 20 0 FHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949249 /nfs/dbraw/zinc/94/92/49/940949249.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949252 /nfs/dbraw/zinc/94/92/52/940949252.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582187 940949254 /nfs/dbraw/zinc/94/92/54/940949254.db2.gz PZGLUNBDKNUPOE-XZOQPEGZSA-N 3 2 355.570 3.849 20 0 FHADLP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414352705 941033261 /nfs/dbraw/zinc/03/32/61/941033261.db2.gz UKGGIDQRRJOXAO-MRXNPFEDSA-N 2 2 366.484 3.902 20 0 FHADLP Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000376460469 941053388 /nfs/dbraw/zinc/05/33/88/941053388.db2.gz XCJADHOPJCCWHT-HXUWFJFHSA-N 2 2 366.465 3.577 20 0 FHADLP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000376460469 941053389 /nfs/dbraw/zinc/05/33/89/941053389.db2.gz XCJADHOPJCCWHT-HXUWFJFHSA-N 2 2 366.465 3.577 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000423234055 941076414 /nfs/dbraw/zinc/07/64/14/941076414.db2.gz OYVVZYGZCHAYCK-WLYUNCDWSA-N 2 2 356.436 3.660 20 0 FHADLP Clc1cccc2c1SCC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230747 941078263 /nfs/dbraw/zinc/07/82/63/941078263.db2.gz JWDRAFLLFYQWFW-INIZCTEOSA-N 2 2 360.914 3.794 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820995 941437911 /nfs/dbraw/zinc/43/79/11/941437911.db2.gz CLDLBTYDAVIURX-ICSRJNTNSA-N 2 2 352.526 3.710 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820995 941437912 /nfs/dbraw/zinc/43/79/12/941437912.db2.gz CLDLBTYDAVIURX-ICSRJNTNSA-N 2 2 352.526 3.710 20 0 FHADLP Cc1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000472671407 941540532 /nfs/dbraw/zinc/54/05/32/941540532.db2.gz USFWGMSRNDRKMO-HNNXBMFYSA-N 2 2 360.933 3.943 20 0 FHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)o1 ZINC000549168103 941573895 /nfs/dbraw/zinc/57/38/95/941573895.db2.gz ZNXPTCJTDZAVPM-HXUWFJFHSA-N 2 2 370.493 3.765 20 0 FHADLP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)o1 ZINC000549168103 941573898 /nfs/dbraw/zinc/57/38/98/941573898.db2.gz ZNXPTCJTDZAVPM-HXUWFJFHSA-N 2 2 370.493 3.765 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055028 941574164 /nfs/dbraw/zinc/57/41/64/941574164.db2.gz QQDUCXPENFMWQD-QFBILLFUSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055028 941574167 /nfs/dbraw/zinc/57/41/67/941574167.db2.gz QQDUCXPENFMWQD-QFBILLFUSA-N 2 2 357.523 3.783 20 0 FHADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083796 941589814 /nfs/dbraw/zinc/58/98/14/941589814.db2.gz NXCYPVRXRJSKEK-IAGOWNOFSA-N 2 2 365.399 3.606 20 0 FHADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078822 941590965 /nfs/dbraw/zinc/59/09/65/941590965.db2.gz HBJROFOLQQNBCU-UHOSZYNNSA-N 2 2 369.896 3.528 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312960 941628767 /nfs/dbraw/zinc/62/87/67/941628767.db2.gz WSGBEDBBDXWCKI-RXVVDRJESA-N 2 2 355.551 3.815 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312960 941628770 /nfs/dbraw/zinc/62/87/70/941628770.db2.gz WSGBEDBBDXWCKI-RXVVDRJESA-N 2 2 355.551 3.815 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231108 941788517 /nfs/dbraw/zinc/78/85/17/941788517.db2.gz BTSXYFXVKUEYKU-FPOVZHCZSA-N 2 2 373.585 3.519 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231108 941788521 /nfs/dbraw/zinc/78/85/21/941788521.db2.gz BTSXYFXVKUEYKU-FPOVZHCZSA-N 2 2 373.585 3.519 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253064 941818872 /nfs/dbraw/zinc/81/88/72/941818872.db2.gz STBHZAWBVMTTBP-UHFFFAOYSA-N 2 2 368.525 3.794 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000513253064 941818875 /nfs/dbraw/zinc/81/88/75/941818875.db2.gz STBHZAWBVMTTBP-UHFFFAOYSA-N 2 2 368.525 3.794 20 0 FHADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625901 941865740 /nfs/dbraw/zinc/86/57/40/941865740.db2.gz WKKUINRQKMIUEW-OAQYLSRUSA-N 2 2 369.484 3.655 20 0 FHADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625901 941865742 /nfs/dbraw/zinc/86/57/42/941865742.db2.gz WKKUINRQKMIUEW-OAQYLSRUSA-N 2 2 369.484 3.655 20 0 FHADLP CC[N@H+](CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1)CC(C)C ZINC000433751136 941874094 /nfs/dbraw/zinc/87/40/94/941874094.db2.gz YDKHLDVPAMCETK-UHFFFAOYSA-N 2 2 359.562 3.661 20 0 FHADLP CC[N@@H+](CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1)CC(C)C ZINC000433751136 941874099 /nfs/dbraw/zinc/87/40/99/941874099.db2.gz YDKHLDVPAMCETK-UHFFFAOYSA-N 2 2 359.562 3.661 20 0 FHADLP CC[N@H+](CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1)CC(C)C ZINC000433751136 941874102 /nfs/dbraw/zinc/87/41/02/941874102.db2.gz YDKHLDVPAMCETK-UHFFFAOYSA-N 2 2 359.562 3.661 20 0 FHADLP CC[N@@H+](CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1)CC(C)C ZINC000433751136 941874107 /nfs/dbraw/zinc/87/41/07/941874107.db2.gz YDKHLDVPAMCETK-UHFFFAOYSA-N 2 2 359.562 3.661 20 0 FHADLP C[C@H]1C[C@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765244 941882283 /nfs/dbraw/zinc/88/22/83/941882283.db2.gz HGMFTSMKDKWUBG-ICSRJNTNSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765244 941882287 /nfs/dbraw/zinc/88/22/87/941882287.db2.gz HGMFTSMKDKWUBG-ICSRJNTNSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765244 941882291 /nfs/dbraw/zinc/88/22/91/941882291.db2.gz HGMFTSMKDKWUBG-ICSRJNTNSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765244 941882294 /nfs/dbraw/zinc/88/22/94/941882294.db2.gz HGMFTSMKDKWUBG-ICSRJNTNSA-N 2 2 365.525 3.789 20 0 FHADLP COc1cc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711448 941922313 /nfs/dbraw/zinc/92/23/13/941922313.db2.gz ZVMKHCMQABLKLB-LDBYXDLTSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711448 941922317 /nfs/dbraw/zinc/92/23/17/941922317.db2.gz ZVMKHCMQABLKLB-LDBYXDLTSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711448 941922320 /nfs/dbraw/zinc/92/23/20/941922320.db2.gz ZVMKHCMQABLKLB-LDBYXDLTSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711448 941922323 /nfs/dbraw/zinc/92/23/23/941922323.db2.gz ZVMKHCMQABLKLB-LDBYXDLTSA-N 2 2 374.504 3.644 20 0 FHADLP CCC(CC)(C[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415594197 941930930 /nfs/dbraw/zinc/93/09/30/941930930.db2.gz HWVBLBQWOBOFDN-UHFFFAOYSA-N 2 2 355.486 3.525 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)CCC2 ZINC000377833554 942029162 /nfs/dbraw/zinc/02/91/62/942029162.db2.gz ZLNWMEJJPKYWTH-HNNXBMFYSA-N 2 2 353.388 3.800 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012580 942040105 /nfs/dbraw/zinc/04/01/05/942040105.db2.gz QVUMZNRWKCETSP-BAMDZGJYSA-N 2 2 366.553 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012580 942040109 /nfs/dbraw/zinc/04/01/09/942040109.db2.gz QVUMZNRWKCETSP-BAMDZGJYSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012580 942040112 /nfs/dbraw/zinc/04/01/12/942040112.db2.gz QVUMZNRWKCETSP-BAMDZGJYSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012580 942040115 /nfs/dbraw/zinc/04/01/15/942040115.db2.gz QVUMZNRWKCETSP-BAMDZGJYSA-N 2 2 366.553 3.929 20 0 FHADLP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434007458 942045657 /nfs/dbraw/zinc/04/56/57/942045657.db2.gz VHGYHDMDBSTOGZ-UGKGYDQZSA-N 2 2 365.521 3.920 20 0 FHADLP C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434007458 942045661 /nfs/dbraw/zinc/04/56/61/942045661.db2.gz VHGYHDMDBSTOGZ-UGKGYDQZSA-N 2 2 365.521 3.920 20 0 FHADLP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434007458 942045665 /nfs/dbraw/zinc/04/56/65/942045665.db2.gz VHGYHDMDBSTOGZ-UGKGYDQZSA-N 2 2 365.521 3.920 20 0 FHADLP C[NH+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434007458 942045668 /nfs/dbraw/zinc/04/56/68/942045668.db2.gz VHGYHDMDBSTOGZ-UGKGYDQZSA-N 2 2 365.521 3.920 20 0 FHADLP Clc1ccc2[nH+]ccc(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000513607861 942045756 /nfs/dbraw/zinc/04/57/56/942045756.db2.gz IFUYGAIQWPABKX-NRFANRHFSA-N 2 2 367.880 3.796 20 0 FHADLP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052643 /nfs/dbraw/zinc/05/26/43/942052643.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 2 369.509 3.614 20 0 FHADLP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052648 /nfs/dbraw/zinc/05/26/48/942052648.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 2 369.509 3.614 20 0 FHADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052650 /nfs/dbraw/zinc/05/26/50/942052650.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 2 369.509 3.614 20 0 FHADLP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434026445 942052654 /nfs/dbraw/zinc/05/26/54/942052654.db2.gz FFWRGQJIPIIOTI-UGKGYDQZSA-N 2 2 369.509 3.614 20 0 FHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420912787 942251336 /nfs/dbraw/zinc/25/13/36/942251336.db2.gz IGJUWSHXRWSOCD-MRXNPFEDSA-N 2 2 359.539 3.785 20 0 FHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420912787 942251338 /nfs/dbraw/zinc/25/13/38/942251338.db2.gz IGJUWSHXRWSOCD-MRXNPFEDSA-N 2 2 359.539 3.785 20 0 FHADLP c1cc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cs1 ZINC000420921400 942254647 /nfs/dbraw/zinc/25/46/47/942254647.db2.gz LMDKBMJTELKJDO-UHFFFAOYSA-N 2 2 356.535 3.960 20 0 FHADLP CC(C)(COCc1ccccc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420968362 942279352 /nfs/dbraw/zinc/27/93/52/942279352.db2.gz WFQCKRXIFXROCO-UHFFFAOYSA-N 2 2 368.521 3.604 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977423 942287656 /nfs/dbraw/zinc/28/76/56/942287656.db2.gz ICGDXQBAZZAPQQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977423 942287657 /nfs/dbraw/zinc/28/76/57/942287657.db2.gz ICGDXQBAZZAPQQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977423 942287660 /nfs/dbraw/zinc/28/76/60/942287660.db2.gz ICGDXQBAZZAPQQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977423 942287663 /nfs/dbraw/zinc/28/76/63/942287663.db2.gz ICGDXQBAZZAPQQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CCO[C@@H]1C[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)C12CCC2 ZINC000179843491 942292622 /nfs/dbraw/zinc/29/26/22/942292622.db2.gz JFNVPNIXJAVRIF-LEWJYISDSA-N 2 2 357.542 3.977 20 0 FHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000502242663 942303242 /nfs/dbraw/zinc/30/32/42/942303242.db2.gz RTWVHDMASBQZMQ-QGZVFWFLSA-N 2 2 365.477 3.919 20 0 FHADLP [NH3+][C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000414825795 942456931 /nfs/dbraw/zinc/45/69/31/942456931.db2.gz DDXSGWLAJQBVGK-HXUWFJFHSA-N 2 2 361.493 3.850 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(F)ccc(Br)c1F)CCC2 ZINC000501468610 942490016 /nfs/dbraw/zinc/49/00/16/942490016.db2.gz BMMDOVUXAYUDGW-LLVKDONJSA-N 2 2 370.241 3.899 20 0 FHADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000509952865 942491228 /nfs/dbraw/zinc/49/12/28/942491228.db2.gz FQEVBJGXLUIJMA-UHFFFAOYSA-N 2 2 364.436 3.681 20 0 FHADLP Brc1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414834022 942508970 /nfs/dbraw/zinc/50/89/70/942508970.db2.gz SHQPAJSUDSBNPB-GFCCVEGCSA-N 2 2 366.328 3.662 20 0 FHADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420301384 942611306 /nfs/dbraw/zinc/61/13/06/942611306.db2.gz VSZFPMCZHLORNZ-CYBMUJFWSA-N 2 2 360.914 3.758 20 0 FHADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420301384 942611309 /nfs/dbraw/zinc/61/13/09/942611309.db2.gz VSZFPMCZHLORNZ-CYBMUJFWSA-N 2 2 360.914 3.758 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502682525 942655841 /nfs/dbraw/zinc/65/58/41/942655841.db2.gz BTMWHYUNNOJENU-SFHVURJKSA-N 2 2 368.525 3.681 20 0 FHADLP CC(C)Cn1ccnc1C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000378439745 942773365 /nfs/dbraw/zinc/77/33/65/942773365.db2.gz UMMHLOYMVDTDKB-IBGZPJMESA-N 2 2 368.525 3.617 20 0 FHADLP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc2C1 ZINC000378503015 942832751 /nfs/dbraw/zinc/83/27/51/942832751.db2.gz XHIFXYCKQGCBQV-QHCPKHFHSA-N 2 2 374.488 3.515 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000502910086 942834767 /nfs/dbraw/zinc/83/47/67/942834767.db2.gz ADGMVWFHQACHDN-UHFFFAOYSA-N 2 2 358.482 3.914 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000502910086 942834772 /nfs/dbraw/zinc/83/47/72/942834772.db2.gz ADGMVWFHQACHDN-UHFFFAOYSA-N 2 2 358.482 3.914 20 0 FHADLP CN(c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1)C1CC1 ZINC000434672929 942857614 /nfs/dbraw/zinc/85/76/14/942857614.db2.gz OEZUYNIOCCNULK-UHFFFAOYSA-N 2 2 371.554 3.654 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120171 942917459 /nfs/dbraw/zinc/91/74/59/942917459.db2.gz FDNHMBYEXYGBQT-SFHVURJKSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120171 942917460 /nfs/dbraw/zinc/91/74/60/942917460.db2.gz FDNHMBYEXYGBQT-SFHVURJKSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120171 942917465 /nfs/dbraw/zinc/91/74/65/942917465.db2.gz FDNHMBYEXYGBQT-SFHVURJKSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120171 942917467 /nfs/dbraw/zinc/91/74/67/942917467.db2.gz FDNHMBYEXYGBQT-SFHVURJKSA-N 2 2 372.431 3.554 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCC(C)(C)C)CC2)CC1 ZINC000422009540 942937690 /nfs/dbraw/zinc/93/76/90/942937690.db2.gz BGCLMSGVWCGJME-UHFFFAOYSA-N 2 2 351.579 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCC(C)(C)C)CC2)CC1 ZINC000422009540 942937694 /nfs/dbraw/zinc/93/76/94/942937694.db2.gz BGCLMSGVWCGJME-UHFFFAOYSA-N 2 2 351.579 3.612 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422022656 942940976 /nfs/dbraw/zinc/94/09/76/942940976.db2.gz PDUINLBYFFZTOB-UHFFFAOYSA-N 2 2 369.553 3.586 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C4CCC4)cc3)CC2)CC1 ZINC000422022656 942940980 /nfs/dbraw/zinc/94/09/80/942940980.db2.gz PDUINLBYFFZTOB-UHFFFAOYSA-N 2 2 369.553 3.586 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C4CCC4)c3)CC2)CC1 ZINC000422024045 942941737 /nfs/dbraw/zinc/94/17/37/942941737.db2.gz QQOIBBJJCICOIS-UHFFFAOYSA-N 2 2 369.553 3.586 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C4CCC4)c3)CC2)CC1 ZINC000422024045 942941742 /nfs/dbraw/zinc/94/17/42/942941742.db2.gz QQOIBBJJCICOIS-UHFFFAOYSA-N 2 2 369.553 3.586 20 0 FHADLP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000312258848 943014017 /nfs/dbraw/zinc/01/40/17/943014017.db2.gz DTFAKXMXBOQSKL-GOSISDBHSA-N 2 2 372.513 3.901 20 0 FHADLP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000312258850 943014390 /nfs/dbraw/zinc/01/43/90/943014390.db2.gz DTFAKXMXBOQSKL-SFHVURJKSA-N 2 2 372.513 3.901 20 0 FHADLP CC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079469 943076232 /nfs/dbraw/zinc/07/62/32/943076232.db2.gz KIVYLGNFQUHYNA-UYAOXDASSA-N 2 2 374.573 3.750 20 0 FHADLP CC[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079469 943076239 /nfs/dbraw/zinc/07/62/39/943076239.db2.gz KIVYLGNFQUHYNA-UYAOXDASSA-N 2 2 374.573 3.750 20 0 FHADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544236197 943096158 /nfs/dbraw/zinc/09/61/58/943096158.db2.gz OFJUWMHSBSTLIW-LJQANCHMSA-N 2 2 374.573 3.539 20 0 FHADLP CCCC[C@H](CCC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422192823 943127661 /nfs/dbraw/zinc/12/76/61/943127661.db2.gz WHCMBMGGMXMUOO-IBGZPJMESA-N 2 2 366.594 3.547 20 0 FHADLP CCCC[C@H](CCC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422192823 943127664 /nfs/dbraw/zinc/12/76/64/943127664.db2.gz WHCMBMGGMXMUOO-IBGZPJMESA-N 2 2 366.594 3.547 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000272777988 943219799 /nfs/dbraw/zinc/21/97/99/943219799.db2.gz YWKQUEWCBZJHHF-INIZCTEOSA-N 2 2 355.448 3.519 20 0 FHADLP [NH3+][C@@H]1C[C@H](NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699791 943237676 /nfs/dbraw/zinc/23/76/76/943237676.db2.gz BARWHGMEOKXRLH-RTWAWAEBSA-N 2 2 357.448 3.664 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@@H]1CCC[NH2+]1 ZINC000422705958 943239949 /nfs/dbraw/zinc/23/99/49/943239949.db2.gz DFONAJDGGVXRRL-PMACEKPBSA-N 2 2 355.457 3.698 20 0 FHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3C[C@]3(C)Br)cc2)CC1 ZINC000893283549 943242970 /nfs/dbraw/zinc/24/29/70/943242970.db2.gz UVVJADDXHXAWDU-KSSFIOAISA-N 2 2 366.347 3.802 20 0 FHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000893283550 943243026 /nfs/dbraw/zinc/24/30/26/943243026.db2.gz UVVJADDXHXAWDU-RDTXWAMCSA-N 2 2 366.347 3.802 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422712970 943244833 /nfs/dbraw/zinc/24/48/33/943244833.db2.gz JEQPJDOLSCIUTP-FGZHOGPDSA-N 3 2 359.558 3.734 20 0 FHADLP C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718005 943255831 /nfs/dbraw/zinc/25/58/31/943255831.db2.gz WOQWAVPHVRAUHU-HNAYVOBHSA-N 2 2 369.475 3.790 20 0 FHADLP C[C@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718005 943255835 /nfs/dbraw/zinc/25/58/35/943255835.db2.gz WOQWAVPHVRAUHU-HNAYVOBHSA-N 2 2 369.475 3.790 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422726293 943260707 /nfs/dbraw/zinc/26/07/07/943260707.db2.gz ZRPHPWSACQXWBY-HOTGVXAUSA-N 2 2 352.404 3.511 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000503577237 943272047 /nfs/dbraw/zinc/27/20/47/943272047.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000503577237 943272054 /nfs/dbraw/zinc/27/20/54/943272054.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000503577237 943272059 /nfs/dbraw/zinc/27/20/59/943272059.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000503577237 943272066 /nfs/dbraw/zinc/27/20/66/943272066.db2.gz KWVBIFXNBYCZHE-IBGZPJMESA-N 2 2 353.510 3.607 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422786273 943282636 /nfs/dbraw/zinc/28/26/36/943282636.db2.gz KRRUPYNRSJLVFE-SBUREZEXSA-N 2 2 362.521 3.596 20 0 FHADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422796305 943286539 /nfs/dbraw/zinc/28/65/39/943286539.db2.gz YEXUGZCJOMLHKF-GJZGRUSLSA-N 2 2 351.372 3.862 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000422813973 943292256 /nfs/dbraw/zinc/29/22/56/943292256.db2.gz SRUXQKINGFJVAB-ROEJJBDBSA-N 3 2 365.521 3.530 20 0 FHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425319363 943296739 /nfs/dbraw/zinc/29/67/39/943296739.db2.gz VMYVIUVEFOOVSW-VQTJNVASSA-N 2 2 368.525 3.558 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422826006 943297367 /nfs/dbraw/zinc/29/73/67/943297367.db2.gz BHUBEBUMCGDYLS-NJDAHSKKSA-N 2 2 352.526 3.526 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000422872610 943322056 /nfs/dbraw/zinc/32/20/56/943322056.db2.gz HUUWKHRGGLGMKT-IOMROCGXSA-N 2 2 352.478 3.787 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000422874678 943323467 /nfs/dbraw/zinc/32/34/67/943323467.db2.gz OCWNRWPAYJCZEY-VOBQZIQPSA-N 2 2 362.876 3.925 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422900681 943324541 /nfs/dbraw/zinc/32/45/41/943324541.db2.gz ARBJADUMUNETMR-QUCCMNQESA-N 2 2 359.539 3.866 20 0 FHADLP COc1ccc(C[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913919 943328998 /nfs/dbraw/zinc/32/89/98/943328998.db2.gz ZKARTNXXUSFMCX-PWIZWCRZSA-N 2 2 354.494 3.718 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937346 943337707 /nfs/dbraw/zinc/33/77/07/943337707.db2.gz GCAYIMGNTRWOSN-QBIMZIAESA-N 2 2 350.915 3.848 20 0 FHADLP COc1ccc([C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422980320 943357232 /nfs/dbraw/zinc/35/72/32/943357232.db2.gz LMHPCWYRIMEMGC-PZJWPPBQSA-N 2 2 352.482 3.596 20 0 FHADLP CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435379106 943367971 /nfs/dbraw/zinc/36/79/71/943367971.db2.gz HQIIMMAXPHSEIT-CQSZACIVSA-N 2 2 354.420 3.556 20 0 FHADLP CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435379106 943367974 /nfs/dbraw/zinc/36/79/74/943367974.db2.gz HQIIMMAXPHSEIT-CQSZACIVSA-N 2 2 354.420 3.556 20 0 FHADLP COc1cc(C)c(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435393377 943379254 /nfs/dbraw/zinc/37/92/54/943379254.db2.gz JLIXODKTHBOXET-FQEVSTJZSA-N 2 2 369.509 3.552 20 0 FHADLP COc1cc(C)c(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435393377 943379261 /nfs/dbraw/zinc/37/92/61/943379261.db2.gz JLIXODKTHBOXET-FQEVSTJZSA-N 2 2 369.509 3.552 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077460 943395000 /nfs/dbraw/zinc/39/50/00/943395000.db2.gz TWPRXOCYRGVYEF-IZBOUPIGSA-N 2 2 366.505 3.856 20 0 FHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423103197 943395290 /nfs/dbraw/zinc/39/52/90/943395290.db2.gz KXYKXBAAYPTYMN-AVRDEDQJSA-N 2 2 361.489 3.709 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423127861 943399606 /nfs/dbraw/zinc/39/96/06/943399606.db2.gz PTAADZFSTOYVEQ-TZYHBYERSA-N 2 2 369.553 3.625 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428349 943407173 /nfs/dbraw/zinc/40/71/73/943407173.db2.gz RWFPQVNHFBVZIX-QKWWCAPFSA-N 2 2 350.510 3.561 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428349 943407176 /nfs/dbraw/zinc/40/71/76/943407176.db2.gz RWFPQVNHFBVZIX-QKWWCAPFSA-N 2 2 350.510 3.561 20 0 FHADLP CSc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423146193 943407393 /nfs/dbraw/zinc/40/73/93/943407393.db2.gz OLHLCGOPZZZIBA-HBGVWJBISA-N 2 2 357.567 3.559 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428348 943407400 /nfs/dbraw/zinc/40/74/00/943407400.db2.gz RWFPQVNHFBVZIX-NSDNCLLMSA-N 2 2 350.510 3.561 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428348 943407403 /nfs/dbraw/zinc/40/74/03/943407403.db2.gz RWFPQVNHFBVZIX-NSDNCLLMSA-N 2 2 350.510 3.561 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccco2)cc1 ZINC000423171203 943424945 /nfs/dbraw/zinc/42/49/45/943424945.db2.gz ZRMXYUGJQRNLMT-BTYIYWSLSA-N 2 2 351.450 3.891 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423235615 943442974 /nfs/dbraw/zinc/44/29/74/943442974.db2.gz GSOSZLDXEWCMLH-HRAATJIYSA-N 2 2 353.510 3.862 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423235332 943443037 /nfs/dbraw/zinc/44/30/37/943443037.db2.gz QWZGPDXAXVHCCR-CYBMUJFWSA-N 2 2 366.387 3.563 20 0 FHADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423239368 943445062 /nfs/dbraw/zinc/44/50/62/943445062.db2.gz JXMBBQCCQDGYQF-HXOBKFHXSA-N 2 2 367.537 3.839 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000423230537 943451831 /nfs/dbraw/zinc/45/18/31/943451831.db2.gz JIVYZOGDUJIGMV-ZDUSSCGKSA-N 2 2 350.388 3.683 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423234278 943454226 /nfs/dbraw/zinc/45/42/26/943454226.db2.gz FLPJYQIEZOZLNF-JPYJTQIMSA-N 2 2 367.537 3.997 20 0 FHADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423282423 943463333 /nfs/dbraw/zinc/46/33/33/943463333.db2.gz WNDZUHSOFCWQQE-XOBRGWDASA-N 2 2 360.885 3.646 20 0 FHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316973 943474119 /nfs/dbraw/zinc/47/41/19/943474119.db2.gz BWDFSPQGDHCIQY-NXEZZACHSA-N 2 2 354.317 3.879 20 0 FHADLP C[C@@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2cccnc2)CCCC1)c1ccccc1 ZINC000584716986 943475925 /nfs/dbraw/zinc/47/59/25/943475925.db2.gz QIAOJLATWULODG-GOSISDBHSA-N 2 2 366.509 3.663 20 0 FHADLP FC(F)Oc1ccc([C@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423302582 943476574 /nfs/dbraw/zinc/47/65/74/943476574.db2.gz JXWQYAOAXBKHPY-QGZVFWFLSA-N 2 2 352.812 3.840 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515053627 943477201 /nfs/dbraw/zinc/47/72/01/943477201.db2.gz YGSPHINZYANDDX-ZAAXVRCTSA-N 2 2 371.912 3.711 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccccc2N(C)C)cc1 ZINC000423346052 943478581 /nfs/dbraw/zinc/47/85/81/943478581.db2.gz YHPHUVHSOGBWBJ-TYCQWZJGSA-N 2 2 353.510 3.558 20 0 FHADLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423329476 943481359 /nfs/dbraw/zinc/48/13/59/943481359.db2.gz SVZFEEWRLMOMIS-QFYYESIMSA-N 2 2 353.297 3.875 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCc3nc(C)sc32)cc1 ZINC000423330069 943481949 /nfs/dbraw/zinc/48/19/49/943481949.db2.gz LVFVIDPURWURLL-UHOSZYNNSA-N 2 2 357.523 3.573 20 0 FHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372225 943485553 /nfs/dbraw/zinc/48/55/53/943485553.db2.gz AXOSLQZTAMZNGK-SFTDATJTSA-N 2 2 353.510 3.742 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355838 943489427 /nfs/dbraw/zinc/48/94/27/943489427.db2.gz PRWMYQKIHYBTKH-XGRCMKMKSA-N 2 2 350.510 3.541 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355838 943489431 /nfs/dbraw/zinc/48/94/31/943489431.db2.gz PRWMYQKIHYBTKH-XGRCMKMKSA-N 2 2 350.510 3.541 20 0 FHADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369834 943493919 /nfs/dbraw/zinc/49/39/19/943493919.db2.gz OXLNQQPFUQCIGU-FQELHTAISA-N 2 2 359.464 3.806 20 0 FHADLP Cn1ccnc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000504170521 943534492 /nfs/dbraw/zinc/53/44/92/943534492.db2.gz VBEAJRXKRRRZQC-UHFFFAOYSA-N 2 2 357.461 3.622 20 0 FHADLP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@@H]2C[NH2+]CCO2)cs1 ZINC000423577007 943561693 /nfs/dbraw/zinc/56/16/93/943561693.db2.gz RRWHTCXWVBMVGV-FUHWJXTLSA-N 2 2 350.915 3.572 20 0 FHADLP CCn1ccnc1C[N@H+](CCOC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698271 943563748 /nfs/dbraw/zinc/56/37/48/943563748.db2.gz WACFLJYHUCVBAW-FQEVSTJZSA-N 2 2 374.573 3.587 20 0 FHADLP CCn1ccnc1C[N@@H+](CCOC1CCCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698271 943563751 /nfs/dbraw/zinc/56/37/51/943563751.db2.gz WACFLJYHUCVBAW-FQEVSTJZSA-N 2 2 374.573 3.587 20 0 FHADLP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016660 943611599 /nfs/dbraw/zinc/61/15/99/943611599.db2.gz SJPQOEAXCHRKSD-NRFANRHFSA-N 2 2 356.558 3.770 20 0 FHADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000093016660 943611602 /nfs/dbraw/zinc/61/16/02/943611602.db2.gz SJPQOEAXCHRKSD-NRFANRHFSA-N 2 2 356.558 3.770 20 0 FHADLP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016659 943611660 /nfs/dbraw/zinc/61/16/60/943611660.db2.gz SJPQOEAXCHRKSD-OAQYLSRUSA-N 2 2 356.558 3.770 20 0 FHADLP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000093016659 943611662 /nfs/dbraw/zinc/61/16/62/943611662.db2.gz SJPQOEAXCHRKSD-OAQYLSRUSA-N 2 2 356.558 3.770 20 0 FHADLP CC(C)n1c[nH+]cc1CNc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000424164229 943769975 /nfs/dbraw/zinc/76/99/75/943769975.db2.gz YTMLAIWSKMATNX-UHFFFAOYSA-N 2 2 369.513 3.891 20 0 FHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000424331221 943847101 /nfs/dbraw/zinc/84/71/01/943847101.db2.gz JEZAYLLEVVLYOX-RTBURBONSA-N 2 2 373.884 3.930 20 0 FHADLP C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437477167 943847373 /nfs/dbraw/zinc/84/73/73/943847373.db2.gz GCOQFWPHKNMFLB-LJQANCHMSA-N 2 2 374.488 3.609 20 0 FHADLP C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000437477167 943847382 /nfs/dbraw/zinc/84/73/82/943847382.db2.gz GCOQFWPHKNMFLB-LJQANCHMSA-N 2 2 374.488 3.609 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@H](C)C1 ZINC000660306116 943944483 /nfs/dbraw/zinc/94/44/83/943944483.db2.gz OPABOESCNQGQHZ-PBHICJAKSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@H](C)C1 ZINC000660306116 943944488 /nfs/dbraw/zinc/94/44/88/943944488.db2.gz OPABOESCNQGQHZ-PBHICJAKSA-N 2 2 374.447 3.654 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)C1CC1 ZINC000511645363 943989461 /nfs/dbraw/zinc/98/94/61/943989461.db2.gz JWNVTRXUHBMSNJ-UHFFFAOYSA-N 2 2 374.488 3.787 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)C1CC1 ZINC000511645363 943989471 /nfs/dbraw/zinc/98/94/71/943989471.db2.gz JWNVTRXUHBMSNJ-UHFFFAOYSA-N 2 2 374.488 3.787 20 0 FHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414806903 944053157 /nfs/dbraw/zinc/05/31/57/944053157.db2.gz BXRUPYIMUBLIOK-LJQANCHMSA-N 2 2 355.482 3.555 20 0 FHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000517205837 944104800 /nfs/dbraw/zinc/10/48/00/944104800.db2.gz ODAGGTXKVFAOGY-IINYFYTJSA-N 2 2 366.690 3.960 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321299 /nfs/dbraw/zinc/32/12/99/944321299.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321305 /nfs/dbraw/zinc/32/13/05/944321305.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321314 /nfs/dbraw/zinc/32/13/14/944321314.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483933 944321325 /nfs/dbraw/zinc/32/13/25/944321325.db2.gz CXCDAOSXDLZCNV-AQNXPRMDSA-N 2 2 351.579 3.607 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008101 944336356 /nfs/dbraw/zinc/33/63/56/944336356.db2.gz BNWUVZQBTPWRKU-DNVCBOLYSA-N 2 2 374.326 3.865 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008101 944336364 /nfs/dbraw/zinc/33/63/64/944336364.db2.gz BNWUVZQBTPWRKU-DNVCBOLYSA-N 2 2 374.326 3.865 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCCNc1c(Br)ccc2[nH+]ccn21 ZINC001167754585 944380362 /nfs/dbraw/zinc/38/03/62/944380362.db2.gz SVDKVEYKNOFEBM-CYBMUJFWSA-N 2 2 351.292 3.773 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCCNc1c(Br)ccc2[nH+]ccn21 ZINC001167754585 944380371 /nfs/dbraw/zinc/38/03/71/944380371.db2.gz SVDKVEYKNOFEBM-CYBMUJFWSA-N 2 2 351.292 3.773 20 0 FHADLP CC[NH+](CC)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)c1ccccc1 ZINC000518484002 944428683 /nfs/dbraw/zinc/42/86/83/944428683.db2.gz BZUKXCVVBXJJHG-SFHVURJKSA-N 2 2 372.538 3.543 20 0 FHADLP CC[NH+](CC)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)c1ccccc1 ZINC000518484002 944428687 /nfs/dbraw/zinc/42/86/87/944428687.db2.gz BZUKXCVVBXJJHG-SFHVURJKSA-N 2 2 372.538 3.543 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)[nH+]c2)CC1 ZINC000467347750 944462948 /nfs/dbraw/zinc/46/29/48/944462948.db2.gz CCOMISXZWGIGJV-CEXWTWQISA-N 2 2 372.557 3.619 20 0 FHADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419295 944602171 /nfs/dbraw/zinc/60/21/71/944602171.db2.gz BKJXDDKVBMYXPM-GHTZIAJQSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419295 944602176 /nfs/dbraw/zinc/60/21/76/944602176.db2.gz BKJXDDKVBMYXPM-GHTZIAJQSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419297 944602508 /nfs/dbraw/zinc/60/25/08/944602508.db2.gz BKJXDDKVBMYXPM-RXVVDRJESA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660419297 944602510 /nfs/dbraw/zinc/60/25/10/944602510.db2.gz BKJXDDKVBMYXPM-RXVVDRJESA-N 2 2 356.510 3.617 20 0 FHADLP COc1cc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)ccc1OCc1ccncc1 ZINC000414931348 944636496 /nfs/dbraw/zinc/63/64/96/944636496.db2.gz RFAFCXNZXXARLP-OAQYLSRUSA-N 2 2 369.509 3.537 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584532 944636794 /nfs/dbraw/zinc/63/67/94/944636794.db2.gz CCQMHMPZQAZLCQ-VAMGGRTRSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584532 944636800 /nfs/dbraw/zinc/63/68/00/944636800.db2.gz CCQMHMPZQAZLCQ-VAMGGRTRSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506584532 944636808 /nfs/dbraw/zinc/63/68/08/944636808.db2.gz CCQMHMPZQAZLCQ-VAMGGRTRSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506584532 944636812 /nfs/dbraw/zinc/63/68/12/944636812.db2.gz CCQMHMPZQAZLCQ-VAMGGRTRSA-N 2 2 363.590 3.752 20 0 FHADLP C[NH+](C)CC1(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CCCCC1 ZINC000426401542 944671736 /nfs/dbraw/zinc/67/17/36/944671736.db2.gz AEVBEZZWXMXWJQ-UHFFFAOYSA-N 2 2 372.557 3.590 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414892636 944736698 /nfs/dbraw/zinc/73/66/98/944736698.db2.gz XCLXIAHCJLLFHW-RBUKOAKNSA-N 2 2 362.420 3.532 20 0 FHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390712227 944765352 /nfs/dbraw/zinc/76/53/52/944765352.db2.gz XCQLGTFUMQFKGN-TZIWHRDSSA-N 2 2 368.521 3.945 20 0 FHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390712227 944765358 /nfs/dbraw/zinc/76/53/58/944765358.db2.gz XCQLGTFUMQFKGN-TZIWHRDSSA-N 2 2 368.521 3.945 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc4ncccc4c3)C2)cc1 ZINC000390726562 944812417 /nfs/dbraw/zinc/81/24/17/944812417.db2.gz LVNQOAJPXFELFL-QFIPXVFZSA-N 2 2 361.489 3.616 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc4ncccc4c3)C2)cc1 ZINC000390726562 944812422 /nfs/dbraw/zinc/81/24/22/944812422.db2.gz LVNQOAJPXFELFL-QFIPXVFZSA-N 2 2 361.489 3.616 20 0 FHADLP C[C@@H](c1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000426480181 944940241 /nfs/dbraw/zinc/94/02/41/944940241.db2.gz QOTDAAPQEKMBMH-SFHVURJKSA-N 2 2 373.541 3.530 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000414944127 944971380 /nfs/dbraw/zinc/97/13/80/944971380.db2.gz OWZYFKKBDODHSH-QAJUQPOASA-N 2 2 354.494 3.797 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000414944121 944971639 /nfs/dbraw/zinc/97/16/39/944971639.db2.gz OWZYFKKBDODHSH-CGRMTHRGSA-N 2 2 354.494 3.797 20 0 FHADLP c1ccc(-c2noc(CCC[NH+]3CCC([NH2+]C4CCCC4)CC3)n2)cc1 ZINC000111301234 945007156 /nfs/dbraw/zinc/00/71/56/945007156.db2.gz BJAKTDOOJRHERH-UHFFFAOYSA-N 2 2 354.498 3.666 20 0 FHADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020840 945019000 /nfs/dbraw/zinc/01/90/00/945019000.db2.gz YLGXSMGMYIDDBT-FYYLOGMGSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020840 945019009 /nfs/dbraw/zinc/01/90/09/945019009.db2.gz YLGXSMGMYIDDBT-FYYLOGMGSA-N 2 2 350.506 3.863 20 0 FHADLP Clc1ccc(C[NH+]2CCC(NC[C@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414955061 945036287 /nfs/dbraw/zinc/03/62/87/945036287.db2.gz MLYXKZCUAQEXKH-JOCHJYFZSA-N 2 2 369.940 3.781 20 0 FHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)[C@@H](C)[NH3+] ZINC000415018346 945501175 /nfs/dbraw/zinc/50/11/75/945501175.db2.gz QTNSVDHXHKDWSO-OLZOCXBDSA-N 2 2 365.319 3.584 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037168 945508735 /nfs/dbraw/zinc/50/87/35/945508735.db2.gz GNMRDGIFEHKJLT-NVXWUHKLSA-N 2 2 371.506 3.503 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037168 945508739 /nfs/dbraw/zinc/50/87/39/945508739.db2.gz GNMRDGIFEHKJLT-NVXWUHKLSA-N 2 2 371.506 3.503 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633323 945601969 /nfs/dbraw/zinc/60/19/69/945601969.db2.gz DJYKZCUEWAGXQK-OFNKIYASSA-N 2 2 365.521 3.814 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633323 945601975 /nfs/dbraw/zinc/60/19/75/945601975.db2.gz DJYKZCUEWAGXQK-OFNKIYASSA-N 2 2 365.521 3.814 20 0 FHADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000519689594 945662007 /nfs/dbraw/zinc/66/20/07/945662007.db2.gz MOHBQNZDKMHFAK-KYFSNAEOSA-N 2 2 351.494 3.976 20 0 FHADLP COC[C@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000651716769 945756404 /nfs/dbraw/zinc/75/64/04/945756404.db2.gz HUIDYLAALUSMSE-ICSRJNTNSA-N 2 2 362.558 3.927 20 0 FHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000651719334 945762163 /nfs/dbraw/zinc/76/21/63/945762163.db2.gz QHEVZZXTFWIXKM-CXAGYDPISA-N 2 2 352.881 3.557 20 0 FHADLP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001271551679 945850628 /nfs/dbraw/zinc/85/06/28/945850628.db2.gz HCJXUKCRLNMPKF-VOBGVNJCSA-N 2 2 360.546 3.670 20 0 FHADLP CCCC[C@@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001271551679 945850640 /nfs/dbraw/zinc/85/06/40/945850640.db2.gz HCJXUKCRLNMPKF-VOBGVNJCSA-N 2 2 360.546 3.670 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000301651747 945895120 /nfs/dbraw/zinc/89/51/20/945895120.db2.gz GKNOZGLOUQKSBS-SJORKVTESA-N 2 2 367.493 3.701 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000301651747 945895133 /nfs/dbraw/zinc/89/51/33/945895133.db2.gz GKNOZGLOUQKSBS-SJORKVTESA-N 2 2 367.493 3.701 20 0 FHADLP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000301673555 945907655 /nfs/dbraw/zinc/90/76/55/945907655.db2.gz ZYWUJJRZQJUACU-QGZVFWFLSA-N 2 2 354.498 3.741 20 0 FHADLP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000301673555 945907661 /nfs/dbraw/zinc/90/76/61/945907661.db2.gz ZYWUJJRZQJUACU-QGZVFWFLSA-N 2 2 354.498 3.741 20 0 FHADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732106 945938488 /nfs/dbraw/zinc/93/84/88/945938488.db2.gz YJCRPSQOIXDELR-RTWAWAEBSA-N 2 2 350.510 3.893 20 0 FHADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732106 945938491 /nfs/dbraw/zinc/93/84/91/945938491.db2.gz YJCRPSQOIXDELR-RTWAWAEBSA-N 2 2 350.510 3.893 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440823789 945956851 /nfs/dbraw/zinc/95/68/51/945956851.db2.gz NJBNCZACLFQLER-ZDUSSCGKSA-N 2 2 352.404 3.744 20 0 FHADLP Nc1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]c2ccccc12 ZINC000301796791 945969439 /nfs/dbraw/zinc/96/94/39/945969439.db2.gz UCFOODXSPNAVOG-UHFFFAOYSA-N 2 2 367.884 3.942 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301809491 945978637 /nfs/dbraw/zinc/97/86/37/945978637.db2.gz CXTATAAZKRFYJQ-DNVCBOLYSA-N 2 2 357.527 3.855 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301809491 945978647 /nfs/dbraw/zinc/97/86/47/945978647.db2.gz CXTATAAZKRFYJQ-DNVCBOLYSA-N 2 2 357.527 3.855 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444212009 946072495 /nfs/dbraw/zinc/07/24/95/946072495.db2.gz LSKOBGULXVMGBJ-INIZCTEOSA-N 2 2 372.534 3.996 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444212009 946072503 /nfs/dbraw/zinc/07/25/03/946072503.db2.gz LSKOBGULXVMGBJ-INIZCTEOSA-N 2 2 372.534 3.996 20 0 FHADLP C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC000444245027 946121155 /nfs/dbraw/zinc/12/11/55/946121155.db2.gz KAGPKUOQCISDCT-BRWVUGGUSA-N 2 2 364.493 3.802 20 0 FHADLP Cc1nc([C@@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)no1 ZINC000639725269 946265723 /nfs/dbraw/zinc/26/57/23/946265723.db2.gz KATYWWMOMGFPCR-QGZVFWFLSA-N 2 2 354.498 3.817 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302899891 946374800 /nfs/dbraw/zinc/37/48/00/946374800.db2.gz QFSLPTWHMGJDGD-GOSISDBHSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302899891 946374807 /nfs/dbraw/zinc/37/48/07/946374807.db2.gz QFSLPTWHMGJDGD-GOSISDBHSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302899891 946374812 /nfs/dbraw/zinc/37/48/12/946374812.db2.gz QFSLPTWHMGJDGD-GOSISDBHSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302899891 946374822 /nfs/dbraw/zinc/37/48/22/946374822.db2.gz QFSLPTWHMGJDGD-GOSISDBHSA-N 2 2 357.546 3.558 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302920280 946386372 /nfs/dbraw/zinc/38/63/72/946386372.db2.gz ZCPZEABGQRSAKG-HNAYVOBHSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302920280 946386384 /nfs/dbraw/zinc/38/63/84/946386384.db2.gz ZCPZEABGQRSAKG-HNAYVOBHSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302920280 946386391 /nfs/dbraw/zinc/38/63/91/946386391.db2.gz ZCPZEABGQRSAKG-HNAYVOBHSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302920280 946386401 /nfs/dbraw/zinc/38/64/01/946386401.db2.gz ZCPZEABGQRSAKG-HNAYVOBHSA-N 2 2 357.527 3.633 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 ZINC000441377214 946531352 /nfs/dbraw/zinc/53/13/52/946531352.db2.gz AHTSMYOVWLCRNQ-TZIWHRDSSA-N 2 2 370.541 3.865 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877817 946812728 /nfs/dbraw/zinc/81/27/28/946812728.db2.gz ZMNQRIACFCTGGG-VJBWXMMDSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877817 946812738 /nfs/dbraw/zinc/81/27/38/946812738.db2.gz ZMNQRIACFCTGGG-VJBWXMMDSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877817 946812745 /nfs/dbraw/zinc/81/27/45/946812745.db2.gz ZMNQRIACFCTGGG-VJBWXMMDSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877817 946812754 /nfs/dbraw/zinc/81/27/54/946812754.db2.gz ZMNQRIACFCTGGG-VJBWXMMDSA-N 2 2 372.553 3.559 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000123743621 946879037 /nfs/dbraw/zinc/87/90/37/946879037.db2.gz BQGFBFOLUYSLGB-UHFFFAOYSA-N 2 2 368.506 3.624 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OCC2CC2)c(F)c1 ZINC000655723266 946891305 /nfs/dbraw/zinc/89/13/05/946891305.db2.gz MKSYBCUSWTZYRZ-KXBFYZLASA-N 2 2 362.489 3.518 20 0 FHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCSCC1 ZINC000475331225 946893506 /nfs/dbraw/zinc/89/35/06/946893506.db2.gz BWLHHXUVJBDWBU-JQRITLKVSA-N 2 2 350.494 3.913 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@H]1CC[NH3+] ZINC000652354031 946913147 /nfs/dbraw/zinc/91/31/47/946913147.db2.gz KTMFVZGNRXPUHE-WFASDCNBSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@H]1CC[NH3+] ZINC000652354031 946913157 /nfs/dbraw/zinc/91/31/57/946913157.db2.gz KTMFVZGNRXPUHE-WFASDCNBSA-N 2 2 368.403 3.705 20 0 FHADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(C2CCCCC2)cs1 ZINC000444668848 947094199 /nfs/dbraw/zinc/09/41/99/947094199.db2.gz ZXDJVMADHKZNJA-UHFFFAOYSA-N 2 2 364.603 3.649 20 0 FHADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(C2CCCCC2)cs1 ZINC000444668848 947094207 /nfs/dbraw/zinc/09/42/07/947094207.db2.gz ZXDJVMADHKZNJA-UHFFFAOYSA-N 2 2 364.603 3.649 20 0 FHADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192924565 947105755 /nfs/dbraw/zinc/10/57/55/947105755.db2.gz KXBVNLCXSZETHT-GOSISDBHSA-N 2 2 364.518 3.817 20 0 FHADLP c1sc(-c2ccccn2)nc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924565 947105766 /nfs/dbraw/zinc/10/57/66/947105766.db2.gz KXBVNLCXSZETHT-GOSISDBHSA-N 2 2 364.518 3.817 20 0 FHADLP CCc1ccccc1CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000444689801 947113934 /nfs/dbraw/zinc/11/39/34/947113934.db2.gz PICRGULCQRRCMP-JTHBVZDNSA-N 2 2 368.569 3.930 20 0 FHADLP CCc1ccccc1CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000444689801 947113926 /nfs/dbraw/zinc/11/39/26/947113926.db2.gz PICRGULCQRRCMP-JTHBVZDNSA-N 2 2 368.569 3.930 20 0 FHADLP CCc1ccccc1CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000444689801 947113929 /nfs/dbraw/zinc/11/39/29/947113929.db2.gz PICRGULCQRRCMP-JTHBVZDNSA-N 2 2 368.569 3.930 20 0 FHADLP CCc1ccccc1CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000444689801 947113938 /nfs/dbraw/zinc/11/39/38/947113938.db2.gz PICRGULCQRRCMP-JTHBVZDNSA-N 2 2 368.569 3.930 20 0 FHADLP CCCCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825272170 947142202 /nfs/dbraw/zinc/14/22/02/947142202.db2.gz XXEDNENKZBBHDN-QGZVFWFLSA-N 2 2 370.545 3.780 20 0 FHADLP c1csc(C[N@H+]2CCC[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000301234856 947244776 /nfs/dbraw/zinc/24/47/76/947244776.db2.gz JTUBFFOGLYEHGU-KRWDZBQOSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@@H](CNc3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000301234856 947244784 /nfs/dbraw/zinc/24/47/84/947244784.db2.gz JTUBFFOGLYEHGU-KRWDZBQOSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@H+]2CCC[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000301234856 947244788 /nfs/dbraw/zinc/24/47/88/947244788.db2.gz JTUBFFOGLYEHGU-KRWDZBQOSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@@H](CNc3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000301234856 947244794 /nfs/dbraw/zinc/24/47/94/947244794.db2.gz JTUBFFOGLYEHGU-KRWDZBQOSA-N 2 2 371.554 3.853 20 0 FHADLP c1coc([C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCCC2)c1 ZINC000301256061 947254004 /nfs/dbraw/zinc/25/40/04/947254004.db2.gz RBSVGDHSUCKKGY-QGZVFWFLSA-N 2 2 355.486 3.699 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301381212 947317836 /nfs/dbraw/zinc/31/78/36/947317836.db2.gz YSVINQYJOXMITP-QGZVFWFLSA-N 2 2 367.493 3.703 20 0 FHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccc4nccnc4n3)cc2)CC1 ZINC000301386778 947320061 /nfs/dbraw/zinc/32/00/61/947320061.db2.gz WDGASJPLTKFRPO-UHFFFAOYSA-N 2 2 362.481 3.546 20 0 FHADLP C[NH+]1CCC(CNC(=O)c2ccc(C3CCC3)cc2)([NH+]2CCCCC2)CC1 ZINC000188259121 947491708 /nfs/dbraw/zinc/49/17/08/947491708.db2.gz WRNXFISLDMJBCY-UHFFFAOYSA-N 2 2 369.553 3.634 20 0 FHADLP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1Cl ZINC000475622119 947565025 /nfs/dbraw/zinc/56/50/25/947565025.db2.gz FLITXUFSARIQJW-MRXNPFEDSA-N 2 2 366.292 3.680 20 0 FHADLP C[NH+](C)CCCC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000189145973 947621695 /nfs/dbraw/zinc/62/16/95/947621695.db2.gz QVWCMTZTRCQPET-UHFFFAOYSA-N 2 2 364.440 3.569 20 0 FHADLP Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(Cl)c1 ZINC000662281463 947705105 /nfs/dbraw/zinc/70/51/05/947705105.db2.gz XJUJCBIRMQLOLP-FQEVSTJZSA-N 2 2 360.860 3.698 20 0 FHADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(Cl)c1 ZINC000662281463 947705109 /nfs/dbraw/zinc/70/51/09/947705109.db2.gz XJUJCBIRMQLOLP-FQEVSTJZSA-N 2 2 360.860 3.698 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189438602 947716815 /nfs/dbraw/zinc/71/68/15/947716815.db2.gz DRMXWBUQNLCOOF-IRXDYDNUSA-N 2 2 356.489 3.754 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189438602 947716823 /nfs/dbraw/zinc/71/68/23/947716823.db2.gz DRMXWBUQNLCOOF-IRXDYDNUSA-N 2 2 356.489 3.754 20 0 FHADLP Cc1ccc(F)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000523936715 947741315 /nfs/dbraw/zinc/74/13/15/947741315.db2.gz FHBODOJVCRROOT-UHFFFAOYSA-N 2 2 369.528 3.822 20 0 FHADLP c1sc(C2CC2)nc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327761 947758234 /nfs/dbraw/zinc/75/82/34/947758234.db2.gz UVUIMKHYLZWLCP-UHFFFAOYSA-N 2 2 371.554 3.590 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365163 947763203 /nfs/dbraw/zinc/76/32/03/947763203.db2.gz PTCKEXOJDYDFDB-KSSFIOAISA-N 2 2 370.522 3.548 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365163 947763210 /nfs/dbraw/zinc/76/32/10/947763210.db2.gz PTCKEXOJDYDFDB-KSSFIOAISA-N 2 2 370.522 3.548 20 0 FHADLP CCOc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OCc1ccccc1 ZINC000663497483 948113953 /nfs/dbraw/zinc/11/39/53/948113953.db2.gz GCNGQHQAFWODSQ-UHFFFAOYSA-N 2 2 352.478 3.506 20 0 FHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663499072 948115454 /nfs/dbraw/zinc/11/54/54/948115454.db2.gz WIYSDWCJDBRCAJ-UHFFFAOYSA-N 2 2 364.518 3.502 20 0 FHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432350612 948192186 /nfs/dbraw/zinc/19/21/86/948192186.db2.gz DAWXDBSBVKKDHN-LJQANCHMSA-N 2 2 370.541 3.586 20 0 FHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432350612 948192191 /nfs/dbraw/zinc/19/21/91/948192191.db2.gz DAWXDBSBVKKDHN-LJQANCHMSA-N 2 2 370.541 3.586 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512017336 948199304 /nfs/dbraw/zinc/19/93/04/948199304.db2.gz VGGNLAJIIRMZRJ-QRWLVFNGSA-N 2 2 360.523 3.938 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512017335 948199524 /nfs/dbraw/zinc/19/95/24/948199524.db2.gz VGGNLAJIIRMZRJ-MGPUTAFESA-N 2 2 360.523 3.938 20 0 FHADLP CCC(C)(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441534076 948230245 /nfs/dbraw/zinc/23/02/45/948230245.db2.gz OSRFNAJNXXYRGI-HXUWFJFHSA-N 2 2 358.574 3.742 20 0 FHADLP CCC(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441534076 948230251 /nfs/dbraw/zinc/23/02/51/948230251.db2.gz OSRFNAJNXXYRGI-HXUWFJFHSA-N 2 2 358.574 3.742 20 0 FHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(OC(F)(F)F)c1 ZINC000512033016 948236284 /nfs/dbraw/zinc/23/62/84/948236284.db2.gz XTPIXZDEZZHUEJ-LLVKDONJSA-N 2 2 359.417 3.954 20 0 FHADLP Cc1nc(C[NH+]2CCC(CNc3[nH+]ccc4c(N)cccc43)CC2)oc1C ZINC000663593967 948270404 /nfs/dbraw/zinc/27/04/04/948270404.db2.gz SKWIDICCRRXLMM-UHFFFAOYSA-N 2 2 365.481 3.746 20 0 FHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc21 ZINC000432415227 948363445 /nfs/dbraw/zinc/36/34/45/948363445.db2.gz VLCTYAYOJLFOQD-DLBZAZTESA-N 2 2 360.498 3.983 20 0 FHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc21 ZINC000432415227 948363455 /nfs/dbraw/zinc/36/34/55/948363455.db2.gz VLCTYAYOJLFOQD-DLBZAZTESA-N 2 2 360.498 3.983 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420724 948375839 /nfs/dbraw/zinc/37/58/39/948375839.db2.gz LVYHTURQYTXECT-SDEKRAFDSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420724 948375843 /nfs/dbraw/zinc/37/58/43/948375843.db2.gz LVYHTURQYTXECT-SDEKRAFDSA-N 2 2 359.558 3.865 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000512083226 948385688 /nfs/dbraw/zinc/38/56/88/948385688.db2.gz OMWDXBLKVGGCBV-AWEZNQCLSA-N 2 2 355.320 3.668 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000512083226 948385693 /nfs/dbraw/zinc/38/56/93/948385693.db2.gz OMWDXBLKVGGCBV-AWEZNQCLSA-N 2 2 355.320 3.668 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279023672 948408660 /nfs/dbraw/zinc/40/86/60/948408660.db2.gz ANKZYJTWVZDDOY-GOSISDBHSA-N 2 2 361.493 3.583 20 0 FHADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000279036492 948421857 /nfs/dbraw/zinc/42/18/57/948421857.db2.gz CCLGOFXQCQEIEO-UHFFFAOYSA-N 2 2 373.566 3.687 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000512102002 948422666 /nfs/dbraw/zinc/42/26/66/948422666.db2.gz XFTGWCSANIXSLR-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP c1cncc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)c1 ZINC000280830591 948473317 /nfs/dbraw/zinc/47/33/17/948473317.db2.gz KZTYBZNBDKHPJV-QFIPXVFZSA-N 2 2 351.494 3.545 20 0 FHADLP Cc1[nH+]c2ccc(Br)cc2c(N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000520674093 948559854 /nfs/dbraw/zinc/55/98/54/948559854.db2.gz YLJUDMOFXXFTLY-NSHDSACASA-N 2 2 359.271 3.733 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ncc(C(F)(F)F)s2)c2cccc[nH+]2)CC1 ZINC000895114396 948720085 /nfs/dbraw/zinc/72/00/85/948720085.db2.gz ZYVHQSHKPGAJEC-HAQNSBGRSA-N 2 2 356.417 3.833 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000275709479 527512668 /nfs/dbraw/zinc/51/26/68/527512668.db2.gz YFGUPTROBHZQHA-DNVCBOLYSA-N 2 2 353.422 3.815 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000275702754 527512850 /nfs/dbraw/zinc/51/28/50/527512850.db2.gz XTEZCGXAOXCRHR-AEFFLSMTSA-N 2 2 356.857 3.632 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000275351993 527512961 /nfs/dbraw/zinc/51/29/61/527512961.db2.gz ACEJMTIXPJDNHO-UWJYYQICSA-N 2 2 355.482 3.751 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000601929822 567878742 /nfs/dbraw/zinc/87/87/42/567878742.db2.gz CDOYCXNTGBQUNM-CVEARBPZSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000601929822 567878744 /nfs/dbraw/zinc/87/87/44/567878744.db2.gz CDOYCXNTGBQUNM-CVEARBPZSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000601931259 567879105 /nfs/dbraw/zinc/87/91/05/567879105.db2.gz JSYRRHBSZRYDLP-INIZCTEOSA-N 2 2 371.481 3.544 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000601934179 567879948 /nfs/dbraw/zinc/87/99/48/567879948.db2.gz OFWLWVMVDDVECE-CVEARBPZSA-N 2 2 371.481 3.544 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000601934179 567879950 /nfs/dbraw/zinc/87/99/50/567879950.db2.gz OFWLWVMVDDVECE-CVEARBPZSA-N 2 2 371.481 3.544 20 0 FHADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cs2)ccc1O ZINC000602240684 567955327 /nfs/dbraw/zinc/95/53/27/567955327.db2.gz NOIUUWJRTRPEBL-MRXNPFEDSA-N 2 2 370.478 3.558 20 0 FHADLP COc1cc(-c2nc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cs2)ccc1O ZINC000602240684 567955328 /nfs/dbraw/zinc/95/53/28/567955328.db2.gz NOIUUWJRTRPEBL-MRXNPFEDSA-N 2 2 370.478 3.558 20 0 FHADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OCC3CC3)CC2)nc1 ZINC000063521861 567982786 /nfs/dbraw/zinc/98/27/86/567982786.db2.gz BYMLBIHQEFEMEE-UHFFFAOYSA-N 2 2 351.494 3.625 20 0 FHADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ncc(Br)cc2F)CC1 ZINC000186979308 568034120 /nfs/dbraw/zinc/03/41/20/568034120.db2.gz ZCZYOXBLQJCCMG-LBPRGKRZSA-N 2 2 358.299 3.754 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603863123 568172140 /nfs/dbraw/zinc/17/21/40/568172140.db2.gz RACJIJBOVHFIPF-OAHLLOKOSA-N 2 2 373.884 3.987 20 0 FHADLP CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603863123 568172141 /nfs/dbraw/zinc/17/21/41/568172141.db2.gz RACJIJBOVHFIPF-OAHLLOKOSA-N 2 2 373.884 3.987 20 0 FHADLP C[C@@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000187033307 568217389 /nfs/dbraw/zinc/21/73/89/568217389.db2.gz NTQOCWRWCBRQRE-STQMWFEESA-N 2 2 358.299 3.756 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1)C1CC1 ZINC000604299589 568244976 /nfs/dbraw/zinc/24/49/76/568244976.db2.gz GRPVIQIMZYQIGE-UHFFFAOYSA-N 2 2 374.488 3.787 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1)C1CC1 ZINC000604299589 568244977 /nfs/dbraw/zinc/24/49/77/568244977.db2.gz GRPVIQIMZYQIGE-UHFFFAOYSA-N 2 2 374.488 3.787 20 0 FHADLP FC(F)(F)c1ncc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000365215657 568326423 /nfs/dbraw/zinc/32/64/23/568326423.db2.gz CZGIXTJYBMFAFG-UHFFFAOYSA-N 2 2 369.456 3.959 20 0 FHADLP C[NH+](C)CC[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)C(C)(C)C ZINC000604773199 568363641 /nfs/dbraw/zinc/36/36/41/568363641.db2.gz KNBYZSJAPOMXCJ-UXHICEINSA-N 2 2 359.558 3.696 20 0 FHADLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000365294199 568436103 /nfs/dbraw/zinc/43/61/03/568436103.db2.gz WJOPJDHJFHSXJO-QGZVFWFLSA-N 2 2 354.454 3.822 20 0 FHADLP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000365441702 568680284 /nfs/dbraw/zinc/68/02/84/568680284.db2.gz YLOZWWYLTPAECF-JKSUJKDBSA-N 2 2 366.465 3.566 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813840 720118965 /nfs/dbraw/zinc/11/89/65/720118965.db2.gz RCPURLOYHPSJHZ-XXBNENTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813840 720118971 /nfs/dbraw/zinc/11/89/71/720118971.db2.gz RCPURLOYHPSJHZ-XXBNENTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815433 720202043 /nfs/dbraw/zinc/20/20/43/720202043.db2.gz ZDVQHYLBAXEHNV-SIKLNZKXSA-N 2 2 357.542 3.564 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815433 720202048 /nfs/dbraw/zinc/20/20/48/720202048.db2.gz ZDVQHYLBAXEHNV-SIKLNZKXSA-N 2 2 357.542 3.564 20 0 FHADLP Cc1cccc2c1cc[nH+]c2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164788894 721411494 /nfs/dbraw/zinc/41/14/94/721411494.db2.gz SLGOGQZGFBXURP-HZPDHXFCSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1cccc2cc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164780891 721432736 /nfs/dbraw/zinc/43/27/36/721432736.db2.gz AYSYWLCDGAWSAZ-IRXDYDNUSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792288 721496712 /nfs/dbraw/zinc/49/67/12/721496712.db2.gz NBTVLVYRXLTYPY-UHFFFAOYSA-N 2 2 354.473 3.805 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792288 721496714 /nfs/dbraw/zinc/49/67/14/721496714.db2.gz NBTVLVYRXLTYPY-UHFFFAOYSA-N 2 2 354.473 3.805 20 0 FHADLP Cc1cc(C)[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909959 721744130 /nfs/dbraw/zinc/74/41/30/721744130.db2.gz UWFZGJNZKIITGE-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Cc1cc(C)[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164909959 721744132 /nfs/dbraw/zinc/74/41/32/721744132.db2.gz UWFZGJNZKIITGE-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CO2 ZINC000583173403 937207566 /nfs/dbraw/zinc/20/75/66/937207566.db2.gz BMRRVIZSZYSFMX-ZDUSSCGKSA-N 2 2 350.249 3.639 20 0 FHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320453 928747581 /nfs/dbraw/zinc/74/75/81/928747581.db2.gz BSSCKZXPVBZAPN-LSDHHAIUSA-N 2 2 355.320 3.553 20 0 FHADLP C[C@@H](c1ccccc1Br)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320453 928747591 /nfs/dbraw/zinc/74/75/91/928747591.db2.gz BSSCKZXPVBZAPN-LSDHHAIUSA-N 2 2 355.320 3.553 20 0 FHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162841876 937319753 /nfs/dbraw/zinc/31/97/53/937319753.db2.gz YNICHMIRSVHEEF-INIZCTEOSA-N 2 2 367.497 3.908 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233868 929407417 /nfs/dbraw/zinc/40/74/17/929407417.db2.gz GGYBBDONYXDDCU-HARLFGEKSA-N 2 2 371.569 3.696 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233868 929407429 /nfs/dbraw/zinc/40/74/29/929407429.db2.gz GGYBBDONYXDDCU-HARLFGEKSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233868 929407432 /nfs/dbraw/zinc/40/74/32/929407432.db2.gz GGYBBDONYXDDCU-HARLFGEKSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@@H](C)C1 ZINC000471233868 929407436 /nfs/dbraw/zinc/40/74/36/929407436.db2.gz GGYBBDONYXDDCU-HARLFGEKSA-N 2 2 371.569 3.696 20 0 FHADLP Cc1ccc(C)c([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000180211426 929419753 /nfs/dbraw/zinc/41/97/53/929419753.db2.gz DOFVQJKRWZTTKQ-QHCPKHFHSA-N 2 2 352.522 3.829 20 0 FHADLP Brc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000180188227 929432484 /nfs/dbraw/zinc/43/24/84/929432484.db2.gz UNISGISSTVOZFK-HNNXBMFYSA-N 2 2 374.326 3.915 20 0 FHADLP Brc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000180188227 929432488 /nfs/dbraw/zinc/43/24/88/929432488.db2.gz UNISGISSTVOZFK-HNNXBMFYSA-N 2 2 374.326 3.915 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180402789 929495601 /nfs/dbraw/zinc/49/56/01/929495601.db2.gz RILOBMQRFIUVJL-HSZRJFAPSA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000583314978 937342828 /nfs/dbraw/zinc/34/28/28/937342828.db2.gz CBEAESRIIITGIQ-QGZVFWFLSA-N 2 2 355.320 3.839 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751373 937348382 /nfs/dbraw/zinc/34/83/82/937348382.db2.gz HSAGBAHWZUDHAV-JOCHJYFZSA-N 2 2 366.505 3.705 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)sc1Br ZINC000657752223 937350094 /nfs/dbraw/zinc/35/00/94/937350094.db2.gz NQWMTLABYOQRGP-GXTWGEPZSA-N 2 2 373.360 3.723 20 0 FHADLP Cc1[nH+]cc(C[NH2+][C@H](Cc2cccc(Br)c2)CC2CC2)n1C ZINC000583333695 937353941 /nfs/dbraw/zinc/35/39/41/937353941.db2.gz ZCGWELFKCSMPKI-KRWDZBQOSA-N 2 2 362.315 3.992 20 0 FHADLP CCc1oc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)OC ZINC000583369524 937384589 /nfs/dbraw/zinc/38/45/89/937384589.db2.gz OAYZHHFPIFMPQS-CQSZACIVSA-N 2 2 367.449 3.974 20 0 FHADLP CC[N@@H+](Cc1cc(C(=O)OC)oc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372098 930178381 /nfs/dbraw/zinc/17/83/81/930178381.db2.gz IZBXYFSLHVCIDV-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[N@H+](Cc1cc(C(=O)OC)oc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372098 930178383 /nfs/dbraw/zinc/17/83/83/930178383.db2.gz IZBXYFSLHVCIDV-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C(=O)OC)oc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372098 930178388 /nfs/dbraw/zinc/17/83/88/930178388.db2.gz IZBXYFSLHVCIDV-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C(=O)OC)oc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372098 930178393 /nfs/dbraw/zinc/17/83/93/930178393.db2.gz IZBXYFSLHVCIDV-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP C[N@H+](Cc1ccc2cnccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000683827558 930319721 /nfs/dbraw/zinc/31/97/21/930319721.db2.gz KMGKTKZGYOHBBA-UHFFFAOYSA-N 2 2 360.505 3.769 20 0 FHADLP C[N@@H+](Cc1ccc2cnccc2c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000683827558 930319724 /nfs/dbraw/zinc/31/97/24/930319724.db2.gz KMGKTKZGYOHBBA-UHFFFAOYSA-N 2 2 360.505 3.769 20 0 FHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000610409862 930426923 /nfs/dbraw/zinc/42/69/23/930426923.db2.gz MZWKOCSLQLLGML-OAHLLOKOSA-N 2 2 369.387 3.806 20 0 FHADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000610409862 930426926 /nfs/dbraw/zinc/42/69/26/930426926.db2.gz MZWKOCSLQLLGML-OAHLLOKOSA-N 2 2 369.387 3.806 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656249707 930839706 /nfs/dbraw/zinc/83/97/06/930839706.db2.gz APLBVXXRTJTUML-OAHLLOKOSA-N 2 2 355.873 3.937 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000656249707 930839712 /nfs/dbraw/zinc/83/97/12/930839712.db2.gz APLBVXXRTJTUML-OAHLLOKOSA-N 2 2 355.873 3.937 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000656253805 930870873 /nfs/dbraw/zinc/87/08/73/930870873.db2.gz WYCXCMYMJZWQGE-GOSISDBHSA-N 2 2 356.489 3.628 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000656253805 930870877 /nfs/dbraw/zinc/87/08/77/930870877.db2.gz WYCXCMYMJZWQGE-GOSISDBHSA-N 2 2 356.489 3.628 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc12 ZINC000656280998 931057097 /nfs/dbraw/zinc/05/70/97/931057097.db2.gz PJBYSBXLNPJSDQ-LJQANCHMSA-N 2 2 354.494 3.535 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc12 ZINC000656280998 931057105 /nfs/dbraw/zinc/05/71/05/931057105.db2.gz PJBYSBXLNPJSDQ-LJQANCHMSA-N 2 2 354.494 3.535 20 0 FHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281123 931057208 /nfs/dbraw/zinc/05/72/08/931057208.db2.gz MZOXYSDOHUGSTO-GOSISDBHSA-N 2 2 356.432 3.701 20 0 FHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281123 931057211 /nfs/dbraw/zinc/05/72/11/931057211.db2.gz MZOXYSDOHUGSTO-GOSISDBHSA-N 2 2 356.432 3.701 20 0 FHADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773824 931134629 /nfs/dbraw/zinc/13/46/29/931134629.db2.gz UFGUVNFSNSIGIW-JOCHJYFZSA-N 3 2 355.570 3.895 20 0 FHADLP CC1CC[NH+](CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773824 931134632 /nfs/dbraw/zinc/13/46/32/931134632.db2.gz UFGUVNFSNSIGIW-JOCHJYFZSA-N 3 2 355.570 3.895 20 0 FHADLP COc1cc2cc[nH+]c(N(C)CCC[N@H+](C)Cc3ccco3)c2cc1F ZINC000580914286 931338358 /nfs/dbraw/zinc/33/83/58/931338358.db2.gz RJIGKCRUEBSMLS-UHFFFAOYSA-N 2 2 357.429 3.934 20 0 FHADLP COc1cc2cc[nH+]c(N(C)CCC[N@@H+](C)Cc3ccco3)c2cc1F ZINC000580914286 931338365 /nfs/dbraw/zinc/33/83/65/931338365.db2.gz RJIGKCRUEBSMLS-UHFFFAOYSA-N 2 2 357.429 3.934 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000581038509 931513546 /nfs/dbraw/zinc/51/35/46/931513546.db2.gz MKVSCOSUPFONOZ-ICSRJNTNSA-N 2 2 362.521 3.882 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000581038509 931513563 /nfs/dbraw/zinc/51/35/63/931513563.db2.gz MKVSCOSUPFONOZ-ICSRJNTNSA-N 2 2 362.521 3.882 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560404 931846750 /nfs/dbraw/zinc/84/67/50/931846750.db2.gz WATUCEBMGVBNLB-DBVUQKKJSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560404 931846757 /nfs/dbraw/zinc/84/67/57/931846757.db2.gz WATUCEBMGVBNLB-DBVUQKKJSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560882 931849444 /nfs/dbraw/zinc/84/94/44/931849444.db2.gz YARGVAAMXQFLNI-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560882 931849449 /nfs/dbraw/zinc/84/94/49/931849449.db2.gz YARGVAAMXQFLNI-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560885 931850313 /nfs/dbraw/zinc/85/03/13/931850313.db2.gz YARGVAAMXQFLNI-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560885 931850318 /nfs/dbraw/zinc/85/03/18/931850318.db2.gz YARGVAAMXQFLNI-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562373 931863130 /nfs/dbraw/zinc/86/31/30/931863130.db2.gz DJQDRICYEKNIKU-WBVHZDCISA-N 2 2 359.901 3.873 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562373 931863133 /nfs/dbraw/zinc/86/31/33/931863133.db2.gz DJQDRICYEKNIKU-WBVHZDCISA-N 2 2 359.901 3.873 20 0 FHADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574919 931922218 /nfs/dbraw/zinc/92/22/18/931922218.db2.gz USTNEYHZKGRVHY-RXVVDRJESA-N 2 2 373.566 3.567 20 0 FHADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574919 931922223 /nfs/dbraw/zinc/92/22/23/931922223.db2.gz USTNEYHZKGRVHY-RXVVDRJESA-N 2 2 373.566 3.567 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581241 931955324 /nfs/dbraw/zinc/95/53/24/931955324.db2.gz UCLHLPRPIJBJGX-FXAWDEMLSA-N 2 2 353.510 3.986 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581241 931955331 /nfs/dbraw/zinc/95/53/31/931955331.db2.gz UCLHLPRPIJBJGX-FXAWDEMLSA-N 2 2 353.510 3.986 20 0 FHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043496 932021782 /nfs/dbraw/zinc/02/17/82/932021782.db2.gz AECKJHNNBGVXOK-FPOVZHCZSA-N 2 2 351.494 3.577 20 0 FHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043496 932021789 /nfs/dbraw/zinc/02/17/89/932021789.db2.gz AECKJHNNBGVXOK-FPOVZHCZSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043496 932021795 /nfs/dbraw/zinc/02/17/95/932021795.db2.gz AECKJHNNBGVXOK-FPOVZHCZSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043496 932021798 /nfs/dbraw/zinc/02/17/98/932021798.db2.gz AECKJHNNBGVXOK-FPOVZHCZSA-N 2 2 351.494 3.577 20 0 FHADLP COc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000581647163 932380704 /nfs/dbraw/zinc/38/07/04/932380704.db2.gz DXBLLVUVJIBDHA-XWSHUIEDSA-N 2 2 366.505 3.514 20 0 FHADLP COc1ccccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000581647163 932380709 /nfs/dbraw/zinc/38/07/09/932380709.db2.gz DXBLLVUVJIBDHA-XWSHUIEDSA-N 2 2 366.505 3.514 20 0 FHADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281896356 932569884 /nfs/dbraw/zinc/56/98/84/932569884.db2.gz BFPJPSHHSOYUIY-QGZVFWFLSA-N 2 2 361.493 3.851 20 0 FHADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281896356 932569891 /nfs/dbraw/zinc/56/98/91/932569891.db2.gz BFPJPSHHSOYUIY-QGZVFWFLSA-N 2 2 361.493 3.851 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@@H]3CCOc4ccccc43)C2)CC1 ZINC000684411423 932588020 /nfs/dbraw/zinc/58/80/20/932588020.db2.gz WZQODYXTRUGHEX-OOHWJJMZSA-N 2 2 368.443 3.948 20 0 FHADLP C[N@H+]1Cc2ccccc2[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196771 932946360 /nfs/dbraw/zinc/94/63/60/932946360.db2.gz MJUILZRKNKFFAM-GGAORHGYSA-N 2 2 361.533 3.960 20 0 FHADLP C[N@@H+]1Cc2ccccc2[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196771 932946365 /nfs/dbraw/zinc/94/63/65/932946365.db2.gz MJUILZRKNKFFAM-GGAORHGYSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196771 932946368 /nfs/dbraw/zinc/94/63/68/932946368.db2.gz MJUILZRKNKFFAM-GGAORHGYSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196771 932946373 /nfs/dbraw/zinc/94/63/73/932946373.db2.gz MJUILZRKNKFFAM-GGAORHGYSA-N 2 2 361.533 3.960 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccccn2)CC1 ZINC000092165555 933913641 /nfs/dbraw/zinc/91/36/41/933913641.db2.gz JRKSPRMBSLILSR-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccccn2)CC1 ZINC000092165555 933913648 /nfs/dbraw/zinc/91/36/48/933913648.db2.gz JRKSPRMBSLILSR-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000181009519 934521380 /nfs/dbraw/zinc/52/13/80/934521380.db2.gz WBIOTJOWAKLQPU-SFTDATJTSA-N 2 2 370.493 3.929 20 0 FHADLP c1cn(-c2csc(C[NH2+]CC[C@@H]3CSc4ccccc4O3)c2)c[nH+]1 ZINC000647227750 934624539 /nfs/dbraw/zinc/62/45/39/934624539.db2.gz PAQZWSPZYLIELU-OAHLLOKOSA-N 2 2 357.504 3.967 20 0 FHADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000537958868 934835193 /nfs/dbraw/zinc/83/51/93/934835193.db2.gz LICRWRVWCANZKF-DNVJHFABSA-N 2 2 368.496 3.883 20 0 FHADLP CCn1nc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c2ccccc21 ZINC000472036461 934864784 /nfs/dbraw/zinc/86/47/84/934864784.db2.gz DXXJPUDYLHBPLF-UHFFFAOYSA-N 2 2 363.440 3.979 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c(C)[nH+]1 ZINC000653178398 934970969 /nfs/dbraw/zinc/97/09/69/934970969.db2.gz RDSUMZDSHFSZEA-HKUYNNGSSA-N 2 2 352.482 3.964 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277390759 935066281 /nfs/dbraw/zinc/06/62/81/935066281.db2.gz GWRLKYFOHVWOEO-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277390759 935066288 /nfs/dbraw/zinc/06/62/88/935066288.db2.gz GWRLKYFOHVWOEO-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000431328692 935078508 /nfs/dbraw/zinc/07/85/08/935078508.db2.gz OFODLDFKFWDOQR-IEBWSBKVSA-N 2 2 366.933 3.545 20 0 FHADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311699 935106170 /nfs/dbraw/zinc/10/61/70/935106170.db2.gz RVYLBGLHJFOPGG-KRWDZBQOSA-N 2 2 353.514 3.667 20 0 FHADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311699 935106172 /nfs/dbraw/zinc/10/61/72/935106172.db2.gz RVYLBGLHJFOPGG-KRWDZBQOSA-N 2 2 353.514 3.667 20 0 FHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657312378 935126651 /nfs/dbraw/zinc/12/66/51/935126651.db2.gz HPESBBSIUOVDCZ-ROUUACIJSA-N 2 2 352.526 3.597 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664354 935206604 /nfs/dbraw/zinc/20/66/04/935206604.db2.gz DNUKAQRZZUUQQX-WMLDXEAASA-N 2 2 372.900 3.689 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664354 935206612 /nfs/dbraw/zinc/20/66/12/935206612.db2.gz DNUKAQRZZUUQQX-WMLDXEAASA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3F)c2)CCO1 ZINC000657329343 935232408 /nfs/dbraw/zinc/23/24/08/935232408.db2.gz LGQNIWYFEYAFJG-AWEZNQCLSA-N 2 2 364.411 3.614 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(F)c(F)c3F)c2)CCO1 ZINC000657329343 935232414 /nfs/dbraw/zinc/23/24/14/935232414.db2.gz LGQNIWYFEYAFJG-AWEZNQCLSA-N 2 2 364.411 3.614 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000152231697 935320910 /nfs/dbraw/zinc/32/09/10/935320910.db2.gz APLKTCGGZNUCNL-GOSISDBHSA-N 3 2 364.493 3.664 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cccc(F)c2OC(F)F)ccc1F ZINC000657364630 935390365 /nfs/dbraw/zinc/39/03/65/935390365.db2.gz XTCHVLCOIYGCML-UHFFFAOYSA-N 2 2 356.363 3.918 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657368342 935404525 /nfs/dbraw/zinc/40/45/25/935404525.db2.gz VRQCMENUDKIPFK-GOSISDBHSA-N 3 2 361.493 3.583 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657368342 935404529 /nfs/dbraw/zinc/40/45/29/935404529.db2.gz VRQCMENUDKIPFK-GOSISDBHSA-N 2 2 361.493 3.583 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000657375417 935450806 /nfs/dbraw/zinc/45/08/06/935450806.db2.gz YEGFPGFTZYTMAZ-OXQOHEQNSA-N 3 2 367.522 3.502 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000657375417 935450809 /nfs/dbraw/zinc/45/08/09/935450809.db2.gz YEGFPGFTZYTMAZ-OXQOHEQNSA-N 3 2 367.522 3.502 20 0 FHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582297809 935502422 /nfs/dbraw/zinc/50/24/22/935502422.db2.gz GASQJRZVWFQZDJ-UXHICEINSA-N 2 2 371.912 3.602 20 0 FHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582297811 935502683 /nfs/dbraw/zinc/50/26/83/935502683.db2.gz GASQJRZVWFQZDJ-WOJBJXKFSA-N 2 2 371.912 3.602 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1cccs1 ZINC000427122211 945107505 /nfs/dbraw/zinc/10/75/05/945107505.db2.gz ASRJFGONUDLAAR-SJLPKXTDSA-N 2 2 358.507 3.520 20 0 FHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1cccs1 ZINC000427122211 945107509 /nfs/dbraw/zinc/10/75/09/945107509.db2.gz ASRJFGONUDLAAR-SJLPKXTDSA-N 2 2 358.507 3.520 20 0 FHADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158448827 935571085 /nfs/dbraw/zinc/57/10/85/935571085.db2.gz FHVMEDHLQXBIKS-OAHLLOKOSA-N 2 2 373.570 3.573 20 0 FHADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158448959 935571260 /nfs/dbraw/zinc/57/12/60/935571260.db2.gz FHVMEDHLQXBIKS-HNNXBMFYSA-N 2 2 373.570 3.573 20 0 FHADLP CC(C)Sc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000511115568 935649111 /nfs/dbraw/zinc/64/91/11/935649111.db2.gz NHRKCJBUESCBIW-FQEVSTJZSA-N 2 2 361.599 3.789 20 0 FHADLP CC(C)Sc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000511115568 935649114 /nfs/dbraw/zinc/64/91/14/935649114.db2.gz NHRKCJBUESCBIW-FQEVSTJZSA-N 2 2 361.599 3.789 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657431061 935712319 /nfs/dbraw/zinc/71/23/19/935712319.db2.gz CQZQVXOVTKICRO-NJDAHSKKSA-N 2 2 352.526 3.854 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657431061 935712323 /nfs/dbraw/zinc/71/23/23/935712323.db2.gz CQZQVXOVTKICRO-NJDAHSKKSA-N 2 2 352.526 3.854 20 0 FHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000511168993 935849399 /nfs/dbraw/zinc/84/93/99/935849399.db2.gz JJNBEDROJUOFDS-MOPGFXCFSA-N 2 2 368.521 3.813 20 0 FHADLP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000152815242 935869088 /nfs/dbraw/zinc/86/90/88/935869088.db2.gz TWQQGCHBTFIDFO-HNNXBMFYSA-N 2 2 358.555 3.767 20 0 FHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793782 945130846 /nfs/dbraw/zinc/13/08/46/945130846.db2.gz QXKPDLOCZTXNBR-CWWFIGIMSA-N 2 2 372.459 3.859 20 0 FHADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793782 945130848 /nfs/dbraw/zinc/13/08/48/945130848.db2.gz QXKPDLOCZTXNBR-CWWFIGIMSA-N 2 2 372.459 3.859 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000130660726 935904515 /nfs/dbraw/zinc/90/45/15/935904515.db2.gz NTYIGZAEOKKOOF-YJBOKZPZSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000130660726 935904517 /nfs/dbraw/zinc/90/45/17/935904517.db2.gz NTYIGZAEOKKOOF-YJBOKZPZSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660726 935904518 /nfs/dbraw/zinc/90/45/18/935904518.db2.gz NTYIGZAEOKKOOF-YJBOKZPZSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660726 935904520 /nfs/dbraw/zinc/90/45/20/935904520.db2.gz NTYIGZAEOKKOOF-YJBOKZPZSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000657550012 936009580 /nfs/dbraw/zinc/00/95/80/936009580.db2.gz MWMAHOHNDMZDBK-WMLDXEAASA-N 2 2 364.415 3.638 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000657550012 936009582 /nfs/dbraw/zinc/00/95/82/936009582.db2.gz MWMAHOHNDMZDBK-WMLDXEAASA-N 2 2 364.415 3.638 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067852 938301351 /nfs/dbraw/zinc/30/13/51/938301351.db2.gz DFKNBSJUWYFMIB-IEBWSBKVSA-N 2 2 374.488 3.904 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067852 938301353 /nfs/dbraw/zinc/30/13/53/938301353.db2.gz DFKNBSJUWYFMIB-IEBWSBKVSA-N 2 2 374.488 3.904 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630195 938326254 /nfs/dbraw/zinc/32/62/54/938326254.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630195 938326255 /nfs/dbraw/zinc/32/62/55/938326255.db2.gz MYJVYBSWQREMJV-IFMALSPDSA-N 2 2 353.554 3.790 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703520 938366036 /nfs/dbraw/zinc/36/60/36/938366036.db2.gz ADMNBEZEACTWCF-IAGOWNOFSA-N 2 2 354.523 3.959 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703520 938366040 /nfs/dbraw/zinc/36/60/40/938366040.db2.gz ADMNBEZEACTWCF-IAGOWNOFSA-N 2 2 354.523 3.959 20 0 FHADLP CC(C)C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000583700680 938366215 /nfs/dbraw/zinc/36/62/15/938366215.db2.gz UKKBJEIFUUCKQY-CMKODMSKSA-N 2 2 356.514 3.716 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000132839500 938544384 /nfs/dbraw/zinc/54/43/84/938544384.db2.gz STBDTZVZABNVQS-LSDHHAIUSA-N 2 2 367.331 3.601 20 0 FHADLP COc1c(Br)cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000176805455 938544552 /nfs/dbraw/zinc/54/45/52/938544552.db2.gz GBCKBFZPNSOCJE-UHFFFAOYSA-N 2 2 372.266 3.933 20 0 FHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958677 938709954 /nfs/dbraw/zinc/70/99/54/938709954.db2.gz QCPANATXHKPTPT-QGZVFWFLSA-N 2 2 372.488 3.556 20 0 FHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958677 938709955 /nfs/dbraw/zinc/70/99/55/938709955.db2.gz QCPANATXHKPTPT-QGZVFWFLSA-N 2 2 372.488 3.556 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000506015974 945199256 /nfs/dbraw/zinc/19/92/56/945199256.db2.gz AXTMXKOSQOPEQI-UHFFFAOYSA-N 2 2 371.500 3.608 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000151879325 938810851 /nfs/dbraw/zinc/81/08/51/938810851.db2.gz YQPOHDUJWAJFMF-ZOCZFRKYSA-N 2 2 359.464 3.964 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc(F)cc1F ZINC000151879325 938810852 /nfs/dbraw/zinc/81/08/52/938810852.db2.gz YQPOHDUJWAJFMF-ZOCZFRKYSA-N 2 2 359.464 3.964 20 0 FHADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000091413383 938900853 /nfs/dbraw/zinc/90/08/53/938900853.db2.gz MGHJJAPLHWDBHW-QFIPXVFZSA-N 2 2 374.475 3.949 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000092072491 938910971 /nfs/dbraw/zinc/91/09/71/938910971.db2.gz QELJQTGFMXSVMV-CQSZACIVSA-N 2 2 369.387 3.739 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000092072491 938910972 /nfs/dbraw/zinc/91/09/72/938910972.db2.gz QELJQTGFMXSVMV-CQSZACIVSA-N 2 2 369.387 3.739 20 0 FHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000092565724 938919970 /nfs/dbraw/zinc/91/99/70/938919970.db2.gz ZQFHBGZFJYEYJL-UHFFFAOYSA-N 2 2 355.482 3.862 20 0 FHADLP CN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457751 938987857 /nfs/dbraw/zinc/98/78/57/938987857.db2.gz LYDJMYYISHNDKM-LJQANCHMSA-N 2 2 369.509 3.672 20 0 FHADLP CN(Cc1ccc(Oc2ccccc2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457751 938987858 /nfs/dbraw/zinc/98/78/58/938987858.db2.gz LYDJMYYISHNDKM-LJQANCHMSA-N 2 2 369.509 3.672 20 0 FHADLP CSc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000685470122 938989199 /nfs/dbraw/zinc/98/91/99/938989199.db2.gz ZBFNKCOTOVGCLT-DOMZBBRYSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000685470122 938989200 /nfs/dbraw/zinc/98/92/00/938989200.db2.gz ZBFNKCOTOVGCLT-DOMZBBRYSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000685470122 938989201 /nfs/dbraw/zinc/98/92/01/938989201.db2.gz ZBFNKCOTOVGCLT-DOMZBBRYSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000685470122 938989202 /nfs/dbraw/zinc/98/92/02/938989202.db2.gz ZBFNKCOTOVGCLT-DOMZBBRYSA-N 2 2 357.361 3.943 20 0 FHADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471271 938989420 /nfs/dbraw/zinc/98/94/20/938989420.db2.gz YMGUKFRUTHUDBZ-ICSRJNTNSA-N 2 2 358.917 3.501 20 0 FHADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471271 938989421 /nfs/dbraw/zinc/98/94/21/938989421.db2.gz YMGUKFRUTHUDBZ-ICSRJNTNSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471271 938989422 /nfs/dbraw/zinc/98/94/22/938989422.db2.gz YMGUKFRUTHUDBZ-ICSRJNTNSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471271 938989423 /nfs/dbraw/zinc/98/94/23/938989423.db2.gz YMGUKFRUTHUDBZ-ICSRJNTNSA-N 2 2 358.917 3.501 20 0 FHADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453237 939003462 /nfs/dbraw/zinc/00/34/62/939003462.db2.gz QGUZCCDAGHOKMD-JOCHJYFZSA-N 2 2 369.553 3.648 20 0 FHADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453237 939003463 /nfs/dbraw/zinc/00/34/63/939003463.db2.gz QGUZCCDAGHOKMD-JOCHJYFZSA-N 2 2 369.553 3.648 20 0 FHADLP Cc1ccc(-n2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)c(C(C)(C)C)n2)cc1 ZINC000685629709 939006323 /nfs/dbraw/zinc/00/63/23/939006323.db2.gz HKMNAIDCMLPEMU-KRWDZBQOSA-N 2 2 363.509 3.848 20 0 FHADLP FC(F)(F)Oc1cccc([C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000685662294 939010305 /nfs/dbraw/zinc/01/03/05/939010305.db2.gz IQJJVINRMLBLDZ-GUYCJALGSA-N 2 2 351.372 3.907 20 0 FHADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CSC2 ZINC000658185590 939060126 /nfs/dbraw/zinc/06/01/26/939060126.db2.gz JHRUYVDVVNENNB-KRWDZBQOSA-N 2 2 367.356 3.953 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC000658225484 939072302 /nfs/dbraw/zinc/07/23/02/939072302.db2.gz TWSWZGXZYBTYIM-GBESFXJTSA-N 2 2 369.484 3.620 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC000658225484 939072308 /nfs/dbraw/zinc/07/23/08/939072308.db2.gz TWSWZGXZYBTYIM-GBESFXJTSA-N 2 2 369.484 3.620 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1F ZINC000658225486 939072737 /nfs/dbraw/zinc/07/27/37/939072737.db2.gz TWSWZGXZYBTYIM-IPMKNSEASA-N 2 2 369.484 3.620 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1F ZINC000658225486 939072742 /nfs/dbraw/zinc/07/27/42/939072742.db2.gz TWSWZGXZYBTYIM-IPMKNSEASA-N 2 2 369.484 3.620 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229583 939075308 /nfs/dbraw/zinc/07/53/08/939075308.db2.gz RZMYJXNKNZUTAE-HKUYNNGSSA-N 2 2 357.542 3.963 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229583 939075310 /nfs/dbraw/zinc/07/53/10/939075310.db2.gz RZMYJXNKNZUTAE-HKUYNNGSSA-N 2 2 357.542 3.963 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000658292493 939100255 /nfs/dbraw/zinc/10/02/55/939100255.db2.gz ZURYGHWOZSONML-MSOLQXFVSA-N 2 2 367.331 3.743 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294023 939100337 /nfs/dbraw/zinc/10/03/37/939100337.db2.gz LHEFCXYLCNBBBQ-IEBWSBKVSA-N 2 2 364.917 3.705 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000658293885 939100707 /nfs/dbraw/zinc/10/07/07/939100707.db2.gz JTCYYBSZYZBMBF-WFASDCNBSA-N 2 2 374.859 3.845 20 0 FHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516779641 945231385 /nfs/dbraw/zinc/23/13/85/945231385.db2.gz HLPMKUGETVFCPX-QWFCFKBJSA-N 2 2 370.541 3.718 20 0 FHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000516779641 945231396 /nfs/dbraw/zinc/23/13/96/945231396.db2.gz HLPMKUGETVFCPX-QWFCFKBJSA-N 2 2 370.541 3.718 20 0 FHADLP O=C(C[C@@H]1CCC[NH2+]CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000427278997 945247939 /nfs/dbraw/zinc/24/79/39/945247939.db2.gz BBNRPBXJUGVXKA-MRXNPFEDSA-N 2 2 352.482 3.605 20 0 FHADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000507496631 945268480 /nfs/dbraw/zinc/26/84/80/945268480.db2.gz OWQPTOIHOFGHOO-SJORKVTESA-N 2 2 370.516 3.947 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804893 939920692 /nfs/dbraw/zinc/92/06/92/939920692.db2.gz KBCJSAPFQFWMPV-HNDWEXJHSA-N 2 2 357.448 3.873 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804893 939920696 /nfs/dbraw/zinc/92/06/96/939920696.db2.gz KBCJSAPFQFWMPV-HNDWEXJHSA-N 2 2 357.448 3.873 20 0 FHADLP Cc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(N(C)C)[nH+]1 ZINC000152775412 940107386 /nfs/dbraw/zinc/10/73/86/940107386.db2.gz SQMGEUVCTAESGH-UHFFFAOYSA-N 2 2 373.545 3.576 20 0 FHADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000414061152 940470037 /nfs/dbraw/zinc/47/00/37/940470037.db2.gz KDCYQPZQIMBKAC-AWEZNQCLSA-N 2 2 361.511 3.621 20 0 FHADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000414061152 940470039 /nfs/dbraw/zinc/47/00/39/940470039.db2.gz KDCYQPZQIMBKAC-AWEZNQCLSA-N 2 2 361.511 3.621 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000414084105 940489164 /nfs/dbraw/zinc/48/91/64/940489164.db2.gz XKEYCXWNVSZLPP-GOSISDBHSA-N 2 2 354.494 3.687 20 0 FHADLP CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000613453204 940720672 /nfs/dbraw/zinc/72/06/72/940720672.db2.gz LDARPWJZJQNKBS-NRFANRHFSA-N 2 2 374.569 3.674 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000414273902 940872201 /nfs/dbraw/zinc/87/22/01/940872201.db2.gz TYXVIBHCLIYBLV-SYYKKAFVSA-N 2 2 353.510 3.578 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000414273902 940872206 /nfs/dbraw/zinc/87/22/06/940872206.db2.gz TYXVIBHCLIYBLV-SYYKKAFVSA-N 2 2 353.510 3.578 20 0 FHADLP C[N@H+](CCSc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260093 941111904 /nfs/dbraw/zinc/11/19/04/941111904.db2.gz VIKZLWMGPDTPLC-UHFFFAOYSA-N 2 2 373.541 3.952 20 0 FHADLP C[N@@H+](CCSc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260093 941111905 /nfs/dbraw/zinc/11/19/05/941111905.db2.gz VIKZLWMGPDTPLC-UHFFFAOYSA-N 2 2 373.541 3.952 20 0 FHADLP Clc1cccc(-c2noc(CC[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000570945857 941351227 /nfs/dbraw/zinc/35/12/27/941351227.db2.gz JGMPBIFJSGWJFW-DLBZAZTESA-N 2 2 360.889 3.539 20 0 FHADLP Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@@H]3[C@@H]3CCC[NH2+]3)n2)c1 ZINC000570945857 941351229 /nfs/dbraw/zinc/35/12/29/941351229.db2.gz JGMPBIFJSGWJFW-DLBZAZTESA-N 2 2 360.889 3.539 20 0 FHADLP [NH2+]=C(Nc1cc(Cl)nc2cccc(Br)c21)SCC[NH3+] ZINC001167913515 941372539 /nfs/dbraw/zinc/37/25/39/941372539.db2.gz ZAZCIOVLZIPVRO-UHFFFAOYSA-N 2 2 359.680 3.689 20 0 FHADLP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673509 941377104 /nfs/dbraw/zinc/37/71/04/941377104.db2.gz RBGKEJAWNVASDD-UGKGYDQZSA-N 2 2 350.510 3.820 20 0 FHADLP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673509 941377107 /nfs/dbraw/zinc/37/71/07/941377107.db2.gz RBGKEJAWNVASDD-UGKGYDQZSA-N 2 2 350.510 3.820 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820996 941437965 /nfs/dbraw/zinc/43/79/65/941437965.db2.gz CLDLBTYDAVIURX-QUCCMNQESA-N 2 2 352.526 3.710 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820996 941437967 /nfs/dbraw/zinc/43/79/67/941437967.db2.gz CLDLBTYDAVIURX-QUCCMNQESA-N 2 2 352.526 3.710 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820994 941438121 /nfs/dbraw/zinc/43/81/21/941438121.db2.gz CLDLBTYDAVIURX-AZUAARDMSA-N 2 2 352.526 3.710 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820994 941438124 /nfs/dbraw/zinc/43/81/24/941438124.db2.gz CLDLBTYDAVIURX-AZUAARDMSA-N 2 2 352.526 3.710 20 0 FHADLP COc1ncc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000377114631 941523519 /nfs/dbraw/zinc/52/35/19/941523519.db2.gz NDPRUEYGTSEBAX-GFCCVEGCSA-N 2 2 360.820 3.919 20 0 FHADLP C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415055584 941575632 /nfs/dbraw/zinc/57/56/32/941575632.db2.gz OKRDOWPPCXYGNA-FOIQADDNSA-N 2 2 359.901 3.731 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415055584 941575636 /nfs/dbraw/zinc/57/56/36/941575636.db2.gz OKRDOWPPCXYGNA-FOIQADDNSA-N 2 2 359.901 3.731 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000415062760 941581082 /nfs/dbraw/zinc/58/10/82/941581082.db2.gz GCIQRPNWALCZDQ-OXQOHEQNSA-N 2 2 353.510 3.873 20 0 FHADLP CCCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000313888227 941652889 /nfs/dbraw/zinc/65/28/89/941652889.db2.gz PWCAOIIRRDRYCI-UHFFFAOYSA-N 2 2 355.320 3.812 20 0 FHADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000163721819 941662131 /nfs/dbraw/zinc/66/21/31/941662131.db2.gz GTLJROYRDJWSGI-SFHVURJKSA-N 2 2 371.550 3.705 20 0 FHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770653 941731029 /nfs/dbraw/zinc/73/10/29/941731029.db2.gz MKBMZRDCZRWIBJ-HJNYFJLDSA-N 2 2 356.485 3.749 20 0 FHADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770653 941731032 /nfs/dbraw/zinc/73/10/32/941731032.db2.gz MKBMZRDCZRWIBJ-HJNYFJLDSA-N 2 2 356.485 3.749 20 0 FHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Cl)c1 ZINC000472775918 941748845 /nfs/dbraw/zinc/74/88/45/941748845.db2.gz VMUWSLFMRYTICS-LRQRDZAKSA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Cl)c1 ZINC000472775918 941748847 /nfs/dbraw/zinc/74/88/47/941748847.db2.gz VMUWSLFMRYTICS-LRQRDZAKSA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000377652411 941871103 /nfs/dbraw/zinc/87/11/03/941871103.db2.gz KRSUBMFDMPUITO-OAHLLOKOSA-N 2 2 373.522 3.504 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377703858 941918997 /nfs/dbraw/zinc/91/89/97/941918997.db2.gz PYBQXVWCWMUNRN-NYVOZVTQSA-N 2 2 351.494 3.750 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377703858 941918999 /nfs/dbraw/zinc/91/89/99/941918999.db2.gz PYBQXVWCWMUNRN-NYVOZVTQSA-N 2 2 351.494 3.750 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000377716076 941928096 /nfs/dbraw/zinc/92/80/96/941928096.db2.gz FCNADYBQJCJQBH-QGZVFWFLSA-N 2 2 351.454 3.721 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000377716076 941928099 /nfs/dbraw/zinc/92/80/99/941928099.db2.gz FCNADYBQJCJQBH-QGZVFWFLSA-N 2 2 351.454 3.721 20 0 FHADLP C[C@@H](CCCC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415602119 941941068 /nfs/dbraw/zinc/94/10/68/941941068.db2.gz XOYYBAONWPXKOX-HNNXBMFYSA-N 2 2 355.486 3.525 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434018735 942042341 /nfs/dbraw/zinc/04/23/41/942042341.db2.gz RPXICICWNZJXOL-PGRDOPGGSA-N 2 2 370.541 3.642 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434018735 942042346 /nfs/dbraw/zinc/04/23/46/942042346.db2.gz RPXICICWNZJXOL-PGRDOPGGSA-N 2 2 370.541 3.642 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434018735 942042351 /nfs/dbraw/zinc/04/23/51/942042351.db2.gz RPXICICWNZJXOL-PGRDOPGGSA-N 2 2 370.541 3.642 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434018735 942042356 /nfs/dbraw/zinc/04/23/56/942042356.db2.gz RPXICICWNZJXOL-PGRDOPGGSA-N 2 2 370.541 3.642 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000434021094 942043288 /nfs/dbraw/zinc/04/32/88/942043288.db2.gz INUVODMWZKTBCL-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000434021094 942043290 /nfs/dbraw/zinc/04/32/90/942043290.db2.gz INUVODMWZKTBCL-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000434021094 942043294 /nfs/dbraw/zinc/04/32/94/942043294.db2.gz INUVODMWZKTBCL-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000434021094 942043298 /nfs/dbraw/zinc/04/32/98/942043298.db2.gz INUVODMWZKTBCL-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC(C)Oc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434027111 942053263 /nfs/dbraw/zinc/05/32/63/942053263.db2.gz JEAPXANZAUABQL-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434027111 942053267 /nfs/dbraw/zinc/05/32/67/942053267.db2.gz JEAPXANZAUABQL-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434027111 942053272 /nfs/dbraw/zinc/05/32/72/942053272.db2.gz JEAPXANZAUABQL-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434027111 942053276 /nfs/dbraw/zinc/05/32/76/942053276.db2.gz JEAPXANZAUABQL-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000280130602 942116813 /nfs/dbraw/zinc/11/68/13/942116813.db2.gz DCVRJHARVSSGFV-LLGFUMIMSA-N 2 2 373.541 3.607 20 0 FHADLP Clc1ccccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000216163952 942203321 /nfs/dbraw/zinc/20/33/21/942203321.db2.gz DOQKXQNGTSTQCT-UHFFFAOYSA-N 2 2 373.928 3.813 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000280721083 942234955 /nfs/dbraw/zinc/23/49/55/942234955.db2.gz CBYMCOIWHNRKKQ-NXVRBGIVSA-N 2 2 351.454 3.941 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000280721076 942235160 /nfs/dbraw/zinc/23/51/60/942235160.db2.gz CBYMCOIWHNRKKQ-MXWWQKGMSA-N 2 2 351.454 3.941 20 0 FHADLP CCOc1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420904454 942246964 /nfs/dbraw/zinc/24/69/64/942246964.db2.gz POYALHAIRYUMRX-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP CCOc1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420904454 942246969 /nfs/dbraw/zinc/24/69/69/942246969.db2.gz POYALHAIRYUMRX-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP COc1ccccc1[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420917538 942254009 /nfs/dbraw/zinc/25/40/09/942254009.db2.gz SIXMMYFORDSRHD-NRFANRHFSA-N 2 2 366.505 3.517 20 0 FHADLP COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420917538 942254011 /nfs/dbraw/zinc/25/40/11/942254011.db2.gz SIXMMYFORDSRHD-NRFANRHFSA-N 2 2 366.505 3.517 20 0 FHADLP Clc1cccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)c1 ZINC000420951241 942272319 /nfs/dbraw/zinc/27/23/19/942272319.db2.gz SIWSVPWUOXEIBP-UHFFFAOYSA-N 2 2 356.897 3.951 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414419484 942325351 /nfs/dbraw/zinc/32/53/51/942325351.db2.gz ZSCJJCZUGHUWNI-VGOFRKELSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414419484 942325356 /nfs/dbraw/zinc/32/53/56/942325356.db2.gz ZSCJJCZUGHUWNI-VGOFRKELSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414419484 942325360 /nfs/dbraw/zinc/32/53/60/942325360.db2.gz ZSCJJCZUGHUWNI-VGOFRKELSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414419484 942325365 /nfs/dbraw/zinc/32/53/65/942325365.db2.gz ZSCJJCZUGHUWNI-VGOFRKELSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000414423851 942344830 /nfs/dbraw/zinc/34/48/30/942344830.db2.gz BDUMBSUBGTXJRE-QGZVFWFLSA-N 2 2 367.472 3.508 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000414423851 942344838 /nfs/dbraw/zinc/34/48/38/942344838.db2.gz BDUMBSUBGTXJRE-QGZVFWFLSA-N 2 2 367.472 3.508 20 0 FHADLP c1cnn(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)c1 ZINC000502342790 942371078 /nfs/dbraw/zinc/37/10/78/942371078.db2.gz CDVHOQLYCNNAAE-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP c1cnn(-c2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)c1 ZINC000502342790 942371083 /nfs/dbraw/zinc/37/10/83/942371083.db2.gz CDVHOQLYCNNAAE-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502397022 942422607 /nfs/dbraw/zinc/42/26/07/942422607.db2.gz CMXVWCGYDVNLNF-GOSISDBHSA-N 2 2 364.493 3.805 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502397022 942422610 /nfs/dbraw/zinc/42/26/10/942422610.db2.gz CMXVWCGYDVNLNF-GOSISDBHSA-N 2 2 364.493 3.805 20 0 FHADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414821881 942434739 /nfs/dbraw/zinc/43/47/39/942434739.db2.gz CUOSDIAAIABJQR-NRFANRHFSA-N 2 2 364.493 3.998 20 0 FHADLP c1cncc([C@@H]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000501377382 942441493 /nfs/dbraw/zinc/44/14/93/942441493.db2.gz KWRWFLLRHVFKDA-FYYLOGMGSA-N 2 2 365.521 3.730 20 0 FHADLP c1cncc([C@H]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000501377385 942442054 /nfs/dbraw/zinc/44/20/54/942442054.db2.gz KWRWFLLRHVFKDA-GMAHTHKFSA-N 2 2 365.521 3.730 20 0 FHADLP Fc1ccc(Br)c(F)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000501479958 942504040 /nfs/dbraw/zinc/50/40/40/942504040.db2.gz PGWYPNZTOOUTHN-UHFFFAOYSA-N 2 2 356.214 3.714 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967190 942605012 /nfs/dbraw/zinc/60/50/12/942605012.db2.gz JSPMHJBCYXYYKB-RTWAWAEBSA-N 2 2 365.606 3.998 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967190 942605019 /nfs/dbraw/zinc/60/50/19/942605019.db2.gz JSPMHJBCYXYYKB-RTWAWAEBSA-N 2 2 365.606 3.998 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285564 942605121 /nfs/dbraw/zinc/60/51/21/942605121.db2.gz FELNQTPXQSBNLM-VPWXQRGCSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285564 942605126 /nfs/dbraw/zinc/60/51/26/942605126.db2.gz FELNQTPXQSBNLM-VPWXQRGCSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331005 942631383 /nfs/dbraw/zinc/63/13/83/942631383.db2.gz BGTWIPQUYRBSTF-WBMJQRKESA-N 2 2 370.324 3.784 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000420354783 942634924 /nfs/dbraw/zinc/63/49/24/942634924.db2.gz DKDNYYMGWTXAJG-HRAATJIYSA-N 2 2 353.510 3.514 20 0 FHADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420359718 942638021 /nfs/dbraw/zinc/63/80/21/942638021.db2.gz KEJXJDRIQIYJKB-RTBURBONSA-N 2 2 359.558 3.611 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000420366408 942641018 /nfs/dbraw/zinc/64/10/18/942641018.db2.gz ULYSIBAKWAYXGF-SJKOYZFVSA-N 2 2 372.340 3.668 20 0 FHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420386527 942649596 /nfs/dbraw/zinc/64/95/96/942649596.db2.gz GALJYUGTUAVHLG-APWZRJJASA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420386527 942649602 /nfs/dbraw/zinc/64/96/02/942649602.db2.gz GALJYUGTUAVHLG-APWZRJJASA-N 2 2 357.523 3.783 20 0 FHADLP C[NH2+]CCC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000420422470 942659379 /nfs/dbraw/zinc/65/93/79/942659379.db2.gz ZNDNNHAMXNGNES-NSHDSACASA-N 2 2 354.317 3.833 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401416 942661154 /nfs/dbraw/zinc/66/11/54/942661154.db2.gz JGXKCNQGFYHWAS-DYEKYZERSA-N 2 2 368.403 3.733 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401416 942661158 /nfs/dbraw/zinc/66/11/58/942661158.db2.gz JGXKCNQGFYHWAS-DYEKYZERSA-N 2 2 368.403 3.733 20 0 FHADLP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])Nc1cc2c3c(c1)CCC[NH+]3CCC2 ZINC001167945944 942662117 /nfs/dbraw/zinc/66/21/17/942662117.db2.gz WGEQRGHLOXSOCR-IBGZPJMESA-N 2 2 373.541 3.637 20 0 FHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403790 942662159 /nfs/dbraw/zinc/66/21/59/942662159.db2.gz RRUOSHGNIYMXCB-DENIHFKCSA-N 2 2 363.505 3.756 20 0 FHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403790 942662164 /nfs/dbraw/zinc/66/21/64/942662164.db2.gz RRUOSHGNIYMXCB-DENIHFKCSA-N 2 2 363.505 3.756 20 0 FHADLP CC[N@H+](CCOCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973843 942707322 /nfs/dbraw/zinc/70/73/22/942707322.db2.gz VKWSBNWKEJVUAW-UHFFFAOYSA-N 2 2 353.510 3.837 20 0 FHADLP CC[N@@H+](CCOCc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659973843 942707327 /nfs/dbraw/zinc/70/73/27/942707327.db2.gz VKWSBNWKEJVUAW-UHFFFAOYSA-N 2 2 353.510 3.837 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000514089396 942740678 /nfs/dbraw/zinc/74/06/78/942740678.db2.gz PPPQHLLVXGTFNG-HNNXBMFYSA-N 2 2 369.490 3.673 20 0 FHADLP C[NH+](C)[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425090802 942751688 /nfs/dbraw/zinc/75/16/88/942751688.db2.gz XVIVEAJQNPGULQ-KRWDZBQOSA-N 2 2 372.538 3.541 20 0 FHADLP C[NH+](C)[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425090802 942751694 /nfs/dbraw/zinc/75/16/94/942751694.db2.gz XVIVEAJQNPGULQ-KRWDZBQOSA-N 2 2 372.538 3.541 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428784 942754187 /nfs/dbraw/zinc/75/41/87/942754187.db2.gz KENGSEXRZJWZPX-DOXZYTNZSA-N 2 2 354.523 3.978 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428784 942754192 /nfs/dbraw/zinc/75/41/92/942754192.db2.gz KENGSEXRZJWZPX-DOXZYTNZSA-N 2 2 354.523 3.978 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660000456 942822507 /nfs/dbraw/zinc/82/25/07/942822507.db2.gz AYETUZDLIRQLHC-AEFFLSMTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660000456 942822519 /nfs/dbraw/zinc/82/25/19/942822519.db2.gz AYETUZDLIRQLHC-AEFFLSMTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660000456 942822527 /nfs/dbraw/zinc/82/25/27/942822527.db2.gz AYETUZDLIRQLHC-AEFFLSMTSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000660000456 942822534 /nfs/dbraw/zinc/82/25/34/942822534.db2.gz AYETUZDLIRQLHC-AEFFLSMTSA-N 2 2 361.555 3.812 20 0 FHADLP COC1([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCCC1 ZINC000421834602 942838866 /nfs/dbraw/zinc/83/88/66/942838866.db2.gz KVRIWGFGFYJWTO-KRWDZBQOSA-N 2 2 360.546 3.762 20 0 FHADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000584568907 942848355 /nfs/dbraw/zinc/84/83/55/942848355.db2.gz PJLZPSBPFIEDKB-IBGZPJMESA-N 2 2 352.482 3.699 20 0 FHADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000584568907 942848362 /nfs/dbraw/zinc/84/83/62/942848362.db2.gz PJLZPSBPFIEDKB-IBGZPJMESA-N 2 2 352.482 3.699 20 0 FHADLP COC1([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCC1 ZINC000421848883 942859361 /nfs/dbraw/zinc/85/93/61/942859361.db2.gz BAMJDVSDARKPAQ-KRWDZBQOSA-N 2 2 373.541 3.547 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899312 /nfs/dbraw/zinc/89/93/12/942899312.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 2 370.541 3.895 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899316 /nfs/dbraw/zinc/89/93/16/942899316.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 2 370.541 3.895 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899320 /nfs/dbraw/zinc/89/93/20/942899320.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 2 370.541 3.895 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730232 942899327 /nfs/dbraw/zinc/89/93/27/942899327.db2.gz YMAISNGMVRFDRW-LQBOVUBWSA-N 2 2 370.541 3.895 20 0 FHADLP CC[C@H](C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000513762427 942924044 /nfs/dbraw/zinc/92/40/44/942924044.db2.gz RHDVHSXAKLUKSM-IRLDBZIGSA-N 2 2 353.510 3.838 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738191 942931423 /nfs/dbraw/zinc/93/14/23/942931423.db2.gz RQFQNRAFRBEOLE-KAGYGMCKSA-N 2 2 354.542 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738191 942931426 /nfs/dbraw/zinc/93/14/26/942931426.db2.gz RQFQNRAFRBEOLE-KAGYGMCKSA-N 2 2 354.542 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738191 942931431 /nfs/dbraw/zinc/93/14/31/942931431.db2.gz RQFQNRAFRBEOLE-KAGYGMCKSA-N 2 2 354.542 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738191 942931437 /nfs/dbraw/zinc/93/14/37/942931437.db2.gz RQFQNRAFRBEOLE-KAGYGMCKSA-N 2 2 354.542 3.929 20 0 FHADLP COCC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742051 942934273 /nfs/dbraw/zinc/93/42/73/942934273.db2.gz LZEPCGBIUSZAHR-BDTNDASRSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742051 942934278 /nfs/dbraw/zinc/93/42/78/942934278.db2.gz LZEPCGBIUSZAHR-BDTNDASRSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434742051 942934284 /nfs/dbraw/zinc/93/42/84/942934284.db2.gz LZEPCGBIUSZAHR-BDTNDASRSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434742051 942934285 /nfs/dbraw/zinc/93/42/85/942934285.db2.gz LZEPCGBIUSZAHR-BDTNDASRSA-N 2 2 353.510 3.784 20 0 FHADLP CC[C@@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000503048998 942938521 /nfs/dbraw/zinc/93/85/21/942938521.db2.gz XUKGZJCJFAYJSX-SFHVURJKSA-N 2 2 352.526 3.640 20 0 FHADLP CC[C@@H](CC1CCCC1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023554 942941489 /nfs/dbraw/zinc/94/14/89/942941489.db2.gz PVGMBRDZUGPFCZ-FQEVSTJZSA-N 2 2 363.590 3.612 20 0 FHADLP CC[C@@H](CC1CCCC1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023554 942941492 /nfs/dbraw/zinc/94/14/92/942941492.db2.gz PVGMBRDZUGPFCZ-FQEVSTJZSA-N 2 2 363.590 3.612 20 0 FHADLP Fc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC000273421344 942953383 /nfs/dbraw/zinc/95/33/83/942953383.db2.gz JJGWUBSQVXSDEF-WOJBJXKFSA-N 2 2 355.457 3.699 20 0 FHADLP Cc1nc(C(F)(F)F)c(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000363888022 942968793 /nfs/dbraw/zinc/96/87/93/942968793.db2.gz OWYYXQGBCJMGLB-UHFFFAOYSA-N 2 2 370.444 3.966 20 0 FHADLP CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422196804 943050467 /nfs/dbraw/zinc/05/04/67/943050467.db2.gz AEXNQASPMLOMHQ-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422196804 943050470 /nfs/dbraw/zinc/05/04/70/943050470.db2.gz AEXNQASPMLOMHQ-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP COc1cccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272269570 943125938 /nfs/dbraw/zinc/12/59/38/943125938.db2.gz NAYOLNMHAPHORD-INIZCTEOSA-N 2 2 354.498 3.794 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)COC2 ZINC000272314255 943134687 /nfs/dbraw/zinc/13/46/87/943134687.db2.gz UMXVZCJZQCBYBN-MRXNPFEDSA-N 2 2 366.509 3.815 20 0 FHADLP C[C@@H]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000272498308 943166260 /nfs/dbraw/zinc/16/62/60/943166260.db2.gz DIXKPLDRECCAHG-APWZRJJASA-N 2 2 369.475 3.656 20 0 FHADLP C[C@@H]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000272498308 943166263 /nfs/dbraw/zinc/16/62/63/943166263.db2.gz DIXKPLDRECCAHG-APWZRJJASA-N 2 2 369.475 3.656 20 0 FHADLP O[C@@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000272612297 943186539 /nfs/dbraw/zinc/18/65/39/943186539.db2.gz WLDGCVFIFJZRIB-KRWDZBQOSA-N 2 2 356.432 3.507 20 0 FHADLP O[C@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000272612301 943186849 /nfs/dbraw/zinc/18/68/49/943186849.db2.gz WLDGCVFIFJZRIB-QGZVFWFLSA-N 2 2 356.432 3.507 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000272716582 943208101 /nfs/dbraw/zinc/20/81/01/943208101.db2.gz YVPRBAKDWMFUFM-QZTJIDSGSA-N 2 2 356.470 3.574 20 0 FHADLP CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000272716580 943208739 /nfs/dbraw/zinc/20/87/39/943208739.db2.gz YVPRBAKDWMFUFM-MSOLQXFVSA-N 2 2 356.470 3.574 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000272994980 943257717 /nfs/dbraw/zinc/25/77/17/943257717.db2.gz ZUQPCATWSONBNG-HNNXBMFYSA-N 2 2 353.495 3.648 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422796801 943287050 /nfs/dbraw/zinc/28/70/50/943287050.db2.gz ZBKNBXRPSLUPRT-PJSUUKDQSA-N 2 2 360.885 3.916 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836566 943301226 /nfs/dbraw/zinc/30/12/26/943301226.db2.gz KIUXCFMDMLEAIM-UWVAXJGDSA-N 3 2 352.526 3.552 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836566 943301230 /nfs/dbraw/zinc/30/12/30/943301230.db2.gz KIUXCFMDMLEAIM-UWVAXJGDSA-N 3 2 352.526 3.552 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880443 943314902 /nfs/dbraw/zinc/31/49/02/943314902.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 3 2 352.526 3.823 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880443 943314904 /nfs/dbraw/zinc/31/49/04/943314904.db2.gz LWVMFCVGOJSVRW-FGTMMUONSA-N 3 2 352.526 3.823 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422888846 943319105 /nfs/dbraw/zinc/31/91/05/943319105.db2.gz DSLNTDPHUXVCRZ-UXHICEINSA-N 2 2 355.457 3.698 20 0 FHADLP [NH3+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000435373430 943355297 /nfs/dbraw/zinc/35/52/97/943355297.db2.gz NJAHMHUCMWKDGV-UHFFFAOYSA-N 2 2 352.507 3.583 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1)CC1CC1 ZINC000514893182 943356690 /nfs/dbraw/zinc/35/66/90/943356690.db2.gz DNVWURDBJBBAKD-UHFFFAOYSA-N 2 2 369.513 3.700 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1)CC1CC1 ZINC000514893182 943356693 /nfs/dbraw/zinc/35/66/93/943356693.db2.gz DNVWURDBJBBAKD-UHFFFAOYSA-N 2 2 369.513 3.700 20 0 FHADLP COc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2OC)cc1 ZINC000422997441 943359833 /nfs/dbraw/zinc/35/98/33/943359833.db2.gz BBQHBBHZLATLNP-QOPFVKLFSA-N 2 2 352.478 3.666 20 0 FHADLP FC(F)Oc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435389530 943376181 /nfs/dbraw/zinc/37/61/81/943376181.db2.gz LFKIIKDXMUOBEW-GOSISDBHSA-N 2 2 361.436 3.827 20 0 FHADLP FC(F)Oc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435389530 943376188 /nfs/dbraw/zinc/37/61/88/943376188.db2.gz LFKIIKDXMUOBEW-GOSISDBHSA-N 2 2 361.436 3.827 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423066989 943380598 /nfs/dbraw/zinc/38/05/98/943380598.db2.gz YKVVERQXFXXRRL-VGOFRKELSA-N 3 2 352.526 3.554 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423066989 943380601 /nfs/dbraw/zinc/38/06/01/943380601.db2.gz YKVVERQXFXXRRL-VGOFRKELSA-N 3 2 352.526 3.554 20 0 FHADLP C[C@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074129 943383360 /nfs/dbraw/zinc/38/33/60/943383360.db2.gz UBSAKYCOWPLXSZ-JVPBZIDWSA-N 2 2 374.326 3.858 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080887 943386838 /nfs/dbraw/zinc/38/68/38/943386838.db2.gz TWPRXOCYRGVYEF-XBYSBRQOSA-N 2 2 366.505 3.856 20 0 FHADLP Fc1cc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423088358 943389307 /nfs/dbraw/zinc/38/93/07/943389307.db2.gz RRNDJMIMPNIGKK-HNAYVOBHSA-N 2 2 366.358 3.589 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000423122936 943397751 /nfs/dbraw/zinc/39/77/51/943397751.db2.gz KHESCGUJYXNGEA-VSKRKVRLSA-N 2 2 353.510 3.811 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[NH2+]C1 ZINC000435422726 943402773 /nfs/dbraw/zinc/40/27/73/943402773.db2.gz PPCDJRXEXGLRKY-CQSZACIVSA-N 2 2 359.470 3.949 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc2cc(F)ccc2o1)C[C@@H]1CC[NH2+]C1 ZINC000435422726 943402779 /nfs/dbraw/zinc/40/27/79/943402779.db2.gz PPCDJRXEXGLRKY-CQSZACIVSA-N 2 2 359.470 3.949 20 0 FHADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435423673 943403728 /nfs/dbraw/zinc/40/37/28/943403728.db2.gz VGYMBDCVASNZTL-SFHVURJKSA-N 2 2 358.917 3.526 20 0 FHADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435423673 943403732 /nfs/dbraw/zinc/40/37/32/943403732.db2.gz VGYMBDCVASNZTL-SFHVURJKSA-N 2 2 358.917 3.526 20 0 FHADLP CSc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423146194 943407466 /nfs/dbraw/zinc/40/74/66/943407466.db2.gz OLHLCGOPZZZIBA-NDXORKPFSA-N 2 2 357.567 3.559 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc2c(c1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000435431447 943409330 /nfs/dbraw/zinc/40/93/30/943409330.db2.gz DGXPFYSQVPQBMT-NRFANRHFSA-N 2 2 364.537 3.536 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000435431447 943409336 /nfs/dbraw/zinc/40/93/36/943409336.db2.gz DGXPFYSQVPQBMT-NRFANRHFSA-N 2 2 364.537 3.536 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cc(C)sc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437759 943416093 /nfs/dbraw/zinc/41/60/93/943416093.db2.gz LIGOYYATKFWLFE-GOSISDBHSA-N 2 2 358.555 3.726 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)sc1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435437759 943416101 /nfs/dbraw/zinc/41/61/01/943416101.db2.gz LIGOYYATKFWLFE-GOSISDBHSA-N 2 2 358.555 3.726 20 0 FHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000423184713 943420410 /nfs/dbraw/zinc/42/04/10/943420410.db2.gz IOAQVEFALULKIZ-UHFFFAOYSA-N 3 2 360.590 3.830 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CC[NH2+]C1 ZINC000435447367 943423279 /nfs/dbraw/zinc/42/32/79/943423279.db2.gz GJEDTTDPAHTQPR-KRWDZBQOSA-N 2 2 371.550 3.777 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CC[NH2+]C1 ZINC000435447367 943423282 /nfs/dbraw/zinc/42/32/82/943423282.db2.gz GJEDTTDPAHTQPR-KRWDZBQOSA-N 2 2 371.550 3.777 20 0 FHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423273243 943468441 /nfs/dbraw/zinc/46/84/41/943468441.db2.gz IVOQWIUJWUNHQS-NRFANRHFSA-N 2 2 355.530 3.620 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322742 943475174 /nfs/dbraw/zinc/47/51/74/943475174.db2.gz GTAIHFQSQVJEAI-UIAACRFSSA-N 2 2 370.493 3.509 20 0 FHADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299367 943476369 /nfs/dbraw/zinc/47/63/69/943476369.db2.gz PXYJIOOWWKWZTK-RDJZCZTQSA-N 2 2 352.544 3.571 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCCc3nc(C)sc32)cc1 ZINC000423330068 943482204 /nfs/dbraw/zinc/48/22/04/943482204.db2.gz LVFVIDPURWURLL-QXAKKESOSA-N 2 2 357.523 3.573 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CCC[NH2+]1 ZINC000423417054 943511856 /nfs/dbraw/zinc/51/18/56/943511856.db2.gz GIPODJKQROCEJV-YJYMSZOUSA-N 2 2 363.502 3.677 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c2ccccc21 ZINC000423525098 943547340 /nfs/dbraw/zinc/54/73/40/943547340.db2.gz KDYCNWLMFRAFMJ-CLAROIROSA-N 2 2 364.489 3.513 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693280 943560984 /nfs/dbraw/zinc/56/09/84/943560984.db2.gz IMKKPMXUZCBLPG-FGTMMUONSA-N 2 2 363.571 3.683 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693280 943560986 /nfs/dbraw/zinc/56/09/86/943560986.db2.gz IMKKPMXUZCBLPG-FGTMMUONSA-N 2 2 363.571 3.683 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435737658 943590238 /nfs/dbraw/zinc/59/02/38/943590238.db2.gz KMEFYKVCDNSHRO-GOSISDBHSA-N 2 2 359.539 3.559 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1cc(C)ccc1C)C[C@@H]1CC[NH2+]C1 ZINC000435737658 943590245 /nfs/dbraw/zinc/59/02/45/943590245.db2.gz KMEFYKVCDNSHRO-GOSISDBHSA-N 2 2 359.539 3.559 20 0 FHADLP [NH3+][C@@H](CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1)CC1CCCCC1 ZINC000424142182 943749361 /nfs/dbraw/zinc/74/93/61/943749361.db2.gz IBSSBWGIXWZACN-IBGZPJMESA-N 2 2 354.498 3.566 20 0 FHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855144 943785041 /nfs/dbraw/zinc/78/50/41/943785041.db2.gz MJQNVBVBPUOAAM-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855144 943785043 /nfs/dbraw/zinc/78/50/43/943785043.db2.gz MJQNVBVBPUOAAM-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855144 943785050 /nfs/dbraw/zinc/78/50/50/943785050.db2.gz MJQNVBVBPUOAAM-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855144 943785055 /nfs/dbraw/zinc/78/50/55/943785055.db2.gz MJQNVBVBPUOAAM-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414779847 943815151 /nfs/dbraw/zinc/81/51/51/943815151.db2.gz KRRBESRAEJSCQJ-CYBMUJFWSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414779847 943815155 /nfs/dbraw/zinc/81/51/55/943815155.db2.gz KRRBESRAEJSCQJ-CYBMUJFWSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414779848 943815596 /nfs/dbraw/zinc/81/55/96/943815596.db2.gz KRRBESRAEJSCQJ-ZDUSSCGKSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC12CCOCC2 ZINC000414779848 943815607 /nfs/dbraw/zinc/81/56/07/943815607.db2.gz KRRBESRAEJSCQJ-ZDUSSCGKSA-N 2 2 362.823 3.546 20 0 FHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584868295 943830704 /nfs/dbraw/zinc/83/07/04/943830704.db2.gz XQUREAWNLHLIPE-PMXLPMHFSA-N 2 2 356.482 3.718 20 0 FHADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)Sc2ccc(Br)cc2)n1C ZINC000516980749 943881195 /nfs/dbraw/zinc/88/11/95/943881195.db2.gz BUEJOOPUTGHCKZ-NSHDSACASA-N 2 2 354.317 3.761 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676261 943932190 /nfs/dbraw/zinc/93/21/90/943932190.db2.gz FRUWXFQJJFDVBT-NYLDSWQDSA-N 3 2 352.526 3.539 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676261 943932194 /nfs/dbraw/zinc/93/21/94/943932194.db2.gz FRUWXFQJJFDVBT-NYLDSWQDSA-N 3 2 352.526 3.539 20 0 FHADLP Brc1cccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414910436 944005590 /nfs/dbraw/zinc/00/55/90/944005590.db2.gz VMTYHKNJJBNORT-CQSZACIVSA-N 2 2 366.328 3.804 20 0 FHADLP C[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(F)cc1 ZINC000437696975 944041354 /nfs/dbraw/zinc/04/13/54/944041354.db2.gz WICDDQRGCNTMFY-GOSISDBHSA-N 2 2 355.501 3.963 20 0 FHADLP C[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(F)cc1 ZINC000437696975 944041361 /nfs/dbraw/zinc/04/13/61/944041361.db2.gz WICDDQRGCNTMFY-GOSISDBHSA-N 2 2 355.501 3.963 20 0 FHADLP C[NH+](C)CCC[C@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000664653558 944064253 /nfs/dbraw/zinc/06/42/53/944064253.db2.gz BLTCSQNNWZASMW-INIZCTEOSA-N 2 2 367.415 3.801 20 0 FHADLP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000505150969 944094162 /nfs/dbraw/zinc/09/41/62/944094162.db2.gz NGNWSLVUHRPGRJ-IBGZPJMESA-N 2 2 374.573 3.828 20 0 FHADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515710731 944135511 /nfs/dbraw/zinc/13/55/11/944135511.db2.gz ZFOABIIXDADLFY-NQIIRXRSSA-N 2 2 361.493 3.649 20 0 FHADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515710731 944135527 /nfs/dbraw/zinc/13/55/27/944135527.db2.gz ZFOABIIXDADLFY-NQIIRXRSSA-N 2 2 361.493 3.649 20 0 FHADLP c1ccc([C@H]2CC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000436273555 944171150 /nfs/dbraw/zinc/17/11/50/944171150.db2.gz VVVOECDYZIPWNG-XZOQPEGZSA-N 2 2 350.506 3.945 20 0 FHADLP CSc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312972 944191826 /nfs/dbraw/zinc/19/18/26/944191826.db2.gz KYPKJOJPKBIYHC-UTKZUKDTSA-N 2 2 355.551 3.846 20 0 FHADLP CSc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312972 944191831 /nfs/dbraw/zinc/19/18/31/944191831.db2.gz KYPKJOJPKBIYHC-UTKZUKDTSA-N 2 2 355.551 3.846 20 0 FHADLP c1c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)noc1-c1ccccc1 ZINC000517356226 944239188 /nfs/dbraw/zinc/23/91/88/944239188.db2.gz MSCZRFLBKPYEHV-DENIHFKCSA-N 2 2 361.445 3.687 20 0 FHADLP FC(F)(F)[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000438074978 944316882 /nfs/dbraw/zinc/31/68/82/944316882.db2.gz QYVJCONHOQPGOI-ROUUACIJSA-N 2 2 369.475 3.909 20 0 FHADLP CCOc1ccc(C[C@@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000651489714 944358173 /nfs/dbraw/zinc/35/81/73/944358173.db2.gz GJGBXARMGSPUFE-GOSISDBHSA-N 2 2 353.510 3.918 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000436494855 944362431 /nfs/dbraw/zinc/36/24/31/944362431.db2.gz OJEHXBGTXAICEU-KRWDZBQOSA-N 2 2 352.482 3.745 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000436494855 944362436 /nfs/dbraw/zinc/36/24/36/944362436.db2.gz OJEHXBGTXAICEU-KRWDZBQOSA-N 2 2 352.482 3.745 20 0 FHADLP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000425950494 944364356 /nfs/dbraw/zinc/36/43/56/944364356.db2.gz AEUJZYXJYPKPNC-KRWDZBQOSA-N 2 2 351.425 3.667 20 0 FHADLP Fc1ccc(CC2([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CCOCC2)cc1 ZINC000550190904 944372145 /nfs/dbraw/zinc/37/21/45/944372145.db2.gz SSHSCGPFNITYMS-UHFFFAOYSA-N 2 2 365.452 3.893 20 0 FHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000364344724 944407218 /nfs/dbraw/zinc/40/72/18/944407218.db2.gz ARPRQUHZLXTIKJ-IBGZPJMESA-N 2 2 374.573 3.928 20 0 FHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000364344724 944407227 /nfs/dbraw/zinc/40/72/27/944407227.db2.gz ARPRQUHZLXTIKJ-IBGZPJMESA-N 2 2 374.573 3.928 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000426299914 944410125 /nfs/dbraw/zinc/41/01/25/944410125.db2.gz ZUEVWPKMPZLVDU-HSALFYBXSA-N 2 2 353.510 3.936 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000426299914 944410132 /nfs/dbraw/zinc/41/01/32/944410132.db2.gz ZUEVWPKMPZLVDU-HSALFYBXSA-N 2 2 353.510 3.936 20 0 FHADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCn1cc[nH+]c1 ZINC000518508190 944452414 /nfs/dbraw/zinc/45/24/14/944452414.db2.gz ZYUVBYVYQZINOZ-INIZCTEOSA-N 2 2 359.271 3.794 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846443 944538226 /nfs/dbraw/zinc/53/82/26/944538226.db2.gz XTURJMFPFXIEMW-JXFKEZNVSA-N 2 2 368.924 3.956 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846443 944538230 /nfs/dbraw/zinc/53/82/30/944538230.db2.gz XTURJMFPFXIEMW-JXFKEZNVSA-N 2 2 368.924 3.956 20 0 FHADLP C[C@@H](CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)n1cc[nH+]c1 ZINC000617867251 944580622 /nfs/dbraw/zinc/58/06/22/944580622.db2.gz MNPZTMAEQIILRC-ZDUSSCGKSA-N 2 2 369.494 3.677 20 0 FHADLP C[C@@H](CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)n1cc[nH+]c1 ZINC000617867251 944580628 /nfs/dbraw/zinc/58/06/28/944580628.db2.gz MNPZTMAEQIILRC-ZDUSSCGKSA-N 2 2 369.494 3.677 20 0 FHADLP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278835935 944602579 /nfs/dbraw/zinc/60/25/79/944602579.db2.gz IVBCACBLVNYCAZ-UHFFFAOYSA-N 2 2 366.509 3.654 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)ccc3c2)cc1 ZINC000414892121 944688393 /nfs/dbraw/zinc/68/83/93/944688393.db2.gz WKGSRCLYRGPIPH-GGAORHGYSA-N 2 2 361.489 3.787 20 0 FHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390702513 944736808 /nfs/dbraw/zinc/73/68/08/944736808.db2.gz UHFYSEDRQIBBDH-DHIUTWEWSA-N 2 2 352.522 3.888 20 0 FHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390702513 944736813 /nfs/dbraw/zinc/73/68/13/944736813.db2.gz UHFYSEDRQIBBDH-DHIUTWEWSA-N 2 2 352.522 3.888 20 0 FHADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390704579 944752223 /nfs/dbraw/zinc/75/22/23/944752223.db2.gz URZWCKKEFPYLNJ-GCJKJVERSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390704579 944752230 /nfs/dbraw/zinc/75/22/30/944752230.db2.gz URZWCKKEFPYLNJ-GCJKJVERSA-N 2 2 354.469 3.694 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1OCc1cccnc1 ZINC000414934717 944752255 /nfs/dbraw/zinc/75/22/55/944752255.db2.gz VJSCBBSSSNTBEO-OAQYLSRUSA-N 2 2 369.509 3.537 20 0 FHADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC000518790970 944773682 /nfs/dbraw/zinc/77/36/82/944773682.db2.gz SJPXKQUDTLRFSY-HNNXBMFYSA-N 2 2 358.448 3.677 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(C)c1OC ZINC000517910424 944811791 /nfs/dbraw/zinc/81/17/91/944811791.db2.gz FUUGMSYRHZEGED-QGZVFWFLSA-N 2 2 369.509 3.722 20 0 FHADLP Cc1cnn(C)c1C[NH2+]CCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000394890686 945566565 /nfs/dbraw/zinc/56/65/65/945566565.db2.gz VQFGQJRJOFMKOE-UHFFFAOYSA-N 2 2 362.521 3.911 20 0 FHADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000519689596 945662459 /nfs/dbraw/zinc/66/24/59/945662459.db2.gz MOHBQNZDKMHFAK-NWZZKEMCSA-N 2 2 351.494 3.976 20 0 FHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C2 ZINC000443983149 945679952 /nfs/dbraw/zinc/67/99/52/945679952.db2.gz RAUWXQJQGZAPBG-JTQLQIEISA-N 2 2 358.433 3.761 20 0 FHADLP O=C(NCCC[C@H]1CCC[NH2+]1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415591312 945755689 /nfs/dbraw/zinc/75/56/89/945755689.db2.gz CHTBIDZOEMXWBK-QGZVFWFLSA-N 2 2 367.497 3.540 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065968 945796241 /nfs/dbraw/zinc/79/62/41/945796241.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065968 945796244 /nfs/dbraw/zinc/79/62/44/945796244.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065968 945796248 /nfs/dbraw/zinc/79/62/48/945796248.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065968 945796251 /nfs/dbraw/zinc/79/62/51/945796251.db2.gz ZJERXXVHNZHNHH-KLACQSGDSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651734028 945802531 /nfs/dbraw/zinc/80/25/31/945802531.db2.gz ZMWJNBMFKNJPNG-JJEOQYAHSA-N 2 2 365.521 3.777 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1F ZINC000651741690 945817826 /nfs/dbraw/zinc/81/78/26/945817826.db2.gz SMIKPUUPMALDAN-HNNXBMFYSA-N 2 2 373.472 3.553 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@@H+]1C1CC1 ZINC000544374991 945884376 /nfs/dbraw/zinc/88/43/76/945884376.db2.gz JJUICLINKMKVTF-IUODEOHRSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@H+]1C1CC1 ZINC000544374991 945884385 /nfs/dbraw/zinc/88/43/85/945884385.db2.gz JJUICLINKMKVTF-IUODEOHRSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@@H+]1C1CC1 ZINC000544374990 945884797 /nfs/dbraw/zinc/88/47/97/945884797.db2.gz JJUICLINKMKVTF-DOMZBBRYSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@H+]1C1CC1 ZINC000544374990 945884803 /nfs/dbraw/zinc/88/48/03/945884803.db2.gz JJUICLINKMKVTF-DOMZBBRYSA-N 2 2 362.315 3.688 20 0 FHADLP Nc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]c2ccccc12 ZINC000301883979 946019255 /nfs/dbraw/zinc/01/92/55/946019255.db2.gz NSFACWSKLHRBBS-AWEZNQCLSA-N 2 2 353.495 3.598 20 0 FHADLP Nc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]c2ccccc12 ZINC000301883979 946019266 /nfs/dbraw/zinc/01/92/66/946019266.db2.gz NSFACWSKLHRBBS-AWEZNQCLSA-N 2 2 353.495 3.598 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209160 946070516 /nfs/dbraw/zinc/07/05/16/946070516.db2.gz BOMNZGXHNKQSNG-UNMCSNQZSA-N 2 2 371.569 3.620 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209160 946070524 /nfs/dbraw/zinc/07/05/24/946070524.db2.gz BOMNZGXHNKQSNG-UNMCSNQZSA-N 2 2 371.569 3.620 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533420 946239564 /nfs/dbraw/zinc/23/95/64/946239564.db2.gz BCXCCMQFNMQTCV-AWEZNQCLSA-N 2 2 353.392 3.618 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1nccc(C(F)(F)F)n1 ZINC000661533420 946239572 /nfs/dbraw/zinc/23/95/72/946239572.db2.gz BCXCCMQFNMQTCV-AWEZNQCLSA-N 2 2 353.392 3.618 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])on1 ZINC000520217550 946283187 /nfs/dbraw/zinc/28/31/87/946283187.db2.gz XUPGOENMTOSXFF-QZTJIDSGSA-N 2 2 351.450 3.863 20 0 FHADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302722998 946296502 /nfs/dbraw/zinc/29/65/02/946296502.db2.gz ILWHYMDPXAATDR-BBRMVZONSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302722998 946296511 /nfs/dbraw/zinc/29/65/11/946296511.db2.gz ILWHYMDPXAATDR-BBRMVZONSA-N 2 2 360.299 3.918 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 ZINC000441377210 946531128 /nfs/dbraw/zinc/53/11/28/946531128.db2.gz AHTSMYOVWLCRNQ-FPOVZHCZSA-N 2 2 370.541 3.865 20 0 FHADLP Brc1cccc(-c2c[nH]c(C[NH2+]CCCCn3cc[nH+]c3)n2)c1 ZINC000520388475 946531848 /nfs/dbraw/zinc/53/18/48/946531848.db2.gz WVRDHOXZKOYOJQ-UHFFFAOYSA-N 2 2 374.286 3.606 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561370 946662139 /nfs/dbraw/zinc/66/21/39/946662139.db2.gz YFBQAYNGVXRIDZ-JNVBVNAASA-N 3 2 367.581 3.894 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561370 946662132 /nfs/dbraw/zinc/66/21/32/946662132.db2.gz YFBQAYNGVXRIDZ-JNVBVNAASA-N 3 2 367.581 3.894 20 0 FHADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000475269007 946801537 /nfs/dbraw/zinc/80/15/37/946801537.db2.gz LYBQJNBZDAWZSG-QGZVFWFLSA-N 2 2 367.518 3.917 20 0 FHADLP COc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2c1 ZINC000475269007 946801555 /nfs/dbraw/zinc/80/15/55/946801555.db2.gz LYBQJNBZDAWZSG-QGZVFWFLSA-N 2 2 367.518 3.917 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243468 946882049 /nfs/dbraw/zinc/88/20/49/946882049.db2.gz YGPZAQWZLMDIQT-LBPRGKRZSA-N 2 2 367.280 3.854 20 0 FHADLP Fc1cccc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc2)c1 ZINC000655723604 946912570 /nfs/dbraw/zinc/91/25/70/946912570.db2.gz QPRDBJPEFYPOQM-YADHBBJMSA-N 2 2 354.469 3.758 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000123863586 946915597 /nfs/dbraw/zinc/91/55/97/946915597.db2.gz ZEXMEADULZTULM-FQEVSTJZSA-N 2 2 369.534 3.525 20 0 FHADLP C[C@H]1C[NH+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000301085079 947169568 /nfs/dbraw/zinc/16/95/68/947169568.db2.gz LKDSSLHOAHQSEV-HOTGVXAUSA-N 2 2 350.466 3.784 20 0 FHADLP CC(C)(CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCOCC1 ZINC000301145190 947202216 /nfs/dbraw/zinc/20/22/16/947202216.db2.gz AJGZTCMWGROEFJ-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301381211 947318099 /nfs/dbraw/zinc/31/80/99/947318099.db2.gz YSVINQYJOXMITP-KRWDZBQOSA-N 2 2 367.493 3.703 20 0 FHADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1cccc(Cl)c1Cl ZINC000662290160 947711181 /nfs/dbraw/zinc/71/11/81/947711181.db2.gz LZHQBSXSWLQIIE-AWEZNQCLSA-N 2 2 370.324 3.644 20 0 FHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319521 947749300 /nfs/dbraw/zinc/74/93/00/947749300.db2.gz JNILZGDQEJVKLT-QZTJIDSGSA-N 2 2 369.347 3.943 20 0 FHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319521 947749305 /nfs/dbraw/zinc/74/93/05/947749305.db2.gz JNILZGDQEJVKLT-QZTJIDSGSA-N 2 2 369.347 3.943 20 0 FHADLP Brc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCS2 ZINC000663436776 948014324 /nfs/dbraw/zinc/01/43/24/948014324.db2.gz IUMWMIVDYZWOBJ-CQSZACIVSA-N 2 2 352.301 3.862 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001167821040 948073410 /nfs/dbraw/zinc/07/34/10/948073410.db2.gz ACHQNDHMXYRRCE-MSOLQXFVSA-N 2 2 362.562 3.697 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001167821040 948073421 /nfs/dbraw/zinc/07/34/21/948073421.db2.gz ACHQNDHMXYRRCE-MSOLQXFVSA-N 2 2 362.562 3.697 20 0 FHADLP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2c(c1)COCO2 ZINC000278924041 948130241 /nfs/dbraw/zinc/13/02/41/948130241.db2.gz RWHSYOIHCMIEJY-UHFFFAOYSA-N 2 2 371.456 3.605 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000432347157 948188724 /nfs/dbraw/zinc/18/87/24/948188724.db2.gz OINZONXVJCJPEV-MRXNPFEDSA-N 2 2 360.473 3.985 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC000432347157 948188728 /nfs/dbraw/zinc/18/87/28/948188728.db2.gz OINZONXVJCJPEV-MRXNPFEDSA-N 2 2 360.473 3.985 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000512017337 948199627 /nfs/dbraw/zinc/19/96/27/948199627.db2.gz VGGNLAJIIRMZRJ-YWZLYKJASA-N 2 2 360.523 3.938 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OCc2ccccc2)CCCO1 ZINC000432354338 948201575 /nfs/dbraw/zinc/20/15/75/948201575.db2.gz WBTJMEOJXNYYQK-FQEVSTJZSA-N 2 2 368.521 3.856 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OCc2ccccc2)CCCO1 ZINC000432354338 948201584 /nfs/dbraw/zinc/20/15/84/948201584.db2.gz WBTJMEOJXNYYQK-FQEVSTJZSA-N 2 2 368.521 3.856 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000432359134 948210027 /nfs/dbraw/zinc/21/00/27/948210027.db2.gz RSTRGEUEXNOOGI-ZDUSSCGKSA-N 2 2 364.839 3.949 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000432359134 948210035 /nfs/dbraw/zinc/21/00/35/948210035.db2.gz RSTRGEUEXNOOGI-ZDUSSCGKSA-N 2 2 364.839 3.949 20 0 FHADLP CC(C)[C@@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000520541288 948249392 /nfs/dbraw/zinc/24/93/92/948249392.db2.gz BOKNNLVBIJNNDJ-RXVVDRJESA-N 2 2 373.541 3.529 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1F ZINC000432418536 948367995 /nfs/dbraw/zinc/36/79/95/948367995.db2.gz SMQCBMPZIRZQLL-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1F ZINC000432418536 948368003 /nfs/dbraw/zinc/36/80/03/948368003.db2.gz SMQCBMPZIRZQLL-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432418862 948374152 /nfs/dbraw/zinc/37/41/52/948374152.db2.gz WPANMXWHORNAMM-HUUCEWRRSA-N 2 2 370.921 3.509 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432418862 948374157 /nfs/dbraw/zinc/37/41/57/948374157.db2.gz WPANMXWHORNAMM-HUUCEWRRSA-N 2 2 370.921 3.509 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432421119 948381953 /nfs/dbraw/zinc/38/19/53/948381953.db2.gz NUSRCKUKTPWPNJ-HUUCEWRRSA-N 2 2 353.576 3.901 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432421119 948381961 /nfs/dbraw/zinc/38/19/61/948381961.db2.gz NUSRCKUKTPWPNJ-HUUCEWRRSA-N 2 2 353.576 3.901 20 0 FHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000512089411 948394053 /nfs/dbraw/zinc/39/40/53/948394053.db2.gz RWAOUNCLHQIBDA-LBPRGKRZSA-N 2 2 373.444 3.997 20 0 FHADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C2CCCCCCC2)CC1 ZINC000826513652 948438635 /nfs/dbraw/zinc/43/86/35/948438635.db2.gz RMKKDWZQUMRINO-UHFFFAOYSA-N 2 2 368.529 3.534 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142742 948540296 /nfs/dbraw/zinc/54/02/96/948540296.db2.gz BCOCCMABDBMWKT-GFCCVEGCSA-N 2 2 361.349 3.580 20 0 FHADLP Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000097219786 948652843 /nfs/dbraw/zinc/65/28/43/948652843.db2.gz WLFZWJKQNNYVTP-IRXDYDNUSA-N 2 2 367.493 3.868 20 0 FHADLP [NH3+][C@H](CCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCCC1 ZINC000579587276 948678729 /nfs/dbraw/zinc/67/87/29/948678729.db2.gz ALQYRRUOMJCPCP-HXUWFJFHSA-N 2 2 373.541 3.535 20 0 FHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000507807999 948726326 /nfs/dbraw/zinc/72/63/26/948726326.db2.gz AHZKTXZPONPUTL-FQEVSTJZSA-N 2 2 358.432 3.574 20 0 FHADLP C[NH+]1CCN(c2ccc(NCc3csc(C(F)(F)F)c3)[nH+]c2)CC1 ZINC000623368916 521968185 /nfs/dbraw/zinc/96/81/85/521968185.db2.gz DYCPGHIKDKNDKV-UHFFFAOYSA-N 2 2 356.417 3.526 20 0 FHADLP Cc1ccc2c(C)cc(NC[C@H]3C[N@H+](Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705858 522871964 /nfs/dbraw/zinc/87/19/64/522871964.db2.gz IHUJQKSZTQMIAM-IBGZPJMESA-N 2 2 362.477 3.560 20 0 FHADLP Cc1ccc2c(C)cc(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705858 522871971 /nfs/dbraw/zinc/87/19/71/522871971.db2.gz IHUJQKSZTQMIAM-IBGZPJMESA-N 2 2 362.477 3.560 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000275534310 527512683 /nfs/dbraw/zinc/51/26/83/527512683.db2.gz MEKCHBYUOLNEKY-KBXCAEBGSA-N 2 2 356.857 3.632 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000601934181 567879978 /nfs/dbraw/zinc/87/99/78/567879978.db2.gz OFWLWVMVDDVECE-HZPDHXFCSA-N 2 2 371.481 3.544 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000601934181 567879980 /nfs/dbraw/zinc/87/99/80/567879980.db2.gz OFWLWVMVDDVECE-HZPDHXFCSA-N 2 2 371.481 3.544 20 0 FHADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186572770 567951408 /nfs/dbraw/zinc/95/14/08/567951408.db2.gz KIUOPMIRXAPLLR-LJQANCHMSA-N 2 2 371.491 3.759 20 0 FHADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186572770 567951410 /nfs/dbraw/zinc/95/14/10/567951410.db2.gz KIUOPMIRXAPLLR-LJQANCHMSA-N 2 2 371.491 3.759 20 0 FHADLP CCC[C@](C)(O)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000602278071 567962629 /nfs/dbraw/zinc/96/26/29/567962629.db2.gz GDMXCUVLABPFMH-QFIPXVFZSA-N 2 2 367.493 3.862 20 0 FHADLP c1sc(-c2ccccc2)nc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517350 568111880 /nfs/dbraw/zinc/11/18/80/568111880.db2.gz QUECRORXFZFUBY-IBGZPJMESA-N 2 2 357.523 3.543 20 0 FHADLP C[C@H](C[NH2+][C@@H](C)c1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000187033328 568224045 /nfs/dbraw/zinc/22/40/45/568224045.db2.gz NTQOCWRWCBRQRE-OLZOCXBDSA-N 2 2 358.299 3.756 20 0 FHADLP CCC[N@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CC[NH2+]CC1 ZINC000563131857 568265026 /nfs/dbraw/zinc/26/50/26/568265026.db2.gz KLYMDQLPTMIXKG-UHFFFAOYSA-N 2 2 368.312 3.538 20 0 FHADLP CCC[N@@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CC[NH2+]CC1 ZINC000563131857 568265027 /nfs/dbraw/zinc/26/50/27/568265027.db2.gz KLYMDQLPTMIXKG-UHFFFAOYSA-N 2 2 368.312 3.538 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC000604414715 568279597 /nfs/dbraw/zinc/27/95/97/568279597.db2.gz OUGLHLRXELGKHM-HZPDHXFCSA-N 2 2 360.473 3.983 20 0 FHADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251811 568351875 /nfs/dbraw/zinc/35/18/75/568351875.db2.gz BOZILJBSYQSGPV-MAUKXSAKSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251811 568351876 /nfs/dbraw/zinc/35/18/76/568351876.db2.gz BOZILJBSYQSGPV-MAUKXSAKSA-N 2 2 356.432 3.682 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1csc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000275791411 570725615 /nfs/dbraw/zinc/72/56/15/570725615.db2.gz UHOWXRYVFUPVME-LJQANCHMSA-N 2 2 366.534 3.779 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1csc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000275791411 570725619 /nfs/dbraw/zinc/72/56/19/570725619.db2.gz UHOWXRYVFUPVME-LJQANCHMSA-N 2 2 366.534 3.779 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813836 720119279 /nfs/dbraw/zinc/11/92/79/720119279.db2.gz RCPURLOYHPSJHZ-CVDCTZTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813836 720119284 /nfs/dbraw/zinc/11/92/84/720119284.db2.gz RCPURLOYHPSJHZ-CVDCTZTESA-N 2 2 365.521 3.728 20 0 FHADLP Cc1cc2ccccc2c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)[nH+]1 ZINC001164787187 721418393 /nfs/dbraw/zinc/41/83/93/721418393.db2.gz POQINJGVAJPNTN-CALCHBBNSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1cc2ccccc2c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)[nH+]1 ZINC001164787187 721418394 /nfs/dbraw/zinc/41/83/94/721418394.db2.gz POQINJGVAJPNTN-CALCHBBNSA-N 2 2 350.491 3.568 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022605 721811215 /nfs/dbraw/zinc/81/12/15/721811215.db2.gz GAAZWJZAGBNLAH-YSIASYRMSA-N 2 2 366.509 3.531 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022605 721811218 /nfs/dbraw/zinc/81/12/18/721811218.db2.gz GAAZWJZAGBNLAH-YSIASYRMSA-N 2 2 366.509 3.531 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165022187 721827475 /nfs/dbraw/zinc/82/74/75/721827475.db2.gz GPNHGGHPXNFTAB-CEWLAPEOSA-N 2 2 365.525 3.534 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165022187 721827478 /nfs/dbraw/zinc/82/74/78/721827478.db2.gz GPNHGGHPXNFTAB-CEWLAPEOSA-N 2 2 365.525 3.534 20 0 FHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)c(C)c[nH+]2)CC1 ZINC001165022584 721844172 /nfs/dbraw/zinc/84/41/72/721844172.db2.gz PQGBTCBMSNPGIJ-UHFFFAOYSA-N 2 2 369.509 3.816 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000431519683 936390817 /nfs/dbraw/zinc/39/08/17/936390817.db2.gz OMPPDFHDQZDCKV-NVXWUHKLSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000431519683 936390824 /nfs/dbraw/zinc/39/08/24/936390824.db2.gz OMPPDFHDQZDCKV-NVXWUHKLSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)n2)C1 ZINC000431519683 936390828 /nfs/dbraw/zinc/39/08/28/936390828.db2.gz OMPPDFHDQZDCKV-NVXWUHKLSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@H+]3C)n2)C1 ZINC000431519683 936390833 /nfs/dbraw/zinc/39/08/33/936390833.db2.gz OMPPDFHDQZDCKV-NVXWUHKLSA-N 2 2 364.559 3.578 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1F ZINC000180177689 929399890 /nfs/dbraw/zinc/39/98/90/929399890.db2.gz OFEXLNXDWCZOQJ-JOCHJYFZSA-N 2 2 355.501 3.814 20 0 FHADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225189 929424388 /nfs/dbraw/zinc/42/43/88/929424388.db2.gz OTMFFBIPLRFGFV-CQSZACIVSA-N 2 2 362.315 3.771 20 0 FHADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225189 929424391 /nfs/dbraw/zinc/42/43/91/929424391.db2.gz OTMFFBIPLRFGFV-CQSZACIVSA-N 2 2 362.315 3.771 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225189 929424398 /nfs/dbraw/zinc/42/43/98/929424398.db2.gz OTMFFBIPLRFGFV-CQSZACIVSA-N 2 2 362.315 3.771 20 0 FHADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225189 929424401 /nfs/dbraw/zinc/42/44/01/929424401.db2.gz OTMFFBIPLRFGFV-CQSZACIVSA-N 2 2 362.315 3.771 20 0 FHADLP Cn1cc([C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c2cccc(F)c2)cn1 ZINC000180548546 929552428 /nfs/dbraw/zinc/55/24/28/929552428.db2.gz CJQAFTGVZRTEPC-NRFANRHFSA-N 2 2 370.447 3.639 20 0 FHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751875 937353484 /nfs/dbraw/zinc/35/34/84/937353484.db2.gz UXSYGJGNQYOTEC-JOCHJYFZSA-N 2 2 366.505 3.705 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000583336627 937356472 /nfs/dbraw/zinc/35/64/72/937356472.db2.gz VUSULDLUNKHBSL-RTBURBONSA-N 2 2 370.493 3.638 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000583336627 937356475 /nfs/dbraw/zinc/35/64/75/937356475.db2.gz VUSULDLUNKHBSL-RTBURBONSA-N 2 2 370.493 3.638 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1)CC(C)C ZINC000580134548 930293132 /nfs/dbraw/zinc/29/31/32/930293132.db2.gz HSAPRUNNNDCCFH-UHFFFAOYSA-N 2 2 371.529 3.946 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1)CC(C)C ZINC000580134548 930293139 /nfs/dbraw/zinc/29/31/39/930293139.db2.gz HSAPRUNNNDCCFH-UHFFFAOYSA-N 2 2 371.529 3.946 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129523912 930328880 /nfs/dbraw/zinc/32/88/80/930328880.db2.gz RLHGZBBNKVXXLZ-XYJFISCASA-N 2 2 351.454 3.886 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)o2)cc1 ZINC000129523912 930328887 /nfs/dbraw/zinc/32/88/87/930328887.db2.gz RLHGZBBNKVXXLZ-XYJFISCASA-N 2 2 351.454 3.886 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCn2cc[nH+]c2)CCC3)cc1 ZINC000155704278 930557398 /nfs/dbraw/zinc/55/73/98/930557398.db2.gz OABHOUGMBJTNHX-MRXNPFEDSA-N 2 2 354.479 3.682 20 0 FHADLP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001167392541 930625775 /nfs/dbraw/zinc/62/57/75/930625775.db2.gz GBHRGKHLHLWHBH-VNTMZGSJSA-N 2 2 372.557 3.774 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000684113371 931356528 /nfs/dbraw/zinc/35/65/28/931356528.db2.gz CCJNMNWCHSNZNI-UFYCRDLUSA-N 2 2 363.509 3.753 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3C[NH+](C)C)n2)C1 ZINC000581226566 931701204 /nfs/dbraw/zinc/70/12/04/931701204.db2.gz JNWTZBLDNDASFJ-HNNXBMFYSA-N 2 2 372.538 3.689 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3C[NH+](C)C)n2)C1 ZINC000581226566 931701208 /nfs/dbraw/zinc/70/12/08/931701208.db2.gz JNWTZBLDNDASFJ-HNNXBMFYSA-N 2 2 372.538 3.689 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562371 931862548 /nfs/dbraw/zinc/86/25/48/931862548.db2.gz DJQDRICYEKNIKU-RDJZCZTQSA-N 2 2 359.901 3.873 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562371 931862574 /nfs/dbraw/zinc/86/25/74/931862574.db2.gz DJQDRICYEKNIKU-RDJZCZTQSA-N 2 2 359.901 3.873 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000124067587 932130833 /nfs/dbraw/zinc/13/08/33/932130833.db2.gz PBTOUVXQFSFUPY-RXVVDRJESA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000124067587 932130834 /nfs/dbraw/zinc/13/08/34/932130834.db2.gz PBTOUVXQFSFUPY-RXVVDRJESA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067587 932130837 /nfs/dbraw/zinc/13/08/37/932130837.db2.gz PBTOUVXQFSFUPY-RXVVDRJESA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067587 932130840 /nfs/dbraw/zinc/13/08/40/932130840.db2.gz PBTOUVXQFSFUPY-RXVVDRJESA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCc1c[nH+]cn1C)OCCO3 ZINC000581575050 932261938 /nfs/dbraw/zinc/26/19/38/932261938.db2.gz ZGFHHUOYJLQTRO-INIZCTEOSA-N 2 2 367.493 3.622 20 0 FHADLP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCc1c[nH+]cn1C)OCCO3 ZINC000581575050 932261943 /nfs/dbraw/zinc/26/19/43/932261943.db2.gz ZGFHHUOYJLQTRO-INIZCTEOSA-N 2 2 367.493 3.622 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CCCCOc2ccccc2)cc1F ZINC000656790116 932428502 /nfs/dbraw/zinc/42/85/02/932428502.db2.gz LAYGGXOZHDKCSG-FPOVZHCZSA-N 2 2 372.484 3.729 20 0 FHADLP Clc1ccccc1Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000684425425 932687341 /nfs/dbraw/zinc/68/73/41/932687341.db2.gz OKUBJLLXQXJBBL-UHFFFAOYSA-N 2 2 358.917 3.691 20 0 FHADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156447321 932962431 /nfs/dbraw/zinc/96/24/31/932962431.db2.gz CBZWTIRRDJZIHB-BBRMVZONSA-N 2 2 357.845 3.670 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Cl)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156447321 932962435 /nfs/dbraw/zinc/96/24/35/932962435.db2.gz CBZWTIRRDJZIHB-BBRMVZONSA-N 2 2 357.845 3.670 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336194 933011666 /nfs/dbraw/zinc/01/16/66/933011666.db2.gz ABUYYTJBHFMPRO-MSOLQXFVSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336194 933011669 /nfs/dbraw/zinc/01/16/69/933011669.db2.gz ABUYYTJBHFMPRO-MSOLQXFVSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000510539255 933200854 /nfs/dbraw/zinc/20/08/54/933200854.db2.gz MLUDXDQOUHMIKP-UWJYYQICSA-N 2 2 362.477 3.602 20 0 FHADLP COC1CC[NH+](C2(C[NH2+]CCSCc3ccccc3)CCCC2)CC1 ZINC000430767218 933219766 /nfs/dbraw/zinc/21/97/66/933219766.db2.gz XGWHRQJPMVVHIG-UHFFFAOYSA-N 2 2 362.583 3.933 20 0 FHADLP COc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000510592891 933247180 /nfs/dbraw/zinc/24/71/80/933247180.db2.gz RWAQCBDLHSRAPI-GOSISDBHSA-N 2 2 367.493 3.680 20 0 FHADLP COc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000510592891 933247186 /nfs/dbraw/zinc/24/71/86/933247186.db2.gz RWAQCBDLHSRAPI-GOSISDBHSA-N 2 2 367.493 3.680 20 0 FHADLP C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342784 /nfs/dbraw/zinc/34/27/84/933342784.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@]2(CCO1)C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342796 /nfs/dbraw/zinc/34/27/96/933342796.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@]2(CCO1)C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342808 /nfs/dbraw/zinc/34/28/08/933342808.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[C@]2(CCO1)C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000430869094 933342818 /nfs/dbraw/zinc/34/28/18/933342818.db2.gz WYPYVIHTQYDEDE-ZRCGQRJVSA-N 2 2 374.569 3.803 20 0 FHADLP O[C@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000548423617 933609293 /nfs/dbraw/zinc/60/92/93/933609293.db2.gz OOMVEYCECMOIAW-JOCHJYFZSA-N 2 2 361.489 3.715 20 0 FHADLP CCC[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000431063606 933756081 /nfs/dbraw/zinc/75/60/81/933756081.db2.gz AHAYBPFBPKGNRU-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000431063606 933756089 /nfs/dbraw/zinc/75/60/89/933756089.db2.gz AHAYBPFBPKGNRU-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP CCC[N@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431093392 933823783 /nfs/dbraw/zinc/82/37/83/933823783.db2.gz KEHUDEMAQQIZHF-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000431093392 933823791 /nfs/dbraw/zinc/82/37/91/933823791.db2.gz KEHUDEMAQQIZHF-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP COC(C)(C)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510872011 933917475 /nfs/dbraw/zinc/91/74/75/933917475.db2.gz JZAPSWLNYGWFGW-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP COC(C)(C)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510872011 933917479 /nfs/dbraw/zinc/91/74/79/933917479.db2.gz JZAPSWLNYGWFGW-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431162441 933975472 /nfs/dbraw/zinc/97/54/72/933975472.db2.gz SJSFAKJKETVADC-HNNXBMFYSA-N 2 2 352.356 3.633 20 0 FHADLP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431162441 933975481 /nfs/dbraw/zinc/97/54/81/933975481.db2.gz SJSFAKJKETVADC-HNNXBMFYSA-N 2 2 352.356 3.633 20 0 FHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000092560966 934092899 /nfs/dbraw/zinc/09/28/99/934092899.db2.gz SSQPEWFVDZZUKT-UHFFFAOYSA-N 2 2 369.509 3.922 20 0 FHADLP COc1cc2c(NCCc3cn4cccc(C)c4[nH+]3)cc[nH+]c2cc1F ZINC000684575879 934124420 /nfs/dbraw/zinc/12/44/20/934124420.db2.gz YDQNMNXGJNTHNV-UHFFFAOYSA-N 2 2 350.397 3.993 20 0 FHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753078 934170853 /nfs/dbraw/zinc/17/08/53/934170853.db2.gz LHJFXQYTKLGVIU-MRXNPFEDSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753078 934170864 /nfs/dbraw/zinc/17/08/64/934170864.db2.gz LHJFXQYTKLGVIU-MRXNPFEDSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753078 934170866 /nfs/dbraw/zinc/17/08/66/934170866.db2.gz LHJFXQYTKLGVIU-MRXNPFEDSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753078 934170867 /nfs/dbraw/zinc/17/08/67/934170867.db2.gz LHJFXQYTKLGVIU-MRXNPFEDSA-N 2 2 356.457 3.850 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000510932525 934188132 /nfs/dbraw/zinc/18/81/32/934188132.db2.gz MHBYMOUEXZJASN-FDTGPBLFSA-N 2 2 350.506 3.669 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000510932525 934188133 /nfs/dbraw/zinc/18/81/33/934188133.db2.gz MHBYMOUEXZJASN-FDTGPBLFSA-N 2 2 350.506 3.669 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1Br ZINC000150948843 934741741 /nfs/dbraw/zinc/74/17/41/934741741.db2.gz VXXQMQLMHPCJNG-GXTWGEPZSA-N 2 2 364.287 3.628 20 0 FHADLP CCSc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000472058054 934909865 /nfs/dbraw/zinc/90/98/65/934909865.db2.gz CYHJUHZDMCURBP-UNMCSNQZSA-N 2 2 370.562 3.771 20 0 FHADLP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000472058054 934909870 /nfs/dbraw/zinc/90/98/70/934909870.db2.gz CYHJUHZDMCURBP-UNMCSNQZSA-N 2 2 370.562 3.771 20 0 FHADLP O=C(c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1)N1CCCCC1 ZINC000157153491 935025857 /nfs/dbraw/zinc/02/58/57/935025857.db2.gz BSQSFWMXHBBOQR-QFIPXVFZSA-N 2 2 369.553 3.763 20 0 FHADLP O=C(c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1)N1CCCCC1 ZINC000157153491 935025863 /nfs/dbraw/zinc/02/58/63/935025863.db2.gz BSQSFWMXHBBOQR-QFIPXVFZSA-N 2 2 369.553 3.763 20 0 FHADLP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548622699 935043896 /nfs/dbraw/zinc/04/38/96/935043896.db2.gz DMISEVWONNKEMH-SFHVURJKSA-N 2 2 368.868 3.615 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657311820 935112447 /nfs/dbraw/zinc/11/24/47/935112447.db2.gz WCKCJNNEATWSRZ-KRWDZBQOSA-N 2 2 353.514 3.525 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657311820 935112450 /nfs/dbraw/zinc/11/24/50/935112450.db2.gz WCKCJNNEATWSRZ-KRWDZBQOSA-N 2 2 353.514 3.525 20 0 FHADLP CCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000657315170 935139338 /nfs/dbraw/zinc/13/93/38/935139338.db2.gz NGNXEVDIBSFNKX-UHFFFAOYSA-N 2 2 354.494 3.516 20 0 FHADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnn1-c1ccccn1 ZINC000152225237 935317800 /nfs/dbraw/zinc/31/78/00/935317800.db2.gz OUVDTVZNUAMGLE-MRXNPFEDSA-N 2 2 358.449 3.612 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(N2CCOC2=O)c1 ZINC000152239619 935328643 /nfs/dbraw/zinc/32/86/43/935328643.db2.gz BOHJXPKHWNLRKX-INIZCTEOSA-N 2 2 362.433 3.680 20 0 FHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657362601 935369547 /nfs/dbraw/zinc/36/95/47/935369547.db2.gz XWCPSMDBWQELBC-JTHBVZDNSA-N 2 2 366.505 3.609 20 0 FHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000657362601 935369552 /nfs/dbraw/zinc/36/95/52/935369552.db2.gz XWCPSMDBWQELBC-JTHBVZDNSA-N 2 2 366.505 3.609 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365396 935385925 /nfs/dbraw/zinc/38/59/25/935385925.db2.gz ABOMYRMABPHGOZ-CRAIPNDOSA-N 2 2 366.431 3.910 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365396 935385931 /nfs/dbraw/zinc/38/59/31/935385931.db2.gz ABOMYRMABPHGOZ-CRAIPNDOSA-N 2 2 366.431 3.910 20 0 FHADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000559898683 935566849 /nfs/dbraw/zinc/56/68/49/935566849.db2.gz CSHCVWYURGNCDO-DYESRHJHSA-N 2 2 370.562 3.868 20 0 FHADLP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000559898683 935566852 /nfs/dbraw/zinc/56/68/52/935566852.db2.gz CSHCVWYURGNCDO-DYESRHJHSA-N 2 2 370.562 3.868 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431065 935712931 /nfs/dbraw/zinc/71/29/31/935712931.db2.gz CQZQVXOVTKICRO-QHAWAJNXSA-N 2 2 352.526 3.854 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431065 935712936 /nfs/dbraw/zinc/71/29/36/935712936.db2.gz CQZQVXOVTKICRO-QHAWAJNXSA-N 2 2 352.526 3.854 20 0 FHADLP COC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448172 935721755 /nfs/dbraw/zinc/72/17/55/935721755.db2.gz UBVGTRNUWKTEHK-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448172 935721758 /nfs/dbraw/zinc/72/17/58/935721758.db2.gz UBVGTRNUWKTEHK-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448172 935721759 /nfs/dbraw/zinc/72/17/59/935721759.db2.gz UBVGTRNUWKTEHK-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448172 935721763 /nfs/dbraw/zinc/72/17/63/935721763.db2.gz UBVGTRNUWKTEHK-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP Fc1ccc(COc2ccccc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000657440003 935755133 /nfs/dbraw/zinc/75/51/33/935755133.db2.gz JXYAQYDEBXKWNI-SFHVURJKSA-N 2 2 369.415 3.845 20 0 FHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446740 935781109 /nfs/dbraw/zinc/78/11/09/935781109.db2.gz KRAWDESMAPJTEM-JOCHJYFZSA-N 2 2 363.505 3.857 20 0 FHADLP Cc1ccc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446740 935781112 /nfs/dbraw/zinc/78/11/12/935781112.db2.gz KRAWDESMAPJTEM-JOCHJYFZSA-N 2 2 363.505 3.857 20 0 FHADLP Cc1cccc2[nH]c(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc21 ZINC000657448012 935788976 /nfs/dbraw/zinc/78/89/76/935788976.db2.gz VVIHSUYHVQJTOG-NRFANRHFSA-N 2 2 363.505 3.857 20 0 FHADLP Cc1cccc2[nH]c(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC000657448012 935788979 /nfs/dbraw/zinc/78/89/79/935788979.db2.gz VVIHSUYHVQJTOG-NRFANRHFSA-N 2 2 363.505 3.857 20 0 FHADLP CSc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000511152034 935807518 /nfs/dbraw/zinc/80/75/18/935807518.db2.gz AIFBIYJRLFKGGO-UHFFFAOYSA-N 2 2 355.551 3.942 20 0 FHADLP CSc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000511152034 935807521 /nfs/dbraw/zinc/80/75/21/935807521.db2.gz AIFBIYJRLFKGGO-UHFFFAOYSA-N 2 2 355.551 3.942 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccnn1-c1ccccc1 ZINC000684953819 935899034 /nfs/dbraw/zinc/89/90/34/935899034.db2.gz MLFONEFSDVFAGL-GOSISDBHSA-N 2 2 357.461 3.968 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])n2)CC1 ZINC000582724160 935989606 /nfs/dbraw/zinc/98/96/06/935989606.db2.gz BYBUNQLXILMLSZ-DLBZAZTESA-N 2 2 364.559 3.611 20 0 FHADLP Cc1cc(NCc2cc[nH+]c(N)c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001167614461 936107322 /nfs/dbraw/zinc/10/73/22/936107322.db2.gz NEWIXETZUZZLHC-UHFFFAOYSA-N 2 2 359.477 3.538 20 0 FHADLP Cc1cc(NCc2cc[nH+]c(N)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001167614461 936107327 /nfs/dbraw/zinc/10/73/27/936107327.db2.gz NEWIXETZUZZLHC-UHFFFAOYSA-N 2 2 359.477 3.538 20 0 FHADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000153468464 936205707 /nfs/dbraw/zinc/20/57/07/936205707.db2.gz DBOWXXJWCFTNPN-INIZCTEOSA-N 2 2 357.473 3.587 20 0 FHADLP CC1(C)CC([NH3+])CC(C)(C)N1c1c(Br)ccc2[nH+]ccn21 ZINC001167627982 936214931 /nfs/dbraw/zinc/21/49/31/936214931.db2.gz NACZMURGGDFLCO-UHFFFAOYSA-N 2 2 351.292 3.582 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636724 936276118 /nfs/dbraw/zinc/27/61/18/936276118.db2.gz VRUIQZUSINROPN-OTWHNJEPSA-N 2 2 365.562 3.582 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636724 936276120 /nfs/dbraw/zinc/27/61/20/936276120.db2.gz VRUIQZUSINROPN-OTWHNJEPSA-N 2 2 365.562 3.582 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636724 936276125 /nfs/dbraw/zinc/27/61/25/936276125.db2.gz VRUIQZUSINROPN-OTWHNJEPSA-N 2 2 365.562 3.582 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636724 936276130 /nfs/dbraw/zinc/27/61/30/936276130.db2.gz VRUIQZUSINROPN-OTWHNJEPSA-N 2 2 365.562 3.582 20 0 FHADLP COCC[NH2+]C1CC[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000650705711 938284055 /nfs/dbraw/zinc/28/40/55/938284055.db2.gz SSBVITJRUIFJQW-UHFFFAOYSA-N 2 2 372.484 3.605 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630198 938326187 /nfs/dbraw/zinc/32/61/87/938326187.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630198 938326189 /nfs/dbraw/zinc/32/61/89/938326189.db2.gz MYJVYBSWQREMJV-UNMCSNQZSA-N 2 2 353.554 3.790 20 0 FHADLP COc1ccc(C[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(OC)cc2)cc1 ZINC000151125907 938387449 /nfs/dbraw/zinc/38/74/49/938387449.db2.gz UFYUQZYBOKLFPA-JOCHJYFZSA-N 2 2 365.477 3.864 20 0 FHADLP Brc1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCS2 ZINC000151139003 938400051 /nfs/dbraw/zinc/40/00/51/938400051.db2.gz SBEBWRLMVTUFGW-CQSZACIVSA-N 2 2 352.301 3.862 20 0 FHADLP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000650755459 938415048 /nfs/dbraw/zinc/41/50/48/938415048.db2.gz FPNZTMPOUCCMIU-IBGZPJMESA-N 2 2 354.885 3.672 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)cc2)c1C ZINC000583846131 938449385 /nfs/dbraw/zinc/44/93/85/938449385.db2.gz MBAGGQZFMQZHGF-FQEVSTJZSA-N 2 2 352.482 3.835 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cc2)c1C ZINC000583846131 938449387 /nfs/dbraw/zinc/44/93/87/938449387.db2.gz MBAGGQZFMQZHGF-FQEVSTJZSA-N 2 2 352.482 3.835 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467137485 938458326 /nfs/dbraw/zinc/45/83/26/938458326.db2.gz KYSJEFJTLMSZHY-LBPRGKRZSA-N 2 2 366.387 3.635 20 0 FHADLP FC(F)(F)C1=CC[NH+](C/C=C\C[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000677569644 938475103 /nfs/dbraw/zinc/47/51/03/938475103.db2.gz WCPNKWPBWVSNSA-UPHRSURJSA-N 2 2 354.338 3.931 20 0 FHADLP FC(F)(F)C1=CC[NH+](C/C=C\C[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000677569644 938475108 /nfs/dbraw/zinc/47/51/08/938475108.db2.gz WCPNKWPBWVSNSA-UPHRSURJSA-N 2 2 354.338 3.931 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247557423 938482368 /nfs/dbraw/zinc/48/23/68/938482368.db2.gz FRJZBSMUAMYNOB-MSOLQXFVSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247557423 938482369 /nfs/dbraw/zinc/48/23/69/938482369.db2.gz FRJZBSMUAMYNOB-MSOLQXFVSA-N 2 2 354.498 3.726 20 0 FHADLP COC(=O)[C@@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507363219 945181340 /nfs/dbraw/zinc/18/13/40/945181340.db2.gz VHSIYHQWBVKIKF-SFHVURJKSA-N 2 2 363.461 3.684 20 0 FHADLP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507363219 945181343 /nfs/dbraw/zinc/18/13/43/945181343.db2.gz VHSIYHQWBVKIKF-SFHVURJKSA-N 2 2 363.461 3.684 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000278657113 938627334 /nfs/dbraw/zinc/62/73/34/938627334.db2.gz KFXQRCVNEQRZMB-UHFFFAOYSA-N 2 2 365.481 3.759 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302092 938677497 /nfs/dbraw/zinc/67/74/97/938677497.db2.gz RYOZKHSTTYNDMM-LULLPPNCSA-N 3 2 369.475 3.948 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302092 938677499 /nfs/dbraw/zinc/67/74/99/938677499.db2.gz RYOZKHSTTYNDMM-LULLPPNCSA-N 3 2 369.475 3.948 20 0 FHADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ncc(C(F)(F)F)s2)cc1 ZINC000278724393 938690455 /nfs/dbraw/zinc/69/04/55/938690455.db2.gz TXWYPKKGWDPJMX-UHFFFAOYSA-N 2 2 373.444 3.782 20 0 FHADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841344 938702109 /nfs/dbraw/zinc/70/21/09/938702109.db2.gz PEQWLBFZAFSQMJ-GOSISDBHSA-N 2 2 367.528 3.854 20 0 FHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958675 938709890 /nfs/dbraw/zinc/70/98/90/938709890.db2.gz QCPANATXHKPTPT-KRWDZBQOSA-N 2 2 372.488 3.556 20 0 FHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958675 938709894 /nfs/dbraw/zinc/70/98/94/938709894.db2.gz QCPANATXHKPTPT-KRWDZBQOSA-N 2 2 372.488 3.556 20 0 FHADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080958950 938709983 /nfs/dbraw/zinc/70/99/83/938709983.db2.gz NMEKSLOGOVHGAQ-AEFFLSMTSA-N 2 2 362.477 3.620 20 0 FHADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080958950 938709985 /nfs/dbraw/zinc/70/99/85/938709985.db2.gz NMEKSLOGOVHGAQ-AEFFLSMTSA-N 2 2 362.477 3.620 20 0 FHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1c(Cl)cccc1Cl ZINC000080960956 938710274 /nfs/dbraw/zinc/71/02/74/938710274.db2.gz OTNBVGRGBLBGFN-LBPRGKRZSA-N 2 2 367.280 3.925 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1c(Cl)cccc1Cl ZINC000080960956 938710271 /nfs/dbraw/zinc/71/02/71/938710271.db2.gz OTNBVGRGBLBGFN-LBPRGKRZSA-N 2 2 367.280 3.925 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080959636 938710373 /nfs/dbraw/zinc/71/03/73/938710373.db2.gz QMYQATUZWWCPCN-DZKIICNBSA-N 2 2 360.889 3.508 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000080959636 938710375 /nfs/dbraw/zinc/71/03/75/938710375.db2.gz QMYQATUZWWCPCN-DZKIICNBSA-N 2 2 360.889 3.508 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000278741331 938717092 /nfs/dbraw/zinc/71/70/92/938717092.db2.gz WLPWHBBXSNWQSZ-UHFFFAOYSA-N 2 2 364.449 3.526 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090667894 938882014 /nfs/dbraw/zinc/88/20/14/938882014.db2.gz VHOICCQFUFSCCU-IBGZPJMESA-N 2 2 364.537 3.866 20 0 FHADLP COc1cccc(COCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090806673 938882654 /nfs/dbraw/zinc/88/26/54/938882654.db2.gz RVUPGFSMEIUIEY-QGZVFWFLSA-N 2 2 351.450 3.748 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1OC ZINC000092066985 938910412 /nfs/dbraw/zinc/91/04/12/938910412.db2.gz WBXWLNRDSGAXLI-RHSMWYFYSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1OC ZINC000092066985 938910413 /nfs/dbraw/zinc/91/04/13/938910413.db2.gz WBXWLNRDSGAXLI-RHSMWYFYSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1OC ZINC000092066985 938910414 /nfs/dbraw/zinc/91/04/14/938910414.db2.gz WBXWLNRDSGAXLI-RHSMWYFYSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1OC ZINC000092066985 938910415 /nfs/dbraw/zinc/91/04/15/938910415.db2.gz WBXWLNRDSGAXLI-RHSMWYFYSA-N 2 2 364.917 3.806 20 0 FHADLP Brc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000092073263 938910921 /nfs/dbraw/zinc/91/09/21/938910921.db2.gz BDQDDPHIAQJRAM-AWEZNQCLSA-N 2 2 374.282 3.828 20 0 FHADLP Brc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000092073263 938910922 /nfs/dbraw/zinc/91/09/22/938910922.db2.gz BDQDDPHIAQJRAM-AWEZNQCLSA-N 2 2 374.282 3.828 20 0 FHADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072273 938910963 /nfs/dbraw/zinc/91/09/63/938910963.db2.gz UGDAXWLDRJRZCN-LBPRGKRZSA-N 2 2 350.260 3.560 20 0 FHADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072273 938910965 /nfs/dbraw/zinc/91/09/65/938910965.db2.gz UGDAXWLDRJRZCN-LBPRGKRZSA-N 2 2 350.260 3.560 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000092746402 938921241 /nfs/dbraw/zinc/92/12/41/938921241.db2.gz NZIYYTDRVTYDER-LSDHHAIUSA-N 2 2 360.452 3.523 20 0 FHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000363528700 938966796 /nfs/dbraw/zinc/96/67/96/938966796.db2.gz QXQIBPFVSTUZRI-MGPUTAFESA-N 2 2 359.539 3.598 20 0 FHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)c1 ZINC000363528700 938966797 /nfs/dbraw/zinc/96/67/97/938966797.db2.gz QXQIBPFVSTUZRI-MGPUTAFESA-N 2 2 359.539 3.598 20 0 FHADLP C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410737 938984230 /nfs/dbraw/zinc/98/42/30/938984230.db2.gz KFOZAQPXSJATOB-HNNXBMFYSA-N 2 2 366.431 3.665 20 0 FHADLP C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000685410737 938984231 /nfs/dbraw/zinc/98/42/31/938984231.db2.gz KFOZAQPXSJATOB-HNNXBMFYSA-N 2 2 366.431 3.665 20 0 FHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000685410737 938984232 /nfs/dbraw/zinc/98/42/32/938984232.db2.gz KFOZAQPXSJATOB-HNNXBMFYSA-N 2 2 366.431 3.665 20 0 FHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000685410737 938984233 /nfs/dbraw/zinc/98/42/33/938984233.db2.gz KFOZAQPXSJATOB-HNNXBMFYSA-N 2 2 366.431 3.665 20 0 FHADLP Cc1ccccc1-n1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000685410492 938984241 /nfs/dbraw/zinc/98/42/41/938984241.db2.gz CGJLFJFYBFTXHW-UHFFFAOYSA-N 2 2 367.541 3.664 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000685470810 938989466 /nfs/dbraw/zinc/98/94/66/938989466.db2.gz RZSBUFGDVSLJFW-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000685470810 938989467 /nfs/dbraw/zinc/98/94/67/938989467.db2.gz RZSBUFGDVSLJFW-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000685470810 938989468 /nfs/dbraw/zinc/98/94/68/938989468.db2.gz RZSBUFGDVSLJFW-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000685470810 938989469 /nfs/dbraw/zinc/98/94/69/938989469.db2.gz RZSBUFGDVSLJFW-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093335975 938993614 /nfs/dbraw/zinc/99/36/14/938993614.db2.gz HRBQZGMLFSVTRC-UHFFFAOYSA-N 2 2 359.539 3.594 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2nc3c(s2)CCCC3)cc1 ZINC000093335975 938993615 /nfs/dbraw/zinc/99/36/15/938993615.db2.gz HRBQZGMLFSVTRC-UHFFFAOYSA-N 2 2 359.539 3.594 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc2cnccc2o1 ZINC000657950172 939010717 /nfs/dbraw/zinc/01/07/17/939010717.db2.gz OQXHGTNURGYRGO-OAHLLOKOSA-N 2 2 365.481 3.926 20 0 FHADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(Cl)c1 ZINC000657981601 939015445 /nfs/dbraw/zinc/01/54/45/939015445.db2.gz SCPREDLPNNRLDF-JQWIXIFHSA-N 2 2 354.679 3.965 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2cc1OC ZINC000658019747 939018989 /nfs/dbraw/zinc/01/89/89/939018989.db2.gz PGFZDRHBDBVGHY-CXAGYDPISA-N 2 2 351.450 3.788 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059176 939020327 /nfs/dbraw/zinc/02/03/27/939020327.db2.gz VOUGVQCYBZOOOO-UKRRQHHQSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059176 939020328 /nfs/dbraw/zinc/02/03/28/939020328.db2.gz VOUGVQCYBZOOOO-UKRRQHHQSA-N 2 2 367.921 3.528 20 0 FHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055845 939020870 /nfs/dbraw/zinc/02/08/70/939020870.db2.gz JPMYIEXYQFFKDA-HUUCEWRRSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055845 939020871 /nfs/dbraw/zinc/02/08/71/939020871.db2.gz JPMYIEXYQFFKDA-HUUCEWRRSA-N 2 2 351.922 3.828 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056000 939020898 /nfs/dbraw/zinc/02/08/98/939020898.db2.gz KBSIZOUWMZRIJZ-NVXWUHKLSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056000 939020899 /nfs/dbraw/zinc/02/08/99/939020899.db2.gz KBSIZOUWMZRIJZ-NVXWUHKLSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091848 939022393 /nfs/dbraw/zinc/02/23/93/939022393.db2.gz NOMDVIQPXBAMBD-CRAIPNDOSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091848 939022394 /nfs/dbraw/zinc/02/23/94/939022394.db2.gz NOMDVIQPXBAMBD-CRAIPNDOSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)C1 ZINC000658101096 939026295 /nfs/dbraw/zinc/02/62/95/939026295.db2.gz MJLGPJLLIHSDIZ-RXVVDRJESA-N 2 2 356.558 3.815 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000658189483 939061562 /nfs/dbraw/zinc/06/15/62/939061562.db2.gz UHCPGMXAANBJAQ-DJSGYFEHSA-N 2 2 355.345 3.809 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC[N@H+]1C ZINC000658189483 939061566 /nfs/dbraw/zinc/06/15/66/939061566.db2.gz UHCPGMXAANBJAQ-DJSGYFEHSA-N 2 2 355.345 3.809 20 0 FHADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000658294184 939100083 /nfs/dbraw/zinc/10/00/83/939100083.db2.gz LZQJETDQVSUDOW-RBBKRZOGSA-N 2 2 370.537 3.622 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000658292500 939100176 /nfs/dbraw/zinc/10/01/76/939100176.db2.gz ZZVNMTUHYCUMJK-SJLPKXTDSA-N 2 2 354.494 3.752 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294027 939100197 /nfs/dbraw/zinc/10/01/97/939100197.db2.gz LHEFCXYLCNBBBQ-MJGOQNOKSA-N 2 2 364.917 3.705 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327414 939104835 /nfs/dbraw/zinc/10/48/35/939104835.db2.gz OCPWCGLFIXKOAR-PBHICJAKSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327414 939104837 /nfs/dbraw/zinc/10/48/37/939104837.db2.gz OCPWCGLFIXKOAR-PBHICJAKSA-N 2 2 374.447 3.654 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136023 /nfs/dbraw/zinc/13/60/23/939136023.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 3 2 371.613 3.993 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136025 /nfs/dbraw/zinc/13/60/25/939136025.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136028 /nfs/dbraw/zinc/13/60/28/939136028.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686504 939136032 /nfs/dbraw/zinc/13/60/32/939136032.db2.gz RIXAVWOCMAEULS-QPPBQGQZSA-N 3 2 371.613 3.993 20 0 FHADLP CC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1F ZINC000507465882 945253940 /nfs/dbraw/zinc/25/39/40/945253940.db2.gz BSQVFTGWBIKFJD-HNNXBMFYSA-N 2 2 362.411 3.990 20 0 FHADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000177340535 940126193 /nfs/dbraw/zinc/12/61/93/940126193.db2.gz IVTZGVGATYUKPJ-FQEVSTJZSA-N 2 2 373.541 3.640 20 0 FHADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000177340535 940126197 /nfs/dbraw/zinc/12/61/97/940126197.db2.gz IVTZGVGATYUKPJ-FQEVSTJZSA-N 2 2 373.541 3.640 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302916 /nfs/dbraw/zinc/30/29/16/945302916.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 2 2 363.549 3.790 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000507526211 945302926 /nfs/dbraw/zinc/30/29/26/945302926.db2.gz LKWNBYIRLRAFQE-QPXUXIHVSA-N 2 2 363.549 3.790 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3CCc4cc(Cl)ccc43)CCC[N@@H+]2C)cn1 ZINC000376169006 940406102 /nfs/dbraw/zinc/40/61/02/940406102.db2.gz ZFTNKIPSJIHSGA-XPGWFJOJSA-N 2 2 358.917 3.734 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3CCc4cc(Cl)ccc43)CCC[N@H+]2C)cn1 ZINC000376169006 940406104 /nfs/dbraw/zinc/40/61/04/940406104.db2.gz ZFTNKIPSJIHSGA-XPGWFJOJSA-N 2 2 358.917 3.734 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168798 940410136 /nfs/dbraw/zinc/41/01/36/940410136.db2.gz YEPGOWVXIXPKME-MDOVXXIYSA-N 2 2 369.538 3.764 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168798 940410138 /nfs/dbraw/zinc/41/01/38/940410138.db2.gz YEPGOWVXIXPKME-MDOVXXIYSA-N 2 2 369.538 3.764 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000177806874 940443482 /nfs/dbraw/zinc/44/34/82/940443482.db2.gz OBHSJEHAQYFDPA-HNNXBMFYSA-N 2 2 364.449 3.690 20 0 FHADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000414244308 940826573 /nfs/dbraw/zinc/82/65/73/940826573.db2.gz LBKWMUNWQBCQKL-DJPFJPOOSA-N 2 2 365.481 3.517 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337543 941002206 /nfs/dbraw/zinc/00/22/06/941002206.db2.gz QNEAMLSZVFITGA-NBYUQASBSA-N 2 2 359.558 3.864 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337543 941002209 /nfs/dbraw/zinc/00/22/09/941002209.db2.gz QNEAMLSZVFITGA-NBYUQASBSA-N 2 2 359.558 3.864 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414340290 941005046 /nfs/dbraw/zinc/00/50/46/941005046.db2.gz MPECRWVDSYQMRL-MZGVDSNGSA-N 2 2 365.521 3.694 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414340290 941005047 /nfs/dbraw/zinc/00/50/47/941005047.db2.gz MPECRWVDSYQMRL-MZGVDSNGSA-N 2 2 365.521 3.694 20 0 FHADLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176723494 941073617 /nfs/dbraw/zinc/07/36/17/941073617.db2.gz CZFGFZOFYQFMPQ-GHTZIAJQSA-N 2 2 374.488 3.655 20 0 FHADLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176723494 941073618 /nfs/dbraw/zinc/07/36/18/941073618.db2.gz CZFGFZOFYQFMPQ-GHTZIAJQSA-N 2 2 374.488 3.655 20 0 FHADLP Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1 ZINC000278806758 941126808 /nfs/dbraw/zinc/12/68/08/941126808.db2.gz GHMGRSPKTPWRHZ-UHFFFAOYSA-N 2 2 366.509 3.654 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccccc2c1NC1CC[NH+](CC2CC2)CC1 ZINC000215876028 941216754 /nfs/dbraw/zinc/21/67/54/941216754.db2.gz ZGYVVDSLLKLMCY-UHFFFAOYSA-N 2 2 353.466 3.698 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)sc2C1 ZINC000414579784 941385069 /nfs/dbraw/zinc/38/50/69/941385069.db2.gz QAVFTGLQJKBYKF-SJORKVTESA-N 2 2 365.587 3.981 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H](OC(C)(C)C)C3(C)C)sc2C1 ZINC000414579784 941385073 /nfs/dbraw/zinc/38/50/73/941385073.db2.gz QAVFTGLQJKBYKF-SJORKVTESA-N 2 2 365.587 3.981 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H]1c1cccnc1 ZINC000376969777 941481127 /nfs/dbraw/zinc/48/11/27/941481127.db2.gz XKWPRTRBNNBSOA-AVRDEDQJSA-N 2 2 368.500 3.604 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)cccc2N2CCCC2)[C@@H]1c1cccnc1 ZINC000376969777 941481130 /nfs/dbraw/zinc/48/11/30/941481130.db2.gz XKWPRTRBNNBSOA-AVRDEDQJSA-N 2 2 368.500 3.604 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000377081627 941509813 /nfs/dbraw/zinc/50/98/13/941509813.db2.gz XCDNAMCQNQDPSZ-GFCCVEGCSA-N 2 2 357.385 3.550 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000549138704 941510624 /nfs/dbraw/zinc/51/06/24/941510624.db2.gz KFAYKOUIBVRFOC-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000549138704 941510626 /nfs/dbraw/zinc/51/06/26/941510626.db2.gz KFAYKOUIBVRFOC-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000549138704 941510628 /nfs/dbraw/zinc/51/06/28/941510628.db2.gz KFAYKOUIBVRFOC-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000549138704 941510629 /nfs/dbraw/zinc/51/06/29/941510629.db2.gz KFAYKOUIBVRFOC-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP Cc1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc12 ZINC000377118380 941524572 /nfs/dbraw/zinc/52/45/72/941524572.db2.gz YEMYPECUWLQOMU-KRWDZBQOSA-N 2 2 361.493 3.851 20 0 FHADLP Cc1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc12 ZINC000377118380 941524575 /nfs/dbraw/zinc/52/45/75/941524575.db2.gz YEMYPECUWLQOMU-KRWDZBQOSA-N 2 2 361.493 3.851 20 0 FHADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000163686784 941547540 /nfs/dbraw/zinc/54/75/40/941547540.db2.gz JJYKBJFSESMJIN-HNNXBMFYSA-N 2 2 359.539 3.697 20 0 FHADLP CC(C)C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000163689412 941548104 /nfs/dbraw/zinc/54/81/04/941548104.db2.gz UPEIITJQUULSHE-JOCHJYFZSA-N 2 2 353.510 3.791 20 0 FHADLP Clc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079447 941588280 /nfs/dbraw/zinc/58/82/80/941588280.db2.gz HXCXQZAXUZHADV-SJLPKXTDSA-N 2 2 358.869 3.694 20 0 FHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729339076 941723023 /nfs/dbraw/zinc/72/30/23/941723023.db2.gz SVALXYJSPGOSRA-FQEVSTJZSA-N 2 2 370.541 3.960 20 0 FHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729339076 941723026 /nfs/dbraw/zinc/72/30/26/941723026.db2.gz SVALXYJSPGOSRA-FQEVSTJZSA-N 2 2 370.541 3.960 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000513228438 941787833 /nfs/dbraw/zinc/78/78/33/941787833.db2.gz WSPUYHVQWGSTTN-LJQANCHMSA-N 2 2 369.475 3.657 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000513228438 941787837 /nfs/dbraw/zinc/78/78/37/941787837.db2.gz WSPUYHVQWGSTTN-LJQANCHMSA-N 2 2 369.475 3.657 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000893021943 941899194 /nfs/dbraw/zinc/89/91/94/941899194.db2.gz XAKBFBPGJQBIJX-HNAYVOBHSA-N 2 2 364.511 3.539 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000893021943 941899198 /nfs/dbraw/zinc/89/91/98/941899198.db2.gz XAKBFBPGJQBIJX-HNAYVOBHSA-N 2 2 364.511 3.539 20 0 FHADLP c1cn(Cc2ccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)cc2)c[nH+]1 ZINC000513516838 941977615 /nfs/dbraw/zinc/97/76/15/941977615.db2.gz BJLNKNGCWQYUMQ-HSZRJFAPSA-N 2 2 369.472 3.795 20 0 FHADLP c1cn(-c2ccccc2C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000513513427 941983908 /nfs/dbraw/zinc/98/39/08/941983908.db2.gz SKQLJKJDIQRUCB-NRFANRHFSA-N 2 2 355.445 3.736 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537523 941994366 /nfs/dbraw/zinc/99/43/66/941994366.db2.gz AHDJFWYOJOOFLD-BTYIYWSLSA-N 2 2 372.459 3.963 20 0 FHADLP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000420768960 942200984 /nfs/dbraw/zinc/20/09/84/942200984.db2.gz IPCMMRYEZBHXDH-UHFFFAOYSA-N 2 2 354.498 3.540 20 0 FHADLP FC(F)(F)CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000420917592 942254093 /nfs/dbraw/zinc/25/40/93/942254093.db2.gz SUFCVWUEKCRCKO-UHFFFAOYSA-N 2 2 356.432 3.683 20 0 FHADLP FC(F)(F)CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)CC1CC1 ZINC000420917592 942254095 /nfs/dbraw/zinc/25/40/95/942254095.db2.gz SUFCVWUEKCRCKO-UHFFFAOYSA-N 2 2 356.432 3.683 20 0 FHADLP COc1ccccc1C(C)(C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420938112 942264627 /nfs/dbraw/zinc/26/46/27/942264627.db2.gz OVEPHKANQDEOAI-UHFFFAOYSA-N 2 2 354.494 3.552 20 0 FHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000420917100 942266889 /nfs/dbraw/zinc/26/68/89/942266889.db2.gz QJCAHCBKAILKBT-UHFFFAOYSA-N 2 2 372.553 3.690 20 0 FHADLP CC[NH+](CC)CCOc1ccc(NC(=O)NCc2cc(C)[nH+]c(C)c2)cc1 ZINC000421071332 942329617 /nfs/dbraw/zinc/32/96/17/942329617.db2.gz VDXMONAESRENDV-UHFFFAOYSA-N 2 2 370.497 3.741 20 0 FHADLP C/C=C\c1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421108916 942349296 /nfs/dbraw/zinc/34/92/96/942349296.db2.gz LSYXWNJGSHVUQE-UTCJRWHESA-N 2 2 370.541 3.744 20 0 FHADLP C/C=C\c1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421108916 942349298 /nfs/dbraw/zinc/34/92/98/942349298.db2.gz LSYXWNJGSHVUQE-UTCJRWHESA-N 2 2 370.541 3.744 20 0 FHADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502315274 942362250 /nfs/dbraw/zinc/36/22/50/942362250.db2.gz IGTYPYMEKHJLOB-KRWDZBQOSA-N 2 2 369.509 3.925 20 0 FHADLP COc1cc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502315274 942362256 /nfs/dbraw/zinc/36/22/56/942362256.db2.gz IGTYPYMEKHJLOB-KRWDZBQOSA-N 2 2 369.509 3.925 20 0 FHADLP c1cnn(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)c1 ZINC000502342791 942371212 /nfs/dbraw/zinc/37/12/12/942371212.db2.gz CDVHOQLYCNNAAE-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)c1 ZINC000502342791 942371219 /nfs/dbraw/zinc/37/12/19/942371219.db2.gz CDVHOQLYCNNAAE-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)ccc3C3CC3)CC2)CC1 ZINC000424899463 942438680 /nfs/dbraw/zinc/43/86/80/942438680.db2.gz YKPAHKJAPXALHN-UHFFFAOYSA-N 2 2 369.553 3.505 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)ccc3C3CC3)CC2)CC1 ZINC000424899463 942438685 /nfs/dbraw/zinc/43/86/85/942438685.db2.gz YKPAHKJAPXALHN-UHFFFAOYSA-N 2 2 369.553 3.505 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414835359 942518686 /nfs/dbraw/zinc/51/86/86/942518686.db2.gz RPMSEUOCXKCXGQ-CZUORRHYSA-N 2 2 365.399 3.712 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967023 942604422 /nfs/dbraw/zinc/60/44/22/942604422.db2.gz GMQBXBVAWSZWIY-DFQSSKMNSA-N 2 2 351.579 3.608 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967023 942604426 /nfs/dbraw/zinc/60/44/26/942604426.db2.gz GMQBXBVAWSZWIY-DFQSSKMNSA-N 2 2 351.579 3.608 20 0 FHADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420301385 942610830 /nfs/dbraw/zinc/61/08/30/942610830.db2.gz VSZFPMCZHLORNZ-ZDUSSCGKSA-N 2 2 360.914 3.758 20 0 FHADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000420301385 942610837 /nfs/dbraw/zinc/61/08/37/942610837.db2.gz VSZFPMCZHLORNZ-ZDUSSCGKSA-N 2 2 360.914 3.758 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342579 942619258 /nfs/dbraw/zinc/61/92/58/942619258.db2.gz OZOYAADPSDMXTH-GDZNZVCISA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342579 942619263 /nfs/dbraw/zinc/61/92/63/942619263.db2.gz OZOYAADPSDMXTH-GDZNZVCISA-N 2 2 352.935 3.869 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420360179 942637923 /nfs/dbraw/zinc/63/79/23/942637923.db2.gz KQTCRJLXGMHQRA-AZUAARDMSA-N 2 2 373.928 3.509 20 0 FHADLP Brc1cc2cccnc2c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358955 942638003 /nfs/dbraw/zinc/63/80/03/942638003.db2.gz FJWJWXSPLIIFPV-GOSISDBHSA-N 2 2 360.299 3.573 20 0 FHADLP Brc1cc2cccnc2c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420358955 942638006 /nfs/dbraw/zinc/63/80/06/942638006.db2.gz FJWJWXSPLIIFPV-GOSISDBHSA-N 2 2 360.299 3.573 20 0 FHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000420368670 942642423 /nfs/dbraw/zinc/64/24/23/942642423.db2.gz NWLNTVODLZNZKO-LBPRGKRZSA-N 2 2 364.704 3.563 20 0 FHADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000628351511 942659448 /nfs/dbraw/zinc/65/94/48/942659448.db2.gz HAFRJDDXYWNCJV-LJQANCHMSA-N 2 2 351.494 3.944 20 0 FHADLP c1nc(C2CC2)oc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000628351511 942659453 /nfs/dbraw/zinc/65/94/53/942659453.db2.gz HAFRJDDXYWNCJV-LJQANCHMSA-N 2 2 351.494 3.944 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502685691 942659762 /nfs/dbraw/zinc/65/97/62/942659762.db2.gz ROSZXVXCLVNMEE-SFHVURJKSA-N 2 2 368.525 3.681 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000414845523 942660002 /nfs/dbraw/zinc/66/00/02/942660002.db2.gz MDHANNLXUOHJLG-LJQANCHMSA-N 2 2 369.900 3.834 20 0 FHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368798 942664884 /nfs/dbraw/zinc/66/48/84/942664884.db2.gz IKOYOMJKCRWCNP-ROUUACIJSA-N 2 2 368.525 3.503 20 0 FHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368798 942664888 /nfs/dbraw/zinc/66/48/88/942664888.db2.gz IKOYOMJKCRWCNP-ROUUACIJSA-N 2 2 368.525 3.503 20 0 FHADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414846661 942714696 /nfs/dbraw/zinc/71/46/96/942714696.db2.gz NTTZIMKRYKGTSK-HRAATJIYSA-N 2 2 370.493 3.540 20 0 FHADLP CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)c2ccccc2C1 ZINC000378503014 942832931 /nfs/dbraw/zinc/83/29/31/942832931.db2.gz XHIFXYCKQGCBQV-HSZRJFAPSA-N 2 2 374.488 3.515 20 0 FHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154065 942880413 /nfs/dbraw/zinc/88/04/13/942880413.db2.gz GSXRAVIKRWSQPY-PMACEKPBSA-N 2 2 368.525 3.703 20 0 FHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154065 942880418 /nfs/dbraw/zinc/88/04/18/942880418.db2.gz GSXRAVIKRWSQPY-PMACEKPBSA-N 2 2 368.525 3.703 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120167 942917192 /nfs/dbraw/zinc/91/71/92/942917192.db2.gz FDNHMBYEXYGBQT-GOSISDBHSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120167 942917199 /nfs/dbraw/zinc/91/71/99/942917199.db2.gz FDNHMBYEXYGBQT-GOSISDBHSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120167 942917203 /nfs/dbraw/zinc/91/72/03/942917203.db2.gz FDNHMBYEXYGBQT-GOSISDBHSA-N 2 2 372.431 3.554 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCC(F)(F)F ZINC000430120167 942917209 /nfs/dbraw/zinc/91/72/09/942917209.db2.gz FDNHMBYEXYGBQT-GOSISDBHSA-N 2 2 372.431 3.554 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414852238 942927269 /nfs/dbraw/zinc/92/72/69/942927269.db2.gz QODVYKIBSNYGQP-OAHLLOKOSA-N 2 2 354.420 3.589 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)CC3CCCCC3)CC2)CC1 ZINC000422023992 942942089 /nfs/dbraw/zinc/94/20/89/942942089.db2.gz QEHDSSKMQZMTRW-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)CC3CCCCC3)CC2)CC1 ZINC000422023992 942942096 /nfs/dbraw/zinc/94/20/96/942942096.db2.gz QEHDSSKMQZMTRW-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000422018680 942953845 /nfs/dbraw/zinc/95/38/45/942953845.db2.gz KJPYMJHQJFGKIJ-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000422018680 942953849 /nfs/dbraw/zinc/95/38/49/942953849.db2.gz KJPYMJHQJFGKIJ-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055410 943029788 /nfs/dbraw/zinc/02/97/88/943029788.db2.gz YHLCUKBSOINYTE-GDLHICMESA-N 2 2 355.295 3.764 20 0 FHADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055410 943029796 /nfs/dbraw/zinc/02/97/96/943029796.db2.gz YHLCUKBSOINYTE-GDLHICMESA-N 2 2 355.295 3.764 20 0 FHADLP COc1cccc(COc2cccc(Cl)c2C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000414658735 943125409 /nfs/dbraw/zinc/12/54/09/943125409.db2.gz RKUYEFDOFCNGIW-MRXNPFEDSA-N 2 2 360.885 3.708 20 0 FHADLP COc1cccc(COc2cccc(Cl)c2C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000414658735 943125412 /nfs/dbraw/zinc/12/54/12/943125412.db2.gz RKUYEFDOFCNGIW-MRXNPFEDSA-N 2 2 360.885 3.708 20 0 FHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503411379 943168694 /nfs/dbraw/zinc/16/86/94/943168694.db2.gz OZMJBPMEKUGUQG-GOSISDBHSA-N 2 2 372.557 3.580 20 0 FHADLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503411379 943168699 /nfs/dbraw/zinc/16/86/99/943168699.db2.gz OZMJBPMEKUGUQG-GOSISDBHSA-N 2 2 372.557 3.580 20 0 FHADLP COc1cc(OC)cc(Oc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)c1 ZINC000422562394 943183132 /nfs/dbraw/zinc/18/31/32/943183132.db2.gz PVRXDPHPYZUOLP-UHFFFAOYSA-N 2 2 368.477 3.824 20 0 FHADLP C[NH+](C)CCc1ccccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425284747 943189828 /nfs/dbraw/zinc/18/98/28/943189828.db2.gz RHPZOAJLYKWALW-LJQANCHMSA-N 2 2 362.477 3.675 20 0 FHADLP CCCC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272636673 943190857 /nfs/dbraw/zinc/19/08/57/943190857.db2.gz BNHLSWVXSLVTCW-UHFFFAOYSA-N 2 2 371.447 3.932 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@@H]1C[NH3+] ZINC000422631175 943214243 /nfs/dbraw/zinc/21/42/43/943214243.db2.gz FEIBHMXWZBJRFY-DYEKYZERSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@@H]1C[NH3+] ZINC000422631175 943214247 /nfs/dbraw/zinc/21/42/47/943214247.db2.gz FEIBHMXWZBJRFY-DYEKYZERSA-N 2 2 368.403 3.561 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738186 943250805 /nfs/dbraw/zinc/25/08/05/943250805.db2.gz VGWKESLSEGFGIT-CZUORRHYSA-N 2 2 364.839 3.712 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738186 943250814 /nfs/dbraw/zinc/25/08/14/943250814.db2.gz VGWKESLSEGFGIT-CZUORRHYSA-N 2 2 364.839 3.712 20 0 FHADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738184 943251000 /nfs/dbraw/zinc/25/10/00/943251000.db2.gz VGWKESLSEGFGIT-BBRMVZONSA-N 2 2 364.839 3.712 20 0 FHADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738184 943251004 /nfs/dbraw/zinc/25/10/04/943251004.db2.gz VGWKESLSEGFGIT-BBRMVZONSA-N 2 2 364.839 3.712 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422726292 943260539 /nfs/dbraw/zinc/26/05/39/943260539.db2.gz ZRPHPWSACQXWBY-CVEARBPZSA-N 2 2 352.404 3.511 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727134 943261613 /nfs/dbraw/zinc/26/16/13/943261613.db2.gz GVYZEPOUMMMRCE-KSZLIROESA-N 2 2 355.448 3.529 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727134 943261617 /nfs/dbraw/zinc/26/16/17/943261617.db2.gz GVYZEPOUMMMRCE-KSZLIROESA-N 2 2 355.448 3.529 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422786271 943282288 /nfs/dbraw/zinc/28/22/88/943282288.db2.gz KRRUPYNRSJLVFE-GAJHUEQPSA-N 2 2 362.521 3.596 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765697 943285374 /nfs/dbraw/zinc/28/53/74/943285374.db2.gz RBFOXJDFADBZDD-RWQQGDIJSA-N 3 2 369.475 3.805 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765697 943285379 /nfs/dbraw/zinc/28/53/79/943285379.db2.gz RBFOXJDFADBZDD-RWQQGDIJSA-N 3 2 369.475 3.805 20 0 FHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295740 943290038 /nfs/dbraw/zinc/29/00/38/943290038.db2.gz JEDVVYFZFHOMGW-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295740 943290044 /nfs/dbraw/zinc/29/00/44/943290044.db2.gz JEDVVYFZFHOMGW-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295740 943290048 /nfs/dbraw/zinc/29/00/48/943290048.db2.gz JEDVVYFZFHOMGW-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295740 943290054 /nfs/dbraw/zinc/29/00/54/943290054.db2.gz JEDVVYFZFHOMGW-QGZVFWFLSA-N 2 2 360.395 3.685 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H](c2cccnc2)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422830155 943298075 /nfs/dbraw/zinc/29/80/75/943298075.db2.gz IFLVZNFMSDFJEB-FSSWDIPSSA-N 2 2 353.510 3.913 20 0 FHADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000503635352 943302019 /nfs/dbraw/zinc/30/20/19/943302019.db2.gz KOZIOIHQDGQGNQ-AWEZNQCLSA-N 2 2 365.399 3.992 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422853617 943307323 /nfs/dbraw/zinc/30/73/23/943307323.db2.gz ZKXDAARIFPGDEN-UXHICEINSA-N 2 2 355.457 3.698 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422880940 943315501 /nfs/dbraw/zinc/31/55/01/943315501.db2.gz XXDWMHAQCSKOHP-TZMOSPSESA-N 2 2 368.521 3.633 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888253 943318097 /nfs/dbraw/zinc/31/80/97/943318097.db2.gz CHKYKZHNKDZSTM-LEWJYISDSA-N 3 2 353.510 3.642 20 0 FHADLP C[C@H]([NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422872800 943321884 /nfs/dbraw/zinc/32/18/84/943321884.db2.gz IRUHMGDMSKCBNY-KPZWWZAWSA-N 2 2 363.274 3.875 20 0 FHADLP COc1ccc(C[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913914 943329036 /nfs/dbraw/zinc/32/90/36/943329036.db2.gz ZKARTNXXUSFMCX-DBVUQKKJSA-N 2 2 354.494 3.718 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422936628 943338361 /nfs/dbraw/zinc/33/83/61/943338361.db2.gz FLGWJMOBJNCTFD-BVGQSLNGSA-N 2 2 350.915 3.848 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1c[nH+]ccc1N ZINC000423004080 943362251 /nfs/dbraw/zinc/36/22/51/943362251.db2.gz JCNROZUDHQSOAW-MRXNPFEDSA-N 3 2 350.466 3.570 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1c[nH+]ccc1N ZINC000423004080 943362255 /nfs/dbraw/zinc/36/22/55/943362255.db2.gz JCNROZUDHQSOAW-MRXNPFEDSA-N 3 2 350.466 3.570 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000435368270 943362430 /nfs/dbraw/zinc/36/24/30/943362430.db2.gz ACGUDSDTTVWGDB-UHFFFAOYSA-N 2 2 352.507 3.785 20 0 FHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370987 943364431 /nfs/dbraw/zinc/36/44/31/943364431.db2.gz KTRCLKDDFOXYSV-NEPJUHHUSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370987 943364436 /nfs/dbraw/zinc/36/44/36/943364436.db2.gz KTRCLKDDFOXYSV-NEPJUHHUSA-N 2 2 355.429 3.998 20 0 FHADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435379436 943367895 /nfs/dbraw/zinc/36/78/95/943367895.db2.gz MGUQBAFGYXAWBH-SNRMKQJTSA-N 2 2 357.523 3.590 20 0 FHADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435379436 943367899 /nfs/dbraw/zinc/36/78/99/943367899.db2.gz MGUQBAFGYXAWBH-SNRMKQJTSA-N 2 2 357.523 3.590 20 0 FHADLP COc1cc(C)c(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435393378 943379611 /nfs/dbraw/zinc/37/96/11/943379611.db2.gz JLIXODKTHBOXET-HXUWFJFHSA-N 2 2 369.509 3.552 20 0 FHADLP COc1cc(C)c(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435393378 943379618 /nfs/dbraw/zinc/37/96/18/943379618.db2.gz JLIXODKTHBOXET-HXUWFJFHSA-N 2 2 369.509 3.552 20 0 FHADLP COc1ccc2oc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000435395299 943381464 /nfs/dbraw/zinc/38/14/64/943381464.db2.gz RXGCDTJILIGINY-IBGZPJMESA-N 2 2 365.477 3.981 20 0 FHADLP COc1ccc2oc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2c1 ZINC000435395299 943381468 /nfs/dbraw/zinc/38/14/68/943381468.db2.gz RXGCDTJILIGINY-IBGZPJMESA-N 2 2 365.477 3.981 20 0 FHADLP Cc1[nH+]c2cc(NCc3cc(-n4cc[nH+]c4)cs3)ccc2n1[C@H](C)CO ZINC000514925779 943389480 /nfs/dbraw/zinc/38/94/80/943389480.db2.gz XFURWCABAUQWTD-CYBMUJFWSA-N 2 2 367.478 3.757 20 0 FHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423103199 943395275 /nfs/dbraw/zinc/39/52/75/943395275.db2.gz KXYKXBAAYPTYMN-PGRDOPGGSA-N 2 2 361.489 3.709 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423107858 943403743 /nfs/dbraw/zinc/40/37/43/943403743.db2.gz FMYNYNUFNMUQPU-GCJKJVERSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423107858 943403748 /nfs/dbraw/zinc/40/37/48/943403748.db2.gz FMYNYNUFNMUQPU-GCJKJVERSA-N 3 2 366.553 3.800 20 0 FHADLP CCCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435444834 943420394 /nfs/dbraw/zinc/42/03/94/943420394.db2.gz BBMJMJXEJFJVMM-GOSISDBHSA-N 2 2 359.539 3.852 20 0 FHADLP CCCOc1cccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000435444834 943420396 /nfs/dbraw/zinc/42/03/96/943420396.db2.gz BBMJMJXEJFJVMM-GOSISDBHSA-N 2 2 359.539 3.852 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(C)c2ncccc2c1)C[C@H]1CC[NH2+]C1 ZINC000435445760 943421201 /nfs/dbraw/zinc/42/12/01/943421201.db2.gz HGUZHGHXWBBVOI-KRWDZBQOSA-N 2 2 366.534 3.920 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(C)c2ncccc2c1)C[C@H]1CC[NH2+]C1 ZINC000435445760 943421204 /nfs/dbraw/zinc/42/12/04/943421204.db2.gz HGUZHGHXWBBVOI-KRWDZBQOSA-N 2 2 366.534 3.920 20 0 FHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1Br ZINC000423191545 943436224 /nfs/dbraw/zinc/43/62/24/943436224.db2.gz SVJZWZORYROKLQ-CYBMUJFWSA-N 2 2 366.278 3.814 20 0 FHADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423239369 943444887 /nfs/dbraw/zinc/44/48/87/943444887.db2.gz JXMBBQCCQDGYQF-SBUREZEXSA-N 2 2 367.537 3.839 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000515039001 943466573 /nfs/dbraw/zinc/46/65/73/943466573.db2.gz WKBOBGQAUKXRHB-XUVXKRRUSA-N 2 2 367.541 3.709 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000515039001 943466575 /nfs/dbraw/zinc/46/65/75/943466575.db2.gz WKBOBGQAUKXRHB-XUVXKRRUSA-N 2 2 367.541 3.709 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000423310002 943472566 /nfs/dbraw/zinc/47/25/66/943472566.db2.gz RAJLABMYMHRKLZ-ZIAGYGMSSA-N 2 2 358.511 3.647 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000423310002 943472568 /nfs/dbraw/zinc/47/25/68/943472568.db2.gz RAJLABMYMHRKLZ-ZIAGYGMSSA-N 2 2 358.511 3.647 20 0 FHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372221 943485536 /nfs/dbraw/zinc/48/55/36/943485536.db2.gz AXOSLQZTAMZNGK-NHCUHLMSSA-N 2 2 353.510 3.742 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1F ZINC000423361435 943491091 /nfs/dbraw/zinc/49/10/91/943491091.db2.gz GUANOJFRUQDGDZ-KNQAVFIVSA-N 2 2 371.475 3.669 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281442 943508095 /nfs/dbraw/zinc/50/80/95/943508095.db2.gz UUCVOCIODGNVCA-PBHICJAKSA-N 2 2 352.404 3.601 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281442 943508098 /nfs/dbraw/zinc/50/80/98/943508098.db2.gz UUCVOCIODGNVCA-PBHICJAKSA-N 2 2 352.404 3.601 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496110 943537856 /nfs/dbraw/zinc/53/78/56/943537856.db2.gz DFUOXKXZQMKPIC-VGOFRKELSA-N 3 2 355.526 3.540 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934306 943731800 /nfs/dbraw/zinc/73/18/00/943731800.db2.gz AALHMBAYXAJTMU-UIAACRFSSA-N 2 2 355.457 3.565 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934306 943731803 /nfs/dbraw/zinc/73/18/03/943731803.db2.gz AALHMBAYXAJTMU-UIAACRFSSA-N 2 2 355.457 3.565 20 0 FHADLP C[NH2+]CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000435884725 943818088 /nfs/dbraw/zinc/81/80/88/943818088.db2.gz WFJIKWMTLOTRQL-UHFFFAOYSA-N 2 2 352.482 3.607 20 0 FHADLP C[NH2+]CCC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000435884725 943818091 /nfs/dbraw/zinc/81/80/91/943818091.db2.gz WFJIKWMTLOTRQL-UHFFFAOYSA-N 2 2 352.482 3.607 20 0 FHADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH+]4CCSCC4)CCCCC3)C[C@H]2C1 ZINC000424296746 943824300 /nfs/dbraw/zinc/82/43/00/943824300.db2.gz FVHDPKVZBAUEFP-QGFMHUBQSA-N 2 2 352.588 3.531 20 0 FHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584868293 943830365 /nfs/dbraw/zinc/83/03/65/943830365.db2.gz XQUREAWNLHLIPE-BLSFAOBESA-N 2 2 356.482 3.718 20 0 FHADLP CC[N@H+](C[C@@H](OC)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425415629 943851256 /nfs/dbraw/zinc/85/12/56/943851256.db2.gz KDGNCCRDROPLKI-LJQANCHMSA-N 2 2 360.546 3.624 20 0 FHADLP CC[N@@H+](C[C@@H](OC)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425415629 943851258 /nfs/dbraw/zinc/85/12/58/943851258.db2.gz KDGNCCRDROPLKI-LJQANCHMSA-N 2 2 360.546 3.624 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@H](C)C1 ZINC000660306117 943944666 /nfs/dbraw/zinc/94/46/66/943944666.db2.gz OPABOESCNQGQHZ-RHSMWYFYSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@H](C)C1 ZINC000660306117 943944669 /nfs/dbraw/zinc/94/46/69/943944669.db2.gz OPABOESCNQGQHZ-RHSMWYFYSA-N 2 2 374.447 3.654 20 0 FHADLP COc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000515556201 943991427 /nfs/dbraw/zinc/99/14/27/943991427.db2.gz HULONKPUYPOKSI-UHFFFAOYSA-N 2 2 356.857 3.643 20 0 FHADLP COc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)n1 ZINC000515556201 943991430 /nfs/dbraw/zinc/99/14/30/943991430.db2.gz HULONKPUYPOKSI-UHFFFAOYSA-N 2 2 356.857 3.643 20 0 FHADLP Fc1cccc2[nH]c(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)cc21 ZINC000436273183 944171791 /nfs/dbraw/zinc/17/17/91/944171791.db2.gz IQKRFFXSGRLKBC-UHFFFAOYSA-N 2 2 366.484 3.609 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934071 944216659 /nfs/dbraw/zinc/21/66/59/944216659.db2.gz YZLPZEXXTWOTMA-IIBYNOLFSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934071 944216663 /nfs/dbraw/zinc/21/66/63/944216663.db2.gz YZLPZEXXTWOTMA-IIBYNOLFSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425934071 944216665 /nfs/dbraw/zinc/21/66/65/944216665.db2.gz YZLPZEXXTWOTMA-IIBYNOLFSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425934071 944216670 /nfs/dbraw/zinc/21/66/70/944216670.db2.gz YZLPZEXXTWOTMA-IIBYNOLFSA-N 2 2 360.448 3.595 20 0 FHADLP Cc1cc(Cl)cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000517334885 944228002 /nfs/dbraw/zinc/22/80/02/944228002.db2.gz YTOUGFTXBZHHQQ-UHFFFAOYSA-N 2 2 358.917 3.608 20 0 FHADLP COC(=O)C1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000425953874 944385907 /nfs/dbraw/zinc/38/59/07/944385907.db2.gz LXBMMMXVKTZJPP-CBNMVNINSA-N 2 2 358.526 3.781 20 0 FHADLP Brc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCn1cc[nH+]c1 ZINC000518508191 944452025 /nfs/dbraw/zinc/45/20/25/944452025.db2.gz ZYUVBYVYQZINOZ-MRXNPFEDSA-N 2 2 359.271 3.794 20 0 FHADLP CCCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000894730314 944511650 /nfs/dbraw/zinc/51/16/50/944511650.db2.gz VXOCNMODHAPHNK-INIZCTEOSA-N 2 2 363.571 3.731 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638620725 944638602 /nfs/dbraw/zinc/63/86/02/944638602.db2.gz MJGDDKZNUXAYTR-COPCDDAFSA-N 2 2 366.505 3.686 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638620725 944638608 /nfs/dbraw/zinc/63/86/08/944638608.db2.gz MJGDDKZNUXAYTR-COPCDDAFSA-N 2 2 366.505 3.686 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000608073095 944643959 /nfs/dbraw/zinc/64/39/59/944643959.db2.gz NGYYAVLHGRSPTO-OAQYLSRUSA-N 2 2 357.461 3.679 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1O ZINC000426413201 944712145 /nfs/dbraw/zinc/71/21/45/944712145.db2.gz REVNNSRWWRSHMG-INIZCTEOSA-N 2 2 351.450 3.697 20 0 FHADLP Cc1noc2ncc(C[NH2+][C@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)cc12 ZINC000894357256 944725514 /nfs/dbraw/zinc/72/55/14/944725514.db2.gz SCDIIXVDCFXHAD-HXUWFJFHSA-N 2 2 361.449 3.876 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414892637 944736405 /nfs/dbraw/zinc/73/64/05/944736405.db2.gz XCLXIAHCJLLFHW-RTBURBONSA-N 2 2 362.420 3.532 20 0 FHADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414940896 944922946 /nfs/dbraw/zinc/92/29/46/944922946.db2.gz KYFUEAFRZFRRFI-OAQYLSRUSA-N 2 2 367.537 3.856 20 0 FHADLP Clc1ccc(SCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466684 944981573 /nfs/dbraw/zinc/98/15/73/944981573.db2.gz BABFQPGUZKFEGG-KRWDZBQOSA-N 2 2 354.947 3.619 20 0 FHADLP Clc1ccc(SCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466684 944981578 /nfs/dbraw/zinc/98/15/78/944981578.db2.gz BABFQPGUZKFEGG-KRWDZBQOSA-N 2 2 354.947 3.619 20 0 FHADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414949300 945007481 /nfs/dbraw/zinc/00/74/81/945007481.db2.gz ZTHIKZXUFCGEMS-ABAIWWIYSA-N 2 2 366.328 3.660 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415004987 945018283 /nfs/dbraw/zinc/01/82/83/945018283.db2.gz OMSQXMPEMNNFBZ-YPIGPJMWSA-N 3 2 367.512 3.602 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000437110144 945031442 /nfs/dbraw/zinc/03/14/42/945031442.db2.gz UQENYDJGOAFZKC-SIKLNZKXSA-N 2 2 366.553 3.926 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000437110144 945031455 /nfs/dbraw/zinc/03/14/55/945031455.db2.gz UQENYDJGOAFZKC-SIKLNZKXSA-N 2 2 366.553 3.926 20 0 FHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000519033203 945048397 /nfs/dbraw/zinc/04/83/97/945048397.db2.gz IKDWUOCUGPBFBH-FXAWDEMLSA-N 2 2 353.514 3.781 20 0 FHADLP c1nc(-c2ccncc2)sc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000440347389 945426893 /nfs/dbraw/zinc/42/68/93/945426893.db2.gz YTMMORJUADOVNO-UHFFFAOYSA-N 2 2 364.518 3.743 20 0 FHADLP c1nc(-c2ccncc2)sc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000440347389 945426895 /nfs/dbraw/zinc/42/68/95/945426895.db2.gz YTMMORJUADOVNO-UHFFFAOYSA-N 2 2 364.518 3.743 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3cccnc3)C3CCC3)[nH+]c2)C1 ZINC000280948829 945476512 /nfs/dbraw/zinc/47/65/12/945476512.db2.gz TXANNPLTVUQDRD-PZJWPPBQSA-N 2 2 351.498 3.570 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000281029806 945502085 /nfs/dbraw/zinc/50/20/85/945502085.db2.gz PBNNWLPJPJUOPF-ZHRRBRCNSA-N 2 2 351.494 3.980 20 0 FHADLP Fc1cncc([C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)c1 ZINC000281363041 945614291 /nfs/dbraw/zinc/61/42/91/945614291.db2.gz WFPXILZAVHJHAZ-JOCHJYFZSA-N 2 2 353.485 3.969 20 0 FHADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000519689595 945662326 /nfs/dbraw/zinc/66/23/26/945662326.db2.gz MOHBQNZDKMHFAK-MXTNKPTQSA-N 2 2 351.494 3.976 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000519789870 945743824 /nfs/dbraw/zinc/74/38/24/945743824.db2.gz HEVUCTLRDBGCEJ-ICSRJNTNSA-N 2 2 352.526 3.563 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000519789870 945743832 /nfs/dbraw/zinc/74/38/32/945743832.db2.gz HEVUCTLRDBGCEJ-ICSRJNTNSA-N 2 2 352.526 3.563 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651734029 945802122 /nfs/dbraw/zinc/80/21/22/945802122.db2.gz ZMWJNBMFKNJPNG-PDIWNELESA-N 2 2 365.521 3.777 20 0 FHADLP C[C@@H]1CC([N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065965 945816025 /nfs/dbraw/zinc/81/60/25/945816025.db2.gz ZJERXXVHNZHNHH-CSJNCLCHSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1CC([N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065965 945816032 /nfs/dbraw/zinc/81/60/32/945816032.db2.gz ZJERXXVHNZHNHH-CSJNCLCHSA-N 2 2 368.443 3.832 20 0 FHADLP COC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737860 945981114 /nfs/dbraw/zinc/98/11/14/945981114.db2.gz HGLFQRWCZNRVCN-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737860 945981122 /nfs/dbraw/zinc/98/11/22/945981122.db2.gz HGLFQRWCZNRVCN-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737860 945981129 /nfs/dbraw/zinc/98/11/29/945981129.db2.gz HGLFQRWCZNRVCN-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737860 945981134 /nfs/dbraw/zinc/98/11/34/945981134.db2.gz HGLFQRWCZNRVCN-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP CC(C)c1cc(N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000301877768 946016516 /nfs/dbraw/zinc/01/65/16/946016516.db2.gz TWSNGCBFYMBPHO-OALUTQOASA-N 2 2 373.589 3.718 20 0 FHADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000441034792 946146628 /nfs/dbraw/zinc/14/66/28/946146628.db2.gz CFYUBXLGEGOKQJ-INIZCTEOSA-N 2 2 351.485 3.516 20 0 FHADLP c1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cs1 ZINC000045806877 946162060 /nfs/dbraw/zinc/16/20/60/946162060.db2.gz MRMZLFZJHJOPEH-UHFFFAOYSA-N 2 2 360.527 3.886 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247331 946341407 /nfs/dbraw/zinc/34/14/07/946341407.db2.gz RGKSMIKWJJEXFQ-KYJSFNMBSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247331 946341421 /nfs/dbraw/zinc/34/14/21/946341421.db2.gz RGKSMIKWJJEXFQ-KYJSFNMBSA-N 2 2 373.324 3.556 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)C2 ZINC000475108088 946386576 /nfs/dbraw/zinc/38/65/76/946386576.db2.gz HGNKCCNHTVWETC-SFHVURJKSA-N 2 2 374.573 3.609 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)CC2 ZINC000475108088 946386586 /nfs/dbraw/zinc/38/65/86/946386586.db2.gz HGNKCCNHTVWETC-SFHVURJKSA-N 2 2 374.573 3.609 20 0 FHADLP Cc1ccc2[nH]c(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc2c1C ZINC000473131956 946408210 /nfs/dbraw/zinc/40/82/10/946408210.db2.gz JRLVUSFOPZTQBD-RTBURBONSA-N 2 2 368.569 3.775 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1)CC(C)C ZINC000897306383 946443560 /nfs/dbraw/zinc/44/35/60/946443560.db2.gz ZOVBWUHEWPUZTQ-UHFFFAOYSA-N 2 2 362.562 3.533 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1)CC(C)C ZINC000897306383 946443565 /nfs/dbraw/zinc/44/35/65/946443565.db2.gz ZOVBWUHEWPUZTQ-UHFFFAOYSA-N 2 2 362.562 3.533 20 0 FHADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441372506 946523783 /nfs/dbraw/zinc/52/37/83/946523783.db2.gz POIOYEBWAFQOJO-FXAWDEMLSA-N 2 2 356.514 3.524 20 0 FHADLP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441372511 946523852 /nfs/dbraw/zinc/52/38/52/946523852.db2.gz POIOYEBWAFQOJO-YLJYHZDGSA-N 2 2 356.514 3.524 20 0 FHADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1CC1CC[NH2+]CC1 ZINC000520412087 946557213 /nfs/dbraw/zinc/55/72/13/946557213.db2.gz MPSFNVLXVKYIBJ-UHFFFAOYSA-N 2 2 360.461 3.871 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000655719378 946611689 /nfs/dbraw/zinc/61/16/89/946611689.db2.gz RZHLASDVZULSAP-UHFFFAOYSA-N 2 2 358.917 3.941 20 0 FHADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)o2)cc1 ZINC000475576420 946726151 /nfs/dbraw/zinc/72/61/51/946726151.db2.gz WVRXZZQQJXCISP-UHFFFAOYSA-N 2 2 368.477 3.840 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475580917 946744655 /nfs/dbraw/zinc/74/46/55/946744655.db2.gz MKDWMPRHEFCLBZ-UHFFFAOYSA-N 2 2 352.526 3.655 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)s1 ZINC000511922365 947005977 /nfs/dbraw/zinc/00/59/77/947005977.db2.gz KHGQKTDDUVFIMY-QZTJIDSGSA-N 2 2 359.539 3.678 20 0 FHADLP C[C@H](CC[NH+]1CCC(c2ccon2)CC1)[NH+]1CCC(c2ccon2)CC1 ZINC000662047924 947134420 /nfs/dbraw/zinc/13/44/20/947134420.db2.gz LNUCTUCSYOVJJY-MRXNPFEDSA-N 2 2 358.486 3.500 20 0 FHADLP CC1(C)CC(Nc2[nH+]cnc3c2cnn3-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000301095809 947175065 /nfs/dbraw/zinc/17/50/65/947175065.db2.gz VEEQJZRLYUWQKG-UHFFFAOYSA-N 2 2 350.470 3.537 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692746 947222747 /nfs/dbraw/zinc/22/27/47/947222747.db2.gz VYRZDZDQJLTVNL-PKTZIBPZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692746 947222755 /nfs/dbraw/zinc/22/27/55/947222755.db2.gz VYRZDZDQJLTVNL-PKTZIBPZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692746 947222764 /nfs/dbraw/zinc/22/27/64/947222764.db2.gz VYRZDZDQJLTVNL-PKTZIBPZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692746 947222772 /nfs/dbraw/zinc/22/27/72/947222772.db2.gz VYRZDZDQJLTVNL-PKTZIBPZSA-N 2 2 372.553 3.701 20 0 FHADLP Cc1cn2cc(NC(=O)N(CC[NH+](C)C)Cc3cccc(C)c3)ccc2[nH+]1 ZINC000523423330 947253969 /nfs/dbraw/zinc/25/39/69/947253969.db2.gz VWKVGGDPNZHUEM-UHFFFAOYSA-N 2 2 365.481 3.547 20 0 FHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441460332 947592029 /nfs/dbraw/zinc/59/20/29/947592029.db2.gz DAHIXHOENLVEGP-NRFANRHFSA-N 2 2 371.569 3.622 20 0 FHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441460332 947592037 /nfs/dbraw/zinc/59/20/37/947592037.db2.gz DAHIXHOENLVEGP-NRFANRHFSA-N 2 2 371.569 3.622 20 0 FHADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662290411 947713996 /nfs/dbraw/zinc/71/39/96/947713996.db2.gz ULPQDOGMJCHLSE-AWEZNQCLSA-N 2 2 370.324 3.644 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365166 947763043 /nfs/dbraw/zinc/76/30/43/947763043.db2.gz PTCKEXOJDYDFDB-RDTXWAMCSA-N 2 2 370.522 3.548 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365166 947763048 /nfs/dbraw/zinc/76/30/48/947763048.db2.gz PTCKEXOJDYDFDB-RDTXWAMCSA-N 2 2 370.522 3.548 20 0 FHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000165340944 947907885 /nfs/dbraw/zinc/90/78/85/947907885.db2.gz PVUJHZBECQVPPI-OAQYLSRUSA-N 2 2 374.488 3.708 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824250 948105395 /nfs/dbraw/zinc/10/53/95/948105395.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824250 948105400 /nfs/dbraw/zinc/10/54/00/948105400.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001167824250 948105404 /nfs/dbraw/zinc/10/54/04/948105404.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001167824250 948105409 /nfs/dbraw/zinc/10/54/09/948105409.db2.gz GKDCVOFVVWGKDM-FHWLQOOXSA-N 3 2 364.603 3.550 20 0 FHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432362344 948214411 /nfs/dbraw/zinc/21/44/11/948214411.db2.gz KOARVHFNFXWKAS-ZDUSSCGKSA-N 2 2 361.313 3.593 20 0 FHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432362344 948214424 /nfs/dbraw/zinc/21/44/24/948214424.db2.gz KOARVHFNFXWKAS-ZDUSSCGKSA-N 2 2 361.313 3.593 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1F ZINC000432415106 948364198 /nfs/dbraw/zinc/36/41/98/948364198.db2.gz MTLGEMGDAQLRAK-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1F ZINC000432415106 948364201 /nfs/dbraw/zinc/36/42/01/948364201.db2.gz MTLGEMGDAQLRAK-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1Br ZINC000432418673 948374081 /nfs/dbraw/zinc/37/40/81/948374081.db2.gz UJPHTACVUQNCPJ-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1Br ZINC000432418673 948374087 /nfs/dbraw/zinc/37/40/87/948374087.db2.gz UJPHTACVUQNCPJ-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432421120 948382383 /nfs/dbraw/zinc/38/23/83/948382383.db2.gz NUSRCKUKTPWPNJ-LSDHHAIUSA-N 2 2 353.576 3.901 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432421120 948382388 /nfs/dbraw/zinc/38/23/88/948382388.db2.gz NUSRCKUKTPWPNJ-LSDHHAIUSA-N 2 2 353.576 3.901 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)s1 ZINC000512113318 948452761 /nfs/dbraw/zinc/45/27/61/948452761.db2.gz HVPRKIRHHQCINA-OAHLLOKOSA-N 2 2 366.328 3.744 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069875 948493832 /nfs/dbraw/zinc/49/38/32/948493832.db2.gz BYVPSUYOBIYOFY-JKSUJKDBSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069875 948493839 /nfs/dbraw/zinc/49/38/39/948493839.db2.gz BYVPSUYOBIYOFY-JKSUJKDBSA-N 2 2 370.324 3.929 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2cc1OC ZINC000663677767 948582648 /nfs/dbraw/zinc/58/26/48/948582648.db2.gz DDEQBLXEAAWEGL-SJORKVTESA-N 2 2 355.482 3.704 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c2cc1OC ZINC000663677767 948582654 /nfs/dbraw/zinc/58/26/54/948582654.db2.gz DDEQBLXEAAWEGL-SJORKVTESA-N 2 2 355.482 3.704 20 0 FHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000606582299 948692202 /nfs/dbraw/zinc/69/22/02/948692202.db2.gz JSZYZEXRDFXGTF-HNNXBMFYSA-N 2 2 351.454 3.585 20 0 FHADLP c1cn(Cc2ccc(NCc3ccc(Oc4cnccn4)cc3)[nH+]c2)c[nH+]1 ZINC000508455010 514783506 /nfs/dbraw/zinc/78/35/06/514783506.db2.gz WTRQCRHJLIMLKT-UHFFFAOYSA-N 2 2 358.405 3.521 20 0 FHADLP COC(=O)c1cc(-c2ccc(NCCCn3cc[nH+]c3)[nH+]c2)ccc1C ZINC000600792814 520473384 /nfs/dbraw/zinc/47/33/84/520473384.db2.gz GEFBHHJDFAFRRN-UHFFFAOYSA-N 2 2 350.422 3.542 20 0 FHADLP CC[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629707452 522408820 /nfs/dbraw/zinc/40/88/20/522408820.db2.gz LPAZYVCPQOLSFQ-NRFANRHFSA-N 2 2 369.509 3.544 20 0 FHADLP CC[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(NCCOCCO)[nH+]c2)cc1 ZINC000629707452 522408825 /nfs/dbraw/zinc/40/88/25/522408825.db2.gz LPAZYVCPQOLSFQ-NRFANRHFSA-N 2 2 369.509 3.544 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000275351990 527512415 /nfs/dbraw/zinc/51/24/15/527512415.db2.gz ACEJMTIXPJDNHO-UTKZUKDTSA-N 2 2 355.482 3.751 20 0 FHADLP c1csc(Cn2cccc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000161688314 567959949 /nfs/dbraw/zinc/95/99/49/567959949.db2.gz AVEKNGPYBNCLMP-UHFFFAOYSA-N 2 2 366.534 3.747 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]1 ZINC000602583060 567993961 /nfs/dbraw/zinc/99/39/61/567993961.db2.gz OVEZHGFOIZQQNW-HXUWFJFHSA-N 2 2 366.465 3.536 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000162309469 567997705 /nfs/dbraw/zinc/99/77/05/567997705.db2.gz WSJTUYBKVILDCM-GUXCAODWSA-N 2 2 357.473 3.791 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1F ZINC000162309469 567997706 /nfs/dbraw/zinc/99/77/06/567997706.db2.gz WSJTUYBKVILDCM-GUXCAODWSA-N 2 2 357.473 3.791 20 0 FHADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242032 568241840 /nfs/dbraw/zinc/24/18/40/568241840.db2.gz RTEGDLVZBVLFOH-HKUYNNGSSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242032 568241841 /nfs/dbraw/zinc/24/18/41/568241841.db2.gz RTEGDLVZBVLFOH-HKUYNNGSSA-N 2 2 372.538 3.642 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135506 568267858 /nfs/dbraw/zinc/26/78/58/568267858.db2.gz LVVVSNBINSANDF-CVEARBPZSA-N 2 2 352.906 3.569 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135506 568267859 /nfs/dbraw/zinc/26/78/59/568267859.db2.gz LVVVSNBINSANDF-CVEARBPZSA-N 2 2 352.906 3.569 20 0 FHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251879 568352500 /nfs/dbraw/zinc/35/25/00/568352500.db2.gz PAMJTUINODKDKC-QAPCUYQASA-N 2 2 356.432 3.682 20 0 FHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251879 568352501 /nfs/dbraw/zinc/35/25/01/568352501.db2.gz PAMJTUINODKDKC-QAPCUYQASA-N 2 2 356.432 3.682 20 0 FHADLP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc(C2CC2)[nH+]1 ZINC000604756948 568365103 /nfs/dbraw/zinc/36/51/03/568365103.db2.gz MEBZLJSHUDSARY-INIZCTEOSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc(C2CC2)[nH+]1 ZINC000604756948 568365104 /nfs/dbraw/zinc/36/51/04/568365104.db2.gz MEBZLJSHUDSARY-INIZCTEOSA-N 2 2 350.510 3.928 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365253187 568369351 /nfs/dbraw/zinc/36/93/51/568369351.db2.gz NMZNDEQHIJHDOA-GOSISDBHSA-N 2 2 366.465 3.966 20 0 FHADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313603 568484577 /nfs/dbraw/zinc/48/45/77/568484577.db2.gz CHCUMMJPECKCAV-SFTDATJTSA-N 2 2 357.542 3.717 20 0 FHADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313603 568484578 /nfs/dbraw/zinc/48/45/78/568484578.db2.gz CHCUMMJPECKCAV-SFTDATJTSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313603 568484580 /nfs/dbraw/zinc/48/45/80/568484580.db2.gz CHCUMMJPECKCAV-SFTDATJTSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313603 568484582 /nfs/dbraw/zinc/48/45/82/568484582.db2.gz CHCUMMJPECKCAV-SFTDATJTSA-N 2 2 357.542 3.717 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000605095086 568562960 /nfs/dbraw/zinc/56/29/60/568562960.db2.gz WFKDSNIGWZSZLL-GOSISDBHSA-N 2 2 374.488 3.828 20 0 FHADLP Cc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000605124059 568578993 /nfs/dbraw/zinc/57/89/93/568578993.db2.gz XNEIUEWHCXIENL-QFIPXVFZSA-N 2 2 374.488 3.748 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000182055125 568711998 /nfs/dbraw/zinc/71/19/98/568711998.db2.gz AIGSVHWAPXJQNK-DVWBAYGPSA-N 2 2 355.526 3.544 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261792957 571024334 /nfs/dbraw/zinc/02/43/34/571024334.db2.gz NQSUKKFZKDXHIS-HXUWFJFHSA-N 2 2 364.493 3.794 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261792957 571024340 /nfs/dbraw/zinc/02/43/40/571024340.db2.gz NQSUKKFZKDXHIS-HXUWFJFHSA-N 2 2 364.493 3.794 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000328632421 571129500 /nfs/dbraw/zinc/12/95/00/571129500.db2.gz RTYUQQXEEJGYFE-SJLPKXTDSA-N 2 2 356.432 3.771 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328636810 571325579 /nfs/dbraw/zinc/32/55/79/571325579.db2.gz OGIIUOZCTJVIMB-XJABCFGWSA-N 2 2 353.510 3.694 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328636810 571325580 /nfs/dbraw/zinc/32/55/80/571325580.db2.gz OGIIUOZCTJVIMB-XJABCFGWSA-N 2 2 353.510 3.694 20 0 FHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC000328656383 571326223 /nfs/dbraw/zinc/32/62/23/571326223.db2.gz ZHAKHCMXOVJJNQ-KRWDZBQOSA-N 2 2 367.522 3.506 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC000328656383 571326224 /nfs/dbraw/zinc/32/62/24/571326224.db2.gz ZHAKHCMXOVJJNQ-KRWDZBQOSA-N 2 2 367.522 3.506 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1C ZINC001164679376 719526923 /nfs/dbraw/zinc/52/69/23/719526923.db2.gz YZRFAEOMNLZHNP-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1C ZINC001164679376 719526932 /nfs/dbraw/zinc/52/69/32/719526932.db2.gz YZRFAEOMNLZHNP-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP COc1ccc(C)[nH+]c1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164694374 719808222 /nfs/dbraw/zinc/80/82/22/719808222.db2.gz WJQHDTXBDZBWTC-UHFFFAOYSA-N 2 2 372.538 3.799 20 0 FHADLP COc1ccc(C)[nH+]c1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694374 719808224 /nfs/dbraw/zinc/80/82/24/719808224.db2.gz WJQHDTXBDZBWTC-UHFFFAOYSA-N 2 2 372.538 3.799 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028123 721815631 /nfs/dbraw/zinc/81/56/31/721815631.db2.gz WEWKQUHKIKBWGW-QRFRQXIXSA-N 2 2 354.473 3.661 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028123 721815633 /nfs/dbraw/zinc/81/56/33/721815633.db2.gz WEWKQUHKIKBWGW-QRFRQXIXSA-N 2 2 354.473 3.661 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164995505 722197073 /nfs/dbraw/zinc/19/70/73/722197073.db2.gz VFOIWJFADOBHNI-JOCHJYFZSA-N 2 2 351.469 3.954 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164995505 722197074 /nfs/dbraw/zinc/19/70/74/722197074.db2.gz VFOIWJFADOBHNI-JOCHJYFZSA-N 2 2 351.469 3.954 20 0 FHADLP Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2c([nH+]1)CCC2 ZINC001164993759 722206111 /nfs/dbraw/zinc/20/61/11/722206111.db2.gz AQDRCYJBIXQKTI-QFIPXVFZSA-N 2 2 366.484 3.658 20 0 FHADLP Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2c([nH+]1)CCC2 ZINC001164993759 722206114 /nfs/dbraw/zinc/20/61/14/722206114.db2.gz AQDRCYJBIXQKTI-QFIPXVFZSA-N 2 2 366.484 3.658 20 0 FHADLP Cc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C)c(C)[nH+]1 ZINC001164995552 722211024 /nfs/dbraw/zinc/21/10/24/722211024.db2.gz JQIBHGDQRRFPJN-NRFANRHFSA-N 2 2 354.473 3.786 20 0 FHADLP Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C)c(C)[nH+]1 ZINC001164995552 722211026 /nfs/dbraw/zinc/21/10/26/722211026.db2.gz JQIBHGDQRRFPJN-NRFANRHFSA-N 2 2 354.473 3.786 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162574939 937183155 /nfs/dbraw/zinc/18/31/55/937183155.db2.gz KJEXRTGTWDMPSL-SFHVURJKSA-N 3 2 364.493 3.664 20 0 FHADLP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000430248419 928537566 /nfs/dbraw/zinc/53/75/66/928537566.db2.gz ZMLYDBLPIATOSC-LJQANCHMSA-N 2 2 366.509 3.603 20 0 FHADLP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000430248419 928537576 /nfs/dbraw/zinc/53/75/76/928537576.db2.gz ZMLYDBLPIATOSC-LJQANCHMSA-N 2 2 366.509 3.603 20 0 FHADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583235138 937265525 /nfs/dbraw/zinc/26/55/25/937265525.db2.gz YHPIOIOCZMQMNN-QMTHXVAHSA-N 2 2 366.690 3.960 20 0 FHADLP Brc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000036932233 928801702 /nfs/dbraw/zinc/80/17/02/928801702.db2.gz KOQHRCIGDDEQSR-UHFFFAOYSA-N 2 2 352.301 3.664 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547737349 929124652 /nfs/dbraw/zinc/12/46/52/929124652.db2.gz MZSMTKAWYBROHG-QGZVFWFLSA-N 2 2 363.571 3.608 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547737349 929124657 /nfs/dbraw/zinc/12/46/57/929124657.db2.gz MZSMTKAWYBROHG-QGZVFWFLSA-N 2 2 363.571 3.608 20 0 FHADLP CC[N@H+](C[C@@H](O)c1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108868 929319865 /nfs/dbraw/zinc/31/98/65/929319865.db2.gz ASINUGOMLRUQEM-OAQYLSRUSA-N 2 2 353.510 3.662 20 0 FHADLP CC[N@@H+](C[C@@H](O)c1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108868 929319872 /nfs/dbraw/zinc/31/98/72/929319872.db2.gz ASINUGOMLRUQEM-OAQYLSRUSA-N 2 2 353.510 3.662 20 0 FHADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180212071 929420000 /nfs/dbraw/zinc/42/00/00/929420000.db2.gz FMAYUBJIQMSOMF-NRFANRHFSA-N 2 2 358.913 3.866 20 0 FHADLP c1ccc(CC[NH+]2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000162853522 937335847 /nfs/dbraw/zinc/33/58/47/937335847.db2.gz KBXIXLKNLXIUGZ-UHFFFAOYSA-N 3 2 352.526 3.570 20 0 FHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750604 937336102 /nfs/dbraw/zinc/33/61/02/937336102.db2.gz JRVDJJKSXFSZFZ-OAHLLOKOSA-N 2 2 362.823 3.702 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)CC3 ZINC000123226339 929939960 /nfs/dbraw/zinc/93/99/60/929939960.db2.gz JSHFSDCMAZOKHH-JKSUJKDBSA-N 2 2 353.510 3.640 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)CC3 ZINC000123226339 929939962 /nfs/dbraw/zinc/93/99/62/929939962.db2.gz JSHFSDCMAZOKHH-JKSUJKDBSA-N 2 2 353.510 3.640 20 0 FHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125031405 930563364 /nfs/dbraw/zinc/56/33/64/930563364.db2.gz IZFJSTPXZBXBJG-SFHVURJKSA-N 2 2 362.477 3.572 20 0 FHADLP CC(C)c1ccc(NC(=S)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050254775 930737668 /nfs/dbraw/zinc/73/76/68/930737668.db2.gz NZGVQVGJZFUYQJ-UHFFFAOYSA-N 2 2 374.598 3.655 20 0 FHADLP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000684026360 931012720 /nfs/dbraw/zinc/01/27/20/931012720.db2.gz ZABMTSLMOCRFAN-QFBILLFUSA-N 2 2 356.466 3.921 20 0 FHADLP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000684026360 931012726 /nfs/dbraw/zinc/01/27/26/931012726.db2.gz ZABMTSLMOCRFAN-QFBILLFUSA-N 2 2 356.466 3.921 20 0 FHADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000375635724 931166106 /nfs/dbraw/zinc/16/61/06/931166106.db2.gz QUYOFICKLXBGHH-RLLQIKCJSA-N 2 2 366.509 3.704 20 0 FHADLP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCC[NH2+]1 ZINC000580827753 931235024 /nfs/dbraw/zinc/23/50/24/931235024.db2.gz JRWDVQBWJQCJPB-LAUBAEHRSA-N 2 2 361.493 3.555 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000684113369 931356175 /nfs/dbraw/zinc/35/61/75/931356175.db2.gz CCJNMNWCHSNZNI-AABGKKOBSA-N 2 2 363.509 3.753 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000581038508 931513303 /nfs/dbraw/zinc/51/33/03/931513303.db2.gz MKVSCOSUPFONOZ-AZUAARDMSA-N 2 2 362.521 3.882 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000581038508 931513307 /nfs/dbraw/zinc/51/33/07/931513307.db2.gz MKVSCOSUPFONOZ-AZUAARDMSA-N 2 2 362.521 3.882 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000430550164 931799205 /nfs/dbraw/zinc/79/92/05/931799205.db2.gz JSFWDVVZRRMHFA-NHCUHLMSSA-N 2 2 373.928 3.509 20 0 FHADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157087631 931829519 /nfs/dbraw/zinc/82/95/19/931829519.db2.gz PTXVECXKEFLNEH-NRFANRHFSA-N 2 2 357.542 3.523 20 0 FHADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157087631 931829522 /nfs/dbraw/zinc/82/95/22/931829522.db2.gz PTXVECXKEFLNEH-NRFANRHFSA-N 2 2 357.542 3.523 20 0 FHADLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)C1(F)F ZINC000625653460 932373170 /nfs/dbraw/zinc/37/31/70/932373170.db2.gz QZOPVESCCBPMKE-ZIFCJYIRSA-N 2 2 352.469 3.501 20 0 FHADLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)C1(F)F ZINC000625653460 932373174 /nfs/dbraw/zinc/37/31/74/932373174.db2.gz QZOPVESCCBPMKE-ZIFCJYIRSA-N 2 2 352.469 3.501 20 0 FHADLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)C1(F)F ZINC000625653460 932373176 /nfs/dbraw/zinc/37/31/76/932373176.db2.gz QZOPVESCCBPMKE-ZIFCJYIRSA-N 2 2 352.469 3.501 20 0 FHADLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)C1(F)F ZINC000625653460 932373180 /nfs/dbraw/zinc/37/31/80/932373180.db2.gz QZOPVESCCBPMKE-ZIFCJYIRSA-N 2 2 352.469 3.501 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000581647160 932380834 /nfs/dbraw/zinc/38/08/34/932380834.db2.gz DXBLLVUVJIBDHA-IIZPIQPGSA-N 2 2 366.505 3.514 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000581647160 932380841 /nfs/dbraw/zinc/38/08/41/932380841.db2.gz DXBLLVUVJIBDHA-IIZPIQPGSA-N 2 2 366.505 3.514 20 0 FHADLP Cc1cn2nc(Nc3ccc([NH+]4CCC(C[NH+](C)C)CC4)cc3)sc2n1 ZINC000077992370 932494226 /nfs/dbraw/zinc/49/42/26/932494226.db2.gz GXHIPUFUBGUYQU-UHFFFAOYSA-N 2 2 370.526 3.621 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000510471094 932801434 /nfs/dbraw/zinc/80/14/34/932801434.db2.gz KBNDETQEIASANQ-AZUAARDMSA-N 2 2 374.488 3.746 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000510471094 932801437 /nfs/dbraw/zinc/80/14/37/932801437.db2.gz KBNDETQEIASANQ-AZUAARDMSA-N 2 2 374.488 3.746 20 0 FHADLP CC(C)(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836079 933084266 /nfs/dbraw/zinc/08/42/66/933084266.db2.gz HRUWGVYPQPVFBT-ZWKOTPCHSA-N 2 2 356.514 3.539 20 0 FHADLP CC(C)(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836079 933084272 /nfs/dbraw/zinc/08/42/72/933084272.db2.gz HRUWGVYPQPVFBT-ZWKOTPCHSA-N 2 2 356.514 3.539 20 0 FHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000510539254 933200747 /nfs/dbraw/zinc/20/07/47/933200747.db2.gz MLUDXDQOUHMIKP-UTKZUKDTSA-N 2 2 362.477 3.602 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510667373 933384020 /nfs/dbraw/zinc/38/40/20/933384020.db2.gz RCYHXZIFHKXLRH-OAHLLOKOSA-N 2 2 354.485 3.765 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510694561 933440082 /nfs/dbraw/zinc/44/00/82/933440082.db2.gz JAVHCOBGEJIIRX-QFIPXVFZSA-N 2 2 356.485 3.924 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)cn1 ZINC000276927527 934023641 /nfs/dbraw/zinc/02/36/41/934023641.db2.gz NSAZGECOWNGNGT-HZSPNIEDSA-N 2 2 352.442 3.560 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cn1 ZINC000276927527 934023651 /nfs/dbraw/zinc/02/36/51/934023651.db2.gz NSAZGECOWNGNGT-HZSPNIEDSA-N 2 2 352.442 3.560 20 0 FHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000092564196 934094404 /nfs/dbraw/zinc/09/44/04/934094404.db2.gz LHKOGHZMRWMVOF-UHFFFAOYSA-N 2 2 355.482 3.862 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC000891941575 934121285 /nfs/dbraw/zinc/12/12/85/934121285.db2.gz ATZBDZHCPRETPO-PXNSSMCTSA-N 2 2 358.530 3.528 20 0 FHADLP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(OC(F)F)cc1C ZINC000535805504 934411055 /nfs/dbraw/zinc/41/10/55/934411055.db2.gz BAGMQIKUJDXQGS-YQVWRLOYSA-N 2 2 368.468 3.588 20 0 FHADLP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(OC(F)F)cc1C ZINC000535805504 934411059 /nfs/dbraw/zinc/41/10/59/934411059.db2.gz BAGMQIKUJDXQGS-YQVWRLOYSA-N 2 2 368.468 3.588 20 0 FHADLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610799092 934442898 /nfs/dbraw/zinc/44/28/98/934442898.db2.gz GXQLSPGDCOQQSC-IUODEOHRSA-N 2 2 369.250 3.617 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000277126732 934538284 /nfs/dbraw/zinc/53/82/84/934538284.db2.gz RRVWAFXCAOKRLM-CQSZACIVSA-N 2 2 351.520 3.555 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000277126732 934538288 /nfs/dbraw/zinc/53/82/88/934538288.db2.gz RRVWAFXCAOKRLM-CQSZACIVSA-N 2 2 351.520 3.555 20 0 FHADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000684613399 934550814 /nfs/dbraw/zinc/55/08/14/934550814.db2.gz QROFXQJQHXWWSR-MRXNPFEDSA-N 2 2 370.368 3.638 20 0 FHADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000684613399 934550815 /nfs/dbraw/zinc/55/08/15/934550815.db2.gz QROFXQJQHXWWSR-MRXNPFEDSA-N 2 2 370.368 3.638 20 0 FHADLP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000657297543 935007573 /nfs/dbraw/zinc/00/75/73/935007573.db2.gz JUMITORPXRELLA-UHFFFAOYSA-N 2 2 374.326 3.691 20 0 FHADLP Cc1c(Br)cncc1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000657297543 935007577 /nfs/dbraw/zinc/00/75/77/935007577.db2.gz JUMITORPXRELLA-UHFFFAOYSA-N 2 2 374.326 3.691 20 0 FHADLP c1cnc(Oc2ccc(C[NH+]3CCC([NH2+]C4CCCC4)CC3)cc2)cn1 ZINC000367417993 935047247 /nfs/dbraw/zinc/04/72/47/935047247.db2.gz DCEPZWRYSGOWKX-UHFFFAOYSA-N 2 2 352.482 3.766 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311700 935106080 /nfs/dbraw/zinc/10/60/80/935106080.db2.gz RVYLBGLHJFOPGG-QGZVFWFLSA-N 2 2 353.514 3.667 20 0 FHADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311700 935106084 /nfs/dbraw/zinc/10/60/84/935106084.db2.gz RVYLBGLHJFOPGG-QGZVFWFLSA-N 2 2 353.514 3.667 20 0 FHADLP CCOc1c(Cl)cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1OC ZINC000657316276 935167052 /nfs/dbraw/zinc/16/70/52/935167052.db2.gz IPJJJOMQEITNSU-UHFFFAOYSA-N 2 2 372.856 3.618 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463355 935221146 /nfs/dbraw/zinc/22/11/46/935221146.db2.gz LMDVRQIYVVPRLO-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463355 935221150 /nfs/dbraw/zinc/22/11/50/935221150.db2.gz LMDVRQIYVVPRLO-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(C2(C[NH2+]Cc3c[nH+]c(C)n3C)CCCCC2)cc1OC ZINC000657360870 935359091 /nfs/dbraw/zinc/35/90/91/935359091.db2.gz ATMVNSHFQVQDSD-UHFFFAOYSA-N 2 2 357.498 3.737 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123960 945101278 /nfs/dbraw/zinc/10/12/78/945101278.db2.gz MIIKSVDEFMWZTO-QUCCMNQESA-N 2 2 370.468 3.597 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123960 945101284 /nfs/dbraw/zinc/10/12/84/945101284.db2.gz MIIKSVDEFMWZTO-QUCCMNQESA-N 2 2 370.468 3.597 20 0 FHADLP CN1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132695329 935632370 /nfs/dbraw/zinc/63/23/70/935632370.db2.gz RAHKUNIFLPOAOJ-RTWAWAEBSA-N 2 2 368.431 3.686 20 0 FHADLP C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582428262 935690274 /nfs/dbraw/zinc/69/02/74/935690274.db2.gz FTNSHNOVTUENNK-OLZOCXBDSA-N 2 2 357.458 3.628 20 0 FHADLP C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582428262 935690276 /nfs/dbraw/zinc/69/02/76/935690276.db2.gz FTNSHNOVTUENNK-OLZOCXBDSA-N 2 2 357.458 3.628 20 0 FHADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582428263 935690549 /nfs/dbraw/zinc/69/05/49/935690549.db2.gz FTNSHNOVTUENNK-QWHCGFSZSA-N 2 2 357.458 3.628 20 0 FHADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582428263 935690551 /nfs/dbraw/zinc/69/05/51/935690551.db2.gz FTNSHNOVTUENNK-QWHCGFSZSA-N 2 2 357.458 3.628 20 0 FHADLP c1cc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)n(-c2cc[nH+]cc2)n1 ZINC000657430584 935715653 /nfs/dbraw/zinc/71/56/53/935715653.db2.gz RLSWUAQYOJXRCZ-HXUWFJFHSA-N 2 2 362.481 3.746 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582443714 935715678 /nfs/dbraw/zinc/71/56/78/935715678.db2.gz BIEHMTIVECDZQN-PMACEKPBSA-N 2 2 363.590 3.752 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582443714 935715680 /nfs/dbraw/zinc/71/56/80/935715680.db2.gz BIEHMTIVECDZQN-PMACEKPBSA-N 2 2 363.590 3.752 20 0 FHADLP COCc1ccccc1/C=C(/C)C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000511152419 935806861 /nfs/dbraw/zinc/80/68/61/935806861.db2.gz JDSKWMYIKISFGB-JXAWBTAJSA-N 2 2 360.542 3.715 20 0 FHADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000091333512 935874863 /nfs/dbraw/zinc/87/48/63/935874863.db2.gz ZRBTZYRDCVFZDL-FGTMMUONSA-N 2 2 354.416 3.609 20 0 FHADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000091333512 935874866 /nfs/dbraw/zinc/87/48/66/935874866.db2.gz ZRBTZYRDCVFZDL-FGTMMUONSA-N 2 2 354.416 3.609 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000152912284 935899536 /nfs/dbraw/zinc/89/95/36/935899536.db2.gz ZUCSYEOLIKBPDO-SFHVURJKSA-N 2 2 365.424 3.647 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000152912284 935899541 /nfs/dbraw/zinc/89/95/41/935899541.db2.gz ZUCSYEOLIKBPDO-SFHVURJKSA-N 2 2 365.424 3.647 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000130660518 935903809 /nfs/dbraw/zinc/90/38/09/935903809.db2.gz NTYIGZAEOKKOOF-QAPCUYQASA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000130660518 935903812 /nfs/dbraw/zinc/90/38/12/935903812.db2.gz NTYIGZAEOKKOOF-QAPCUYQASA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660518 935903815 /nfs/dbraw/zinc/90/38/15/935903815.db2.gz NTYIGZAEOKKOOF-QAPCUYQASA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660518 935903817 /nfs/dbraw/zinc/90/38/17/935903817.db2.gz NTYIGZAEOKKOOF-QAPCUYQASA-N 2 2 352.482 3.748 20 0 FHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c2ccccc2C1 ZINC000582719647 935983541 /nfs/dbraw/zinc/98/35/41/935983541.db2.gz AHGXDPAYAVSCML-DHIUTWEWSA-N 2 2 365.521 3.893 20 0 FHADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c2ccccc2C1 ZINC000582719649 935983609 /nfs/dbraw/zinc/98/36/09/935983609.db2.gz AHGXDPAYAVSCML-GOTSBHOMSA-N 2 2 365.521 3.893 20 0 FHADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582754099 936077964 /nfs/dbraw/zinc/07/79/64/936077964.db2.gz LAXOLKCNHINATD-HKUYNNGSSA-N 2 2 352.869 3.889 20 0 FHADLP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000511797526 945145328 /nfs/dbraw/zinc/14/53/28/945145328.db2.gz NRBZJNVPPYMGHL-UHFFFAOYSA-N 2 2 355.320 3.669 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(CSC(F)F)o2)cn1 ZINC000121176414 936297887 /nfs/dbraw/zinc/29/78/87/936297887.db2.gz ISOWDHMQJGJGCC-UHFFFAOYSA-N 2 2 364.421 3.914 20 0 FHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H]1c1ccccc1 ZINC000583455070 938259822 /nfs/dbraw/zinc/25/98/22/938259822.db2.gz MMMWJESUYSRBSB-XZOQPEGZSA-N 2 2 360.505 3.857 20 0 FHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H]1c1ccccc1 ZINC000583455070 938259824 /nfs/dbraw/zinc/25/98/24/938259824.db2.gz MMMWJESUYSRBSB-XZOQPEGZSA-N 2 2 360.505 3.857 20 0 FHADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514205 938288513 /nfs/dbraw/zinc/28/85/13/938288513.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 2 363.549 3.858 20 0 FHADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514205 938288515 /nfs/dbraw/zinc/28/85/15/938288515.db2.gz NHZNFBNHCCKTKG-CTUHWIOQSA-N 2 2 363.549 3.858 20 0 FHADLP c1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn2c1CCCC2 ZINC000657771973 938309320 /nfs/dbraw/zinc/30/93/20/938309320.db2.gz IEIOAWZLUCESCB-HXUWFJFHSA-N 2 2 364.537 3.611 20 0 FHADLP c1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn2c1CCCC2 ZINC000657771973 938309321 /nfs/dbraw/zinc/30/93/21/938309321.db2.gz IEIOAWZLUCESCB-HXUWFJFHSA-N 2 2 364.537 3.611 20 0 FHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583722139 938378202 /nfs/dbraw/zinc/37/82/02/938378202.db2.gz IYKZGAFXNANSRM-VIVNAEHYSA-N 2 2 368.468 3.780 20 0 FHADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583832296 938437508 /nfs/dbraw/zinc/43/75/08/938437508.db2.gz XPNNFWSVUKITFS-MRXNPFEDSA-N 2 2 366.440 3.577 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000566767140 938478130 /nfs/dbraw/zinc/47/81/30/938478130.db2.gz YMYOCDZFDXVOIO-NSHDSACASA-N 2 2 365.237 3.899 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)ccc2Br)C1 ZINC000566767140 938478132 /nfs/dbraw/zinc/47/81/32/938478132.db2.gz YMYOCDZFDXVOIO-NSHDSACASA-N 2 2 365.237 3.899 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151323753 938527617 /nfs/dbraw/zinc/52/76/17/938527617.db2.gz CSLKNNUUKFWWBV-HXUWFJFHSA-N 2 2 363.461 3.944 20 0 FHADLP COc1cc(F)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1OC ZINC000584057868 938575101 /nfs/dbraw/zinc/57/51/01/938575101.db2.gz YIJOOTUQNGIFEJ-UHFFFAOYSA-N 2 2 361.461 3.732 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584113192 938605725 /nfs/dbraw/zinc/60/57/25/938605725.db2.gz FOLFHYPFUZZWRB-OAQYLSRUSA-N 2 2 364.537 3.925 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(C2CC2)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584113192 938605727 /nfs/dbraw/zinc/60/57/27/938605727.db2.gz FOLFHYPFUZZWRB-OAQYLSRUSA-N 2 2 364.537 3.925 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)Cn1cc(Br)cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691537 938632373 /nfs/dbraw/zinc/63/23/73/938632373.db2.gz UTOFGTKRXOZSDT-UONOGXRCSA-N 2 2 374.286 3.571 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961175 938710495 /nfs/dbraw/zinc/71/04/95/938710495.db2.gz OJFAERBQZZAMAN-AWEZNQCLSA-N 2 2 353.422 3.712 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961175 938710499 /nfs/dbraw/zinc/71/04/99/938710499.db2.gz OJFAERBQZZAMAN-AWEZNQCLSA-N 2 2 353.422 3.712 20 0 FHADLP Cn1c[nH+]cc1CCCSCCCCSCCCc1c[nH+]cn1C ZINC000518218348 945205310 /nfs/dbraw/zinc/20/53/10/945205310.db2.gz HLYWSIFIXIXLBV-UHFFFAOYSA-N 2 2 366.600 3.966 20 0 FHADLP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090805935 938882735 /nfs/dbraw/zinc/88/27/35/938882735.db2.gz LJFVWNWEZWTPQC-GHTZIAJQSA-N 2 2 351.494 3.808 20 0 FHADLP CCc1ccc([C@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000090844467 938883556 /nfs/dbraw/zinc/88/35/56/938883556.db2.gz NZGMJTLWPAMKSF-QHCPKHFHSA-N 2 2 352.522 3.579 20 0 FHADLP CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092071757 938910526 /nfs/dbraw/zinc/91/05/26/938910526.db2.gz WHYYMUASXAMDNY-CQSZACIVSA-N 2 2 351.397 3.789 20 0 FHADLP CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092071757 938910527 /nfs/dbraw/zinc/91/05/27/938910527.db2.gz WHYYMUASXAMDNY-CQSZACIVSA-N 2 2 351.397 3.789 20 0 FHADLP CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818795 938930617 /nfs/dbraw/zinc/93/06/17/938930617.db2.gz LJHPRVJTXLDZLX-GOSISDBHSA-N 2 2 358.555 3.553 20 0 FHADLP CC[N@H+](Cc1cnc(N(C)C)s1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818795 938930618 /nfs/dbraw/zinc/93/06/18/938930618.db2.gz LJHPRVJTXLDZLX-GOSISDBHSA-N 2 2 358.555 3.553 20 0 FHADLP CC[NH+](Cc1cnc(N(C)C)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818795 938930620 /nfs/dbraw/zinc/93/06/20/938930620.db2.gz LJHPRVJTXLDZLX-GOSISDBHSA-N 2 2 358.555 3.553 20 0 FHADLP CC[NH+](Cc1cnc(N(C)C)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818795 938930622 /nfs/dbraw/zinc/93/06/22/938930622.db2.gz LJHPRVJTXLDZLX-GOSISDBHSA-N 2 2 358.555 3.553 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1N(C)C ZINC000093944084 938932310 /nfs/dbraw/zinc/93/23/10/938932310.db2.gz CVOCBJFGDFNWKC-SFHVURJKSA-N 2 2 352.526 3.505 20 0 FHADLP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428165 938985339 /nfs/dbraw/zinc/98/53/39/938985339.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 2 372.459 3.547 20 0 FHADLP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428165 938985340 /nfs/dbraw/zinc/98/53/40/938985340.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428165 938985341 /nfs/dbraw/zinc/98/53/41/938985341.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428165 938985342 /nfs/dbraw/zinc/98/53/42/938985342.db2.gz QGOKQXNVQUCERM-PABBZOGXSA-N 2 2 372.459 3.547 20 0 FHADLP C[N@H+](Cc1ccc2occc2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428208 938985501 /nfs/dbraw/zinc/98/55/01/938985501.db2.gz ZPMSGSOSXHYAPO-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[N@@H+](Cc1ccc2occc2c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428208 938985502 /nfs/dbraw/zinc/98/55/02/938985502.db2.gz ZPMSGSOSXHYAPO-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1ccc2occc2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428208 938985503 /nfs/dbraw/zinc/98/55/03/938985503.db2.gz ZPMSGSOSXHYAPO-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1ccc2occc2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428208 938985504 /nfs/dbraw/zinc/98/55/04/938985504.db2.gz ZPMSGSOSXHYAPO-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443040 938986950 /nfs/dbraw/zinc/98/69/50/938986950.db2.gz KDTLBMNOWHHSCG-QFIPXVFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443040 938986951 /nfs/dbraw/zinc/98/69/51/938986951.db2.gz KDTLBMNOWHHSCG-QFIPXVFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443040 938986952 /nfs/dbraw/zinc/98/69/52/938986952.db2.gz KDTLBMNOWHHSCG-QFIPXVFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443040 938986953 /nfs/dbraw/zinc/98/69/53/938986953.db2.gz KDTLBMNOWHHSCG-QFIPXVFZSA-N 2 2 352.526 3.805 20 0 FHADLP Cn1nc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443018 938986971 /nfs/dbraw/zinc/98/69/71/938986971.db2.gz ILZPGPMBEDUPGJ-HSZRJFAPSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443018 938986972 /nfs/dbraw/zinc/98/69/72/938986972.db2.gz ILZPGPMBEDUPGJ-HSZRJFAPSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443018 938986973 /nfs/dbraw/zinc/98/69/73/938986973.db2.gz ILZPGPMBEDUPGJ-HSZRJFAPSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443018 938986974 /nfs/dbraw/zinc/98/69/74/938986974.db2.gz ILZPGPMBEDUPGJ-HSZRJFAPSA-N 2 2 360.505 3.671 20 0 FHADLP Oc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000685452201 938987473 /nfs/dbraw/zinc/98/74/73/938987473.db2.gz QVXJYJJMVNWSKB-UHFFFAOYSA-N 2 2 353.853 3.916 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000685470807 938989481 /nfs/dbraw/zinc/98/94/81/938989481.db2.gz RZSBUFGDVSLJFW-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000685470807 938989482 /nfs/dbraw/zinc/98/94/82/938989482.db2.gz RZSBUFGDVSLJFW-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000685470807 938989483 /nfs/dbraw/zinc/98/94/83/938989483.db2.gz RZSBUFGDVSLJFW-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000685470807 938989484 /nfs/dbraw/zinc/98/94/84/938989484.db2.gz RZSBUFGDVSLJFW-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+]C[C@@]3([NH+](C)C)CCSC3)cc2cc1OC ZINC000657898468 938993024 /nfs/dbraw/zinc/99/30/24/938993024.db2.gz OPHBQANZKZUSCZ-VFNWGFHPSA-N 2 2 374.550 3.945 20 0 FHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2oc(C)nc2C)cc1 ZINC000685570501 939001848 /nfs/dbraw/zinc/00/18/48/939001848.db2.gz FBRWIJJZMNMXEQ-UHFFFAOYSA-N 2 2 368.481 3.979 20 0 FHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2oc(C)nc2C)cc1 ZINC000685570501 939001849 /nfs/dbraw/zinc/00/18/49/939001849.db2.gz FBRWIJJZMNMXEQ-UHFFFAOYSA-N 2 2 368.481 3.979 20 0 FHADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(Cl)c1 ZINC000657981604 939015495 /nfs/dbraw/zinc/01/54/95/939015495.db2.gz SCPREDLPNNRLDF-PWSUYJOCSA-N 2 2 354.679 3.965 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2cc1OC ZINC000657981376 939015532 /nfs/dbraw/zinc/01/55/32/939015532.db2.gz QIIIBDFUFDZZCS-RDTXWAMCSA-N 2 2 351.450 3.719 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658054971 939020806 /nfs/dbraw/zinc/02/08/06/939020806.db2.gz GNQAUZRIUMYOTL-YJBOKZPZSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658054971 939020807 /nfs/dbraw/zinc/02/08/07/939020807.db2.gz GNQAUZRIUMYOTL-YJBOKZPZSA-N 2 2 365.949 3.539 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090133 939022293 /nfs/dbraw/zinc/02/22/93/939022293.db2.gz DPVQFYWVURIABH-DZGCQCFKSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090133 939022294 /nfs/dbraw/zinc/02/22/94/939022294.db2.gz DPVQFYWVURIABH-DZGCQCFKSA-N 2 2 367.921 3.528 20 0 FHADLP CCn1cc(C[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)nn1 ZINC000658175363 939058288 /nfs/dbraw/zinc/05/82/88/939058288.db2.gz BYRGRVAMMANPHE-OAQYLSRUSA-N 2 2 373.520 3.780 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC000658225483 939072430 /nfs/dbraw/zinc/07/24/30/939072430.db2.gz TWSWZGXZYBTYIM-CEXWTWQISA-N 2 2 369.484 3.620 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1F ZINC000658225483 939072435 /nfs/dbraw/zinc/07/24/35/939072435.db2.gz TWSWZGXZYBTYIM-CEXWTWQISA-N 2 2 369.484 3.620 20 0 FHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294685 939101209 /nfs/dbraw/zinc/10/12/09/939101209.db2.gz OUUIJQBGJIETMS-LKWVEDRQSA-N 2 2 372.553 3.806 20 0 FHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658297007 939102209 /nfs/dbraw/zinc/10/22/09/939102209.db2.gz XIOODTGOLKWMKO-HKUYNNGSSA-N 2 2 370.459 3.869 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449253 945243412 /nfs/dbraw/zinc/24/34/12/945243412.db2.gz MROURTKUXGGYCY-KUHUBIRLSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449253 945243419 /nfs/dbraw/zinc/24/34/19/945243419.db2.gz MROURTKUXGGYCY-KUHUBIRLSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801726 939916074 /nfs/dbraw/zinc/91/60/74/939916074.db2.gz NCTYCNUVFONBLF-GSEOLPGOSA-N 2 2 360.546 3.510 20 0 FHADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801726 939916075 /nfs/dbraw/zinc/91/60/75/939916075.db2.gz NCTYCNUVFONBLF-GSEOLPGOSA-N 2 2 360.546 3.510 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831505 939952655 /nfs/dbraw/zinc/95/26/55/939952655.db2.gz UDVIKGYKDHJHCF-WTOJCKNJSA-N 2 2 366.431 3.571 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831505 939952659 /nfs/dbraw/zinc/95/26/59/939952659.db2.gz UDVIKGYKDHJHCF-WTOJCKNJSA-N 2 2 366.431 3.571 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000375837542 939959722 /nfs/dbraw/zinc/95/97/22/939959722.db2.gz GTVCJWLQXLYDAF-KSSFIOAISA-N 2 2 357.498 3.615 20 0 FHADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000569900896 940030470 /nfs/dbraw/zinc/03/04/70/940030470.db2.gz IHLNHOWHEPXAJA-YPAWHYETSA-N 2 2 352.526 3.997 20 0 FHADLP CC(C)n1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000569900896 940030472 /nfs/dbraw/zinc/03/04/72/940030472.db2.gz IHLNHOWHEPXAJA-YPAWHYETSA-N 2 2 352.526 3.997 20 0 FHADLP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c2n1CCCC2 ZINC000376164088 940397058 /nfs/dbraw/zinc/39/70/58/940397058.db2.gz DBVXFECRIGXMFL-DKUWSORSSA-N 3 2 364.537 3.547 20 0 FHADLP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c2n1CCCC2 ZINC000376164088 940397061 /nfs/dbraw/zinc/39/70/61/940397061.db2.gz DBVXFECRIGXMFL-DKUWSORSSA-N 3 2 364.537 3.547 20 0 FHADLP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c2n1CCCC2 ZINC000376164090 940397191 /nfs/dbraw/zinc/39/71/91/940397191.db2.gz DBVXFECRIGXMFL-KOUNCHBCSA-N 3 2 364.537 3.547 20 0 FHADLP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c2n1CCCC2 ZINC000376164090 940397192 /nfs/dbraw/zinc/39/71/92/940397192.db2.gz DBVXFECRIGXMFL-KOUNCHBCSA-N 3 2 364.537 3.547 20 0 FHADLP Cc1cccc2c(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000164444754 945325376 /nfs/dbraw/zinc/32/53/76/945325376.db2.gz SODOACOQHMQXML-AVRDEDQJSA-N 2 2 362.521 3.914 20 0 FHADLP Cc1cccc2c(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000164444754 945325379 /nfs/dbraw/zinc/32/53/79/945325379.db2.gz SODOACOQHMQXML-AVRDEDQJSA-N 2 2 362.521 3.914 20 0 FHADLP C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268951 940504279 /nfs/dbraw/zinc/50/42/79/940504279.db2.gz ZLJGVEAPULEMID-UHFFFAOYSA-N 2 2 374.326 3.941 20 0 FHADLP C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172268951 940504282 /nfs/dbraw/zinc/50/42/82/940504282.db2.gz ZLJGVEAPULEMID-UHFFFAOYSA-N 2 2 374.326 3.941 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127752 940638203 /nfs/dbraw/zinc/63/82/03/940638203.db2.gz SOTRRJMLZDJPRN-NOXFTYBFSA-N 2 2 368.521 3.537 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127752 940638204 /nfs/dbraw/zinc/63/82/04/940638204.db2.gz SOTRRJMLZDJPRN-NOXFTYBFSA-N 2 2 368.521 3.537 20 0 FHADLP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000174295696 940718473 /nfs/dbraw/zinc/71/84/73/940718473.db2.gz OPZLGOCDLBRFEF-GFCCVEGCSA-N 2 2 358.313 3.783 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000414266361 940864213 /nfs/dbraw/zinc/86/42/13/940864213.db2.gz MDLJUQOJZGUHHV-QKYXUNIQSA-N 2 2 359.539 3.639 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000414266361 940864215 /nfs/dbraw/zinc/86/42/15/940864215.db2.gz MDLJUQOJZGUHHV-QKYXUNIQSA-N 2 2 359.539 3.639 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414337663 941002292 /nfs/dbraw/zinc/00/22/92/941002292.db2.gz DTXBNARADSKTTK-VQIMIIECSA-N 2 2 350.441 3.941 20 0 FHADLP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OCC(F)(F)F ZINC000647553633 941074385 /nfs/dbraw/zinc/07/43/85/941074385.db2.gz FQPLWIADAIBNGP-KRWDZBQOSA-N 2 2 372.431 3.791 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000414397104 941094156 /nfs/dbraw/zinc/09/41/56/941094156.db2.gz OHSGNIOWESXLTE-GOSISDBHSA-N 2 2 356.489 3.628 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000414397104 941094158 /nfs/dbraw/zinc/09/41/58/941094158.db2.gz OHSGNIOWESXLTE-GOSISDBHSA-N 2 2 356.489 3.628 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163702491 941094628 /nfs/dbraw/zinc/09/46/28/941094628.db2.gz FYDAKXBPLNJPHK-IBGZPJMESA-N 2 2 368.521 3.638 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000376770582 941428302 /nfs/dbraw/zinc/42/83/02/941428302.db2.gz CBYASAMRMFHJSG-VCBZYWHSSA-N 2 2 374.916 3.700 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000376770582 941428304 /nfs/dbraw/zinc/42/83/04/941428304.db2.gz CBYASAMRMFHJSG-VCBZYWHSSA-N 2 2 374.916 3.700 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000549168068 941573785 /nfs/dbraw/zinc/57/37/85/941573785.db2.gz ZIWKSYQWLYOGKA-QFQXNSOFSA-N 2 2 370.562 3.685 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000549168068 941573789 /nfs/dbraw/zinc/57/37/89/941573789.db2.gz ZIWKSYQWLYOGKA-QFQXNSOFSA-N 2 2 370.562 3.685 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415064996 941577704 /nfs/dbraw/zinc/57/77/04/941577704.db2.gz LYFSRBNPGXAXIX-JXFKEZNVSA-N 2 2 353.510 3.818 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000415062758 941581063 /nfs/dbraw/zinc/58/10/63/941581063.db2.gz GCIQRPNWALCZDQ-OXJNMPFZSA-N 2 2 353.510 3.873 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000163704287 941588189 /nfs/dbraw/zinc/58/81/89/941588189.db2.gz UAZMJSJUUBAAMZ-INIZCTEOSA-N 2 2 358.457 3.517 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)[C@@H]1c1cccnc1 ZINC000377295725 941621899 /nfs/dbraw/zinc/62/18/99/941621899.db2.gz AZSCEIGQEYBDLY-YOEHRIQHSA-N 2 2 367.465 3.913 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(CSC(F)F)o2)[C@@H]1c1cccnc1 ZINC000377295725 941621902 /nfs/dbraw/zinc/62/19/02/941621902.db2.gz AZSCEIGQEYBDLY-YOEHRIQHSA-N 2 2 367.465 3.913 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415136661 941626171 /nfs/dbraw/zinc/62/61/71/941626171.db2.gz XMMCARVDLFMMQE-QAPCUYQASA-N 2 2 359.901 3.731 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415136661 941626174 /nfs/dbraw/zinc/62/61/74/941626174.db2.gz XMMCARVDLFMMQE-QAPCUYQASA-N 2 2 359.901 3.731 20 0 FHADLP Cc1cn2cc(NC(=O)N[C@@H](C[NH+](C)C)c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000549234613 941691332 /nfs/dbraw/zinc/69/13/32/941691332.db2.gz VRYJNBBZXVWLNX-KRWDZBQOSA-N 2 2 371.872 3.721 20 0 FHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000433621459 941789058 /nfs/dbraw/zinc/78/90/58/941789058.db2.gz JATJYTZQEDDLFJ-GOSISDBHSA-N 2 2 371.554 3.525 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892970865 941822513 /nfs/dbraw/zinc/82/25/13/941822513.db2.gz MFRWARYVUQMQIB-UHFFFAOYSA-N 2 2 352.469 3.690 20 0 FHADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c4ccccc34)CC2)c1 ZINC000513418368 941913365 /nfs/dbraw/zinc/91/33/65/941913365.db2.gz BHIGQNCOSYGRNS-UHFFFAOYSA-N 2 2 363.461 3.574 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000377702846 941918502 /nfs/dbraw/zinc/91/85/02/941918502.db2.gz PPMRUQRUCPSRCA-WVBUVRCRSA-N 2 2 367.493 3.587 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000377702846 941918504 /nfs/dbraw/zinc/91/85/04/941918504.db2.gz PPMRUQRUCPSRCA-WVBUVRCRSA-N 2 2 367.493 3.587 20 0 FHADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415595398 941934840 /nfs/dbraw/zinc/93/48/40/941934840.db2.gz KJBCTZBVNVBSBJ-LJQANCHMSA-N 2 2 369.513 3.724 20 0 FHADLP C[C@H](CCCC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415602120 941941182 /nfs/dbraw/zinc/94/11/82/941941182.db2.gz XOYYBAONWPXKOX-OAHLLOKOSA-N 2 2 355.486 3.525 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000377779860 941984160 /nfs/dbraw/zinc/98/41/60/941984160.db2.gz CBDXHCBUDPQHEM-QOWAEHBASA-N 2 2 371.550 3.974 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000377779860 941984165 /nfs/dbraw/zinc/98/41/65/941984165.db2.gz CBDXHCBUDPQHEM-QOWAEHBASA-N 2 2 371.550 3.974 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCCO3)CCC2 ZINC000377832862 942020831 /nfs/dbraw/zinc/02/08/31/942020831.db2.gz VFFLACDLSLTFQN-OAHLLOKOSA-N 2 2 361.873 3.673 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000377961117 942100559 /nfs/dbraw/zinc/10/05/59/942100559.db2.gz RLYNVKMEIAGMMD-KNBMTAEXSA-N 2 2 358.555 3.876 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000377961117 942100564 /nfs/dbraw/zinc/10/05/64/942100564.db2.gz RLYNVKMEIAGMMD-KNBMTAEXSA-N 2 2 358.555 3.876 20 0 FHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000415918090 942142463 /nfs/dbraw/zinc/14/24/63/942142463.db2.gz LBULCGMPZDFMNT-UHFFFAOYSA-N 2 2 369.513 3.717 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000502007093 942166314 /nfs/dbraw/zinc/16/63/14/942166314.db2.gz DYLAEZVGBYOLIH-TZIWHRDSSA-N 2 2 368.525 3.622 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000502007093 942166315 /nfs/dbraw/zinc/16/63/15/942166315.db2.gz DYLAEZVGBYOLIH-TZIWHRDSSA-N 2 2 368.525 3.622 20 0 FHADLP Brc1cc2c(s1)CC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000580321257 942247323 /nfs/dbraw/zinc/24/73/23/942247323.db2.gz YQZMGGZPGYZVCE-GFCCVEGCSA-N 2 2 352.301 3.985 20 0 FHADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420912786 942251638 /nfs/dbraw/zinc/25/16/38/942251638.db2.gz IGJUWSHXRWSOCD-INIZCTEOSA-N 2 2 359.539 3.785 20 0 FHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000420912786 942251641 /nfs/dbraw/zinc/25/16/41/942251641.db2.gz IGJUWSHXRWSOCD-INIZCTEOSA-N 2 2 359.539 3.785 20 0 FHADLP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000420948850 942271035 /nfs/dbraw/zinc/27/10/35/942271035.db2.gz PUQKTBBFACQEKP-UHFFFAOYSA-N 2 2 364.411 3.568 20 0 FHADLP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000420948850 942271038 /nfs/dbraw/zinc/27/10/38/942271038.db2.gz PUQKTBBFACQEKP-UHFFFAOYSA-N 2 2 364.411 3.568 20 0 FHADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050650 942275834 /nfs/dbraw/zinc/27/58/34/942275834.db2.gz DVKPBTBPZHNWQZ-UHFFFAOYSA-N 3 2 361.493 3.616 20 0 FHADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501050650 942275840 /nfs/dbraw/zinc/27/58/40/942275840.db2.gz DVKPBTBPZHNWQZ-UHFFFAOYSA-N 3 2 361.493 3.616 20 0 FHADLP C[NH+]1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000501142586 942327055 /nfs/dbraw/zinc/32/70/55/942327055.db2.gz OIDICNGWDFEQHG-LJQANCHMSA-N 2 2 363.590 3.659 20 0 FHADLP CCn1nc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000502318403 942351319 /nfs/dbraw/zinc/35/13/19/942351319.db2.gz OSZHBFFZJIUZNN-KRWDZBQOSA-N 2 2 363.509 3.969 20 0 FHADLP CCn1nc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000502318403 942351323 /nfs/dbraw/zinc/35/13/23/942351323.db2.gz OSZHBFFZJIUZNN-KRWDZBQOSA-N 2 2 363.509 3.969 20 0 FHADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502315276 942362088 /nfs/dbraw/zinc/36/20/88/942362088.db2.gz IGTYPYMEKHJLOB-QGZVFWFLSA-N 2 2 369.509 3.925 20 0 FHADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OC ZINC000502315276 942362093 /nfs/dbraw/zinc/36/20/93/942362093.db2.gz IGTYPYMEKHJLOB-QGZVFWFLSA-N 2 2 369.509 3.925 20 0 FHADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502344154 942371965 /nfs/dbraw/zinc/37/19/65/942371965.db2.gz UZQIDCHKRRSVBB-INIZCTEOSA-N 2 2 355.482 3.616 20 0 FHADLP COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502344154 942371969 /nfs/dbraw/zinc/37/19/69/942371969.db2.gz UZQIDCHKRRSVBB-INIZCTEOSA-N 2 2 355.482 3.616 20 0 FHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414822670 942422712 /nfs/dbraw/zinc/42/27/12/942422712.db2.gz FEGOBOPFHFWJEG-IBGZPJMESA-N 2 2 350.441 3.520 20 0 FHADLP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000414829805 942479664 /nfs/dbraw/zinc/47/96/64/942479664.db2.gz LGBREIBKVKVYTG-CQSZACIVSA-N 2 2 371.225 3.840 20 0 FHADLP Fc1cc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294914 942598543 /nfs/dbraw/zinc/59/85/43/942598543.db2.gz BMDONDHZHGZFEO-YVEFUNNKSA-N 2 2 361.288 3.896 20 0 FHADLP Fc1cc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294914 942598547 /nfs/dbraw/zinc/59/85/47/942598547.db2.gz BMDONDHZHGZFEO-YVEFUNNKSA-N 2 2 361.288 3.896 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967188 942605361 /nfs/dbraw/zinc/60/53/61/942605361.db2.gz JSPMHJBCYXYYKB-LEWJYISDSA-N 2 2 365.606 3.998 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967188 942605364 /nfs/dbraw/zinc/60/53/64/942605364.db2.gz JSPMHJBCYXYYKB-LEWJYISDSA-N 2 2 365.606 3.998 20 0 FHADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420331002 942631196 /nfs/dbraw/zinc/63/11/96/942631196.db2.gz BGTWIPQUYRBSTF-MLGOLLRUSA-N 2 2 370.324 3.784 20 0 FHADLP Brc1cc2cccnc2c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358957 942637479 /nfs/dbraw/zinc/63/74/79/942637479.db2.gz FJWJWXSPLIIFPV-SFHVURJKSA-N 2 2 360.299 3.573 20 0 FHADLP Brc1cc2cccnc2c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420358957 942637483 /nfs/dbraw/zinc/63/74/83/942637483.db2.gz FJWJWXSPLIIFPV-SFHVURJKSA-N 2 2 360.299 3.573 20 0 FHADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403792 942661689 /nfs/dbraw/zinc/66/16/89/942661689.db2.gz RRUOSHGNIYMXCB-SIKLNZKXSA-N 2 2 363.505 3.756 20 0 FHADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403792 942661696 /nfs/dbraw/zinc/66/16/96/942661696.db2.gz RRUOSHGNIYMXCB-SIKLNZKXSA-N 2 2 363.505 3.756 20 0 FHADLP CC[N@@H+](Cc1cnc2ccccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972896 942695623 /nfs/dbraw/zinc/69/56/23/942695623.db2.gz HGBRKNUNXYFRJE-UHFFFAOYSA-N 2 2 361.493 3.763 20 0 FHADLP CC[N@H+](Cc1cnc2ccccc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000659972896 942695627 /nfs/dbraw/zinc/69/56/27/942695627.db2.gz HGBRKNUNXYFRJE-UHFFFAOYSA-N 2 2 361.493 3.763 20 0 FHADLP Cc1[nH+]ccn1CCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000502724737 942697084 /nfs/dbraw/zinc/69/70/84/942697084.db2.gz GFMYYTWVJRZYOB-UHFFFAOYSA-N 2 2 364.453 3.697 20 0 FHADLP CC(C)CCOC1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000363857098 942864706 /nfs/dbraw/zinc/86/47/06/942864706.db2.gz YQXFUGCJUBTSIU-UHFFFAOYSA-N 2 2 365.587 3.937 20 0 FHADLP CC(C)CCOC1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000363857098 942864709 /nfs/dbraw/zinc/86/47/09/942864709.db2.gz YQXFUGCJUBTSIU-UHFFFAOYSA-N 2 2 365.587 3.937 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503061386 942944246 /nfs/dbraw/zinc/94/42/46/942944246.db2.gz GAWNZELBALZWFF-PZJWPPBQSA-N 2 2 368.525 3.513 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503061386 942944250 /nfs/dbraw/zinc/94/42/50/942944250.db2.gz GAWNZELBALZWFF-PZJWPPBQSA-N 2 2 368.525 3.513 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000513763546 942990742 /nfs/dbraw/zinc/99/07/42/942990742.db2.gz ZCDZFLLAZIXBOH-CQSZACIVSA-N 2 2 355.463 3.630 20 0 FHADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1F ZINC000272311829 943134501 /nfs/dbraw/zinc/13/45/01/943134501.db2.gz TZJIXIXLSDLTDH-OAHLLOKOSA-N 2 2 372.488 3.933 20 0 FHADLP COc1cccc2c1CC[C@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272342785 943140214 /nfs/dbraw/zinc/14/02/14/943140214.db2.gz ZVXDZZGGAKTHCZ-HXUWFJFHSA-N 2 2 366.509 3.720 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408632 943167939 /nfs/dbraw/zinc/16/79/39/943167939.db2.gz UBPBRVANPJHTIT-GUDVDZBRSA-N 2 2 372.557 3.578 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408632 943167941 /nfs/dbraw/zinc/16/79/41/943167941.db2.gz UBPBRVANPJHTIT-GUDVDZBRSA-N 2 2 372.557 3.578 20 0 FHADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411845 943170800 /nfs/dbraw/zinc/17/08/00/943170800.db2.gz QYOMEYNDFPFUCG-IBGZPJMESA-N 2 2 374.573 3.539 20 0 FHADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411845 943170801 /nfs/dbraw/zinc/17/08/01/943170801.db2.gz QYOMEYNDFPFUCG-IBGZPJMESA-N 2 2 374.573 3.539 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000503436982 943184149 /nfs/dbraw/zinc/18/41/49/943184149.db2.gz DVXPEPGGSGXDJF-LJQANCHMSA-N 2 2 351.494 3.576 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000503436982 943184155 /nfs/dbraw/zinc/18/41/55/943184155.db2.gz DVXPEPGGSGXDJF-LJQANCHMSA-N 2 2 351.494 3.576 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552617 943187398 /nfs/dbraw/zinc/18/73/98/943187398.db2.gz HTMHWCIHPWCKEU-MJGOQNOKSA-N 2 2 360.933 3.554 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552617 943187404 /nfs/dbraw/zinc/18/74/04/943187404.db2.gz HTMHWCIHPWCKEU-MJGOQNOKSA-N 2 2 360.933 3.554 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccccn3)[nH+]c2)C1 ZINC000272616650 943187735 /nfs/dbraw/zinc/18/77/35/943187735.db2.gz LHBISOMAILSOSV-REWPJTCUSA-N 2 2 373.504 3.818 20 0 FHADLP C[NH+](C)CCc1ccccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425284745 943190096 /nfs/dbraw/zinc/19/00/96/943190096.db2.gz RHPZOAJLYKWALW-IBGZPJMESA-N 2 2 362.477 3.675 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272660919 943195656 /nfs/dbraw/zinc/19/56/56/943195656.db2.gz HNOIATIRNNMLQV-OLMNPRSZSA-N 2 2 356.470 3.572 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115055 943209549 /nfs/dbraw/zinc/20/95/49/943209549.db2.gz KCNBFJCZDHUHKF-DYVFJYSZSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115055 943209557 /nfs/dbraw/zinc/20/95/57/943209557.db2.gz KCNBFJCZDHUHKF-DYVFJYSZSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC(F)F ZINC000660115055 943209564 /nfs/dbraw/zinc/20/95/64/943209564.db2.gz KCNBFJCZDHUHKF-DYVFJYSZSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC(F)F ZINC000660115055 943209571 /nfs/dbraw/zinc/20/95/71/943209571.db2.gz KCNBFJCZDHUHKF-DYVFJYSZSA-N 2 2 354.416 3.876 20 0 FHADLP COc1cccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272915738 943243959 /nfs/dbraw/zinc/24/39/59/943243959.db2.gz REEWMCLRMFQQIX-UHFFFAOYSA-N 2 2 358.448 3.979 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916702 943245920 /nfs/dbraw/zinc/24/59/20/943245920.db2.gz DSSNXLRNTPKGSM-CQSZACIVSA-N 2 2 372.431 3.774 20 0 FHADLP c1cn(Cc2ccc(-c3ccccc3C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)c[nH+]1 ZINC000422714897 943253901 /nfs/dbraw/zinc/25/39/01/943253901.db2.gz LOJCVIIAKJDJDZ-AIZNXBIQSA-N 3 2 372.516 3.971 20 0 FHADLP C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718003 943255538 /nfs/dbraw/zinc/25/55/38/943255538.db2.gz WOQWAVPHVRAUHU-BEFAXECRSA-N 2 2 369.475 3.790 20 0 FHADLP C[C@@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718003 943255552 /nfs/dbraw/zinc/25/55/52/943255552.db2.gz WOQWAVPHVRAUHU-BEFAXECRSA-N 2 2 369.475 3.790 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422726050 943259666 /nfs/dbraw/zinc/25/96/66/943259666.db2.gz ZDADJSWXIXSNPV-CJNGLKHVSA-N 2 2 352.404 3.511 20 0 FHADLP Fc1ccccc1Oc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000422779317 943279744 /nfs/dbraw/zinc/27/97/44/943279744.db2.gz FWNJJFHPZDLUDY-RTWAWAEBSA-N 2 2 374.431 3.614 20 0 FHADLP Fc1ccccc1Oc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1F ZINC000422779315 943280218 /nfs/dbraw/zinc/28/02/18/943280218.db2.gz FWNJJFHPZDLUDY-NHCUHLMSSA-N 2 2 374.431 3.614 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422836965 943300426 /nfs/dbraw/zinc/30/04/26/943300426.db2.gz SIDNNZMQUQKMNR-LEOXJPRUSA-N 2 2 365.521 3.604 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906505 943327188 /nfs/dbraw/zinc/32/71/88/943327188.db2.gz KAVZTMZRNZRBCD-COXVUDFISA-N 2 2 357.523 3.926 20 0 FHADLP CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000422912722 943329162 /nfs/dbraw/zinc/32/91/62/943329162.db2.gz WYTYCCMVWNQHJI-FHWLQOOXSA-N 2 2 369.534 3.536 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422936633 943338307 /nfs/dbraw/zinc/33/83/07/943338307.db2.gz FLGWJMOBJNCTFD-FSPWUOQZSA-N 2 2 350.915 3.848 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[N@H+](C)Cc3ccccc3)C(C)C)ccn12 ZINC001269939452 943344277 /nfs/dbraw/zinc/34/42/77/943344277.db2.gz MIHZHYZONKRTLO-HXUWFJFHSA-N 2 2 364.493 3.529 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C[N@@H+](C)Cc3ccccc3)C(C)C)ccn12 ZINC001269939452 943344282 /nfs/dbraw/zinc/34/42/82/943344282.db2.gz MIHZHYZONKRTLO-HXUWFJFHSA-N 2 2 364.493 3.529 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H]2CCC[NH2+]2)cc1 ZINC000422954635 943348797 /nfs/dbraw/zinc/34/87/97/943348797.db2.gz JMEJNMZVKNZIOM-GHTZIAJQSA-N 2 2 371.550 3.656 20 0 FHADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435379437 943368357 /nfs/dbraw/zinc/36/83/57/943368357.db2.gz MGUQBAFGYXAWBH-ZYSHUDEJSA-N 2 2 357.523 3.590 20 0 FHADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1 ZINC000435379437 943368364 /nfs/dbraw/zinc/36/83/64/943368364.db2.gz MGUQBAFGYXAWBH-ZYSHUDEJSA-N 2 2 357.523 3.590 20 0 FHADLP COc1cccc(CCC[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364033330 943371606 /nfs/dbraw/zinc/37/16/06/943371606.db2.gz LOWGXERSRUXJDM-UHFFFAOYSA-N 2 2 367.537 3.662 20 0 FHADLP COc1cccc(CCC[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000364033330 943371613 /nfs/dbraw/zinc/37/16/13/943371613.db2.gz LOWGXERSRUXJDM-UHFFFAOYSA-N 2 2 367.537 3.662 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000423094542 943392087 /nfs/dbraw/zinc/39/20/87/943392087.db2.gz KJAPPTLWEFMYHW-ZBEGNZNMSA-N 2 2 354.281 3.540 20 0 FHADLP COCc1nc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(-c2ccccc2)s1 ZINC000423093764 943392389 /nfs/dbraw/zinc/39/23/89/943392389.db2.gz AIMNSHUYDUDAQV-ZDUSSCGKSA-N 2 2 354.479 3.615 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423077462 943395390 /nfs/dbraw/zinc/39/53/90/943395390.db2.gz TWPRXOCYRGVYEF-SNJCGAMXSA-N 2 2 366.505 3.856 20 0 FHADLP Cc1ncsc1C[N@H+](C/C=C/c1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000435424893 943404994 /nfs/dbraw/zinc/40/49/94/943404994.db2.gz BSEKAGPQLRQBCM-FAAWYNLUSA-N 2 2 363.477 3.855 20 0 FHADLP Cc1ncsc1C[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000435424893 943404998 /nfs/dbraw/zinc/40/49/98/943404998.db2.gz BSEKAGPQLRQBCM-FAAWYNLUSA-N 2 2 363.477 3.855 20 0 FHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423147337 943407242 /nfs/dbraw/zinc/40/72/42/943407242.db2.gz RTQZBYRMSJOHRU-DNVCBOLYSA-N 2 2 354.885 3.574 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000435440987 943418613 /nfs/dbraw/zinc/41/86/13/943418613.db2.gz BYDNNLQPBXDILP-SFHVURJKSA-N 2 2 359.539 3.850 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(C)C)cc1)C[C@H]1CC[NH2+]C1 ZINC000435440987 943418617 /nfs/dbraw/zinc/41/86/17/943418617.db2.gz BYDNNLQPBXDILP-SFHVURJKSA-N 2 2 359.539 3.850 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435448298 943423666 /nfs/dbraw/zinc/42/36/66/943423666.db2.gz URJCDOSFVCEHFQ-OAHLLOKOSA-N 2 2 367.465 3.665 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH2+]C1 ZINC000435448298 943423668 /nfs/dbraw/zinc/42/36/68/943423668.db2.gz URJCDOSFVCEHFQ-OAHLLOKOSA-N 2 2 367.465 3.665 20 0 FHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1OC(F)F ZINC000423187356 943434145 /nfs/dbraw/zinc/43/41/45/943434145.db2.gz MPKOJBVQIIAXGB-ZDUSSCGKSA-N 2 2 353.388 3.653 20 0 FHADLP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423186894 943435028 /nfs/dbraw/zinc/43/50/28/943435028.db2.gz ONXKSHRZSCVNDN-VIFPVBQESA-N 2 2 362.109 3.614 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423234277 943454159 /nfs/dbraw/zinc/45/41/59/943454159.db2.gz FLPJYQIEZOZLNF-FDDCHVKYSA-N 2 2 367.537 3.997 20 0 FHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250829 943459523 /nfs/dbraw/zinc/45/95/23/943459523.db2.gz VPPBJBSVYXTKHJ-VQIMIIECSA-N 2 2 369.509 3.825 20 0 FHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423335432 943483342 /nfs/dbraw/zinc/48/33/42/943483342.db2.gz SXVVCCFERHHJHV-NXEZZACHSA-N 2 2 354.317 3.879 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000423335882 943483471 /nfs/dbraw/zinc/48/34/71/943483471.db2.gz PZOKITKEILMZML-IOMROCGXSA-N 2 2 370.468 3.566 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000423342126 943484932 /nfs/dbraw/zinc/48/49/32/943484932.db2.gz VBEYKDKUTLIJBI-VDGAXYAQSA-N 2 2 370.468 3.566 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCC3)cc1 ZINC000423354271 943488297 /nfs/dbraw/zinc/48/82/97/943488297.db2.gz COUGUQNQYILIII-FDQGKXFDSA-N 2 2 357.523 3.784 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355836 943489192 /nfs/dbraw/zinc/48/91/92/943489192.db2.gz PRWMYQKIHYBTKH-NPFVIJTESA-N 2 2 350.510 3.541 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355836 943489195 /nfs/dbraw/zinc/48/91/95/943489195.db2.gz PRWMYQKIHYBTKH-NPFVIJTESA-N 2 2 350.510 3.541 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355835 943489346 /nfs/dbraw/zinc/48/93/46/943489346.db2.gz PRWMYQKIHYBTKH-HVETUWLQSA-N 2 2 350.510 3.541 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000423355835 943489349 /nfs/dbraw/zinc/48/93/49/943489349.db2.gz PRWMYQKIHYBTKH-HVETUWLQSA-N 2 2 350.510 3.541 20 0 FHADLP CCOC(=O)C1(C)CCC([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423386428 943498518 /nfs/dbraw/zinc/49/85/18/943498518.db2.gz HEYLOEJBYQFRAB-SNCIUUNGSA-N 2 2 354.494 3.941 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423397175 943501921 /nfs/dbraw/zinc/50/19/21/943501921.db2.gz ULKZQTMYAHIWJB-APWZRJJASA-N 2 2 360.546 3.989 20 0 FHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423401983 943507777 /nfs/dbraw/zinc/50/77/77/943507777.db2.gz RCKRDWVVEQGIJG-VGOFRKELSA-N 2 2 361.489 3.871 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322629 943514850 /nfs/dbraw/zinc/51/48/50/943514850.db2.gz WELVATJQXXMXGS-LEUOFYLZSA-N 2 2 356.539 3.888 20 0 FHADLP C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423438378 943519720 /nfs/dbraw/zinc/51/97/20/943519720.db2.gz UZELFZZPPHSVNU-OXJNMPFZSA-N 2 2 362.477 3.776 20 0 FHADLP COc1cc(F)c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533311 943540097 /nfs/dbraw/zinc/54/00/97/943540097.db2.gz XGSXFPSHZOHQMD-KLCIDDBMSA-N 2 2 362.489 3.647 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518043 943543894 /nfs/dbraw/zinc/54/38/94/943543894.db2.gz ZCSNVHZIENLEFL-KBXCAEBGSA-N 2 2 358.482 3.625 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCC3)cc1 ZINC000423552398 943555654 /nfs/dbraw/zinc/55/56/54/943555654.db2.gz JVMVRTVKOQBFHI-NVXWUHKLSA-N 2 2 357.523 3.928 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC000435737659 943590079 /nfs/dbraw/zinc/59/00/79/943590079.db2.gz KMEFYKVCDNSHRO-SFHVURJKSA-N 2 2 359.539 3.559 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1cc(C)ccc1C)C[C@H]1CC[NH2+]C1 ZINC000435737659 943590082 /nfs/dbraw/zinc/59/00/82/943590082.db2.gz KMEFYKVCDNSHRO-SFHVURJKSA-N 2 2 359.539 3.559 20 0 FHADLP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660246308 943750391 /nfs/dbraw/zinc/75/03/91/943750391.db2.gz ZTKLTTSULUOIRM-FQEVSTJZSA-N 2 2 374.573 3.660 20 0 FHADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584865615 943825036 /nfs/dbraw/zinc/82/50/36/943825036.db2.gz FNQZOSKAISCVJG-INIZCTEOSA-N 2 2 366.440 3.577 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846609 /nfs/dbraw/zinc/84/66/09/943846609.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846614 /nfs/dbraw/zinc/84/66/14/943846614.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846615 /nfs/dbraw/zinc/84/66/15/943846615.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478070 943846621 /nfs/dbraw/zinc/84/66/21/943846621.db2.gz OUKXTYJRDRTHPS-QMMLZNLJSA-N 2 2 365.512 3.953 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977870 943876740 /nfs/dbraw/zinc/87/67/40/943876740.db2.gz AINMNTDGELBPOQ-WMZOPIPTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977870 943876746 /nfs/dbraw/zinc/87/67/46/943876746.db2.gz AINMNTDGELBPOQ-WMZOPIPTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977870 943876752 /nfs/dbraw/zinc/87/67/52/943876752.db2.gz AINMNTDGELBPOQ-WMZOPIPTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977870 943876759 /nfs/dbraw/zinc/87/67/59/943876759.db2.gz AINMNTDGELBPOQ-WMZOPIPTSA-N 2 2 361.555 3.732 20 0 FHADLP COc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(OC)c1OC ZINC000516997667 943901089 /nfs/dbraw/zinc/90/10/89/943901089.db2.gz ISSLAOKSTIDASN-UHFFFAOYSA-N 2 2 373.497 3.601 20 0 FHADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414801750 944025353 /nfs/dbraw/zinc/02/53/53/944025353.db2.gz URZXZBGFKKYTFG-AWEZNQCLSA-N 2 2 354.317 3.646 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000500072497 944051177 /nfs/dbraw/zinc/05/11/77/944051177.db2.gz DIXWFKWYZFTVKI-IBGZPJMESA-N 2 2 354.450 3.690 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000500072497 944051187 /nfs/dbraw/zinc/05/11/87/944051187.db2.gz DIXWFKWYZFTVKI-IBGZPJMESA-N 2 2 354.450 3.690 20 0 FHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000414806900 944053283 /nfs/dbraw/zinc/05/32/83/944053283.db2.gz BXRUPYIMUBLIOK-IBGZPJMESA-N 2 2 355.482 3.555 20 0 FHADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515710730 944134635 /nfs/dbraw/zinc/13/46/35/944134635.db2.gz ZFOABIIXDADLFY-GHTZIAJQSA-N 2 2 361.493 3.649 20 0 FHADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515710730 944134639 /nfs/dbraw/zinc/13/46/39/944134639.db2.gz ZFOABIIXDADLFY-GHTZIAJQSA-N 2 2 361.493 3.649 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCSC[C@H]3C3CCC3)sc2C1 ZINC000418120946 944173871 /nfs/dbraw/zinc/17/38/71/944173871.db2.gz BWOAETMLNSRKCM-INIZCTEOSA-N 2 2 351.585 3.627 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCSC[C@H]3C3CCC3)sc2C1 ZINC000418120946 944173876 /nfs/dbraw/zinc/17/38/76/944173876.db2.gz BWOAETMLNSRKCM-INIZCTEOSA-N 2 2 351.585 3.627 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCSC[C@H]3C3CCC3)sc2C1 ZINC000418120946 944173881 /nfs/dbraw/zinc/17/38/81/944173881.db2.gz BWOAETMLNSRKCM-INIZCTEOSA-N 2 2 351.585 3.627 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCSC[C@H]3C3CCC3)sc2C1 ZINC000418120946 944173885 /nfs/dbraw/zinc/17/38/85/944173885.db2.gz BWOAETMLNSRKCM-INIZCTEOSA-N 2 2 351.585 3.627 20 0 FHADLP CCCC[C@@H](CC)C[N@@H+]1CCC12CN(C(=O)c1c[nH]c3cc[nH+]cc13)C2 ZINC001270284288 944211600 /nfs/dbraw/zinc/21/16/00/944211600.db2.gz CKCKWKQARSMWBP-MRXNPFEDSA-N 2 2 354.498 3.680 20 0 FHADLP CCCC[C@@H](CC)C[N@H+]1CCC12CN(C(=O)c1c[nH]c3cc[nH+]cc13)C2 ZINC001270284288 944211607 /nfs/dbraw/zinc/21/16/07/944211607.db2.gz CKCKWKQARSMWBP-MRXNPFEDSA-N 2 2 354.498 3.680 20 0 FHADLP CC1CC[NH+](C2CCC([NH2+][C@@H](c3nnc[nH]3)c3ccccc3)CC2)CC1 ZINC000278830639 944212628 /nfs/dbraw/zinc/21/26/28/944212628.db2.gz CNWZJWMZOQTNRN-SOAGJPPSSA-N 2 2 353.514 3.527 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000438992644 944239481 /nfs/dbraw/zinc/23/94/81/944239481.db2.gz SSSZRBQZYYGEKP-OAHLLOKOSA-N 2 2 356.470 3.592 20 0 FHADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371564 944251902 /nfs/dbraw/zinc/25/19/02/944251902.db2.gz APNULDBUIWDUEF-FCHUYYIVSA-N 2 2 372.516 3.640 20 0 FHADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371564 944251905 /nfs/dbraw/zinc/25/19/05/944251905.db2.gz APNULDBUIWDUEF-FCHUYYIVSA-N 2 2 372.516 3.640 20 0 FHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975185 944278012 /nfs/dbraw/zinc/27/80/12/944278012.db2.gz KYBHTPOZKFBCFY-CBQGHPETSA-N 3 2 371.544 3.567 20 0 FHADLP [NH3+]C1(Cc2ccc(F)cc2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167975185 944278020 /nfs/dbraw/zinc/27/80/20/944278020.db2.gz KYBHTPOZKFBCFY-CBQGHPETSA-N 3 2 371.544 3.567 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475100 944287757 /nfs/dbraw/zinc/28/77/57/944287757.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475100 944287761 /nfs/dbraw/zinc/28/77/61/944287761.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475100 944287769 /nfs/dbraw/zinc/28/77/69/944287769.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475100 944287776 /nfs/dbraw/zinc/28/77/76/944287776.db2.gz SFNWXMYQYQWEOZ-PLACYPQZSA-N 2 2 363.590 3.752 20 0 FHADLP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000436435126 944306477 /nfs/dbraw/zinc/30/64/77/944306477.db2.gz POAJTVPAYYJFAW-UHFFFAOYSA-N 2 2 371.525 3.818 20 0 FHADLP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000436435126 944306481 /nfs/dbraw/zinc/30/64/81/944306481.db2.gz POAJTVPAYYJFAW-UHFFFAOYSA-N 2 2 371.525 3.818 20 0 FHADLP CC[N@H+](CC[C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438118861 944339255 /nfs/dbraw/zinc/33/92/55/944339255.db2.gz YQEYXYKEHWWMOT-GOSISDBHSA-N 2 2 360.546 3.626 20 0 FHADLP CC[N@@H+](CC[C@@H]1CCOC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000438118861 944339262 /nfs/dbraw/zinc/33/92/62/944339262.db2.gz YQEYXYKEHWWMOT-GOSISDBHSA-N 2 2 360.546 3.626 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCCNc1c(Br)ccc2[nH+]ccn21 ZINC001167754592 944380879 /nfs/dbraw/zinc/38/08/79/944380879.db2.gz SVDKVEYKNOFEBM-ZDUSSCGKSA-N 2 2 351.292 3.773 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCCNc1c(Br)ccc2[nH+]ccn21 ZINC001167754592 944380887 /nfs/dbraw/zinc/38/08/87/944380887.db2.gz SVDKVEYKNOFEBM-ZDUSSCGKSA-N 2 2 351.292 3.773 20 0 FHADLP C1=CC[C@@H](C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167982041 944493392 /nfs/dbraw/zinc/49/33/92/944493392.db2.gz UHIQDNKQFRKIJK-JJXTWPQTSA-N 3 2 357.586 3.802 20 0 FHADLP C1=CC[C@@H](C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167982041 944493395 /nfs/dbraw/zinc/49/33/95/944493395.db2.gz UHIQDNKQFRKIJK-JJXTWPQTSA-N 3 2 357.586 3.802 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846444 944538160 /nfs/dbraw/zinc/53/81/60/944538160.db2.gz XTURJMFPFXIEMW-OXJNMPFZSA-N 2 2 368.924 3.956 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846444 944538164 /nfs/dbraw/zinc/53/81/64/944538164.db2.gz XTURJMFPFXIEMW-OXJNMPFZSA-N 2 2 368.924 3.956 20 0 FHADLP COc1cc(F)c(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000516187024 944576272 /nfs/dbraw/zinc/57/62/72/944576272.db2.gz DRZUYESVNMMNBI-UHFFFAOYSA-N 2 2 372.484 3.906 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585484 944644072 /nfs/dbraw/zinc/64/40/72/944644072.db2.gz GUKJOMOLHYODAD-ONUIULTDSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585484 944644078 /nfs/dbraw/zinc/64/40/78/944644078.db2.gz GUKJOMOLHYODAD-ONUIULTDSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506585484 944644084 /nfs/dbraw/zinc/64/40/84/944644084.db2.gz GUKJOMOLHYODAD-ONUIULTDSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506585484 944644091 /nfs/dbraw/zinc/64/40/91/944644091.db2.gz GUKJOMOLHYODAD-ONUIULTDSA-N 2 2 363.590 3.751 20 0 FHADLP Cn1c2ccccc2nc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390668947 944674928 /nfs/dbraw/zinc/67/49/28/944674928.db2.gz RNNXNVIRKMJMAU-NRFANRHFSA-N 2 2 362.521 3.964 20 0 FHADLP Cn1c2ccccc2nc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390668947 944674933 /nfs/dbraw/zinc/67/49/33/944674933.db2.gz RNNXNVIRKMJMAU-NRFANRHFSA-N 2 2 362.521 3.964 20 0 FHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020852 944711322 /nfs/dbraw/zinc/71/13/22/944711322.db2.gz YRXSBFDSLKAIJM-MJGOQNOKSA-N 2 2 350.572 3.787 20 0 FHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020852 944711331 /nfs/dbraw/zinc/71/13/31/944711331.db2.gz YRXSBFDSLKAIJM-MJGOQNOKSA-N 2 2 350.572 3.787 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1O ZINC000426413202 944712325 /nfs/dbraw/zinc/71/23/25/944712325.db2.gz REVNNSRWWRSHMG-MRXNPFEDSA-N 2 2 351.450 3.697 20 0 FHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390712225 944764657 /nfs/dbraw/zinc/76/46/57/944764657.db2.gz XCQLGTFUMQFKGN-FPOVZHCZSA-N 2 2 368.521 3.945 20 0 FHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390712225 944764663 /nfs/dbraw/zinc/76/46/63/944764663.db2.gz XCQLGTFUMQFKGN-FPOVZHCZSA-N 2 2 368.521 3.945 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426456036 944875429 /nfs/dbraw/zinc/87/54/29/944875429.db2.gz COSQKATXQPMRAZ-GOSISDBHSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426456036 944875451 /nfs/dbraw/zinc/87/54/51/944875451.db2.gz COSQKATXQPMRAZ-GOSISDBHSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426456036 944875455 /nfs/dbraw/zinc/87/54/55/944875455.db2.gz COSQKATXQPMRAZ-GOSISDBHSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426456036 944875466 /nfs/dbraw/zinc/87/54/66/944875466.db2.gz COSQKATXQPMRAZ-GOSISDBHSA-N 2 2 370.493 3.583 20 0 FHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)CCC[NH+](C)C)c1 ZINC000516513397 944961346 /nfs/dbraw/zinc/96/13/46/944961346.db2.gz VLOIVCZFSWESBM-UHFFFAOYSA-N 2 2 358.530 3.697 20 0 FHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000516513397 944961349 /nfs/dbraw/zinc/96/13/49/944961349.db2.gz VLOIVCZFSWESBM-UHFFFAOYSA-N 2 2 358.530 3.697 20 0 FHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc4ccccc4o3)cc2)C[C@H](C)O1 ZINC000638334477 944964429 /nfs/dbraw/zinc/96/44/29/944964429.db2.gz AQJMHJPMUBRWOP-IRXDYDNUSA-N 2 2 365.477 3.727 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004064 945005839 /nfs/dbraw/zinc/00/58/39/945005839.db2.gz DDNILTBENQOTOB-KNQAVFIVSA-N 2 2 359.558 3.616 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004064 945005849 /nfs/dbraw/zinc/00/58/49/945005849.db2.gz DDNILTBENQOTOB-KNQAVFIVSA-N 2 2 359.558 3.616 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1F ZINC000414951363 945031595 /nfs/dbraw/zinc/03/15/95/945031595.db2.gz PTTSCFSUYNVSFX-YLJYHZDGSA-N 2 2 353.416 3.748 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506368235 945053368 /nfs/dbraw/zinc/05/33/68/945053368.db2.gz HIDYSOOBQOFERS-UHFFFAOYSA-N 2 2 354.542 3.853 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506368235 945053379 /nfs/dbraw/zinc/05/33/79/945053379.db2.gz HIDYSOOBQOFERS-UHFFFAOYSA-N 2 2 354.542 3.853 20 0 FHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167039 945058065 /nfs/dbraw/zinc/05/80/65/945058065.db2.gz INLBLHJNTJSXJN-ZMUQKWFASA-N 2 2 354.523 3.538 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167039 945058073 /nfs/dbraw/zinc/05/80/73/945058073.db2.gz INLBLHJNTJSXJN-ZMUQKWFASA-N 2 2 354.523 3.538 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC2)n1 ZINC000330251181 945425281 /nfs/dbraw/zinc/42/52/81/945425281.db2.gz HJNNHUBNOCDEAA-GPANFISMSA-N 2 2 357.502 3.503 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3cccnc3)C3CCC3)[nH+]c2)C1 ZINC000280948824 945476460 /nfs/dbraw/zinc/47/64/60/945476460.db2.gz TXANNPLTVUQDRD-FPOVZHCZSA-N 2 2 351.498 3.570 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000651643901 945508901 /nfs/dbraw/zinc/50/89/01/945508901.db2.gz VTFCDPQSCCCADO-OAQYLSRUSA-N 2 2 352.526 3.939 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000651643901 945508905 /nfs/dbraw/zinc/50/89/05/945508905.db2.gz VTFCDPQSCCCADO-OAQYLSRUSA-N 2 2 352.526 3.939 20 0 FHADLP FC(F)(F)c1ncc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000443976517 945597530 /nfs/dbraw/zinc/59/75/30/945597530.db2.gz ASVFXORRSUOKTE-UHFFFAOYSA-N 2 2 355.429 3.700 20 0 FHADLP FC(F)(F)c1ncc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000443976517 945597538 /nfs/dbraw/zinc/59/75/38/945597538.db2.gz ASVFXORRSUOKTE-UHFFFAOYSA-N 2 2 355.429 3.700 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(F)c1 ZINC000187843187 945608640 /nfs/dbraw/zinc/60/86/40/945608640.db2.gz PFOMNZMHSQTAAV-QFIPXVFZSA-N 2 2 372.484 3.778 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3cncc(F)c3)C3CC3)[nH+]c2)CC1 ZINC000281690875 945806731 /nfs/dbraw/zinc/80/67/31/945806731.db2.gz SCBMBAVHXMOLOI-NRFANRHFSA-N 2 2 369.488 3.709 20 0 FHADLP CC(C)c1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000301855319 946004787 /nfs/dbraw/zinc/00/47/87/946004787.db2.gz HYKIRPSHHXNEAB-RTBURBONSA-N 2 2 360.546 3.903 20 0 FHADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000441034798 946146646 /nfs/dbraw/zinc/14/66/46/946146646.db2.gz CFYUBXLGEGOKQJ-MRXNPFEDSA-N 2 2 351.485 3.516 20 0 FHADLP Cc1ccc([C@H](CNc2cc[nH+]c3ccc(C)cc23)[NH+]2CCOCC2)o1 ZINC000302176869 946159823 /nfs/dbraw/zinc/15/98/23/946159823.db2.gz XKLUAVJDOGIUBR-FQEVSTJZSA-N 2 2 351.450 3.930 20 0 FHADLP Cc1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(C)n1CCC(C)C ZINC000444289672 946180447 /nfs/dbraw/zinc/18/04/47/946180447.db2.gz IFDMNWDSGJRQQM-UHFFFAOYSA-N 2 2 356.514 3.936 20 0 FHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520177498 946237156 /nfs/dbraw/zinc/23/71/56/946237156.db2.gz VWGGDGAJSWDGKH-LJQANCHMSA-N 2 2 360.461 3.723 20 0 FHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177498 946237167 /nfs/dbraw/zinc/23/71/67/946237167.db2.gz VWGGDGAJSWDGKH-LJQANCHMSA-N 2 2 360.461 3.723 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000508482080 946267510 /nfs/dbraw/zinc/26/75/10/946267510.db2.gz BSNKWJKTHOXYEI-APWZRJJASA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000508482080 946267518 /nfs/dbraw/zinc/26/75/18/946267518.db2.gz BSNKWJKTHOXYEI-APWZRJJASA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482080 946267527 /nfs/dbraw/zinc/26/75/27/946267527.db2.gz BSNKWJKTHOXYEI-APWZRJJASA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482080 946267536 /nfs/dbraw/zinc/26/75/36/946267536.db2.gz BSNKWJKTHOXYEI-APWZRJJASA-N 2 2 362.468 3.633 20 0 FHADLP COc1cccc2c(NC3CC[NH+](CCOC(C)C)CC3)c(C)c[nH+]c12 ZINC000302649932 946269800 /nfs/dbraw/zinc/26/98/00/946269800.db2.gz MUAWLIICWCSKLI-UHFFFAOYSA-N 2 2 357.498 3.853 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302870836 946360292 /nfs/dbraw/zinc/36/02/92/946360292.db2.gz BLLNYRMWHPIGOA-IEBWSBKVSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000302870836 946360304 /nfs/dbraw/zinc/36/03/04/946360304.db2.gz BLLNYRMWHPIGOA-IEBWSBKVSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000302870836 946360316 /nfs/dbraw/zinc/36/03/16/946360316.db2.gz BLLNYRMWHPIGOA-IEBWSBKVSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000302870836 946360328 /nfs/dbraw/zinc/36/03/28/946360328.db2.gz BLLNYRMWHPIGOA-IEBWSBKVSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000655719958 946729924 /nfs/dbraw/zinc/72/99/24/946729924.db2.gz XWUMEMJVUJSQIF-VGSWGCGISA-N 2 2 351.494 3.653 20 0 FHADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000647975057 946858690 /nfs/dbraw/zinc/85/86/90/946858690.db2.gz JLZAUHOIRYVFMM-ZIAGYGMSSA-N 2 2 370.324 3.644 20 0 FHADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000647975057 946858704 /nfs/dbraw/zinc/85/87/04/946858704.db2.gz JLZAUHOIRYVFMM-ZIAGYGMSSA-N 2 2 370.324 3.644 20 0 FHADLP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123625477 946874993 /nfs/dbraw/zinc/87/49/93/946874993.db2.gz VOUIWNFOKMCFAT-UHFFFAOYSA-N 2 2 366.431 3.692 20 0 FHADLP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123625477 946875007 /nfs/dbraw/zinc/87/50/07/946875007.db2.gz VOUIWNFOKMCFAT-UHFFFAOYSA-N 2 2 366.431 3.692 20 0 FHADLP CCOc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1 ZINC000652352094 946909856 /nfs/dbraw/zinc/90/98/56/946909856.db2.gz DPYBKMHCQJMLIM-JXFKEZNVSA-N 2 2 357.523 3.770 20 0 FHADLP CCOc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cs2)cc1 ZINC000652352094 946909868 /nfs/dbraw/zinc/90/98/68/946909868.db2.gz DPYBKMHCQJMLIM-JXFKEZNVSA-N 2 2 357.523 3.770 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3csc(Cl)c3Cl)[nH+]c2)C1 ZINC000432252855 946970440 /nfs/dbraw/zinc/97/04/40/946970440.db2.gz HQLFADQGIJPYPO-CYBMUJFWSA-N 2 2 371.337 3.624 20 0 FHADLP CCCC[C@@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825259223 947132938 /nfs/dbraw/zinc/13/29/38/947132938.db2.gz HBFKHWQZBXLFKK-LJQANCHMSA-N 2 2 370.545 3.780 20 0 FHADLP Cc1cncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000467728823 947168854 /nfs/dbraw/zinc/16/88/54/947168854.db2.gz WRJHRCCNEYPQFL-SFHVURJKSA-N 2 2 372.944 3.906 20 0 FHADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301226023 947240907 /nfs/dbraw/zinc/24/09/07/947240907.db2.gz DUCJIOOJICMKBW-UHFFFAOYSA-N 2 2 365.525 3.852 20 0 FHADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301226023 947240918 /nfs/dbraw/zinc/24/09/18/947240918.db2.gz DUCJIOOJICMKBW-UHFFFAOYSA-N 2 2 365.525 3.852 20 0 FHADLP Fc1ccc2c(N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc[nH+]c2c1 ZINC000301273164 947261532 /nfs/dbraw/zinc/26/15/32/947261532.db2.gz ODMFGWWEXLBJEU-OAQYLSRUSA-N 2 2 351.425 3.859 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247257788 947264715 /nfs/dbraw/zinc/26/47/15/947264715.db2.gz XMMIEZPNYSJYFL-LIRRHRJNSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247257788 947264727 /nfs/dbraw/zinc/26/47/27/947264727.db2.gz XMMIEZPNYSJYFL-LIRRHRJNSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247257788 947264739 /nfs/dbraw/zinc/26/47/39/947264739.db2.gz XMMIEZPNYSJYFL-LIRRHRJNSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247257788 947264751 /nfs/dbraw/zinc/26/47/51/947264751.db2.gz XMMIEZPNYSJYFL-LIRRHRJNSA-N 2 2 372.463 3.804 20 0 FHADLP C[NH+]1CCC(CNc2nc(-c3ccccc3)ns2)([NH+]2CCCCC2)CC1 ZINC000125734311 947273052 /nfs/dbraw/zinc/27/30/52/947273052.db2.gz UPSCDVCDNSQJHX-UHFFFAOYSA-N 2 2 371.554 3.567 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441461857 947600540 /nfs/dbraw/zinc/60/05/40/947600540.db2.gz HHOMVHCNZJFSHE-QFIPXVFZSA-N 2 2 371.569 3.541 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000441461857 947600547 /nfs/dbraw/zinc/60/05/47/947600547.db2.gz HHOMVHCNZJFSHE-QFIPXVFZSA-N 2 2 371.569 3.541 20 0 FHADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC000523874257 947685222 /nfs/dbraw/zinc/68/52/22/947685222.db2.gz FLRYEZQPSIXNDG-INIZCTEOSA-N 2 2 352.482 3.554 20 0 FHADLP Clc1cc(Br)cnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662296370 947722890 /nfs/dbraw/zinc/72/28/90/947722890.db2.gz YZPHACUIIGMVMP-CYBMUJFWSA-N 2 2 372.738 3.709 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[NH+](Cc4cccs4)CC3)c2cc1OC ZINC000663343972 947807517 /nfs/dbraw/zinc/80/75/17/947807517.db2.gz LDTYENLXRXRZJD-UHFFFAOYSA-N 2 2 369.490 3.636 20 0 FHADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159213964 947809706 /nfs/dbraw/zinc/80/97/06/947809706.db2.gz OLDGNTQHIDVCND-UHFFFAOYSA-N 2 2 357.889 3.861 20 0 FHADLP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159213964 947809714 /nfs/dbraw/zinc/80/97/14/947809714.db2.gz OLDGNTQHIDVCND-UHFFFAOYSA-N 2 2 357.889 3.861 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc2c1CC[NH2+]C2 ZINC000662692679 947983135 /nfs/dbraw/zinc/98/31/35/947983135.db2.gz PETVBASNLUBKPB-UHFFFAOYSA-N 2 2 372.472 3.784 20 0 FHADLP C[C@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cn1cc[nH+]c1 ZINC000512036228 948255205 /nfs/dbraw/zinc/25/52/05/948255205.db2.gz FSKIZXLIYADQMT-CQSZACIVSA-N 2 2 363.387 3.514 20 0 FHADLP CN(C)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000549623740 948288232 /nfs/dbraw/zinc/28/82/32/948288232.db2.gz FTNMCYWKSMIQCO-IBGZPJMESA-N 2 2 358.917 3.596 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432418863 948373854 /nfs/dbraw/zinc/37/38/54/948373854.db2.gz WPANMXWHORNAMM-LSDHHAIUSA-N 2 2 370.921 3.509 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432418863 948373861 /nfs/dbraw/zinc/37/38/61/948373861.db2.gz WPANMXWHORNAMM-LSDHHAIUSA-N 2 2 370.921 3.509 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432421118 948382423 /nfs/dbraw/zinc/38/24/23/948382423.db2.gz NUSRCKUKTPWPNJ-GJZGRUSLSA-N 2 2 353.576 3.901 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432421118 948382428 /nfs/dbraw/zinc/38/24/28/948382428.db2.gz NUSRCKUKTPWPNJ-GJZGRUSLSA-N 2 2 353.576 3.901 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110311 948494205 /nfs/dbraw/zinc/49/42/05/948494205.db2.gz ZVPBWGVUNLBPNU-NVXWUHKLSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110311 948494209 /nfs/dbraw/zinc/49/42/09/948494209.db2.gz ZVPBWGVUNLBPNU-NVXWUHKLSA-N 2 2 370.324 3.929 20 0 FHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000167852770 948506568 /nfs/dbraw/zinc/50/65/68/948506568.db2.gz UMZFQKZONBHHMD-HNNXBMFYSA-N 2 2 357.464 3.732 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000512164637 948604020 /nfs/dbraw/zinc/60/40/20/948604020.db2.gz CYOXSYFLZGEHBC-FQEVSTJZSA-N 2 2 352.526 3.816 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000512164637 948604023 /nfs/dbraw/zinc/60/40/23/948604023.db2.gz CYOXSYFLZGEHBC-FQEVSTJZSA-N 2 2 352.526 3.816 20 0 FHADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000279235290 948650675 /nfs/dbraw/zinc/65/06/75/948650675.db2.gz ZDXYNHJPEPFIRT-GOSISDBHSA-N 2 2 373.566 3.687 20 0 FHADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000279235290 948650680 /nfs/dbraw/zinc/65/06/80/948650680.db2.gz ZDXYNHJPEPFIRT-GOSISDBHSA-N 2 2 373.566 3.687 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000275534317 527513244 /nfs/dbraw/zinc/51/32/44/527513244.db2.gz MEKCHBYUOLNEKY-RDTXWAMCSA-N 2 2 356.857 3.632 20 0 FHADLP OC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000601753281 567835974 /nfs/dbraw/zinc/83/59/74/567835974.db2.gz HKBSLVHTTKACFB-NRFANRHFSA-N 2 2 367.880 3.744 20 0 FHADLP [NH3+]C1(CNC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CCCCC1 ZINC000521407319 567870788 /nfs/dbraw/zinc/87/07/88/567870788.db2.gz HYPFYQRVZSXSNS-UHFFFAOYSA-N 2 2 367.497 3.670 20 0 FHADLP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCN1c1ccccc1F ZINC000602238781 567954894 /nfs/dbraw/zinc/95/48/94/567954894.db2.gz TYSYPKNTPNEIHF-NRFANRHFSA-N 2 2 373.516 3.519 20 0 FHADLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(Br)cc1F ZINC000186939019 568025151 /nfs/dbraw/zinc/02/51/51/568025151.db2.gz HCMLIIVZBXGBDH-JTQLQIEISA-N 2 2 358.299 3.943 20 0 FHADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000602759198 568032534 /nfs/dbraw/zinc/03/25/34/568032534.db2.gz GWJLWWAHMQXVLG-UHFFFAOYSA-N 2 2 357.373 3.707 20 0 FHADLP CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469898 568102971 /nfs/dbraw/zinc/10/29/71/568102971.db2.gz ZEAVSUFYZHKNDX-PZJWPPBQSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469898 568102972 /nfs/dbraw/zinc/10/29/72/568102972.db2.gz ZEAVSUFYZHKNDX-PZJWPPBQSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469855 568102981 /nfs/dbraw/zinc/10/29/81/568102981.db2.gz SRWPNGSVSMWDBE-WOJBJXKFSA-N 2 2 363.590 3.658 20 0 FHADLP CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469855 568102982 /nfs/dbraw/zinc/10/29/82/568102982.db2.gz SRWPNGSVSMWDBE-WOJBJXKFSA-N 2 2 363.590 3.658 20 0 FHADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000261936145 568266243 /nfs/dbraw/zinc/26/62/43/568266243.db2.gz KKHVWMMDHBGGDN-SECBINFHSA-N 2 2 364.704 3.645 20 0 FHADLP Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604601387 568323534 /nfs/dbraw/zinc/32/35/34/568323534.db2.gz HZTWRMLTKXMBTA-SFHVURJKSA-N 2 2 353.466 3.785 20 0 FHADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251810 568351789 /nfs/dbraw/zinc/35/17/89/568351789.db2.gz BOZILJBSYQSGPV-CRAIPNDOSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251810 568351790 /nfs/dbraw/zinc/35/17/90/568351790.db2.gz BOZILJBSYQSGPV-CRAIPNDOSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251880 568352526 /nfs/dbraw/zinc/35/25/26/568352526.db2.gz PAMJTUINODKDKC-YJBOKZPZSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251880 568352527 /nfs/dbraw/zinc/35/25/27/568352527.db2.gz PAMJTUINODKDKC-YJBOKZPZSA-N 2 2 356.432 3.682 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001164694890 719892067 /nfs/dbraw/zinc/89/20/67/719892067.db2.gz GVWDPLRESKMUNI-UHFFFAOYSA-N 2 2 357.523 3.631 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(C)c1 ZINC001164694890 719892068 /nfs/dbraw/zinc/89/20/68/719892068.db2.gz GVWDPLRESKMUNI-UHFFFAOYSA-N 2 2 357.523 3.631 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816499 720113354 /nfs/dbraw/zinc/11/33/54/720113354.db2.gz ZGOZFRBDFKNHMP-OFNKIYASSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816499 720113361 /nfs/dbraw/zinc/11/33/61/720113361.db2.gz ZGOZFRBDFKNHMP-OFNKIYASSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815431 720201732 /nfs/dbraw/zinc/20/17/32/720201732.db2.gz ZDVQHYLBAXEHNV-DENIHFKCSA-N 2 2 357.542 3.564 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815431 720201745 /nfs/dbraw/zinc/20/17/45/720201745.db2.gz ZDVQHYLBAXEHNV-DENIHFKCSA-N 2 2 357.542 3.564 20 0 FHADLP C[C@H]1CCCN(c2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc[nH+]2)C1 ZINC001165048108 721977327 /nfs/dbraw/zinc/97/73/27/721977327.db2.gz JALZDDZPWWJNQZ-OALUTQOASA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992583 936349467 /nfs/dbraw/zinc/34/94/67/936349467.db2.gz HCHDMYDMAVSJSP-CABZTGNLSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992583 936349471 /nfs/dbraw/zinc/34/94/71/936349471.db2.gz HCHDMYDMAVSJSP-CABZTGNLSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992583 936349475 /nfs/dbraw/zinc/34/94/75/936349475.db2.gz HCHDMYDMAVSJSP-CABZTGNLSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992583 936349479 /nfs/dbraw/zinc/34/94/79/936349479.db2.gz HCHDMYDMAVSJSP-CABZTGNLSA-N 2 2 351.741 3.936 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000426169810 945069021 /nfs/dbraw/zinc/06/90/21/945069021.db2.gz IPEVLZIJIMHQNU-NQIIRXRSSA-N 2 2 368.521 3.976 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1O ZINC000426169810 945069031 /nfs/dbraw/zinc/06/90/31/945069031.db2.gz IPEVLZIJIMHQNU-NQIIRXRSSA-N 2 2 368.521 3.976 20 0 FHADLP CCCC[NH+]1CCC([NH2+][C@@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000583064233 937088798 /nfs/dbraw/zinc/08/87/98/937088798.db2.gz JHRHLDIEEILLGT-QGZVFWFLSA-N 2 2 362.514 3.996 20 0 FHADLP [NH3+][C@@H](CC1CCCCC1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000583131147 937153647 /nfs/dbraw/zinc/15/36/47/937153647.db2.gz KTJHLMYHUJOXRC-IBGZPJMESA-N 2 2 370.497 3.539 20 0 FHADLP CC[NH+](CC)CC(=O)Nc1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000579757518 927303005 /nfs/dbraw/zinc/30/30/05/927303005.db2.gz AHIGBZZBRIQZGU-UHFFFAOYSA-N 2 2 365.481 3.535 20 0 FHADLP c1cn(-c2ccccc2-c2noc(C3(CC4CCC4)CC[NH2+]CC3)n2)c[nH+]1 ZINC001211500666 928054276 /nfs/dbraw/zinc/05/42/76/928054276.db2.gz MHURDMLJPRRHHC-UHFFFAOYSA-N 2 2 363.465 3.734 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000683224591 928337713 /nfs/dbraw/zinc/33/77/13/928337713.db2.gz MTFJZQNOLZXNMY-UHFFFAOYSA-N 2 2 353.470 3.716 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000683224591 928337726 /nfs/dbraw/zinc/33/77/26/928337726.db2.gz MTFJZQNOLZXNMY-UHFFFAOYSA-N 2 2 353.470 3.716 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCC3CCCCCC3)CC2)CC1 ZINC000655152307 928351787 /nfs/dbraw/zinc/35/17/87/928351787.db2.gz GXHCWCAAHLAZRO-UHFFFAOYSA-N 2 2 363.590 3.756 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCC3CCCCCC3)CC2)CC1 ZINC000655152307 928351792 /nfs/dbraw/zinc/35/17/92/928351792.db2.gz GXHCWCAAHLAZRO-UHFFFAOYSA-N 2 2 363.590 3.756 20 0 FHADLP C[N@H+](CCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000547731628 929052911 /nfs/dbraw/zinc/05/29/11/929052911.db2.gz MXVLHSMVHKCXJX-UHFFFAOYSA-N 2 2 364.559 3.722 20 0 FHADLP C[N@@H+](CCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CCCCC1 ZINC000547731628 929052922 /nfs/dbraw/zinc/05/29/22/929052922.db2.gz MXVLHSMVHKCXJX-UHFFFAOYSA-N 2 2 364.559 3.722 20 0 FHADLP Cc1ccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)o1 ZINC000180163043 929410749 /nfs/dbraw/zinc/41/07/49/929410749.db2.gz GRNXRXAIKFDING-KRWDZBQOSA-N 2 2 373.463 3.731 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC3 ZINC000123202142 929889248 /nfs/dbraw/zinc/88/92/48/929889248.db2.gz FGQGLIMVLXGMBE-INIZCTEOSA-N 2 2 364.493 3.911 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@H](C(F)(F)F)C1 ZINC000548036043 930097106 /nfs/dbraw/zinc/09/71/06/930097106.db2.gz LKPIPODRFNOTBH-SWLSCSKDSA-N 2 2 359.417 3.507 20 0 FHADLP CC[N@@H+](Cc1cc(C(=O)OC)oc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372099 930178576 /nfs/dbraw/zinc/17/85/76/930178576.db2.gz IZBXYFSLHVCIDV-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[N@H+](Cc1cc(C(=O)OC)oc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372099 930178581 /nfs/dbraw/zinc/17/85/81/930178581.db2.gz IZBXYFSLHVCIDV-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C(=O)OC)oc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372099 930178587 /nfs/dbraw/zinc/17/85/87/930178587.db2.gz IZBXYFSLHVCIDV-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C(=O)OC)oc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372099 930178594 /nfs/dbraw/zinc/17/85/94/930178594.db2.gz IZBXYFSLHVCIDV-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP OC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325344 930505189 /nfs/dbraw/zinc/50/51/89/930505189.db2.gz XGTOYXAWOYDWSX-LEWJYISDSA-N 2 2 354.469 3.646 20 0 FHADLP OC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325344 930505193 /nfs/dbraw/zinc/50/51/93/930505193.db2.gz XGTOYXAWOYDWSX-LEWJYISDSA-N 2 2 354.469 3.646 20 0 FHADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000125511015 930646602 /nfs/dbraw/zinc/64/66/02/930646602.db2.gz JQGJYAGVKOAGIX-IBGZPJMESA-N 2 2 354.542 3.612 20 0 FHADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000125511015 930646606 /nfs/dbraw/zinc/64/66/06/930646606.db2.gz JQGJYAGVKOAGIX-IBGZPJMESA-N 2 2 354.542 3.612 20 0 FHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645234 930966428 /nfs/dbraw/zinc/96/64/28/930966428.db2.gz XKTIUDIIJONWGX-JPYJTQIMSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645234 930966445 /nfs/dbraw/zinc/96/64/45/930966445.db2.gz XKTIUDIIJONWGX-JPYJTQIMSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027587 931475577 /nfs/dbraw/zinc/47/55/77/931475577.db2.gz FOCYSJPJMDIICU-ICSRJNTNSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027587 931475582 /nfs/dbraw/zinc/47/55/82/931475582.db2.gz FOCYSJPJMDIICU-ICSRJNTNSA-N 2 2 361.493 3.583 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000430550165 931799397 /nfs/dbraw/zinc/79/93/97/931799397.db2.gz JSFWDVVZRRMHFA-RTWAWAEBSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560069 931851062 /nfs/dbraw/zinc/85/10/62/931851062.db2.gz YUUYYTCOQYSQKE-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560069 931851065 /nfs/dbraw/zinc/85/10/65/931851065.db2.gz YUUYYTCOQYSQKE-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C\c2ccccc2OC)cc1F ZINC000656791183 932423740 /nfs/dbraw/zinc/42/37/40/932423740.db2.gz VTTWXZNXHRGCRJ-HAYIEMCXSA-N 2 2 370.468 3.591 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCOc3ccccc32)cc1F ZINC000656789369 932426518 /nfs/dbraw/zinc/42/65/18/932426518.db2.gz WRQHVOPODWYKRJ-GUXCAODWSA-N 2 2 358.432 3.566 20 0 FHADLP Cc1c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cnn1C(C)C ZINC000276551917 932648163 /nfs/dbraw/zinc/64/81/63/932648163.db2.gz QNBDLZSRUPFRKE-MRXNPFEDSA-N 2 2 370.545 3.871 20 0 FHADLP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2cc3ccccc3o2)n1 ZINC000684425641 932690867 /nfs/dbraw/zinc/69/08/67/932690867.db2.gz BYHAUEPPUUNUBV-UHFFFAOYSA-N 2 2 364.493 3.940 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510471096 932801256 /nfs/dbraw/zinc/80/12/56/932801256.db2.gz KBNDETQEIASANQ-QUCCMNQESA-N 2 2 374.488 3.746 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510471096 932801265 /nfs/dbraw/zinc/80/12/65/932801265.db2.gz KBNDETQEIASANQ-QUCCMNQESA-N 2 2 374.488 3.746 20 0 FHADLP Brc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232868 932824110 /nfs/dbraw/zinc/82/41/10/932824110.db2.gz SDGLCRFTGFSCJZ-KSSFIOAISA-N 2 2 374.326 3.961 20 0 FHADLP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232868 932824117 /nfs/dbraw/zinc/82/41/17/932824117.db2.gz SDGLCRFTGFSCJZ-KSSFIOAISA-N 2 2 374.326 3.961 20 0 FHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952063 933104199 /nfs/dbraw/zinc/10/41/99/933104199.db2.gz XMEZAKMJNYVESD-OAQYLSRUSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952063 933104204 /nfs/dbraw/zinc/10/42/04/933104204.db2.gz XMEZAKMJNYVESD-OAQYLSRUSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952063 933104210 /nfs/dbraw/zinc/10/42/10/933104210.db2.gz XMEZAKMJNYVESD-OAQYLSRUSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952063 933104215 /nfs/dbraw/zinc/10/42/15/933104215.db2.gz XMEZAKMJNYVESD-OAQYLSRUSA-N 2 2 353.510 3.824 20 0 FHADLP Cc1cccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(F)c2)c1 ZINC000510722330 933521695 /nfs/dbraw/zinc/52/16/95/933521695.db2.gz ORTHXHFUCFCFRT-JOCHJYFZSA-N 2 2 356.485 3.660 20 0 FHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749029 933641245 /nfs/dbraw/zinc/64/12/45/933641245.db2.gz DTXYKOKDGIKVHB-QAPCUYQASA-N 2 2 358.448 3.727 20 0 FHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749029 933641246 /nfs/dbraw/zinc/64/12/46/933641246.db2.gz DTXYKOKDGIKVHB-QAPCUYQASA-N 2 2 358.448 3.727 20 0 FHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3ccnc(C4CC4)n3)cc2)CC1 ZINC000150877501 934718023 /nfs/dbraw/zinc/71/80/23/934718023.db2.gz ZLKKIMQMJRUNPO-UHFFFAOYSA-N 2 2 351.498 3.876 20 0 FHADLP Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000472072316 934945159 /nfs/dbraw/zinc/94/51/59/934945159.db2.gz DLTMQGCDIQYYPA-UHFFFAOYSA-N 2 2 351.479 3.845 20 0 FHADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657323013 935205795 /nfs/dbraw/zinc/20/57/95/935205795.db2.gz NOBYQJVDFGYCKX-INIZCTEOSA-N 2 2 363.465 3.542 20 0 FHADLP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000657326714 935222400 /nfs/dbraw/zinc/22/24/00/935222400.db2.gz DXQMMDILLKWRHK-KRWDZBQOSA-N 2 2 351.450 3.576 20 0 FHADLP c1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)n(-c2cc[nH+]cc2)n1 ZINC000657339461 935278445 /nfs/dbraw/zinc/27/84/45/935278445.db2.gz UFDLDNFKGJKKPT-UHFFFAOYSA-N 2 2 363.465 3.664 20 0 FHADLP CCOc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1OC(F)F ZINC000657392914 935526802 /nfs/dbraw/zinc/52/68/02/935526802.db2.gz FLPPTYRIWOAXND-UHFFFAOYSA-N 2 2 374.391 3.557 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1cccs1 ZINC000427122209 945107397 /nfs/dbraw/zinc/10/73/97/945107397.db2.gz ASRJFGONUDLAAR-AEFFLSMTSA-N 2 2 358.507 3.520 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1cccs1 ZINC000427122209 945107399 /nfs/dbraw/zinc/10/73/99/945107399.db2.gz ASRJFGONUDLAAR-AEFFLSMTSA-N 2 2 358.507 3.520 20 0 FHADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561578 /nfs/dbraw/zinc/56/15/78/935561578.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 2 363.549 3.757 20 0 FHADLP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248823 935561581 /nfs/dbraw/zinc/56/15/81/935561581.db2.gz INHNIKLPJGQZBV-QVGHQYEOSA-N 2 2 363.549 3.757 20 0 FHADLP CSc1cccc(N(C(=O)C[C@H](C)n2cc[nH+]c2)C2CC[NH+](C)CC2)c1 ZINC000582363293 935570701 /nfs/dbraw/zinc/57/07/01/935570701.db2.gz PZELIMLXMAPNEG-INIZCTEOSA-N 2 2 372.538 3.684 20 0 FHADLP Cc1[nH+]c2c(n1[C@H]1CCN(c3cc(C(C)C)[nH+]c(N(C)C)n3)C1)CCCC2 ZINC000431392503 935593838 /nfs/dbraw/zinc/59/38/38/935593838.db2.gz OIPFVUAWDJEFGR-INIZCTEOSA-N 2 2 368.529 3.501 20 0 FHADLP CC(=O)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000375698261 935630518 /nfs/dbraw/zinc/63/05/18/935630518.db2.gz RLXGRSNWCKDAPK-SFHVURJKSA-N 2 2 353.466 3.524 20 0 FHADLP CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000375698261 935630522 /nfs/dbraw/zinc/63/05/22/935630522.db2.gz RLXGRSNWCKDAPK-SFHVURJKSA-N 2 2 353.466 3.524 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000657431064 935713079 /nfs/dbraw/zinc/71/30/79/935713079.db2.gz CQZQVXOVTKICRO-PWRODBHTSA-N 2 2 352.526 3.854 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000657431064 935713083 /nfs/dbraw/zinc/71/30/83/935713083.db2.gz CQZQVXOVTKICRO-PWRODBHTSA-N 2 2 352.526 3.854 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431417910 935747257 /nfs/dbraw/zinc/74/72/57/935747257.db2.gz KGOZUSPQLODYGP-UHFFFAOYSA-N 2 2 358.486 3.520 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000152831931 935869547 /nfs/dbraw/zinc/86/95/47/935869547.db2.gz MQJQEQHNAJVINA-INIZCTEOSA-N 2 2 357.473 3.587 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000162800929 945134665 /nfs/dbraw/zinc/13/46/65/945134665.db2.gz LPXIVHKIPOCGKX-UHFFFAOYSA-N 2 2 355.511 3.708 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000162800929 945134671 /nfs/dbraw/zinc/13/46/71/945134671.db2.gz LPXIVHKIPOCGKX-UHFFFAOYSA-N 2 2 355.511 3.708 20 0 FHADLP C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582683704 935938347 /nfs/dbraw/zinc/93/83/47/935938347.db2.gz FIQCVKKZFOYKME-QFIPXVFZSA-N 2 2 372.940 3.840 20 0 FHADLP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582683704 935938350 /nfs/dbraw/zinc/93/83/50/935938350.db2.gz FIQCVKKZFOYKME-QFIPXVFZSA-N 2 2 372.940 3.840 20 0 FHADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c2ccccc2C1 ZINC000582719652 935979684 /nfs/dbraw/zinc/97/96/84/935979684.db2.gz AHGXDPAYAVSCML-PKTZIBPZSA-N 2 2 365.521 3.893 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106214150 945138644 /nfs/dbraw/zinc/13/86/44/945138644.db2.gz IKFJEIPPOXZOSB-PKOBYXMFSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106214150 945138650 /nfs/dbraw/zinc/13/86/50/945138650.db2.gz IKFJEIPPOXZOSB-PKOBYXMFSA-N 2 2 354.498 3.726 20 0 FHADLP Fc1ccc(-n2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2)cc1 ZINC000077400590 936050668 /nfs/dbraw/zinc/05/06/68/936050668.db2.gz IVFYDVAKYKXNGQ-UHFFFAOYSA-N 2 2 361.424 3.546 20 0 FHADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793786 936130497 /nfs/dbraw/zinc/13/04/97/936130497.db2.gz OODUZNLYVOWTIB-KSSFIOAISA-N 2 2 367.415 3.834 20 0 FHADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793786 936130500 /nfs/dbraw/zinc/13/05/00/936130500.db2.gz OODUZNLYVOWTIB-KSSFIOAISA-N 2 2 367.415 3.834 20 0 FHADLP CC[N@H+](Cc1nc(C)c(C)[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000628173433 936235408 /nfs/dbraw/zinc/23/54/08/936235408.db2.gz VYDORMXPXULYPS-UHFFFAOYSA-N 2 2 370.545 3.739 20 0 FHADLP CC[N@@H+](Cc1nc(C)c(C)[nH]1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000628173433 936235411 /nfs/dbraw/zinc/23/54/11/936235411.db2.gz VYDORMXPXULYPS-UHFFFAOYSA-N 2 2 370.545 3.739 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067851 938301373 /nfs/dbraw/zinc/30/13/73/938301373.db2.gz DFKNBSJUWYFMIB-HKUYNNGSSA-N 2 2 374.488 3.904 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067851 938301374 /nfs/dbraw/zinc/30/13/74/938301374.db2.gz DFKNBSJUWYFMIB-HKUYNNGSSA-N 2 2 374.488 3.904 20 0 FHADLP C[C@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161821474 938356191 /nfs/dbraw/zinc/35/61/91/938356191.db2.gz AHIWUDWRCGBLGH-HNAYVOBHSA-N 2 2 370.497 3.826 20 0 FHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000536104267 938362497 /nfs/dbraw/zinc/36/24/97/938362497.db2.gz YOMTVTNYWPAVMY-SFHVURJKSA-N 2 2 368.525 3.562 20 0 FHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000536104267 938362500 /nfs/dbraw/zinc/36/25/00/938362500.db2.gz YOMTVTNYWPAVMY-SFHVURJKSA-N 2 2 368.525 3.562 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158785473 938371773 /nfs/dbraw/zinc/37/17/73/938371773.db2.gz OCUMRNLAHMXMKR-MBOZVWFJSA-N 2 2 357.542 3.727 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158785473 938371776 /nfs/dbraw/zinc/37/17/76/938371776.db2.gz OCUMRNLAHMXMKR-MBOZVWFJSA-N 2 2 357.542 3.727 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158785473 938371778 /nfs/dbraw/zinc/37/17/78/938371778.db2.gz OCUMRNLAHMXMKR-MBOZVWFJSA-N 2 2 357.542 3.727 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158785473 938371780 /nfs/dbraw/zinc/37/17/80/938371780.db2.gz OCUMRNLAHMXMKR-MBOZVWFJSA-N 2 2 357.542 3.727 20 0 FHADLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000657814178 938528523 /nfs/dbraw/zinc/52/85/23/938528523.db2.gz ALAXOGLCSGFCDQ-VGOFRKELSA-N 2 2 356.485 3.544 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000132839712 938544204 /nfs/dbraw/zinc/54/42/04/938544204.db2.gz STBDTZVZABNVQS-HUUCEWRRSA-N 2 2 367.331 3.601 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CCc2ccccc2)c(C)c1 ZINC000584108402 938600447 /nfs/dbraw/zinc/60/04/47/938600447.db2.gz BMRIJXQVMKMVLQ-JTHBVZDNSA-N 2 2 363.505 3.825 20 0 FHADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158922225 938601818 /nfs/dbraw/zinc/60/18/18/938601818.db2.gz PPTDQDWAJQXHGE-PWIZWCRZSA-N 2 2 357.542 3.555 20 0 FHADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158922225 938601821 /nfs/dbraw/zinc/60/18/21/938601821.db2.gz PPTDQDWAJQXHGE-PWIZWCRZSA-N 2 2 357.542 3.555 20 0 FHADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158922225 938601822 /nfs/dbraw/zinc/60/18/22/938601822.db2.gz PPTDQDWAJQXHGE-PWIZWCRZSA-N 2 2 357.542 3.555 20 0 FHADLP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158922225 938601824 /nfs/dbraw/zinc/60/18/24/938601824.db2.gz PPTDQDWAJQXHGE-PWIZWCRZSA-N 2 2 357.542 3.555 20 0 FHADLP C[N@H+](Cc1cscn1)Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000892373451 938637596 /nfs/dbraw/zinc/63/75/96/938637596.db2.gz SOGGIWVDWCAFCL-CTXDPNEZSA-N 2 2 356.539 3.812 20 0 FHADLP C[N@@H+](Cc1cscn1)Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000892373451 938637598 /nfs/dbraw/zinc/63/75/98/938637598.db2.gz SOGGIWVDWCAFCL-CTXDPNEZSA-N 2 2 356.539 3.812 20 0 FHADLP C[NH+](Cc1cscn1)Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000892373451 938637600 /nfs/dbraw/zinc/63/76/00/938637600.db2.gz SOGGIWVDWCAFCL-CTXDPNEZSA-N 2 2 356.539 3.812 20 0 FHADLP C[NH+](Cc1cscn1)Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000892373451 938637601 /nfs/dbraw/zinc/63/76/01/938637601.db2.gz SOGGIWVDWCAFCL-CTXDPNEZSA-N 2 2 356.539 3.812 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000584360704 938706018 /nfs/dbraw/zinc/70/60/18/938706018.db2.gz ONLDFRUWNRFXSK-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C(C)(C)C)c3)CC2)CC1 ZINC000584360704 938706019 /nfs/dbraw/zinc/70/60/19/938706019.db2.gz ONLDFRUWNRFXSK-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP C[N@H+](Cc1cc(F)cc2cccnc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968485 938710865 /nfs/dbraw/zinc/71/08/65/938710865.db2.gz WLDBYVVZBUPXEX-UHFFFAOYSA-N 2 2 350.441 3.870 20 0 FHADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968485 938710867 /nfs/dbraw/zinc/71/08/67/938710867.db2.gz WLDBYVVZBUPXEX-UHFFFAOYSA-N 2 2 350.441 3.870 20 0 FHADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080989152 938712814 /nfs/dbraw/zinc/71/28/14/938712814.db2.gz WTFULHJZUBFMOZ-QGZVFWFLSA-N 2 2 351.454 3.963 20 0 FHADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080989152 938712816 /nfs/dbraw/zinc/71/28/16/938712816.db2.gz WTFULHJZUBFMOZ-QGZVFWFLSA-N 2 2 351.454 3.963 20 0 FHADLP C[NH+](CCC[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547676 945203644 /nfs/dbraw/zinc/20/36/44/945203644.db2.gz CHSHSYSEUCZLTL-IBGZPJMESA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@H+](C)CC[C@@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547676 945203646 /nfs/dbraw/zinc/20/36/46/945203646.db2.gz CHSHSYSEUCZLTL-IBGZPJMESA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660547676 945203650 /nfs/dbraw/zinc/20/36/50/945203650.db2.gz CHSHSYSEUCZLTL-IBGZPJMESA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660547676 945203654 /nfs/dbraw/zinc/20/36/54/945203654.db2.gz CHSHSYSEUCZLTL-IBGZPJMESA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547677 945203908 /nfs/dbraw/zinc/20/39/08/945203908.db2.gz CHSHSYSEUCZLTL-LJQANCHMSA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@H+](C)CC[C@H]1Sc2ccccc2NC1=O)Cc1ccco1 ZINC000660547677 945203913 /nfs/dbraw/zinc/20/39/13/945203913.db2.gz CHSHSYSEUCZLTL-LJQANCHMSA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC[C@H]1Sc2ccccc2NC1=O ZINC000660547677 945203924 /nfs/dbraw/zinc/20/39/24/945203924.db2.gz CHSHSYSEUCZLTL-LJQANCHMSA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC[C@H]1Sc2ccccc2NC1=O ZINC000660547677 945203931 /nfs/dbraw/zinc/20/39/31/945203931.db2.gz CHSHSYSEUCZLTL-LJQANCHMSA-N 2 2 373.522 3.536 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnc(-c4ccco4)s3)[nH+]c2)C1 ZINC000278758554 938815098 /nfs/dbraw/zinc/81/50/98/938815098.db2.gz NJZKWXVECAKZOU-OAHLLOKOSA-N 2 2 369.494 3.551 20 0 FHADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1Cl ZINC000090079290 938875066 /nfs/dbraw/zinc/87/50/66/938875066.db2.gz USTKEZFCUPVITC-MRXNPFEDSA-N 2 2 366.292 3.680 20 0 FHADLP Cc1cc(N(C)CCC2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)[nH+]1 ZINC000092696093 938918369 /nfs/dbraw/zinc/91/83/69/938918369.db2.gz UKRCHJMHZLTMCZ-UHFFFAOYSA-N 2 2 351.498 3.800 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000363566641 938980304 /nfs/dbraw/zinc/98/03/04/938980304.db2.gz AXLZAMKHZQUYPX-KRWDZBQOSA-N 2 2 351.498 3.600 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1nc2ccccc2n1C ZINC000363566641 938980306 /nfs/dbraw/zinc/98/03/06/938980306.db2.gz AXLZAMKHZQUYPX-KRWDZBQOSA-N 2 2 351.498 3.600 20 0 FHADLP C[N@H+](CCOC1CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968910 939009091 /nfs/dbraw/zinc/00/90/91/939009091.db2.gz QNEZFNRDYMSTHZ-UHFFFAOYSA-N 2 2 359.558 3.760 20 0 FHADLP C[N@@H+](CCOC1CCCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968910 939009092 /nfs/dbraw/zinc/00/90/92/939009092.db2.gz QNEZFNRDYMSTHZ-UHFFFAOYSA-N 2 2 359.558 3.760 20 0 FHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnc(C(F)(F)F)nc3)CC2)C1 ZINC000658079081 939021231 /nfs/dbraw/zinc/02/12/31/939021231.db2.gz OLRXISCIJMRFJQ-CJNGLKHVSA-N 2 2 356.436 3.628 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091034 939022302 /nfs/dbraw/zinc/02/23/02/939022302.db2.gz KGZPHSJVFDWRQH-HOCLYGCPSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091034 939022303 /nfs/dbraw/zinc/02/23/03/939022303.db2.gz KGZPHSJVFDWRQH-HOCLYGCPSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000065749999 939025062 /nfs/dbraw/zinc/02/50/62/939025062.db2.gz HXGHDDQSNZBQLO-IBGZPJMESA-N 2 2 374.916 3.578 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000658189485 939061768 /nfs/dbraw/zinc/06/17/68/939061768.db2.gz UHCPGMXAANBJAQ-WPGHFRTFSA-N 2 2 355.345 3.809 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)CC[N@H+]1C ZINC000658189485 939061772 /nfs/dbraw/zinc/06/17/72/939061772.db2.gz UHCPGMXAANBJAQ-WPGHFRTFSA-N 2 2 355.345 3.809 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000658295966 939101856 /nfs/dbraw/zinc/10/18/56/939101856.db2.gz WOCRMIOSRBGZKP-WMLDXEAASA-N 2 2 370.509 3.948 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316555 939109962 /nfs/dbraw/zinc/10/99/62/939109962.db2.gz FUAWWDYSSYMCRB-AZUAARDMSA-N 2 2 364.537 3.782 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316555 939109968 /nfs/dbraw/zinc/10/99/68/939109968.db2.gz FUAWWDYSSYMCRB-AZUAARDMSA-N 2 2 364.537 3.782 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136626 /nfs/dbraw/zinc/13/66/26/939136626.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 3 2 371.613 3.993 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136628 /nfs/dbraw/zinc/13/66/28/939136628.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136634 /nfs/dbraw/zinc/13/66/34/939136634.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686507 939136637 /nfs/dbraw/zinc/13/66/37/939136637.db2.gz RIXAVWOCMAEULS-URXFXBBRSA-N 3 2 371.613 3.993 20 0 FHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516779640 945231854 /nfs/dbraw/zinc/23/18/54/945231854.db2.gz HLPMKUGETVFCPX-BJLQDIEVSA-N 2 2 370.541 3.718 20 0 FHADLP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000516779640 945231865 /nfs/dbraw/zinc/23/18/65/945231865.db2.gz HLPMKUGETVFCPX-BJLQDIEVSA-N 2 2 370.541 3.718 20 0 FHADLP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507495754 945267630 /nfs/dbraw/zinc/26/76/30/945267630.db2.gz NHNXFHZPRJIKLE-HOCLYGCPSA-N 2 2 350.469 3.834 20 0 FHADLP CCCCc1noc([C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278783604 939898762 /nfs/dbraw/zinc/89/87/62/939898762.db2.gz DICFQKOWMDPMLY-OAHLLOKOSA-N 2 2 357.502 3.886 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831503 939952480 /nfs/dbraw/zinc/95/24/80/939952480.db2.gz UDVIKGYKDHJHCF-JMERFSKESA-N 2 2 366.431 3.571 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831503 939952484 /nfs/dbraw/zinc/95/24/84/939952484.db2.gz UDVIKGYKDHJHCF-JMERFSKESA-N 2 2 366.431 3.571 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000548918497 940006914 /nfs/dbraw/zinc/00/69/14/940006914.db2.gz UNWVGJPTXRLGDI-KRWDZBQOSA-N 2 2 350.466 3.845 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000548918497 940006918 /nfs/dbraw/zinc/00/69/18/940006918.db2.gz UNWVGJPTXRLGDI-KRWDZBQOSA-N 2 2 350.466 3.845 20 0 FHADLP CN(C(=O)c1ccc(C2CCCC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785820 940158243 /nfs/dbraw/zinc/15/82/43/940158243.db2.gz FILREXXSNIUSPC-JOCHJYFZSA-N 2 2 369.553 3.585 20 0 FHADLP CN(C(=O)c1ccc(C2CCCC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785820 940158246 /nfs/dbraw/zinc/15/82/46/940158246.db2.gz FILREXXSNIUSPC-JOCHJYFZSA-N 2 2 369.553 3.585 20 0 FHADLP C[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388195 940165552 /nfs/dbraw/zinc/16/55/52/940165552.db2.gz ATJRXHIRGLPTBQ-INIZCTEOSA-N 2 2 370.497 3.922 20 0 FHADLP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)CC1 ZINC000892507171 940178772 /nfs/dbraw/zinc/17/87/72/940178772.db2.gz UNOACMLHHASKEV-UHFFFAOYSA-N 2 2 356.539 3.937 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H](C)[C@H]3C[NH3+])c2)cc1 ZINC000647496816 940357228 /nfs/dbraw/zinc/35/72/28/940357228.db2.gz VBNDHRUBYMPDHM-IIBYNOLFSA-N 2 2 367.493 3.507 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](C)[C@H]3C[NH3+])c2)cc1 ZINC000647496816 940357231 /nfs/dbraw/zinc/35/72/31/940357231.db2.gz VBNDHRUBYMPDHM-IIBYNOLFSA-N 2 2 367.493 3.507 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000892527039 940471419 /nfs/dbraw/zinc/47/14/19/940471419.db2.gz GOCNTFWTZFEZFO-UHFFFAOYSA-N 2 2 366.412 3.783 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064351 940472950 /nfs/dbraw/zinc/47/29/50/940472950.db2.gz FOQYIJWJSBFWFW-ROUUACIJSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064351 940472951 /nfs/dbraw/zinc/47/29/51/940472951.db2.gz FOQYIJWJSBFWFW-ROUUACIJSA-N 2 2 352.526 3.912 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472585126 940969165 /nfs/dbraw/zinc/96/91/65/940969165.db2.gz WLKZJVVAQMMKBG-WIYYLYMNSA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472585126 940969172 /nfs/dbraw/zinc/96/91/72/940969172.db2.gz WLKZJVVAQMMKBG-WIYYLYMNSA-N 2 2 365.512 3.908 20 0 FHADLP Fc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1C(F)F ZINC000892614965 940973102 /nfs/dbraw/zinc/97/31/02/940973102.db2.gz PAKYHFHHODYWKY-UHFFFAOYSA-N 2 2 364.411 3.885 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337534 941001866 /nfs/dbraw/zinc/00/18/66/941001866.db2.gz QNEAMLSZVFITGA-AFYVEPGGSA-N 2 2 359.558 3.864 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337534 941001867 /nfs/dbraw/zinc/00/18/67/941001867.db2.gz QNEAMLSZVFITGA-AFYVEPGGSA-N 2 2 359.558 3.864 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(N(C)C)[nH+]1 ZINC000162144502 941004136 /nfs/dbraw/zinc/00/41/36/941004136.db2.gz FIOGOTITAFFUBC-ROUUACIJSA-N 2 2 373.545 3.574 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(N(C)C)[nH+]1 ZINC000162144502 941004137 /nfs/dbraw/zinc/00/41/37/941004137.db2.gz FIOGOTITAFFUBC-ROUUACIJSA-N 2 2 373.545 3.574 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414340286 941004824 /nfs/dbraw/zinc/00/48/24/941004824.db2.gz MPECRWVDSYQMRL-FUAMJQMHSA-N 2 2 365.521 3.694 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414340286 941004826 /nfs/dbraw/zinc/00/48/26/941004826.db2.gz MPECRWVDSYQMRL-FUAMJQMHSA-N 2 2 365.521 3.694 20 0 FHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661726 945367403 /nfs/dbraw/zinc/36/74/03/945367403.db2.gz FQNDDYQRDOORCW-QFIPXVFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661726 945367406 /nfs/dbraw/zinc/36/74/06/945367406.db2.gz FQNDDYQRDOORCW-QFIPXVFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661726 945367416 /nfs/dbraw/zinc/36/74/16/945367416.db2.gz FQNDDYQRDOORCW-QFIPXVFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661726 945367426 /nfs/dbraw/zinc/36/74/26/945367426.db2.gz FQNDDYQRDOORCW-QFIPXVFZSA-N 2 2 369.484 3.717 20 0 FHADLP Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000376460468 941052810 /nfs/dbraw/zinc/05/28/10/941052810.db2.gz XCJADHOPJCCWHT-FQEVSTJZSA-N 2 2 366.465 3.577 20 0 FHADLP Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000376460468 941052811 /nfs/dbraw/zinc/05/28/11/941052811.db2.gz XCJADHOPJCCWHT-FQEVSTJZSA-N 2 2 366.465 3.577 20 0 FHADLP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)o1 ZINC000647546487 941069365 /nfs/dbraw/zinc/06/93/65/941069365.db2.gz MFYCTFQQHLNPCL-LJQANCHMSA-N 2 2 352.482 3.902 20 0 FHADLP Clc1cccc2c1SCC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423230748 941078133 /nfs/dbraw/zinc/07/81/33/941078133.db2.gz JWDRAFLLFYQWFW-MRXNPFEDSA-N 2 2 360.914 3.794 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000376770584 941428221 /nfs/dbraw/zinc/42/82/21/941428221.db2.gz CBYASAMRMFHJSG-ZRGWGRIASA-N 2 2 374.916 3.700 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1Cl ZINC000376770584 941428223 /nfs/dbraw/zinc/42/82/23/941428223.db2.gz CBYASAMRMFHJSG-ZRGWGRIASA-N 2 2 374.916 3.700 20 0 FHADLP CN1CC[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000376845565 941449545 /nfs/dbraw/zinc/44/95/45/941449545.db2.gz XZXKLLZTXIBENS-OAHLLOKOSA-N 2 2 355.448 3.617 20 0 FHADLP FC(F)(F)COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)ccn1 ZINC000415079769 941591606 /nfs/dbraw/zinc/59/16/06/941591606.db2.gz KOKRSQNOBACQHQ-IRXDYDNUSA-N 2 2 365.399 3.606 20 0 FHADLP C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415136663 941626410 /nfs/dbraw/zinc/62/64/10/941626410.db2.gz XMMCARVDLFMMQE-YJBOKZPZSA-N 2 2 359.901 3.731 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000415136663 941626412 /nfs/dbraw/zinc/62/64/12/941626412.db2.gz XMMCARVDLFMMQE-YJBOKZPZSA-N 2 2 359.901 3.731 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000163721720 941666237 /nfs/dbraw/zinc/66/62/37/941666237.db2.gz GTLJROYRDJWSGI-GOSISDBHSA-N 2 2 371.550 3.705 20 0 FHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000893018223 941891980 /nfs/dbraw/zinc/89/19/80/941891980.db2.gz GSMBDIWJBJJCRR-UHFFFAOYSA-N 2 2 368.506 3.930 20 0 FHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000893018223 941891987 /nfs/dbraw/zinc/89/19/87/941891987.db2.gz GSMBDIWJBJJCRR-UHFFFAOYSA-N 2 2 368.506 3.930 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000893021941 941899005 /nfs/dbraw/zinc/89/90/05/941899005.db2.gz XAKBFBPGJQBIJX-BEFAXECRSA-N 2 2 364.511 3.539 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000893021941 941899011 /nfs/dbraw/zinc/89/90/11/941899011.db2.gz XAKBFBPGJQBIJX-BEFAXECRSA-N 2 2 364.511 3.539 20 0 FHADLP CSc1cc(Br)ccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377788541 941990003 /nfs/dbraw/zinc/99/00/03/941990003.db2.gz XESMDQSOEUFOEM-GFCCVEGCSA-N 2 2 352.301 3.541 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)[C@H](C)C2)s1 ZINC000377794171 941997111 /nfs/dbraw/zinc/99/71/11/941997111.db2.gz XNHOMGNBPSBQED-AUUYWEPGSA-N 2 2 354.523 3.933 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)[C@H](C)C2)s1 ZINC000377794171 941997114 /nfs/dbraw/zinc/99/71/14/941997114.db2.gz XNHOMGNBPSBQED-AUUYWEPGSA-N 2 2 354.523 3.933 20 0 FHADLP C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377926980 942071517 /nfs/dbraw/zinc/07/15/17/942071517.db2.gz YPTYWUVFMFSSJF-UHFFFAOYSA-N 2 2 363.427 3.638 20 0 FHADLP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377926980 942071520 /nfs/dbraw/zinc/07/15/20/942071520.db2.gz YPTYWUVFMFSSJF-UHFFFAOYSA-N 2 2 363.427 3.638 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc(O)cc(Cl)c3)[nH+]c2)CC1 ZINC000893136506 942099899 /nfs/dbraw/zinc/09/98/99/942099899.db2.gz UNCQZAHJAYCFPW-UHFFFAOYSA-N 2 2 360.889 3.583 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000415921431 942148281 /nfs/dbraw/zinc/14/82/81/942148281.db2.gz QJMNYPUZKKMBEI-UHFFFAOYSA-N 2 2 369.513 3.717 20 0 FHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000420769213 942200875 /nfs/dbraw/zinc/20/08/75/942200875.db2.gz XKJIKWCUVZADNM-UHFFFAOYSA-N 2 2 354.498 3.540 20 0 FHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000420813907 942219983 /nfs/dbraw/zinc/21/99/83/942219983.db2.gz VYMAGXVMRYMEDT-RXVVDRJESA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000420813907 942219986 /nfs/dbraw/zinc/21/99/86/942219986.db2.gz VYMAGXVMRYMEDT-RXVVDRJESA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000420847058 942228187 /nfs/dbraw/zinc/22/81/87/942228187.db2.gz KCSSSIJASVQAQG-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C)[nH+]1 ZINC000420847058 942228191 /nfs/dbraw/zinc/22/81/91/942228191.db2.gz KCSSSIJASVQAQG-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900635 942246047 /nfs/dbraw/zinc/24/60/47/942246047.db2.gz IUTUESNSTWBXQJ-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900635 942246050 /nfs/dbraw/zinc/24/60/50/942246050.db2.gz IUTUESNSTWBXQJ-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919414 942254553 /nfs/dbraw/zinc/25/45/53/942254553.db2.gz ZAFBAGOXKVENFE-QFIPXVFZSA-N 2 2 353.510 3.585 20 0 FHADLP Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919414 942254557 /nfs/dbraw/zinc/25/45/57/942254557.db2.gz ZAFBAGOXKVENFE-QFIPXVFZSA-N 2 2 353.510 3.585 20 0 FHADLP Cc1cccnc1[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000420931535 942260739 /nfs/dbraw/zinc/26/07/39/942260739.db2.gz GAMDWYQASUGUOH-OAQYLSRUSA-N 2 2 353.510 3.709 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420942518 942280421 /nfs/dbraw/zinc/28/04/21/942280421.db2.gz HBRFXRHSNODUPA-SFHVURJKSA-N 2 2 369.475 3.863 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420942518 942280422 /nfs/dbraw/zinc/28/04/22/942280422.db2.gz HBRFXRHSNODUPA-SFHVURJKSA-N 2 2 369.475 3.863 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1 ZINC000502323342 942354777 /nfs/dbraw/zinc/35/47/77/942354777.db2.gz VHRFTJCTIHBMKT-QGZVFWFLSA-N 2 2 355.482 3.616 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1 ZINC000502323342 942354781 /nfs/dbraw/zinc/35/47/81/942354781.db2.gz VHRFTJCTIHBMKT-QGZVFWFLSA-N 2 2 355.482 3.616 20 0 FHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501471535 942490541 /nfs/dbraw/zinc/49/05/41/942490541.db2.gz LFZOXGLHEGYJHD-VMEIHUARSA-N 2 2 356.432 3.809 20 0 FHADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501471535 942490546 /nfs/dbraw/zinc/49/05/46/942490546.db2.gz LFZOXGLHEGYJHD-VMEIHUARSA-N 2 2 356.432 3.809 20 0 FHADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C[C@@H]2C1 ZINC000421379900 942529933 /nfs/dbraw/zinc/52/99/33/942529933.db2.gz HJIRZQONMVBKLT-BGYRXZFFSA-N 2 2 350.510 3.659 20 0 FHADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C[C@@H]2C1 ZINC000421379900 942529939 /nfs/dbraw/zinc/52/99/39/942529939.db2.gz HJIRZQONMVBKLT-BGYRXZFFSA-N 2 2 350.510 3.659 20 0 FHADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C[C@@H]2C1 ZINC000421379900 942529947 /nfs/dbraw/zinc/52/99/47/942529947.db2.gz HJIRZQONMVBKLT-BGYRXZFFSA-N 2 2 350.510 3.659 20 0 FHADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C4CCCC4)c3-c3ccccc3)C[C@@H]2C1 ZINC000421379900 942529948 /nfs/dbraw/zinc/52/99/48/942529948.db2.gz HJIRZQONMVBKLT-BGYRXZFFSA-N 2 2 350.510 3.659 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293208 942597701 /nfs/dbraw/zinc/59/77/01/942597701.db2.gz QLPUKRGJHCCXBZ-PXNSSMCTSA-N 2 2 363.505 3.509 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293208 942597704 /nfs/dbraw/zinc/59/77/04/942597704.db2.gz QLPUKRGJHCCXBZ-PXNSSMCTSA-N 2 2 363.505 3.509 20 0 FHADLP CCc1cccc(C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420308580 942614333 /nfs/dbraw/zinc/61/43/33/942614333.db2.gz KOSFDUAZEWPAPV-FQEVSTJZSA-N 2 2 352.526 3.610 20 0 FHADLP CCc1cccc(C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000420308580 942614336 /nfs/dbraw/zinc/61/43/36/942614336.db2.gz KOSFDUAZEWPAPV-FQEVSTJZSA-N 2 2 352.526 3.610 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342503 942624852 /nfs/dbraw/zinc/62/48/52/942624852.db2.gz PLEOQBSFRVBCEY-WFASDCNBSA-N 2 2 370.324 3.784 20 0 FHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420356247 942635778 /nfs/dbraw/zinc/63/57/78/942635778.db2.gz GJDDKPMYBYDLDX-NRFANRHFSA-N 2 2 351.494 3.789 20 0 FHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CCCCC1 ZINC000420365378 942640767 /nfs/dbraw/zinc/64/07/67/942640767.db2.gz SAEBTMCAHWUKQO-HXUWFJFHSA-N 2 2 367.493 3.915 20 0 FHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000420368668 942642734 /nfs/dbraw/zinc/64/27/34/942642734.db2.gz NWLNTVODLZNZKO-GFCCVEGCSA-N 2 2 364.704 3.563 20 0 FHADLP C[NH2+]CCC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000420422465 942659123 /nfs/dbraw/zinc/65/91/23/942659123.db2.gz ZNDNNHAMXNGNES-LLVKDONJSA-N 2 2 354.317 3.833 20 0 FHADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414846663 942714660 /nfs/dbraw/zinc/71/46/60/942714660.db2.gz NTTZIMKRYKGTSK-IERDGZPVSA-N 2 2 370.493 3.540 20 0 FHADLP COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000075784281 942786313 /nfs/dbraw/zinc/78/63/13/942786313.db2.gz XVKHMZQKAYIGQW-KRWDZBQOSA-N 2 2 351.450 3.649 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1Cl ZINC000421824198 942832780 /nfs/dbraw/zinc/83/27/80/942832780.db2.gz HLWXLVKVFMSOBP-HOTGVXAUSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1Cl ZINC000421824198 942832784 /nfs/dbraw/zinc/83/27/84/942832784.db2.gz HLWXLVKVFMSOBP-HOTGVXAUSA-N 2 2 359.901 3.807 20 0 FHADLP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000514241354 942856447 /nfs/dbraw/zinc/85/64/47/942856447.db2.gz GWZJRBZZWFSYNG-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP C[C@@H]1CCC[C@@](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)([NH+](C)C)C1 ZINC000425147471 942873139 /nfs/dbraw/zinc/87/31/39/942873139.db2.gz RLJKHJSODCICKA-SFGWALBWSA-N 2 2 368.525 3.558 20 0 FHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154068 942880359 /nfs/dbraw/zinc/88/03/59/942880359.db2.gz GSXRAVIKRWSQPY-UXHICEINSA-N 2 2 368.525 3.703 20 0 FHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154068 942880361 /nfs/dbraw/zinc/88/03/61/942880361.db2.gz GSXRAVIKRWSQPY-UXHICEINSA-N 2 2 368.525 3.703 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CC(C)C)CCCC3)CC2)CC1 ZINC000422023565 942941653 /nfs/dbraw/zinc/94/16/53/942941653.db2.gz PWMZNAKRAVJRAF-UHFFFAOYSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CC(C)C)CCCC3)CC2)CC1 ZINC000422023565 942941658 /nfs/dbraw/zinc/94/16/58/942941658.db2.gz PWMZNAKRAVJRAF-UHFFFAOYSA-N 2 2 363.590 3.612 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434736294 942942203 /nfs/dbraw/zinc/94/22/03/942942203.db2.gz LGZFUMIWCFXBKI-SIKLNZKXSA-N 2 2 370.541 3.594 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434736294 942942209 /nfs/dbraw/zinc/94/22/09/942942209.db2.gz LGZFUMIWCFXBKI-SIKLNZKXSA-N 2 2 370.541 3.594 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434736294 942942214 /nfs/dbraw/zinc/94/22/14/942942214.db2.gz LGZFUMIWCFXBKI-SIKLNZKXSA-N 2 2 370.541 3.594 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434736294 942942219 /nfs/dbraw/zinc/94/22/19/942942219.db2.gz LGZFUMIWCFXBKI-SIKLNZKXSA-N 2 2 370.541 3.594 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000422016760 942951903 /nfs/dbraw/zinc/95/19/03/942951903.db2.gz ILAMCMMTBVPOLE-FQEVSTJZSA-N 2 2 371.569 3.589 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000422016760 942951907 /nfs/dbraw/zinc/95/19/07/942951907.db2.gz ILAMCMMTBVPOLE-FQEVSTJZSA-N 2 2 371.569 3.589 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422019301 942953040 /nfs/dbraw/zinc/95/30/40/942953040.db2.gz LIMOGNWAOISELN-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422019301 942953050 /nfs/dbraw/zinc/95/30/50/942953050.db2.gz LIMOGNWAOISELN-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3=C(C)CC(C)(C)CC3)CC2)CC1 ZINC000422020018 942954753 /nfs/dbraw/zinc/95/47/53/942954753.db2.gz LYZHOKFSURUXID-UHFFFAOYSA-N 2 2 361.574 3.532 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3=C(C)CC(C)(C)CC3)CC2)CC1 ZINC000422020018 942954760 /nfs/dbraw/zinc/95/47/60/942954760.db2.gz LYZHOKFSURUXID-UHFFFAOYSA-N 2 2 361.574 3.532 20 0 FHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000378616449 942965802 /nfs/dbraw/zinc/96/58/02/942965802.db2.gz OTURMUWVIWYGFF-FXAWDEMLSA-N 2 2 366.509 3.603 20 0 FHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000378616449 942965808 /nfs/dbraw/zinc/96/58/08/942965808.db2.gz OTURMUWVIWYGFF-FXAWDEMLSA-N 2 2 366.509 3.603 20 0 FHADLP Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(C)cc3C[NH+](C)C)C2)[nH+]c1 ZINC000363888617 942971013 /nfs/dbraw/zinc/97/10/13/942971013.db2.gz NRFUCYQRHFPSOB-SFHVURJKSA-N 2 2 366.509 3.615 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007277 943032318 /nfs/dbraw/zinc/03/23/18/943032318.db2.gz GNZVWVPKAGAGDB-RTBURBONSA-N 2 2 369.509 3.501 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007277 943032325 /nfs/dbraw/zinc/03/23/25/943032325.db2.gz GNZVWVPKAGAGDB-RTBURBONSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007277 943032334 /nfs/dbraw/zinc/03/23/34/943032334.db2.gz GNZVWVPKAGAGDB-RTBURBONSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007277 943032345 /nfs/dbraw/zinc/03/23/45/943032345.db2.gz GNZVWVPKAGAGDB-RTBURBONSA-N 2 2 369.509 3.501 20 0 FHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422219253 943059736 /nfs/dbraw/zinc/05/97/36/943059736.db2.gz ZGTQCGKXZXLCSK-UHFFFAOYSA-N 2 2 368.525 3.752 20 0 FHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)c(F)c1 ZINC000272500005 943166370 /nfs/dbraw/zinc/16/63/70/943166370.db2.gz DOKSWQWCUYFDCB-HNNXBMFYSA-N 2 2 368.802 3.519 20 0 FHADLP C[C@@H]1C[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000272498317 943166395 /nfs/dbraw/zinc/16/63/95/943166395.db2.gz DIXKPLDRECCAHG-VQIMIIECSA-N 2 2 369.475 3.656 20 0 FHADLP C[C@@H]1C[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000272498317 943166398 /nfs/dbraw/zinc/16/63/98/943166398.db2.gz DIXKPLDRECCAHG-VQIMIIECSA-N 2 2 369.475 3.656 20 0 FHADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413849 943171160 /nfs/dbraw/zinc/17/11/60/943171160.db2.gz VEGIFHCANDFUBY-MOPGFXCFSA-N 2 2 374.573 3.730 20 0 FHADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413849 943171164 /nfs/dbraw/zinc/17/11/64/943171164.db2.gz VEGIFHCANDFUBY-MOPGFXCFSA-N 2 2 374.573 3.730 20 0 FHADLP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC000514666524 943201527 /nfs/dbraw/zinc/20/15/27/943201527.db2.gz TYLBDYVKHXXQBS-INIZCTEOSA-N 2 2 365.880 3.995 20 0 FHADLP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC000514666524 943201530 /nfs/dbraw/zinc/20/15/30/943201530.db2.gz TYLBDYVKHXXQBS-INIZCTEOSA-N 2 2 365.880 3.995 20 0 FHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713378 943254304 /nfs/dbraw/zinc/25/43/04/943254304.db2.gz JOIXIEWTJPORLM-CWBXHPNXSA-N 3 2 373.585 3.596 20 0 FHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713378 943254307 /nfs/dbraw/zinc/25/43/07/943254307.db2.gz JOIXIEWTJPORLM-CWBXHPNXSA-N 3 2 373.585 3.596 20 0 FHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422743597 943268729 /nfs/dbraw/zinc/26/87/29/943268729.db2.gz ULOPRWVAVWCQSI-DHIUTWEWSA-N 2 2 365.521 3.747 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422835964 943300636 /nfs/dbraw/zinc/30/06/36/943300636.db2.gz QKJVVCAZKMWIQH-FDFHNCONSA-N 2 2 366.553 3.916 20 0 FHADLP C[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000422815534 943302579 /nfs/dbraw/zinc/30/25/79/943302579.db2.gz XTGNOMKYZKQIES-FSPWUOQZSA-N 2 2 356.432 3.556 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCOc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422889230 943318792 /nfs/dbraw/zinc/31/87/92/943318792.db2.gz PBHSJMGMDYLYLD-WEYGHZABSA-N 2 2 352.478 3.644 20 0 FHADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)c(C(F)(F)F)c2)n1 ZINC000422896788 943323508 /nfs/dbraw/zinc/32/35/08/943323508.db2.gz AZEYLKWIUZISDH-KSSFIOAISA-N 2 2 366.431 3.738 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906508 943327248 /nfs/dbraw/zinc/32/72/48/943327248.db2.gz KAVZTMZRNZRBCD-KBRIMQKVSA-N 2 2 357.523 3.926 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000425341629 943335708 /nfs/dbraw/zinc/33/57/08/943335708.db2.gz XIRRJVJWHJJRGN-UNMCSNQZSA-N 2 2 352.526 3.951 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000425341629 943335711 /nfs/dbraw/zinc/33/57/11/943335711.db2.gz XIRRJVJWHJJRGN-UNMCSNQZSA-N 2 2 352.526 3.951 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937348 943337394 /nfs/dbraw/zinc/33/73/94/943337394.db2.gz GCAYIMGNTRWOSN-SKDZVZGDSA-N 2 2 350.915 3.848 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422936635 943338580 /nfs/dbraw/zinc/33/85/80/943338580.db2.gz FLGWJMOBJNCTFD-JEBQAFNWSA-N 2 2 350.915 3.848 20 0 FHADLP COc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2Cl)cc1 ZINC000422919111 943341667 /nfs/dbraw/zinc/34/16/67/943341667.db2.gz JKTSGGCFZLHISE-CEQIKUNHSA-N 2 2 374.912 3.795 20 0 FHADLP CCc1sc(-c2nnc(C[N@H+](C)CCCn3cc[nH+]c3C)o2)cc1C ZINC000514875494 943353224 /nfs/dbraw/zinc/35/32/24/943353224.db2.gz DBZITDMKGBGMOH-UHFFFAOYSA-N 2 2 359.499 3.696 20 0 FHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370989 943364774 /nfs/dbraw/zinc/36/47/74/943364774.db2.gz KTRCLKDDFOXYSV-RYUDHWBXSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370989 943364779 /nfs/dbraw/zinc/36/47/79/943364779.db2.gz KTRCLKDDFOXYSV-RYUDHWBXSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000423019550 943366286 /nfs/dbraw/zinc/36/62/86/943366286.db2.gz WDZAPDOIBVDDLP-GGPKGHCWSA-N 2 2 354.494 3.683 20 0 FHADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435379432 943367623 /nfs/dbraw/zinc/36/76/23/943367623.db2.gz MGUQBAFGYXAWBH-IPELMVKDSA-N 2 2 357.523 3.590 20 0 FHADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435379432 943367629 /nfs/dbraw/zinc/36/76/29/943367629.db2.gz MGUQBAFGYXAWBH-IPELMVKDSA-N 2 2 357.523 3.590 20 0 FHADLP C[C@H](NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423032407 943371966 /nfs/dbraw/zinc/37/19/66/943371966.db2.gz MMHDHADIWZYJLI-SCLBCKFNSA-N 2 2 356.341 3.688 20 0 FHADLP C[C@@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423041664 943375230 /nfs/dbraw/zinc/37/52/30/943375230.db2.gz XQGLTVNWQCSOLQ-RNCFNFMXSA-N 2 2 351.210 3.640 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423069344 943380754 /nfs/dbraw/zinc/38/07/54/943380754.db2.gz AUJMPGMNLFFIMA-WAOWUJCRSA-N 2 2 354.494 3.683 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077461 943395242 /nfs/dbraw/zinc/39/52/42/943395242.db2.gz TWPRXOCYRGVYEF-MALNDZBISA-N 2 2 366.505 3.856 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000423122933 943397918 /nfs/dbraw/zinc/39/79/18/943397918.db2.gz KHESCGUJYXNGEA-BDTNDASRSA-N 2 2 353.510 3.811 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435423448 943403638 /nfs/dbraw/zinc/40/36/38/943403638.db2.gz QQKYPNRNEHYHCS-OAHLLOKOSA-N 2 2 367.465 3.665 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435423448 943403643 /nfs/dbraw/zinc/40/36/43/943403643.db2.gz QQKYPNRNEHYHCS-OAHLLOKOSA-N 2 2 367.465 3.665 20 0 FHADLP CCOc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435426735 943405673 /nfs/dbraw/zinc/40/56/73/943405673.db2.gz JFYWPWMWWQVRQK-GOSISDBHSA-N 2 2 357.523 3.686 20 0 FHADLP CCOc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435426735 943405676 /nfs/dbraw/zinc/40/56/76/943405676.db2.gz JFYWPWMWWQVRQK-GOSISDBHSA-N 2 2 357.523 3.686 20 0 FHADLP CSc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423146191 943407204 /nfs/dbraw/zinc/40/72/04/943407204.db2.gz OLHLCGOPZZZIBA-CZAAIQMYSA-N 2 2 357.567 3.559 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423145782 943407295 /nfs/dbraw/zinc/40/72/95/943407295.db2.gz MKPDEOHHANNFAP-PBEJRMEISA-N 2 2 354.519 3.967 20 0 FHADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000435428380 943407335 /nfs/dbraw/zinc/40/73/35/943407335.db2.gz QLPJOSVWTCQNJD-OAHLLOKOSA-N 2 2 365.930 3.725 20 0 FHADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000435428380 943407339 /nfs/dbraw/zinc/40/73/39/943407339.db2.gz QLPJOSVWTCQNJD-OAHLLOKOSA-N 2 2 365.930 3.725 20 0 FHADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423175029 943427211 /nfs/dbraw/zinc/42/72/11/943427211.db2.gz CPOFQXTVWORRFI-MRXNPFEDSA-N 2 2 364.555 3.715 20 0 FHADLP Clc1ccccc1[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423211025 943433048 /nfs/dbraw/zinc/43/30/48/943433048.db2.gz KOFHFMZNCJBHLB-VFNWGFHPSA-N 2 2 372.896 3.790 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423237737 943444164 /nfs/dbraw/zinc/44/41/64/943444164.db2.gz IMCQZSQDAVBNAW-UWJYYQICSA-N 2 2 353.510 3.841 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000423294138 943475238 /nfs/dbraw/zinc/47/52/38/943475238.db2.gz TUNOVUGFKCZBTM-VLIAUNLRSA-N 2 2 354.885 3.972 20 0 FHADLP COCCc1cc[nH+]c(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584721000 943484338 /nfs/dbraw/zinc/48/43/38/943484338.db2.gz YXOVOTBWLFLRHN-FQEVSTJZSA-N 2 2 351.494 3.880 20 0 FHADLP COCCc1cc[nH+]c(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584721000 943484341 /nfs/dbraw/zinc/48/43/41/943484341.db2.gz YXOVOTBWLFLRHN-FQEVSTJZSA-N 2 2 351.494 3.880 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000423342123 943484687 /nfs/dbraw/zinc/48/46/87/943484687.db2.gz VBEYKDKUTLIJBI-DBVUQKKJSA-N 2 2 370.468 3.566 20 0 FHADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423358933 943491077 /nfs/dbraw/zinc/49/10/77/943491077.db2.gz CMTDFKQBDGGWLH-GZRFBZBPSA-N 2 2 360.448 3.640 20 0 FHADLP COC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430027 943516808 /nfs/dbraw/zinc/51/68/08/943516808.db2.gz PGHLNTMTYMNTFS-UWJYYQICSA-N 2 2 371.550 3.854 20 0 FHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000660189598 943516969 /nfs/dbraw/zinc/51/69/69/943516969.db2.gz OJKCWOAIFOXIBC-QUCCMNQESA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000660189598 943516970 /nfs/dbraw/zinc/51/69/70/943516970.db2.gz OJKCWOAIFOXIBC-QUCCMNQESA-N 2 2 356.510 3.617 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625728 943526154 /nfs/dbraw/zinc/52/61/54/943526154.db2.gz IZIXGFZPZRTDCT-GOSISDBHSA-N 2 2 367.493 3.881 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625728 943526160 /nfs/dbraw/zinc/52/61/60/943526160.db2.gz IZIXGFZPZRTDCT-GOSISDBHSA-N 2 2 367.493 3.881 20 0 FHADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Cl ZINC000423493430 943536419 /nfs/dbraw/zinc/53/64/19/943536419.db2.gz QAMROJCFRRBDOA-WFASDCNBSA-N 2 2 361.711 3.522 20 0 FHADLP COc1ncc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000284337640 943537423 /nfs/dbraw/zinc/53/74/23/943537423.db2.gz MPVMLOARHZPZBJ-AWEZNQCLSA-N 2 2 356.857 3.839 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496109 943537823 /nfs/dbraw/zinc/53/78/23/943537823.db2.gz DFUOXKXZQMKPIC-JTSKRJEESA-N 3 2 355.526 3.540 20 0 FHADLP Fc1ccc([C@@H](CCSc2ccccc2)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423524308 943546527 /nfs/dbraw/zinc/54/65/27/943546527.db2.gz OGHHGQBHWANIDP-AZUAARDMSA-N 2 2 360.498 3.627 20 0 FHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000417375027 943564748 /nfs/dbraw/zinc/56/47/48/943564748.db2.gz ZZVISCJKTVIWCQ-WZONZLPQSA-N 2 2 350.506 3.943 20 0 FHADLP CCCc1cccc(C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000584781066 943595428 /nfs/dbraw/zinc/59/54/28/943595428.db2.gz COMSUPRLPJNFKC-OAQYLSRUSA-N 2 2 366.553 4.000 20 0 FHADLP CCCc1cccc(C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000584781066 943595436 /nfs/dbraw/zinc/59/54/36/943595436.db2.gz COMSUPRLPJNFKC-OAQYLSRUSA-N 2 2 366.553 4.000 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934444 943739619 /nfs/dbraw/zinc/73/96/19/943739619.db2.gz FXGHLINATLWXBC-QMMLZNLJSA-N 2 2 351.494 3.734 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934444 943739623 /nfs/dbraw/zinc/73/96/23/943739623.db2.gz FXGHLINATLWXBC-QMMLZNLJSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(F)c1 ZINC000424156703 943765823 /nfs/dbraw/zinc/76/58/23/943765823.db2.gz OQFANEIYIPNCMH-MRXNPFEDSA-N 2 2 360.448 3.784 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(F)c1 ZINC000424156703 943765825 /nfs/dbraw/zinc/76/58/25/943765825.db2.gz OQFANEIYIPNCMH-MRXNPFEDSA-N 2 2 360.448 3.784 20 0 FHADLP [NH3+][C@H](CCC(=O)NCc1ccccc1-n1cc[nH+]c1)CC1CCCCC1 ZINC000424197723 943783552 /nfs/dbraw/zinc/78/35/52/943783552.db2.gz WVQOOHSSBLCKLN-LJQANCHMSA-N 2 2 354.498 3.566 20 0 FHADLP C[C@@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[NH2+]C1 ZINC000515380779 943844189 /nfs/dbraw/zinc/84/41/89/943844189.db2.gz HDOSPUIEZDDWCJ-DLBZAZTESA-N 2 2 364.493 3.566 20 0 FHADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000516972847 943872889 /nfs/dbraw/zinc/87/28/89/943872889.db2.gz LQLRWMPMRIHJQK-UHFFFAOYSA-N 2 2 372.538 3.569 20 0 FHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000504928433 943925893 /nfs/dbraw/zinc/92/58/93/943925893.db2.gz AWFUKOIOLFJBPW-ZNLUXHQJSA-N 2 2 350.506 3.552 20 0 FHADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000504928433 943925896 /nfs/dbraw/zinc/92/58/96/943925896.db2.gz AWFUKOIOLFJBPW-ZNLUXHQJSA-N 2 2 350.506 3.552 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)C1 ZINC000437781709 944094334 /nfs/dbraw/zinc/09/43/34/944094334.db2.gz FKCCSWMOLORHMY-OFQRWUPVSA-N 2 2 356.436 3.755 20 0 FHADLP CCC([NH3+])(CC)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414815853 944128092 /nfs/dbraw/zinc/12/80/92/944128092.db2.gz YNGPTAPRISLOAI-UHFFFAOYSA-N 2 2 354.420 3.557 20 0 FHADLP C[C@H]1SCC[N@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195895 /nfs/dbraw/zinc/19/58/95/944195895.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[N@@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195899 /nfs/dbraw/zinc/19/58/99/944195899.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195903 /nfs/dbraw/zinc/19/59/03/944195903.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@H]1C ZINC000515772308 944195904 /nfs/dbraw/zinc/19/59/04/944195904.db2.gz WOUXMKZVNCETEW-LUKYLMHMSA-N 2 2 365.612 3.733 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287686 /nfs/dbraw/zinc/28/76/86/944287686.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287694 /nfs/dbraw/zinc/28/76/94/944287694.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287698 /nfs/dbraw/zinc/28/76/98/944287698.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475102 944287704 /nfs/dbraw/zinc/28/77/04/944287704.db2.gz SFNWXMYQYQWEOZ-XSDIEEQYSA-N 2 2 363.590 3.752 20 0 FHADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)O[C@@H](C)C2 ZINC000027218116 944333576 /nfs/dbraw/zinc/33/35/76/944333576.db2.gz NIDOWNDVNBUURT-KRWDZBQOSA-N 2 2 366.505 3.557 20 0 FHADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCc3ccccc3C1)O[C@@H](C)C2 ZINC000027218116 944333584 /nfs/dbraw/zinc/33/35/84/944333584.db2.gz NIDOWNDVNBUURT-KRWDZBQOSA-N 2 2 366.505 3.557 20 0 FHADLP CCc1noc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836624 944350219 /nfs/dbraw/zinc/35/02/19/944350219.db2.gz BKQXWPHPPPEGCY-OAQYLSRUSA-N 2 2 368.525 3.755 20 0 FHADLP CCc1noc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836624 944350228 /nfs/dbraw/zinc/35/02/28/944350228.db2.gz BKQXWPHPPPEGCY-OAQYLSRUSA-N 2 2 368.525 3.755 20 0 FHADLP CCc1noc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836623 944350406 /nfs/dbraw/zinc/35/04/06/944350406.db2.gz BKQXWPHPPPEGCY-NRFANRHFSA-N 2 2 368.525 3.755 20 0 FHADLP CCc1noc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836623 944350414 /nfs/dbraw/zinc/35/04/14/944350414.db2.gz BKQXWPHPPPEGCY-NRFANRHFSA-N 2 2 368.525 3.755 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000364331564 944361978 /nfs/dbraw/zinc/36/19/78/944361978.db2.gz ZQMBSYOITMPACB-LJQANCHMSA-N 2 2 366.509 3.753 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000364331564 944361983 /nfs/dbraw/zinc/36/19/83/944361983.db2.gz ZQMBSYOITMPACB-LJQANCHMSA-N 2 2 366.509 3.753 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000436494860 944362600 /nfs/dbraw/zinc/36/26/00/944362600.db2.gz OJEHXBGTXAICEU-QGZVFWFLSA-N 2 2 352.482 3.745 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000436494860 944362604 /nfs/dbraw/zinc/36/26/04/944362604.db2.gz OJEHXBGTXAICEU-QGZVFWFLSA-N 2 2 352.482 3.745 20 0 FHADLP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)N1CC[NH+](C)CC1 ZINC000192648064 944375200 /nfs/dbraw/zinc/37/52/00/944375200.db2.gz CNSWXTHWBGZBJH-DYVFJYSZSA-N 2 2 374.356 3.622 20 0 FHADLP C[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCC[NH2+]1 ZINC000517553696 944386733 /nfs/dbraw/zinc/38/67/33/944386733.db2.gz JRWDVQBWJQCJPB-UWJYYQICSA-N 2 2 361.493 3.555 20 0 FHADLP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426321801 944454766 /nfs/dbraw/zinc/45/47/66/944454766.db2.gz FVMBHTOVOVFAKM-INIZCTEOSA-N 2 2 358.445 3.575 20 0 FHADLP Cc1nc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)oc1C ZINC000364374225 944488836 /nfs/dbraw/zinc/48/88/36/944488836.db2.gz HAHNRWLSHHZBHP-UHFFFAOYSA-N 2 2 357.502 3.614 20 0 FHADLP Cc1nc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)oc1C ZINC000364374225 944488841 /nfs/dbraw/zinc/48/88/41/944488841.db2.gz HAHNRWLSHHZBHP-UHFFFAOYSA-N 2 2 357.502 3.614 20 0 FHADLP CC[N@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000516118183 944502430 /nfs/dbraw/zinc/50/24/30/944502430.db2.gz UHMOUKVHGQVVNL-UHFFFAOYSA-N 2 2 368.447 3.724 20 0 FHADLP CC[N@@H+](CCC[NH+](C)C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000516118183 944502436 /nfs/dbraw/zinc/50/24/36/944502436.db2.gz UHMOUKVHGQVVNL-UHFFFAOYSA-N 2 2 368.447 3.724 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592518 944534273 /nfs/dbraw/zinc/53/42/73/944534273.db2.gz SDINKUVBTVKGII-FXAWDEMLSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592518 944534288 /nfs/dbraw/zinc/53/42/88/944534288.db2.gz SDINKUVBTVKGII-FXAWDEMLSA-N 2 2 352.478 3.773 20 0 FHADLP CC(C)[NH2+]C1(CO)CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000516191625 944564554 /nfs/dbraw/zinc/56/45/54/944564554.db2.gz IFFNPNVQLFTHJQ-UHFFFAOYSA-N 2 2 362.558 3.578 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCc4ccccc43)C2)cc1 ZINC000390612102 944567923 /nfs/dbraw/zinc/56/79/23/944567923.db2.gz XBLAOYQKQJQGEY-GGAORHGYSA-N 2 2 350.506 3.945 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCc4ccccc43)C2)cc1 ZINC000390612102 944567930 /nfs/dbraw/zinc/56/79/30/944567930.db2.gz XBLAOYQKQJQGEY-GGAORHGYSA-N 2 2 350.506 3.945 20 0 FHADLP CSCC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390625964 944582101 /nfs/dbraw/zinc/58/21/01/944582101.db2.gz DCJDCWSKAAJBOE-CBNMVNINSA-N 2 2 362.583 3.789 20 0 FHADLP CSCC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390625964 944582105 /nfs/dbraw/zinc/58/21/05/944582105.db2.gz DCJDCWSKAAJBOE-CBNMVNINSA-N 2 2 362.583 3.789 20 0 FHADLP Fc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000390645307 944610390 /nfs/dbraw/zinc/61/03/90/944610390.db2.gz IEFGBXOYDCEGMI-GOSISDBHSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000390645307 944610393 /nfs/dbraw/zinc/61/03/93/944610393.db2.gz IEFGBXOYDCEGMI-GOSISDBHSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390655740 944650936 /nfs/dbraw/zinc/65/09/36/944650936.db2.gz OPILARVUQRZXLW-GOSISDBHSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390655740 944650939 /nfs/dbraw/zinc/65/09/39/944650939.db2.gz OPILARVUQRZXLW-GOSISDBHSA-N 2 2 362.876 3.860 20 0 FHADLP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)s2)cn1 ZINC000509529242 944713952 /nfs/dbraw/zinc/71/39/52/944713952.db2.gz XIFRNWPVTDJKOO-UHFFFAOYSA-N 2 2 363.490 3.683 20 0 FHADLP CC[N@H+](CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058588 944764839 /nfs/dbraw/zinc/76/48/39/944764839.db2.gz MFEILWMIQVWJDV-FUHWJXTLSA-N 2 2 363.512 3.893 20 0 FHADLP CC[N@@H+](CCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058588 944764849 /nfs/dbraw/zinc/76/48/49/944764849.db2.gz MFEILWMIQVWJDV-FUHWJXTLSA-N 2 2 363.512 3.893 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894358970 944820023 /nfs/dbraw/zinc/82/00/23/944820023.db2.gz KSESYGANRMQQHB-QGZVFWFLSA-N 2 2 350.510 3.755 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000293711149 944891478 /nfs/dbraw/zinc/89/14/78/944891478.db2.gz MTMUYZIYVXMTLA-MRXNPFEDSA-N 2 2 365.456 3.726 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415004985 945018505 /nfs/dbraw/zinc/01/85/05/945018505.db2.gz OMSQXMPEMNNFBZ-XBYSBRQOSA-N 3 2 367.512 3.602 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000437110142 945030929 /nfs/dbraw/zinc/03/09/29/945030929.db2.gz UQENYDJGOAFZKC-KNQAVFIVSA-N 2 2 366.553 3.926 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000437110142 945030936 /nfs/dbraw/zinc/03/09/36/945030936.db2.gz UQENYDJGOAFZKC-KNQAVFIVSA-N 2 2 366.553 3.926 20 0 FHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158854 945038631 /nfs/dbraw/zinc/03/86/31/945038631.db2.gz DIUMLQNGJYLDFY-CXAGYDPISA-N 2 2 364.415 3.622 20 0 FHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158854 945038642 /nfs/dbraw/zinc/03/86/42/945038642.db2.gz DIUMLQNGJYLDFY-CXAGYDPISA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158854 945038651 /nfs/dbraw/zinc/03/86/51/945038651.db2.gz DIUMLQNGJYLDFY-CXAGYDPISA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158854 945038660 /nfs/dbraw/zinc/03/86/60/945038660.db2.gz DIUMLQNGJYLDFY-CXAGYDPISA-N 2 2 364.415 3.622 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000437140626 945063003 /nfs/dbraw/zinc/06/30/03/945063003.db2.gz GQZVWQMVRIQNTI-NRFANRHFSA-N 2 2 360.461 3.898 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000437140626 945063013 /nfs/dbraw/zinc/06/30/13/945063013.db2.gz GQZVWQMVRIQNTI-NRFANRHFSA-N 2 2 360.461 3.898 20 0 FHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OC)cc1OC ZINC000507696410 945460161 /nfs/dbraw/zinc/46/01/61/945460161.db2.gz DJBRVWCXFUWSAD-UHFFFAOYSA-N 2 2 351.450 3.912 20 0 FHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(OC)cc1OC ZINC000507696410 945460165 /nfs/dbraw/zinc/46/01/65/945460165.db2.gz DJBRVWCXFUWSAD-UHFFFAOYSA-N 2 2 351.450 3.912 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3cccnc3)C3CCC3)[nH+]c2)C1 ZINC000280948819 945476830 /nfs/dbraw/zinc/47/68/30/945476830.db2.gz TXANNPLTVUQDRD-CTNGQTDRSA-N 2 2 351.498 3.570 20 0 FHADLP Cc1nc(C[NH+]2CCC(CNc3nc(C)[nH+]c4c3CCCC4)CC2)oc1C ZINC000301558396 945501278 /nfs/dbraw/zinc/50/12/78/945501278.db2.gz JHPBHISBLZZIMF-UHFFFAOYSA-N 2 2 369.513 3.593 20 0 FHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000281408086 945625292 /nfs/dbraw/zinc/62/52/92/945625292.db2.gz ZDAPCJXKGBPMDU-HXUWFJFHSA-N 2 2 351.425 3.856 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683826 /nfs/dbraw/zinc/68/38/26/945683826.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683835 /nfs/dbraw/zinc/68/38/35/945683835.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683842 /nfs/dbraw/zinc/68/38/42/945683842.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(F)c(F)c1 ZINC000893416432 945683847 /nfs/dbraw/zinc/68/38/47/945683847.db2.gz IZHMLZBZKOACCQ-MTURHBOBSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638727513 945707313 /nfs/dbraw/zinc/70/73/13/945707313.db2.gz DVVZIJKJESUHPM-UHFFFAOYSA-N 2 2 360.329 3.555 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000440614184 945709787 /nfs/dbraw/zinc/70/97/87/945709787.db2.gz MRMRKSZSFJIETF-ZFWWWQNUSA-N 2 2 352.404 3.571 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000440614184 945709798 /nfs/dbraw/zinc/70/97/98/945709798.db2.gz MRMRKSZSFJIETF-ZFWWWQNUSA-N 2 2 352.404 3.571 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000651728998 945787403 /nfs/dbraw/zinc/78/74/03/945787403.db2.gz RUIJZSAIOHFFFZ-APWZRJJASA-N 2 2 372.484 3.986 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000651728998 945787406 /nfs/dbraw/zinc/78/74/06/945787406.db2.gz RUIJZSAIOHFFFZ-APWZRJJASA-N 2 2 372.484 3.986 20 0 FHADLP COc1cc(F)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000651724777 945787793 /nfs/dbraw/zinc/78/77/93/945787793.db2.gz GIXSNZCFGBKLJF-SFHVURJKSA-N 2 2 369.440 3.650 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000651728999 945788813 /nfs/dbraw/zinc/78/88/13/945788813.db2.gz RUIJZSAIOHFFFZ-LPHOPBHVSA-N 2 2 372.484 3.986 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000651728999 945788819 /nfs/dbraw/zinc/78/88/19/945788819.db2.gz RUIJZSAIOHFFFZ-LPHOPBHVSA-N 2 2 372.484 3.986 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651734030 945802040 /nfs/dbraw/zinc/80/20/40/945802040.db2.gz ZMWJNBMFKNJPNG-RTFZILSDSA-N 2 2 365.521 3.777 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263458 945916743 /nfs/dbraw/zinc/91/67/43/945916743.db2.gz JTJOTNNGZRKLBE-NQAVQENRSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263458 945916746 /nfs/dbraw/zinc/91/67/46/945916746.db2.gz JTJOTNNGZRKLBE-NQAVQENRSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263458 945916755 /nfs/dbraw/zinc/91/67/55/945916755.db2.gz JTJOTNNGZRKLBE-NQAVQENRSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263458 945916760 /nfs/dbraw/zinc/91/67/60/945916760.db2.gz JTJOTNNGZRKLBE-NQAVQENRSA-N 2 2 363.505 3.894 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000522847441 945984867 /nfs/dbraw/zinc/98/48/67/945984867.db2.gz SVKDJPJVHHLVOX-FQEVSTJZSA-N 2 2 374.488 3.575 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000522847441 945984884 /nfs/dbraw/zinc/98/48/84/945984884.db2.gz SVKDJPJVHHLVOX-FQEVSTJZSA-N 2 2 374.488 3.575 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075574 946109008 /nfs/dbraw/zinc/10/90/08/946109008.db2.gz VYSLNLMVFCYPDV-MOPGFXCFSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075574 946109012 /nfs/dbraw/zinc/10/90/12/946109012.db2.gz VYSLNLMVFCYPDV-MOPGFXCFSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444245022 946120796 /nfs/dbraw/zinc/12/07/96/946120796.db2.gz KAGPKUOQCISDCT-BBWFWOEESA-N 2 2 364.493 3.802 20 0 FHADLP C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444245022 946120798 /nfs/dbraw/zinc/12/07/98/946120798.db2.gz KAGPKUOQCISDCT-BBWFWOEESA-N 2 2 364.493 3.802 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383608 946176573 /nfs/dbraw/zinc/17/65/73/946176573.db2.gz BGPWTGLHLBFOSR-KDOFPFPSSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383608 946176577 /nfs/dbraw/zinc/17/65/77/946176577.db2.gz BGPWTGLHLBFOSR-KDOFPFPSSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000651892496 946182555 /nfs/dbraw/zinc/18/25/55/946182555.db2.gz YSQPNQNXIABMAI-VGSWGCGISA-N 2 2 356.485 3.544 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302778316 946320602 /nfs/dbraw/zinc/32/06/02/946320602.db2.gz GYRHEJRJVQBAFZ-GOSISDBHSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302778316 946320615 /nfs/dbraw/zinc/32/06/15/946320615.db2.gz GYRHEJRJVQBAFZ-GOSISDBHSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302778316 946320631 /nfs/dbraw/zinc/32/06/31/946320631.db2.gz GYRHEJRJVQBAFZ-GOSISDBHSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302778316 946320644 /nfs/dbraw/zinc/32/06/44/946320644.db2.gz GYRHEJRJVQBAFZ-GOSISDBHSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302904721 946378567 /nfs/dbraw/zinc/37/85/67/946378567.db2.gz SCAABQQQKKQTLX-QGZVFWFLSA-N 2 2 351.498 3.714 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302904721 946378580 /nfs/dbraw/zinc/37/85/80/946378580.db2.gz SCAABQQQKKQTLX-QGZVFWFLSA-N 2 2 351.498 3.714 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302920281 946385726 /nfs/dbraw/zinc/38/57/26/946385726.db2.gz ZCPZEABGQRSAKG-KXBFYZLASA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302920281 946385737 /nfs/dbraw/zinc/38/57/37/946385737.db2.gz ZCPZEABGQRSAKG-KXBFYZLASA-N 2 2 357.527 3.633 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302920281 946385744 /nfs/dbraw/zinc/38/57/44/946385744.db2.gz ZCPZEABGQRSAKG-KXBFYZLASA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302920281 946385752 /nfs/dbraw/zinc/38/57/52/946385752.db2.gz ZCPZEABGQRSAKG-KXBFYZLASA-N 2 2 357.527 3.633 20 0 FHADLP Cc1ccc2[nH]c(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000473131951 946408099 /nfs/dbraw/zinc/40/80/99/946408099.db2.gz JRLVUSFOPZTQBD-KDURUIRLSA-N 2 2 368.569 3.775 20 0 FHADLP Cc1ccc2[nH]c(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000473131951 946408110 /nfs/dbraw/zinc/40/81/10/946408110.db2.gz JRLVUSFOPZTQBD-KDURUIRLSA-N 2 2 368.569 3.775 20 0 FHADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCCCCC[NH+]3CCCCC3)c12 ZINC000520331761 946424837 /nfs/dbraw/zinc/42/48/37/946424837.db2.gz FSEUPBRVRFHMCK-UHFFFAOYSA-N 2 2 364.497 3.884 20 0 FHADLP CC[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)(C)C ZINC000428355741 946467539 /nfs/dbraw/zinc/46/75/39/946467539.db2.gz RGMBMJHKWXZDCT-INIZCTEOSA-N 2 2 366.575 3.728 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441363841 946511374 /nfs/dbraw/zinc/51/13/74/946511374.db2.gz KNBUAMPQOFAAJM-QUCCMNQESA-N 2 2 356.514 3.526 20 0 FHADLP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441381752 946537077 /nfs/dbraw/zinc/53/70/77/946537077.db2.gz RAOGJZYKCRDESW-HKUYNNGSSA-N 2 2 356.514 3.524 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000655719725 946642562 /nfs/dbraw/zinc/64/25/62/946642562.db2.gz WIWQZRSNJTWAOB-HTAPYJJXSA-N 2 2 351.494 3.653 20 0 FHADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167994704 946889068 /nfs/dbraw/zinc/88/90/68/946889068.db2.gz LOLDKTKPEDAJOP-YCMWJMFESA-N 2 2 374.532 3.922 20 0 FHADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167994704 946889077 /nfs/dbraw/zinc/88/90/77/946889077.db2.gz LOLDKTKPEDAJOP-YCMWJMFESA-N 2 2 374.532 3.922 20 0 FHADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994704 946889084 /nfs/dbraw/zinc/88/90/84/946889084.db2.gz LOLDKTKPEDAJOP-YCMWJMFESA-N 2 2 374.532 3.922 20 0 FHADLP c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167994704 946889093 /nfs/dbraw/zinc/88/90/93/946889093.db2.gz LOLDKTKPEDAJOP-YCMWJMFESA-N 2 2 374.532 3.922 20 0 FHADLP COCc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000475339424 946908723 /nfs/dbraw/zinc/90/87/23/946908723.db2.gz QLLAEZVCKUNPIY-UHFFFAOYSA-N 2 2 356.432 3.728 20 0 FHADLP C[C@H]1CC([NH+]2CCC3(CCC(=O)O3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168063928 947045292 /nfs/dbraw/zinc/04/52/92/947045292.db2.gz OFCDSVULHFVYMA-ROUUACIJSA-N 2 2 356.510 3.600 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655712125 947055386 /nfs/dbraw/zinc/05/53/86/947055386.db2.gz QGPFAOBZXSGADJ-KDURUIRLSA-N 2 2 366.553 3.987 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655712125 947055398 /nfs/dbraw/zinc/05/53/98/947055398.db2.gz QGPFAOBZXSGADJ-KDURUIRLSA-N 2 2 366.553 3.987 20 0 FHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccccc1 ZINC000444808223 947222072 /nfs/dbraw/zinc/22/20/72/947222072.db2.gz PWZDPRCBQLDECS-NRFANRHFSA-N 2 2 365.477 3.523 20 0 FHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)COc1ccccc1 ZINC000444808223 947222082 /nfs/dbraw/zinc/22/20/82/947222082.db2.gz PWZDPRCBQLDECS-NRFANRHFSA-N 2 2 365.477 3.523 20 0 FHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)ccc2[nH+]1 ZINC000523424735 947236751 /nfs/dbraw/zinc/23/67/51/947236751.db2.gz LWEZEAFESKVZIM-HUUCEWRRSA-N 2 2 357.502 3.521 20 0 FHADLP Fc1ccc2c(NCc3cccc(C[NH+]4CCOCC4)c3)cc[nH+]c2c1 ZINC000301251074 947251408 /nfs/dbraw/zinc/25/14/08/947251408.db2.gz JDWIECAOWDAONJ-UHFFFAOYSA-N 2 2 351.425 3.818 20 0 FHADLP O[C@@H](C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccccc1 ZINC000301324892 947286048 /nfs/dbraw/zinc/28/60/48/947286048.db2.gz YAJKRVXHDOFEAW-NRFANRHFSA-N 2 2 367.880 3.744 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC([NH+](C)C)CC1 ZINC000301332380 947289588 /nfs/dbraw/zinc/28/95/88/947289588.db2.gz FADOIZNSJBPXMY-UHFFFAOYSA-N 2 2 355.482 3.559 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000248498567 947299804 /nfs/dbraw/zinc/29/98/04/947299804.db2.gz MHGCVAUMAGCUCE-MPGHIAIKSA-N 2 2 354.922 3.833 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000248498567 947299813 /nfs/dbraw/zinc/29/98/13/947299813.db2.gz MHGCVAUMAGCUCE-MPGHIAIKSA-N 2 2 354.922 3.833 20 0 FHADLP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1F ZINC000662163505 947393470 /nfs/dbraw/zinc/39/34/70/947393470.db2.gz QYKQJMFBICJTAZ-NRFANRHFSA-N 2 2 360.448 3.774 20 0 FHADLP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)cc1F ZINC000662163508 947393549 /nfs/dbraw/zinc/39/35/49/947393549.db2.gz QYKQJMFBICJTAZ-OAQYLSRUSA-N 2 2 360.448 3.774 20 0 FHADLP COCCC1(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000189051742 947587723 /nfs/dbraw/zinc/58/77/23/947587723.db2.gz RWFAIYVDJRKDRY-UHFFFAOYSA-N 2 2 360.542 3.595 20 0 FHADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000445271599 947651320 /nfs/dbraw/zinc/65/13/20/947651320.db2.gz DKXVIBUNSDORNQ-SFHVURJKSA-N 2 2 354.494 3.928 20 0 FHADLP C[C@@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000445271599 947651324 /nfs/dbraw/zinc/65/13/24/947651324.db2.gz DKXVIBUNSDORNQ-SFHVURJKSA-N 2 2 354.494 3.928 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC000662325687 947751289 /nfs/dbraw/zinc/75/12/89/947751289.db2.gz IDFZWCNSEZSCKR-JOCHJYFZSA-N 2 2 368.521 3.808 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC000662325687 947751293 /nfs/dbraw/zinc/75/12/93/947751293.db2.gz IDFZWCNSEZSCKR-JOCHJYFZSA-N 2 2 368.521 3.808 20 0 FHADLP CC(C)c1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cs1 ZINC000662326897 947758617 /nfs/dbraw/zinc/75/86/17/947758617.db2.gz GTDBGJDTIGOOKM-UHFFFAOYSA-N 2 2 373.570 3.836 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000459071191 948029989 /nfs/dbraw/zinc/02/99/89/948029989.db2.gz GZFMCRMUUXXNOG-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000459071191 948029999 /nfs/dbraw/zinc/02/99/99/948029999.db2.gz GZFMCRMUUXXNOG-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1)CC1CC1 ZINC000459081410 948037980 /nfs/dbraw/zinc/03/79/80/948037980.db2.gz QUILXBRGAIWZNP-UHFFFAOYSA-N 2 2 372.557 3.742 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1)CC1CC1 ZINC000459081410 948037988 /nfs/dbraw/zinc/03/79/88/948037988.db2.gz QUILXBRGAIWZNP-UHFFFAOYSA-N 2 2 372.557 3.742 20 0 FHADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459080836 948038751 /nfs/dbraw/zinc/03/87/51/948038751.db2.gz QJMBVRADAZZDKO-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459080836 948038760 /nfs/dbraw/zinc/03/87/60/948038760.db2.gz QJMBVRADAZZDKO-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465088 948046682 /nfs/dbraw/zinc/04/66/82/948046682.db2.gz HZBXJTUSNGUULI-MJGOQNOKSA-N 2 2 352.526 3.860 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465088 948046687 /nfs/dbraw/zinc/04/66/87/948046687.db2.gz HZBXJTUSNGUULI-MJGOQNOKSA-N 2 2 352.526 3.860 20 0 FHADLP COCCSc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512008709 948172295 /nfs/dbraw/zinc/17/22/95/948172295.db2.gz NIXUYAQYXABNKW-AWEZNQCLSA-N 2 2 365.568 3.794 20 0 FHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc(OC(F)(F)F)c1 ZINC000512033017 948236648 /nfs/dbraw/zinc/23/66/48/948236648.db2.gz XTPIXZDEZZHUEJ-NSHDSACASA-N 2 2 359.417 3.954 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420721 948375566 /nfs/dbraw/zinc/37/55/66/948375566.db2.gz LVYHTURQYTXECT-AXIYNFMDSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420721 948375573 /nfs/dbraw/zinc/37/55/73/948375573.db2.gz LVYHTURQYTXECT-AXIYNFMDSA-N 2 2 359.558 3.865 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000512083227 948379396 /nfs/dbraw/zinc/37/93/96/948379396.db2.gz OMWDXBLKVGGCBV-CQSZACIVSA-N 2 2 355.320 3.668 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000512083227 948379403 /nfs/dbraw/zinc/37/94/03/948379403.db2.gz OMWDXBLKVGGCBV-CQSZACIVSA-N 2 2 355.320 3.668 20 0 FHADLP CC1CC[NH+]([C@H](CNCc2ncc(C[NH+](C)C)s2)c2ccccc2)CC1 ZINC000512101525 948420028 /nfs/dbraw/zinc/42/00/28/948420028.db2.gz ZWWVVAWIMXZGJQ-HXUWFJFHSA-N 2 2 372.582 3.768 20 0 FHADLP C[NH+](C)[C@@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCSC1 ZINC000432441099 948434087 /nfs/dbraw/zinc/43/40/87/948434087.db2.gz JPJPVTJPDPHWKL-BDVYOWHSSA-N 2 2 369.372 3.722 20 0 FHADLP COc1cc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1OC(C)C ZINC000512113374 948452964 /nfs/dbraw/zinc/45/29/64/948452964.db2.gz IPCJEWNTVZMTPE-CQSZACIVSA-N 2 2 363.527 3.851 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2ccc(Br)cc2)s1 ZINC000512133342 948513329 /nfs/dbraw/zinc/51/33/29/948513329.db2.gz VNKWBWJEXOSAGC-UHFFFAOYSA-N 2 2 368.344 3.992 20 0 FHADLP C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000512183084 948707489 /nfs/dbraw/zinc/70/74/89/948707489.db2.gz UNXFIZCOZXVKNL-UHFFFAOYSA-N 2 2 359.433 3.597 20 0 FHADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000512183084 948707496 /nfs/dbraw/zinc/70/74/96/948707496.db2.gz UNXFIZCOZXVKNL-UHFFFAOYSA-N 2 2 359.433 3.597 20 0 FHADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000434513331 948800829 /nfs/dbraw/zinc/80/08/29/948800829.db2.gz JWRBOGRJVZPYBP-IBGZPJMESA-N 2 2 366.509 3.518 20 0 FHADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000434513331 948800848 /nfs/dbraw/zinc/80/08/48/948800848.db2.gz JWRBOGRJVZPYBP-IBGZPJMESA-N 2 2 366.509 3.518 20 0 FHADLP C[NH+]1CCN(c2ccc(NCc3ccsc3C(F)(F)F)[nH+]c2)CC1 ZINC000527643315 517817383 /nfs/dbraw/zinc/81/73/83/517817383.db2.gz YKFPLNGZYQGQBI-UHFFFAOYSA-N 2 2 356.417 3.526 20 0 FHADLP COC(=O)c1cnc(C2CC[NH+](Cc3c(C)cc(C)[nH+]c3C)CC2)s1 ZINC000602915705 568012105 /nfs/dbraw/zinc/01/21/05/568012105.db2.gz JFBZGHWBPQDYOO-UHFFFAOYSA-N 2 2 359.495 3.630 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602709458 568018862 /nfs/dbraw/zinc/01/88/62/568018862.db2.gz UDKBNFBPVGZRKB-KFCQNBLZSA-N 2 2 360.567 3.634 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602709458 568018863 /nfs/dbraw/zinc/01/88/63/568018863.db2.gz UDKBNFBPVGZRKB-KFCQNBLZSA-N 2 2 360.567 3.634 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ncc(Br)cc1F ZINC000186942881 568026081 /nfs/dbraw/zinc/02/60/81/568026081.db2.gz KOQNUEJICWJOFT-OLZOCXBDSA-N 2 2 358.299 3.898 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ncc(Br)cc1F ZINC000186942881 568026082 /nfs/dbraw/zinc/02/60/82/568026082.db2.gz KOQNUEJICWJOFT-OLZOCXBDSA-N 2 2 358.299 3.898 20 0 FHADLP C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000603883854 568176736 /nfs/dbraw/zinc/17/67/36/568176736.db2.gz LEOUSCVBSXXEQB-KRWDZBQOSA-N 2 2 362.477 3.616 20 0 FHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331334 568250963 /nfs/dbraw/zinc/25/09/63/568250963.db2.gz FYMZOYQVFZJKAE-CTNGQTDRSA-N 2 2 363.590 3.514 20 0 FHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331334 568250964 /nfs/dbraw/zinc/25/09/64/568250964.db2.gz FYMZOYQVFZJKAE-CTNGQTDRSA-N 2 2 363.590 3.514 20 0 FHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555657 598249380 /nfs/dbraw/zinc/24/93/80/598249380.db2.gz PBNNSVRMGURTAG-INIZCTEOSA-N 2 2 373.464 3.636 20 0 FHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555657 598249382 /nfs/dbraw/zinc/24/93/82/598249382.db2.gz PBNNSVRMGURTAG-INIZCTEOSA-N 2 2 373.464 3.636 20 0 FHADLP CCCc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164624336 719087364 /nfs/dbraw/zinc/08/73/64/719087364.db2.gz FKHSGKUEQFHZHH-PZJWPPBQSA-N 2 2 350.510 3.838 20 0 FHADLP CCCc1cc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(C)[nH+]1 ZINC001164624336 719087370 /nfs/dbraw/zinc/08/73/70/719087370.db2.gz FKHSGKUEQFHZHH-PZJWPPBQSA-N 2 2 350.510 3.838 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807960 720111002 /nfs/dbraw/zinc/11/10/02/720111002.db2.gz DBVLFHZPDXQYRW-AUSIDOKSSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807960 720111012 /nfs/dbraw/zinc/11/10/12/720111012.db2.gz DBVLFHZPDXQYRW-AUSIDOKSSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813834 720118577 /nfs/dbraw/zinc/11/85/77/720118577.db2.gz RCPURLOYHPSJHZ-AUSIDOKSSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c(C)cccc31)C2 ZINC001164813834 720118583 /nfs/dbraw/zinc/11/85/83/720118583.db2.gz RCPURLOYHPSJHZ-AUSIDOKSSA-N 2 2 365.521 3.728 20 0 FHADLP COc1ccc(C)[nH+]c1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792589 721494973 /nfs/dbraw/zinc/49/49/73/721494973.db2.gz RTDYTOYNVVQHJL-UHFFFAOYSA-N 2 2 366.509 3.675 20 0 FHADLP COc1ccc(C)[nH+]c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792589 721494974 /nfs/dbraw/zinc/49/49/74/721494974.db2.gz RTDYTOYNVVQHJL-UHFFFAOYSA-N 2 2 366.509 3.675 20 0 FHADLP CCCc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(C)[nH+]1 ZINC001164955291 722019901 /nfs/dbraw/zinc/01/99/01/722019901.db2.gz DKZIJXMWJBKLDR-UHFFFAOYSA-N 2 2 365.525 3.625 20 0 FHADLP CCCc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(C)[nH+]1 ZINC001164955291 722019903 /nfs/dbraw/zinc/01/99/03/722019903.db2.gz DKZIJXMWJBKLDR-UHFFFAOYSA-N 2 2 365.525 3.625 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000153663604 936367528 /nfs/dbraw/zinc/36/75/28/936367528.db2.gz GOIWIBBNHKHTMP-PWECECGKSA-N 2 2 357.454 3.600 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000426169812 945068963 /nfs/dbraw/zinc/06/89/63/945068963.db2.gz IPEVLZIJIMHQNU-WIYYLYMNSA-N 2 2 368.521 3.976 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1O ZINC000426169812 945068974 /nfs/dbraw/zinc/06/89/74/945068974.db2.gz IPEVLZIJIMHQNU-WIYYLYMNSA-N 2 2 368.521 3.976 20 0 FHADLP CC(C)(C)n1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056729 937084407 /nfs/dbraw/zinc/08/44/07/937084407.db2.gz SROCYOTUGHCGBH-SFTDATJTSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056729 937084409 /nfs/dbraw/zinc/08/44/09/937084409.db2.gz SROCYOTUGHCGBH-SFTDATJTSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056729 937084412 /nfs/dbraw/zinc/08/44/12/937084412.db2.gz SROCYOTUGHCGBH-SFTDATJTSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056729 937084415 /nfs/dbraw/zinc/08/44/15/937084415.db2.gz SROCYOTUGHCGBH-SFTDATJTSA-N 2 2 352.526 3.592 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1F ZINC000153841661 937121006 /nfs/dbraw/zinc/12/10/06/937121006.db2.gz JPJCGLCQVMKIND-GUXCAODWSA-N 2 2 357.473 3.791 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1F ZINC000153841661 937121009 /nfs/dbraw/zinc/12/10/09/937121009.db2.gz JPJCGLCQVMKIND-GUXCAODWSA-N 2 2 357.473 3.791 20 0 FHADLP [NH3+][C@H](CC1CCCCC1)c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000583131148 937153598 /nfs/dbraw/zinc/15/35/98/937153598.db2.gz KTJHLMYHUJOXRC-LJQANCHMSA-N 2 2 370.497 3.539 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000123779098 937180392 /nfs/dbraw/zinc/18/03/92/937180392.db2.gz NURXLXJISHBREV-DYESRHJHSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000123779098 937180395 /nfs/dbraw/zinc/18/03/95/937180395.db2.gz NURXLXJISHBREV-DYESRHJHSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[NH+]1C ZINC000123779098 937180398 /nfs/dbraw/zinc/18/03/98/937180398.db2.gz NURXLXJISHBREV-DYESRHJHSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[NH+]1C ZINC000123779098 937180402 /nfs/dbraw/zinc/18/04/02/937180402.db2.gz NURXLXJISHBREV-DYESRHJHSA-N 2 2 351.494 3.853 20 0 FHADLP FC(F)(F)c1ccn(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)n1 ZINC000079923508 937266652 /nfs/dbraw/zinc/26/66/52/937266652.db2.gz KMDALTJKFJKEGB-UHFFFAOYSA-N 2 2 363.387 3.658 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861330 928883836 /nfs/dbraw/zinc/88/38/36/928883836.db2.gz CYFLWZCSJCCKJF-CVEARBPZSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861330 928883852 /nfs/dbraw/zinc/88/38/52/928883852.db2.gz CYFLWZCSJCCKJF-CVEARBPZSA-N 2 2 359.901 3.807 20 0 FHADLP Cc1ccccc1OCCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167094497 929147094 /nfs/dbraw/zinc/14/70/94/929147094.db2.gz RYHAUHWUNFXEGY-UHFFFAOYSA-N 2 2 368.521 3.728 20 0 FHADLP Cc1ccccc1OCCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001167094497 929147097 /nfs/dbraw/zinc/14/70/97/929147097.db2.gz RYHAUHWUNFXEGY-UHFFFAOYSA-N 2 2 368.521 3.728 20 0 FHADLP Brc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000180188207 929433142 /nfs/dbraw/zinc/43/31/42/929433142.db2.gz UNISGISSTVOZFK-OAHLLOKOSA-N 2 2 374.326 3.915 20 0 FHADLP Brc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000180188207 929433150 /nfs/dbraw/zinc/43/31/50/929433150.db2.gz UNISGISSTVOZFK-OAHLLOKOSA-N 2 2 374.326 3.915 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174562 929653564 /nfs/dbraw/zinc/65/35/64/929653564.db2.gz AUNRTUSLYHAVPB-NEPJUHHUSA-N 2 2 361.711 3.541 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174562 929653569 /nfs/dbraw/zinc/65/35/69/929653569.db2.gz AUNRTUSLYHAVPB-NEPJUHHUSA-N 2 2 361.711 3.541 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)sc1Br ZINC000657752225 937350006 /nfs/dbraw/zinc/35/00/06/937350006.db2.gz NQWMTLABYOQRGP-OCCSQVGLSA-N 2 2 373.360 3.723 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010285 929940945 /nfs/dbraw/zinc/94/09/45/929940945.db2.gz NTURYOJABIKKJN-QZTJIDSGSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010285 929940961 /nfs/dbraw/zinc/94/09/61/929940961.db2.gz NTURYOJABIKKJN-QZTJIDSGSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124372042 930344539 /nfs/dbraw/zinc/34/45/39/930344539.db2.gz KQZIJARQWOGCLI-OAQYLSRUSA-N 2 2 362.477 3.893 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124372042 930344544 /nfs/dbraw/zinc/34/45/44/930344544.db2.gz KQZIJARQWOGCLI-OAQYLSRUSA-N 2 2 362.477 3.893 20 0 FHADLP C[C@@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580363734 930573307 /nfs/dbraw/zinc/57/33/07/930573307.db2.gz LPHZISNSTXTHLC-NQIIRXRSSA-N 2 2 361.493 3.791 20 0 FHADLP C[C@@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580363734 930573311 /nfs/dbraw/zinc/57/33/11/930573311.db2.gz LPHZISNSTXTHLC-NQIIRXRSSA-N 2 2 361.493 3.791 20 0 FHADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc4cc(Cl)cc(Cl)c4o3)C2)CC1 ZINC000683931509 930648341 /nfs/dbraw/zinc/64/83/41/930648341.db2.gz AKFXZBBGWXWGOR-LBPRGKRZSA-N 2 2 369.296 3.715 20 0 FHADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc4cc(Cl)cc(Cl)c4o3)C2)CC1 ZINC000683931509 930648343 /nfs/dbraw/zinc/64/83/43/930648343.db2.gz AKFXZBBGWXWGOR-LBPRGKRZSA-N 2 2 369.296 3.715 20 0 FHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645235 930966868 /nfs/dbraw/zinc/96/68/68/930966868.db2.gz XKTIUDIIJONWGX-MBSDFSHPSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645235 930966882 /nfs/dbraw/zinc/96/68/82/930966882.db2.gz XKTIUDIIJONWGX-MBSDFSHPSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645236 930967006 /nfs/dbraw/zinc/96/70/06/930967006.db2.gz XKTIUDIIJONWGX-WZONZLPQSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645236 930967015 /nfs/dbraw/zinc/96/70/15/930967015.db2.gz XKTIUDIIJONWGX-WZONZLPQSA-N 2 2 361.489 3.522 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813263 931192285 /nfs/dbraw/zinc/19/22/85/931192285.db2.gz ATZVGWCIQMYQJG-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813263 931192286 /nfs/dbraw/zinc/19/22/86/931192286.db2.gz ATZVGWCIQMYQJG-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@H]1CCCC[NH2+]1 ZINC000580827752 931235351 /nfs/dbraw/zinc/23/53/51/931235351.db2.gz JRWDVQBWJQCJPB-DYESRHJHSA-N 2 2 361.493 3.555 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027586 931475960 /nfs/dbraw/zinc/47/59/60/931475960.db2.gz FOCYSJPJMDIICU-AZUAARDMSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027586 931475962 /nfs/dbraw/zinc/47/59/62/931475962.db2.gz FOCYSJPJMDIICU-AZUAARDMSA-N 2 2 361.493 3.583 20 0 FHADLP Fc1cc(Br)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1F ZINC000581076910 931542642 /nfs/dbraw/zinc/54/26/42/931542642.db2.gz LUQCWKFOASPTJV-LBPRGKRZSA-N 2 2 359.258 3.549 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313114756 931738201 /nfs/dbraw/zinc/73/82/01/931738201.db2.gz ZPUSOYXDBWHGJP-TZIWHRDSSA-N 2 2 360.505 3.873 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313114756 931738205 /nfs/dbraw/zinc/73/82/05/931738205.db2.gz ZPUSOYXDBWHGJP-TZIWHRDSSA-N 2 2 360.505 3.873 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313360 931817233 /nfs/dbraw/zinc/81/72/33/931817233.db2.gz CLHCCLNLZCKHSM-QZTJIDSGSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313360 931817243 /nfs/dbraw/zinc/81/72/43/931817243.db2.gz CLHCCLNLZCKHSM-QZTJIDSGSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581313360 931817255 /nfs/dbraw/zinc/81/72/55/931817255.db2.gz CLHCCLNLZCKHSM-QZTJIDSGSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581313360 931817260 /nfs/dbraw/zinc/81/72/60/931817260.db2.gz CLHCCLNLZCKHSM-QZTJIDSGSA-N 2 2 365.587 3.505 20 0 FHADLP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157087787 931829632 /nfs/dbraw/zinc/82/96/32/931829632.db2.gz PTXVECXKEFLNEH-OAQYLSRUSA-N 2 2 357.542 3.523 20 0 FHADLP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157087787 931829636 /nfs/dbraw/zinc/82/96/36/931829636.db2.gz PTXVECXKEFLNEH-OAQYLSRUSA-N 2 2 357.542 3.523 20 0 FHADLP C[N@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430565327 931888948 /nfs/dbraw/zinc/88/89/48/931888948.db2.gz FIZDPVGCPRBJDT-INIZCTEOSA-N 2 2 372.340 3.574 20 0 FHADLP C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430565327 931888951 /nfs/dbraw/zinc/88/89/51/931888951.db2.gz FIZDPVGCPRBJDT-INIZCTEOSA-N 2 2 372.340 3.574 20 0 FHADLP C[N@H+](Cc1ncc(-c2ccccc2Br)o1)CC(C)(C)C[NH3+] ZINC000430569261 931905679 /nfs/dbraw/zinc/90/56/79/931905679.db2.gz DXLCMFNXEVNXPK-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP C[N@@H+](Cc1ncc(-c2ccccc2Br)o1)CC(C)(C)C[NH3+] ZINC000430569261 931905686 /nfs/dbraw/zinc/90/56/86/931905686.db2.gz DXLCMFNXEVNXPK-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430578661 931939340 /nfs/dbraw/zinc/93/93/40/931939340.db2.gz XGUOGAREVHZSHH-LBPRGKRZSA-N 2 2 358.313 3.642 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586456 931964526 /nfs/dbraw/zinc/96/45/26/931964526.db2.gz YKKSWKJIGBYLGP-QWHCGFSZSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586456 931964528 /nfs/dbraw/zinc/96/45/28/931964528.db2.gz YKKSWKJIGBYLGP-QWHCGFSZSA-N 2 2 364.287 3.663 20 0 FHADLP O=C(Nc1ccccc1)c1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430587486 931968235 /nfs/dbraw/zinc/96/82/35/931968235.db2.gz ZRJSHNIHSXGOBX-UHFFFAOYSA-N 2 2 363.505 3.903 20 0 FHADLP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090184900 932277606 /nfs/dbraw/zinc/27/76/06/932277606.db2.gz MWHBCBAQRPHFMN-QFIPXVFZSA-N 2 2 365.521 3.830 20 0 FHADLP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090184900 932277607 /nfs/dbraw/zinc/27/76/07/932277607.db2.gz MWHBCBAQRPHFMN-QFIPXVFZSA-N 2 2 365.521 3.830 20 0 FHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000090187109 932282093 /nfs/dbraw/zinc/28/20/93/932282093.db2.gz UNPZHIMWJYIOCK-FGZHOGPDSA-N 2 2 352.522 3.795 20 0 FHADLP CC1(C)C[C@@H]([NH2+]C[C@@H](CCO)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000090187109 932282097 /nfs/dbraw/zinc/28/20/97/932282097.db2.gz UNPZHIMWJYIOCK-FGZHOGPDSA-N 2 2 352.522 3.795 20 0 FHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000581639330 932364650 /nfs/dbraw/zinc/36/46/50/932364650.db2.gz INWBOCROVMYHNS-CALCHBBNSA-N 2 2 367.940 3.512 20 0 FHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000581639330 932364653 /nfs/dbraw/zinc/36/46/53/932364653.db2.gz INWBOCROVMYHNS-CALCHBBNSA-N 2 2 367.940 3.512 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1F ZINC000656790582 932426947 /nfs/dbraw/zinc/42/69/47/932426947.db2.gz BQOJCYYNECKSJD-RXVVDRJESA-N 2 2 365.452 3.618 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1OC ZINC000581693888 932512104 /nfs/dbraw/zinc/51/21/04/932512104.db2.gz TYBDZUVQGKMRJD-SFHVURJKSA-N 2 2 369.509 3.925 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1OC ZINC000581693888 932512108 /nfs/dbraw/zinc/51/21/08/932512108.db2.gz TYBDZUVQGKMRJD-SFHVURJKSA-N 2 2 369.509 3.925 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCNc4ccccc43)[nH+]c2)C1 ZINC000581753251 932609231 /nfs/dbraw/zinc/60/92/31/932609231.db2.gz PGOHGQOCKNDDGQ-YLJYHZDGSA-N 2 2 351.498 3.581 20 0 FHADLP COc1cccc(-c2csc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000891843831 933556269 /nfs/dbraw/zinc/55/62/69/933556269.db2.gz CDQOEUIICWIWMW-UHFFFAOYSA-N 2 2 354.479 3.921 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)n2)cn1 ZINC000276927533 934024788 /nfs/dbraw/zinc/02/47/88/934024788.db2.gz NSAZGECOWNGNGT-MJBXVCDLSA-N 2 2 352.442 3.560 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)cn1 ZINC000276927533 934024796 /nfs/dbraw/zinc/02/47/96/934024796.db2.gz NSAZGECOWNGNGT-MJBXVCDLSA-N 2 2 352.442 3.560 20 0 FHADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000535806258 934413619 /nfs/dbraw/zinc/41/36/19/934413619.db2.gz MVAQDYXXCHEBMO-ICSRJNTNSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000535806258 934413624 /nfs/dbraw/zinc/41/36/24/934413624.db2.gz MVAQDYXXCHEBMO-ICSRJNTNSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000535806258 934413627 /nfs/dbraw/zinc/41/36/27/934413627.db2.gz MVAQDYXXCHEBMO-ICSRJNTNSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000535806258 934413631 /nfs/dbraw/zinc/41/36/31/934413631.db2.gz MVAQDYXXCHEBMO-ICSRJNTNSA-N 2 2 370.566 3.696 20 0 FHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000507245446 945079384 /nfs/dbraw/zinc/07/93/84/945079384.db2.gz AQQDHTMKGMRKBQ-BRIRTLKKSA-N 2 2 371.569 3.718 20 0 FHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000507245446 945079394 /nfs/dbraw/zinc/07/93/94/945079394.db2.gz AQQDHTMKGMRKBQ-BRIRTLKKSA-N 2 2 371.569 3.718 20 0 FHADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000582065161 935194888 /nfs/dbraw/zinc/19/48/88/935194888.db2.gz BPFIZIDRLGAVIT-WOJBJXKFSA-N 2 2 371.912 3.602 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000582066142 935199719 /nfs/dbraw/zinc/19/97/19/935199719.db2.gz RBLDRENMTMWBAV-OAQYLSRUSA-N 2 2 352.482 3.793 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000582066142 935199724 /nfs/dbraw/zinc/19/97/24/935199724.db2.gz RBLDRENMTMWBAV-OAQYLSRUSA-N 2 2 352.482 3.793 20 0 FHADLP COC(=O)c1cc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000292997494 945090195 /nfs/dbraw/zinc/09/01/95/945090195.db2.gz SLYXFLQIPGKCOP-KGLIPLIRSA-N 2 2 353.422 3.972 20 0 FHADLP COC(=O)c1cc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000292997498 945090521 /nfs/dbraw/zinc/09/05/21/945090521.db2.gz SLYXFLQIPGKCOP-ZIAGYGMSSA-N 2 2 353.422 3.972 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657362362 935364399 /nfs/dbraw/zinc/36/43/99/935364399.db2.gz AUAZFLHIVAWUAP-VQIMIIECSA-N 2 2 364.505 3.594 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657362362 935364404 /nfs/dbraw/zinc/36/44/04/935364404.db2.gz AUAZFLHIVAWUAP-VQIMIIECSA-N 2 2 364.505 3.594 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657362359 935364551 /nfs/dbraw/zinc/36/45/51/935364551.db2.gz AUAZFLHIVAWUAP-APWZRJJASA-N 2 2 364.505 3.594 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@H](C)C1 ZINC000657362359 935364560 /nfs/dbraw/zinc/36/45/60/935364560.db2.gz AUAZFLHIVAWUAP-APWZRJJASA-N 2 2 364.505 3.594 20 0 FHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000277514205 935399325 /nfs/dbraw/zinc/39/93/25/935399325.db2.gz KAXSFQSWALWVAF-UHFFFAOYSA-N 2 2 368.525 3.594 20 0 FHADLP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553572 /nfs/dbraw/zinc/55/35/72/935553572.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 3 2 363.549 3.586 20 0 FHADLP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2)C1 ZINC000647248589 935553579 /nfs/dbraw/zinc/55/35/79/935553579.db2.gz KLBIATJGIHOJBJ-VWNXMTODSA-N 3 2 363.549 3.586 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccsc2S1 ZINC000158466670 935584877 /nfs/dbraw/zinc/58/48/77/935584877.db2.gz USRLLLWJTUDELK-YOEHRIQHSA-N 2 2 374.579 3.610 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000563348769 935668637 /nfs/dbraw/zinc/66/86/37/935668637.db2.gz BBVSXCICNXILLF-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2)C1 ZINC000563348769 935668641 /nfs/dbraw/zinc/66/86/41/935668641.db2.gz BBVSXCICNXILLF-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582420982 935685244 /nfs/dbraw/zinc/68/52/44/935685244.db2.gz RFZKJCRPVWATRJ-MBSDFSHPSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582420982 935685246 /nfs/dbraw/zinc/68/52/46/935685246.db2.gz RFZKJCRPVWATRJ-MBSDFSHPSA-N 2 2 363.505 3.756 20 0 FHADLP Cc1cc(NCc2ccnn2-c2cc[nH+]cc2)c[nH+]c1N1CCCC[C@@H]1C ZINC000657428847 935700439 /nfs/dbraw/zinc/70/04/39/935700439.db2.gz CCXWSBKLIXJPOA-KRWDZBQOSA-N 2 2 362.481 3.962 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000582455495 935732987 /nfs/dbraw/zinc/73/29/87/935732987.db2.gz WQAOHCASSDQJPA-UHFFFAOYSA-N 2 2 360.461 3.890 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000431429251 935782213 /nfs/dbraw/zinc/78/22/13/935782213.db2.gz YJVODKYUTSXARR-AEFFLSMTSA-N 2 2 360.383 3.848 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000431429251 935782216 /nfs/dbraw/zinc/78/22/16/935782216.db2.gz YJVODKYUTSXARR-AEFFLSMTSA-N 2 2 360.383 3.848 20 0 FHADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC(F)(F)F)cc1 ZINC000511790570 945127666 /nfs/dbraw/zinc/12/76/66/945127666.db2.gz HTLYLNVSAGVSNZ-NSHDSACASA-N 2 2 359.417 3.954 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000152846259 935871165 /nfs/dbraw/zinc/87/11/65/935871165.db2.gz KSDZIFMLFHVFHS-AWEZNQCLSA-N 2 2 363.427 3.857 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCC2 ZINC000152852828 935871839 /nfs/dbraw/zinc/87/18/39/935871839.db2.gz HHDRATIZGNBEIY-GOSISDBHSA-N 2 2 370.566 3.775 20 0 FHADLP c1cc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793819 945130724 /nfs/dbraw/zinc/13/07/24/945130724.db2.gz RHIPFEFWWYABGD-NRFANRHFSA-N 2 2 350.462 3.814 20 0 FHADLP c1cc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793819 945130728 /nfs/dbraw/zinc/13/07/28/945130728.db2.gz RHIPFEFWWYABGD-NRFANRHFSA-N 2 2 350.462 3.814 20 0 FHADLP FC(F)(F)[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC1CCCC1 ZINC000657586539 936065401 /nfs/dbraw/zinc/06/54/01/936065401.db2.gz JXSBXGAKFMDMPA-OAHLLOKOSA-N 2 2 359.417 3.914 20 0 FHADLP FC(F)(F)[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)OC1CCCC1 ZINC000657586538 936065528 /nfs/dbraw/zinc/06/55/28/936065528.db2.gz JXSBXGAKFMDMPA-HNNXBMFYSA-N 2 2 359.417 3.914 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000582872674 936243145 /nfs/dbraw/zinc/24/31/45/936243145.db2.gz GOUBFWGEJWMZPR-UHFFFAOYSA-N 2 2 357.889 3.861 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000582872674 936243147 /nfs/dbraw/zinc/24/31/47/936243147.db2.gz GOUBFWGEJWMZPR-UHFFFAOYSA-N 2 2 357.889 3.861 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000582933553 936304792 /nfs/dbraw/zinc/30/47/92/936304792.db2.gz JFRXRFGUYLNYLN-SNVBAGLBSA-N 2 2 362.193 3.843 20 0 FHADLP c1cncc(COc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)c1 ZINC000506418269 945159646 /nfs/dbraw/zinc/15/96/46/945159646.db2.gz VYWKYJCFRWIATO-UHFFFAOYSA-N 2 2 351.494 3.721 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156358204 938251647 /nfs/dbraw/zinc/25/16/47/938251647.db2.gz SXDNRZQWCXSQOU-AVRDEDQJSA-N 2 2 362.521 3.996 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156358204 938251648 /nfs/dbraw/zinc/25/16/48/938251648.db2.gz SXDNRZQWCXSQOU-AVRDEDQJSA-N 2 2 362.521 3.996 20 0 FHADLP CC(C)C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccncc1 ZINC000647297417 938288203 /nfs/dbraw/zinc/28/82/03/938288203.db2.gz BRWYYNKRJZBOAD-VQTJNVASSA-N 2 2 353.514 3.816 20 0 FHADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774369 938317031 /nfs/dbraw/zinc/31/70/31/938317031.db2.gz YMJQYRGMAJJHMV-HXUWFJFHSA-N 2 2 352.526 3.856 20 0 FHADLP CC(C)n1ccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774369 938317032 /nfs/dbraw/zinc/31/70/32/938317032.db2.gz YMJQYRGMAJJHMV-HXUWFJFHSA-N 2 2 352.526 3.856 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703519 938365908 /nfs/dbraw/zinc/36/59/08/938365908.db2.gz ADMNBEZEACTWCF-DLBZAZTESA-N 2 2 354.523 3.959 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703519 938365909 /nfs/dbraw/zinc/36/59/09/938365909.db2.gz ADMNBEZEACTWCF-DLBZAZTESA-N 2 2 354.523 3.959 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247563017 938484617 /nfs/dbraw/zinc/48/46/17/938484617.db2.gz GGHQCUAVXAKSNV-QZTJIDSGSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247563017 938484618 /nfs/dbraw/zinc/48/46/18/938484618.db2.gz GGHQCUAVXAKSNV-QZTJIDSGSA-N 2 2 354.498 3.726 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)(C)C(F)F)CC2)c1 ZINC000657828347 938600004 /nfs/dbraw/zinc/60/00/04/938600004.db2.gz SCWXZPVLOUQBSC-QGZVFWFLSA-N 2 2 353.501 3.777 20 0 FHADLP C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000584110970 938605406 /nfs/dbraw/zinc/60/54/06/938605406.db2.gz CTMNTJCFWWSEHT-YJBOKZPZSA-N 2 2 372.538 3.650 20 0 FHADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000080960244 938710483 /nfs/dbraw/zinc/71/04/83/938710483.db2.gz XDBATMIHCCWQCP-MRXNPFEDSA-N 2 2 369.444 3.719 20 0 FHADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000080960244 938710485 /nfs/dbraw/zinc/71/04/85/938710485.db2.gz XDBATMIHCCWQCP-MRXNPFEDSA-N 2 2 369.444 3.719 20 0 FHADLP C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968599 938710693 /nfs/dbraw/zinc/71/06/93/938710693.db2.gz RHPFJDXREZFHTO-UHFFFAOYSA-N 2 2 366.440 3.977 20 0 FHADLP C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968599 938710695 /nfs/dbraw/zinc/71/06/95/938710695.db2.gz RHPFJDXREZFHTO-UHFFFAOYSA-N 2 2 366.440 3.977 20 0 FHADLP C[N@H+](CCC(=O)Nc1ccccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968601 938710883 /nfs/dbraw/zinc/71/08/83/938710883.db2.gz ARSYBXPCSNLJPJ-UHFFFAOYSA-N 2 2 372.900 3.664 20 0 FHADLP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968601 938710885 /nfs/dbraw/zinc/71/08/85/938710885.db2.gz ARSYBXPCSNLJPJ-UHFFFAOYSA-N 2 2 372.900 3.664 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000151879395 938810783 /nfs/dbraw/zinc/81/07/83/938810783.db2.gz YQPOHDUJWAJFMF-XFQAVAEZSA-N 2 2 359.464 3.964 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc(F)cc1F ZINC000151879395 938810785 /nfs/dbraw/zinc/81/07/85/938810785.db2.gz YQPOHDUJWAJFMF-XFQAVAEZSA-N 2 2 359.464 3.964 20 0 FHADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000089667811 938862512 /nfs/dbraw/zinc/86/25/12/938862512.db2.gz BUFCWFHMWBIXFE-JOCHJYFZSA-N 2 2 356.485 3.810 20 0 FHADLP CC(C)c1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000090102541 938876168 /nfs/dbraw/zinc/87/61/68/938876168.db2.gz DDOVKCJGEWPQSU-UHFFFAOYSA-N 2 2 360.546 3.805 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1 ZINC000090115609 938876737 /nfs/dbraw/zinc/87/67/37/938876737.db2.gz VSZNJSLGSPHQSZ-DYESRHJHSA-N 2 2 355.526 3.567 20 0 FHADLP COC(=O)c1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cn1C ZINC000584439213 938883757 /nfs/dbraw/zinc/88/37/57/938883757.db2.gz KFXMKAUUOWUICT-QGZVFWFLSA-N 2 2 369.509 3.565 20 0 FHADLP CCOc1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066106 938910447 /nfs/dbraw/zinc/91/04/47/938910447.db2.gz VJVHTTNMVSCFNA-NQIIRXRSSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066106 938910449 /nfs/dbraw/zinc/91/04/49/938910449.db2.gz VJVHTTNMVSCFNA-NQIIRXRSSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066106 938910450 /nfs/dbraw/zinc/91/04/50/938910450.db2.gz VJVHTTNMVSCFNA-NQIIRXRSSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066106 938910451 /nfs/dbraw/zinc/91/04/51/938910451.db2.gz VJVHTTNMVSCFNA-NQIIRXRSSA-N 2 2 374.573 3.695 20 0 FHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3nc(C4CC4)ns3)cc2)CC1 ZINC000092656236 938916989 /nfs/dbraw/zinc/91/69/89/938916989.db2.gz SBHIJLOBZYWXLI-UHFFFAOYSA-N 2 2 357.527 3.937 20 0 FHADLP C[N@H+](Cc1ccccc1OC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000294968277 945219970 /nfs/dbraw/zinc/21/99/70/945219970.db2.gz LNYCLTJSHADGTH-UHFFFAOYSA-N 2 2 365.521 3.762 20 0 FHADLP C[N@@H+](Cc1ccccc1OC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000294968277 945219979 /nfs/dbraw/zinc/21/99/79/945219979.db2.gz LNYCLTJSHADGTH-UHFFFAOYSA-N 2 2 365.521 3.762 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000144681916 938951749 /nfs/dbraw/zinc/95/17/49/938951749.db2.gz JUEWOZZEVXTOKI-ICSRJNTNSA-N 2 2 354.498 3.503 20 0 FHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000363528699 938966820 /nfs/dbraw/zinc/96/68/20/938966820.db2.gz QXQIBPFVSTUZRI-FOIQADDNSA-N 2 2 359.539 3.598 20 0 FHADLP COCc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000363528699 938966821 /nfs/dbraw/zinc/96/68/21/938966821.db2.gz QXQIBPFVSTUZRI-FOIQADDNSA-N 2 2 359.539 3.598 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000685424156 938985628 /nfs/dbraw/zinc/98/56/28/938985628.db2.gz OVOFFXGPLLXOOR-UHFFFAOYSA-N 2 2 352.469 3.690 20 0 FHADLP CCCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000685460302 938988402 /nfs/dbraw/zinc/98/84/02/938988402.db2.gz JXMSRHKEHBDUAT-CBQGHPETSA-N 2 2 371.569 3.608 20 0 FHADLP CCCCOc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000685460302 938988403 /nfs/dbraw/zinc/98/84/03/938988403.db2.gz JXMSRHKEHBDUAT-CBQGHPETSA-N 2 2 371.569 3.608 20 0 FHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000563951277 938996299 /nfs/dbraw/zinc/99/62/99/938996299.db2.gz VSTSEEMVQASTCQ-KURKYZTESA-N 2 2 355.869 3.570 20 0 FHADLP O=C(NC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)C1CCCCC1 ZINC000101546985 939014270 /nfs/dbraw/zinc/01/42/70/939014270.db2.gz WBYXQPWQGRRBOC-UHFFFAOYSA-N 2 2 366.509 3.533 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)C(C)(C)C(F)F)CC2)cc1 ZINC000658029165 939018819 /nfs/dbraw/zinc/01/88/19/939018819.db2.gz HKXCQHIHZQNCGZ-AWEZNQCLSA-N 2 2 367.484 3.879 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)C(C)(C)C(F)F)CC2)cc1 ZINC000658029166 939018839 /nfs/dbraw/zinc/01/88/39/939018839.db2.gz HKXCQHIHZQNCGZ-CQSZACIVSA-N 2 2 367.484 3.879 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658055068 939020952 /nfs/dbraw/zinc/02/09/52/939020952.db2.gz HVLPQPHVAMXRKT-KBPBESRZSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658055068 939020953 /nfs/dbraw/zinc/02/09/53/939020953.db2.gz HVLPQPHVAMXRKT-KBPBESRZSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658100126 939025869 /nfs/dbraw/zinc/02/58/69/939025869.db2.gz GLXJCECLMUBGHI-WIYYLYMNSA-N 2 2 356.558 3.815 20 0 FHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295624 939101593 /nfs/dbraw/zinc/10/15/93/939101593.db2.gz TWUJRVGPQZQJHR-WIYYLYMNSA-N 2 2 358.526 3.867 20 0 FHADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295617 939101760 /nfs/dbraw/zinc/10/17/60/939101760.db2.gz TWUJRVGPQZQJHR-GHTZIAJQSA-N 2 2 358.526 3.867 20 0 FHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658296313 939102243 /nfs/dbraw/zinc/10/22/43/939102243.db2.gz YTGDNVOOQPZJPX-FPOVZHCZSA-N 2 2 358.526 3.867 20 0 FHADLP C[C@H]1CCC[C@H]([NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)C1 ZINC000519231045 945237013 /nfs/dbraw/zinc/23/70/13/945237013.db2.gz ZDSMJOQLGLTMNO-PXNSSMCTSA-N 2 2 353.514 3.781 20 0 FHADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000507496630 945268305 /nfs/dbraw/zinc/26/83/05/945268305.db2.gz OWQPTOIHOFGHOO-IRXDYDNUSA-N 2 2 370.516 3.947 20 0 FHADLP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2c(c1)OCO2 ZINC000507488432 945275197 /nfs/dbraw/zinc/27/51/97/945275197.db2.gz UKVAKTSAECZBDU-UHFFFAOYSA-N 2 2 372.431 3.699 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804894 939920683 /nfs/dbraw/zinc/92/06/83/939920683.db2.gz KBCJSAPFQFWMPV-MZSRDANUSA-N 2 2 357.448 3.873 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804894 939920686 /nfs/dbraw/zinc/92/06/86/939920686.db2.gz KBCJSAPFQFWMPV-MZSRDANUSA-N 2 2 357.448 3.873 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000569870735 940016087 /nfs/dbraw/zinc/01/60/87/940016087.db2.gz JLYRZJJBCWJHLL-KRWDZBQOSA-N 2 2 365.949 3.531 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000569870735 940016092 /nfs/dbraw/zinc/01/60/92/940016092.db2.gz JLYRZJJBCWJHLL-KRWDZBQOSA-N 2 2 365.949 3.531 20 0 FHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)C3CCCCC3)CC2)CC1 ZINC000376019920 940199623 /nfs/dbraw/zinc/19/96/23/940199623.db2.gz COYYPCCKZVHLSF-UHFFFAOYSA-N 2 2 363.590 3.658 20 0 FHADLP C[N@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376021120 940201600 /nfs/dbraw/zinc/20/16/00/940201600.db2.gz JQRPNXNGCHWVEG-GMAHTHKFSA-N 2 2 365.521 3.574 20 0 FHADLP C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376021120 940201603 /nfs/dbraw/zinc/20/16/03/940201603.db2.gz JQRPNXNGCHWVEG-GMAHTHKFSA-N 2 2 365.521 3.574 20 0 FHADLP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376021120 940201604 /nfs/dbraw/zinc/20/16/04/940201604.db2.gz JQRPNXNGCHWVEG-GMAHTHKFSA-N 2 2 365.521 3.574 20 0 FHADLP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376021120 940201607 /nfs/dbraw/zinc/20/16/07/940201607.db2.gz JQRPNXNGCHWVEG-GMAHTHKFSA-N 2 2 365.521 3.574 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCc4cc(Cl)ccc43)CCC[N@@H+]2C)cn1 ZINC000376169007 940405990 /nfs/dbraw/zinc/40/59/90/940405990.db2.gz ZFTNKIPSJIHSGA-YSGRDPCXSA-N 2 2 358.917 3.734 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCc4cc(Cl)ccc43)CCC[N@H+]2C)cn1 ZINC000376169007 940405991 /nfs/dbraw/zinc/40/59/91/940405991.db2.gz ZFTNKIPSJIHSGA-YSGRDPCXSA-N 2 2 358.917 3.734 20 0 FHADLP CN(C)[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000156176011 940419902 /nfs/dbraw/zinc/41/99/02/940419902.db2.gz ABLDTZIKQRGXOS-QHCPKHFHSA-N 2 2 369.528 3.725 20 0 FHADLP COc1c(Br)cccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472582366 940948756 /nfs/dbraw/zinc/94/87/56/940948756.db2.gz RAOKKUDDBOMFBP-HNNXBMFYSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000472582366 940948759 /nfs/dbraw/zinc/94/87/59/940948759.db2.gz RAOKKUDDBOMFBP-HNNXBMFYSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000472582366 940948760 /nfs/dbraw/zinc/94/87/60/940948760.db2.gz RAOKKUDDBOMFBP-HNNXBMFYSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000472582366 940948763 /nfs/dbraw/zinc/94/87/63/940948763.db2.gz RAOKKUDDBOMFBP-HNNXBMFYSA-N 2 2 355.320 3.764 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000414350337 941027528 /nfs/dbraw/zinc/02/75/28/941027528.db2.gz ZXORNXIZSWKXGY-UHFFFAOYSA-N 2 2 353.445 3.697 20 0 FHADLP Cc1ccc(C[NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)nn1 ZINC000414372464 941063928 /nfs/dbraw/zinc/06/39/28/941063928.db2.gz XWKRAFHTAPZFIL-UHFFFAOYSA-N 2 2 360.505 3.967 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000414395942 941092987 /nfs/dbraw/zinc/09/29/87/941092987.db2.gz LCSFBHDMKLTERQ-HXUWFJFHSA-N 2 2 356.489 3.770 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000414395942 941092988 /nfs/dbraw/zinc/09/29/88/941092988.db2.gz LCSFBHDMKLTERQ-HXUWFJFHSA-N 2 2 356.489 3.770 20 0 FHADLP c1cn(CCCC2CC[NH+](Cn3ccc(-c4ccsc4)n3)CC2)c[nH+]1 ZINC000782941803 941315630 /nfs/dbraw/zinc/31/56/30/941315630.db2.gz CPWNUTQEPPEXTP-UHFFFAOYSA-N 2 2 355.511 3.958 20 0 FHADLP Fc1cc(Br)cc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000189090460 941546386 /nfs/dbraw/zinc/54/63/86/941546386.db2.gz DVCLAINDYNHRFU-UHFFFAOYSA-N 2 2 368.250 3.501 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549163929 941561080 /nfs/dbraw/zinc/56/10/80/941561080.db2.gz BBFVWGAABVSPEQ-IBGZPJMESA-N 2 2 372.534 3.925 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549163929 941561082 /nfs/dbraw/zinc/56/10/82/941561082.db2.gz BBFVWGAABVSPEQ-IBGZPJMESA-N 2 2 372.534 3.925 20 0 FHADLP FC(F)(F)COc1ncccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083797 941589557 /nfs/dbraw/zinc/58/95/57/941589557.db2.gz NXCYPVRXRJSKEK-IRXDYDNUSA-N 2 2 365.399 3.606 20 0 FHADLP FC(F)(F)COc1ncccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415083795 941589711 /nfs/dbraw/zinc/58/97/11/941589711.db2.gz NXCYPVRXRJSKEK-DLBZAZTESA-N 2 2 365.399 3.606 20 0 FHADLP CC(C)(C)[NH2+]CC[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415081585 941592481 /nfs/dbraw/zinc/59/24/81/941592481.db2.gz KXQXMPKJCWIVBE-UHFFFAOYSA-N 2 2 358.357 3.936 20 0 FHADLP CC(C)(C)[NH2+]CCNC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000415081585 941592482 /nfs/dbraw/zinc/59/24/82/941592482.db2.gz KXQXMPKJCWIVBE-UHFFFAOYSA-N 2 2 358.357 3.936 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@H]([NH3+])c3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000415129405 941622619 /nfs/dbraw/zinc/62/26/19/941622619.db2.gz PJASURAHHTUGTN-SFHVURJKSA-N 2 2 351.454 3.588 20 0 FHADLP C[NH+](C)CCC1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000659851349 941853325 /nfs/dbraw/zinc/85/33/25/941853325.db2.gz HIMCLIPFXUHMRK-UHFFFAOYSA-N 2 2 360.727 3.661 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)s1 ZINC000377649277 941868928 /nfs/dbraw/zinc/86/89/28/941868928.db2.gz MCEVTMBBPFEMRG-DXCKQFNASA-N 2 2 365.930 3.632 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)s1 ZINC000377649277 941868931 /nfs/dbraw/zinc/86/89/31/941868931.db2.gz MCEVTMBBPFEMRG-DXCKQFNASA-N 2 2 365.930 3.632 20 0 FHADLP COc1cc[nH+]c(N2CC[NH+](Cc3c(OC)ccc4ccccc43)CC2)c1 ZINC000513429893 941916952 /nfs/dbraw/zinc/91/69/52/941916952.db2.gz KJESNDVEBYLGRH-UHFFFAOYSA-N 2 2 363.461 3.574 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)CCC2 ZINC000377832574 942020420 /nfs/dbraw/zinc/02/04/20/942020420.db2.gz SXPCEMWLQZTHES-HNNXBMFYSA-N 2 2 353.388 3.800 20 0 FHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000163794160 942021796 /nfs/dbraw/zinc/02/17/96/942021796.db2.gz YKYJAIKNXGBULG-HNNXBMFYSA-N 2 2 353.470 3.518 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000377961121 942100655 /nfs/dbraw/zinc/10/06/55/942100655.db2.gz RLYNVKMEIAGMMD-XAUMDUMWSA-N 2 2 358.555 3.876 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000377961121 942100658 /nfs/dbraw/zinc/10/06/58/942100658.db2.gz RLYNVKMEIAGMMD-XAUMDUMWSA-N 2 2 358.555 3.876 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000182088464 942203828 /nfs/dbraw/zinc/20/38/28/942203828.db2.gz ZOGSPQGCKIHXEJ-INIZCTEOSA-N 2 2 369.900 3.714 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000182088464 942203836 /nfs/dbraw/zinc/20/38/36/942203836.db2.gz ZOGSPQGCKIHXEJ-INIZCTEOSA-N 2 2 369.900 3.714 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000182091299 942204585 /nfs/dbraw/zinc/20/45/85/942204585.db2.gz MULWDCMKEUYQOI-KRWDZBQOSA-N 2 2 356.489 3.614 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000182091299 942204590 /nfs/dbraw/zinc/20/45/90/942204590.db2.gz MULWDCMKEUYQOI-KRWDZBQOSA-N 2 2 356.489 3.614 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420911894 942250901 /nfs/dbraw/zinc/25/09/01/942250901.db2.gz GSIDIQJQDABDQX-YPAWHYETSA-N 2 2 372.553 3.544 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000420911894 942250905 /nfs/dbraw/zinc/25/09/05/942250905.db2.gz GSIDIQJQDABDQX-YPAWHYETSA-N 2 2 372.553 3.544 20 0 FHADLP Cc1cnc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)s1 ZINC000420948172 942270286 /nfs/dbraw/zinc/27/02/86/942270286.db2.gz OZXCUGDOEAIERX-IBGZPJMESA-N 2 2 357.523 3.525 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287316 /nfs/dbraw/zinc/28/73/16/942287316.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000420976399 942287319 /nfs/dbraw/zinc/28/73/19/942287319.db2.gz GYLFSAWOKJRFKA-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000502242662 942303405 /nfs/dbraw/zinc/30/34/05/942303405.db2.gz RTWVHDMASBQZMQ-KRWDZBQOSA-N 2 2 365.477 3.919 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502326803 942351723 /nfs/dbraw/zinc/35/17/23/942351723.db2.gz PARDGYUADSXKID-KRWDZBQOSA-N 2 2 355.482 3.616 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502326803 942351725 /nfs/dbraw/zinc/35/17/25/942351725.db2.gz PARDGYUADSXKID-KRWDZBQOSA-N 2 2 355.482 3.616 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000502321408 942353766 /nfs/dbraw/zinc/35/37/66/942353766.db2.gz XWDHBYGEOCTKSO-FQEVSTJZSA-N 2 2 365.521 3.967 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000502321408 942353769 /nfs/dbraw/zinc/35/37/69/942353769.db2.gz XWDHBYGEOCTKSO-FQEVSTJZSA-N 2 2 365.521 3.967 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)cn1 ZINC000502341996 942370225 /nfs/dbraw/zinc/37/02/25/942370225.db2.gz QHPNXQBFGMPKTB-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)cc2)cn1 ZINC000502341996 942370232 /nfs/dbraw/zinc/37/02/32/942370232.db2.gz QHPNXQBFGMPKTB-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000414820095 942401309 /nfs/dbraw/zinc/40/13/09/942401309.db2.gz AGNQSPPCVDZAHN-QGZVFWFLSA-N 2 2 355.507 3.513 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cn3ccnc3s2)c(C)c1 ZINC000893184323 942463160 /nfs/dbraw/zinc/46/31/60/942463160.db2.gz XADDUGCLFHEPFX-GOSISDBHSA-N 2 2 351.479 3.740 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(C4CC4)c3)[nH+]c2)CC1 ZINC000421340534 942493935 /nfs/dbraw/zinc/49/39/35/942493935.db2.gz JACONBHRRYZUIP-UHFFFAOYSA-N 2 2 350.510 3.523 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617138 942576731 /nfs/dbraw/zinc/57/67/31/942576731.db2.gz GKMWFERHTQHQKP-OALUTQOASA-N 2 2 368.525 3.518 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617138 942576737 /nfs/dbraw/zinc/57/67/37/942576737.db2.gz GKMWFERHTQHQKP-OALUTQOASA-N 2 2 368.525 3.518 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000501617140 942576837 /nfs/dbraw/zinc/57/68/37/942576837.db2.gz GKMWFERHTQHQKP-RBUKOAKNSA-N 2 2 368.525 3.518 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501617140 942576841 /nfs/dbraw/zinc/57/68/41/942576841.db2.gz GKMWFERHTQHQKP-RBUKOAKNSA-N 2 2 368.525 3.518 20 0 FHADLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414844962 942629934 /nfs/dbraw/zinc/62/99/34/942629934.db2.gz RYWGEAMAMJSFTB-LLVKDONJSA-N 2 2 354.317 3.518 20 0 FHADLP C[N@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C2CCOCC2)CC1 ZINC000378349084 942630184 /nfs/dbraw/zinc/63/01/84/942630184.db2.gz IYACEXIXEJEZKG-UHFFFAOYSA-N 2 2 372.431 3.660 20 0 FHADLP C[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC[NH+](C2CCOCC2)CC1 ZINC000378349084 942630187 /nfs/dbraw/zinc/63/01/87/942630187.db2.gz IYACEXIXEJEZKG-UHFFFAOYSA-N 2 2 372.431 3.660 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000420354788 942634798 /nfs/dbraw/zinc/63/47/98/942634798.db2.gz DKDNYYMGWTXAJG-IIBYNOLFSA-N 2 2 353.510 3.514 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000420366405 942641052 /nfs/dbraw/zinc/64/10/52/942641052.db2.gz ULYSIBAKWAYXGF-PXAZEXFGSA-N 2 2 372.340 3.668 20 0 FHADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420399331 942656108 /nfs/dbraw/zinc/65/61/08/942656108.db2.gz NXKYEDOOMILUCV-QAPCUYQASA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420399331 942656114 /nfs/dbraw/zinc/65/61/14/942656114.db2.gz NXKYEDOOMILUCV-QAPCUYQASA-N 2 2 357.523 3.783 20 0 FHADLP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000420404212 942662633 /nfs/dbraw/zinc/66/26/33/942662633.db2.gz LYBSSVKGFNHEPC-ZLIFDBKOSA-N 2 2 353.293 3.575 20 0 FHADLP c1ccc(COc2cncc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647902844 942666789 /nfs/dbraw/zinc/66/67/89/942666789.db2.gz CTRVCFKLODWODL-IRLDBZIGSA-N 2 2 351.494 3.625 20 0 FHADLP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647902844 942666791 /nfs/dbraw/zinc/66/67/91/942666791.db2.gz CTRVCFKLODWODL-IRLDBZIGSA-N 2 2 351.494 3.625 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428791 942754339 /nfs/dbraw/zinc/75/43/39/942754339.db2.gz KENGSEXRZJWZPX-QMTMVMCOSA-N 2 2 354.523 3.978 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428791 942754344 /nfs/dbraw/zinc/75/43/44/942754344.db2.gz KENGSEXRZJWZPX-QMTMVMCOSA-N 2 2 354.523 3.978 20 0 FHADLP CO[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000659991593 942788388 /nfs/dbraw/zinc/78/83/88/942788388.db2.gz WKSHSWNSJKQVIZ-JOCHJYFZSA-N 2 2 359.558 3.616 20 0 FHADLP CO[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000659991593 942788392 /nfs/dbraw/zinc/78/83/92/942788392.db2.gz WKSHSWNSJKQVIZ-JOCHJYFZSA-N 2 2 359.558 3.616 20 0 FHADLP Cc1cc(N2CCC([N@H+](C)Cc3ccc(CO)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000378509324 942837737 /nfs/dbraw/zinc/83/77/37/942837737.db2.gz WJKWEODCHSWWHF-UHFFFAOYSA-N 2 2 368.525 3.502 20 0 FHADLP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(CO)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000378509324 942837741 /nfs/dbraw/zinc/83/77/41/942837741.db2.gz WJKWEODCHSWWHF-UHFFFAOYSA-N 2 2 368.525 3.502 20 0 FHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414850557 942866930 /nfs/dbraw/zinc/86/69/30/942866930.db2.gz SOVJEBONGNCVFO-HRAATJIYSA-N 2 2 369.509 3.825 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183739482 942909199 /nfs/dbraw/zinc/90/91/99/942909199.db2.gz ISNGTZVOVIIILO-MRXNPFEDSA-N 2 2 362.433 3.680 20 0 FHADLP CC[C@H](C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000513762425 942923685 /nfs/dbraw/zinc/92/36/85/942923685.db2.gz RHDVHSXAKLUKSM-IFMALSPDSA-N 2 2 353.510 3.838 20 0 FHADLP CC[C@@H](C[NH2+][C@H](Cc1ccncc1)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000513762428 942923728 /nfs/dbraw/zinc/92/37/28/942923728.db2.gz RHDVHSXAKLUKSM-RBBKRZOGSA-N 2 2 353.510 3.838 20 0 FHADLP CCC[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccnc1 ZINC000273443473 942958299 /nfs/dbraw/zinc/95/82/99/942958299.db2.gz DRBAYPWTUFNOLT-HXUWFJFHSA-N 2 2 353.514 3.960 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007275 943032820 /nfs/dbraw/zinc/03/28/20/943032820.db2.gz GNZVWVPKAGAGDB-OALUTQOASA-N 2 2 369.509 3.501 20 0 FHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007275 943032825 /nfs/dbraw/zinc/03/28/25/943032825.db2.gz GNZVWVPKAGAGDB-OALUTQOASA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007275 943032833 /nfs/dbraw/zinc/03/28/33/943032833.db2.gz GNZVWVPKAGAGDB-OALUTQOASA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007275 943032838 /nfs/dbraw/zinc/03/28/38/943032838.db2.gz GNZVWVPKAGAGDB-OALUTQOASA-N 2 2 369.509 3.501 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCO2 ZINC000271935627 943072290 /nfs/dbraw/zinc/07/22/90/943072290.db2.gz AEINNVSMLCDTII-HNNXBMFYSA-N 2 2 368.481 3.514 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434981718 943073755 /nfs/dbraw/zinc/07/37/55/943073755.db2.gz LVHDLCGRYFTQTR-GFCCVEGCSA-N 2 2 366.387 3.635 20 0 FHADLP COc1cccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000272269573 943125791 /nfs/dbraw/zinc/12/57/91/943125791.db2.gz NAYOLNMHAPHORD-MRXNPFEDSA-N 2 2 354.498 3.794 20 0 FHADLP CCn1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc21 ZINC000435056541 943129910 /nfs/dbraw/zinc/12/99/10/943129910.db2.gz HEBNYZHCUJOLQQ-UHFFFAOYSA-N 2 2 363.509 3.969 20 0 FHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000236840895 943136315 /nfs/dbraw/zinc/13/63/15/943136315.db2.gz APKUEIAWDQYECH-IBGZPJMESA-N 2 2 354.494 3.945 20 0 FHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000236840895 943136320 /nfs/dbraw/zinc/13/63/20/943136320.db2.gz APKUEIAWDQYECH-IBGZPJMESA-N 2 2 354.494 3.945 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nc4cccnc4s3)C2)n2c1CCCC2 ZINC000503373638 943148601 /nfs/dbraw/zinc/14/86/01/943148601.db2.gz XRSBDLLQYQJBRC-CQSZACIVSA-N 2 2 353.495 3.604 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n2c1CCCC2 ZINC000503373638 943148603 /nfs/dbraw/zinc/14/86/03/943148603.db2.gz XRSBDLLQYQJBRC-CQSZACIVSA-N 2 2 353.495 3.604 20 0 FHADLP CCN(CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000503409126 943167682 /nfs/dbraw/zinc/16/76/82/943167682.db2.gz IVUAVFNNFLFPCT-MRXNPFEDSA-N 2 2 372.479 3.673 20 0 FHADLP CCN(CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000503409126 943167686 /nfs/dbraw/zinc/16/76/86/943167686.db2.gz IVUAVFNNFLFPCT-MRXNPFEDSA-N 2 2 372.479 3.673 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433429 943180620 /nfs/dbraw/zinc/18/06/20/943180620.db2.gz QICCWMNKVROZOY-ZWKOTPCHSA-N 2 2 372.557 3.578 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433429 943180622 /nfs/dbraw/zinc/18/06/22/943180622.db2.gz QICCWMNKVROZOY-ZWKOTPCHSA-N 2 2 372.557 3.578 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCc3ccco3)CC2)cc1 ZINC000514709996 943237729 /nfs/dbraw/zinc/23/77/29/943237729.db2.gz OPHBPJWSRWNGPE-QGZVFWFLSA-N 2 2 369.509 3.813 20 0 FHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000272964424 943251560 /nfs/dbraw/zinc/25/15/60/943251560.db2.gz WNHMTVBSCQNTLX-INIZCTEOSA-N 2 2 358.555 3.831 20 0 FHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503592656 943280350 /nfs/dbraw/zinc/28/03/50/943280350.db2.gz OPTNLASKQZGWNT-PMACEKPBSA-N 2 2 356.466 3.539 20 0 FHADLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OCC(F)(F)F ZINC000422824680 943297280 /nfs/dbraw/zinc/29/72/80/943297280.db2.gz HVMVBBKISSZLBK-CVEARBPZSA-N 2 2 366.383 3.871 20 0 FHADLP CC[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000422831356 943298739 /nfs/dbraw/zinc/29/87/39/943298739.db2.gz DXLZHEBAUXIKIK-RTWAWAEBSA-N 2 2 361.493 3.555 20 0 FHADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000503635353 943301914 /nfs/dbraw/zinc/30/19/14/943301914.db2.gz KOZIOIHQDGQGNQ-CQSZACIVSA-N 2 2 365.399 3.992 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880445 943315088 /nfs/dbraw/zinc/31/50/88/943315088.db2.gz LWVMFCVGOJSVRW-KURKYZTESA-N 3 2 352.526 3.823 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422883875 943316959 /nfs/dbraw/zinc/31/69/59/943316959.db2.gz DBRCFICOMKZUTE-RVKKMQEKSA-N 2 2 359.539 3.845 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422889988 943319585 /nfs/dbraw/zinc/31/95/85/943319585.db2.gz HECBQSXPRGKIAD-KZNAEPCWSA-N 3 2 352.526 3.823 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCCc2nc(C)cs2)[C@H]2CCC[NH2+]2)cc1 ZINC000422900682 943324627 /nfs/dbraw/zinc/32/46/27/943324627.db2.gz ARBJADUMUNETMR-UYAOXDASSA-N 2 2 359.539 3.866 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2Cl)cc1 ZINC000422919113 943341566 /nfs/dbraw/zinc/34/15/66/943341566.db2.gz JKTSGGCFZLHISE-WJPUGNRLSA-N 2 2 374.912 3.795 20 0 FHADLP CCN(CC)c1ccc(N[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000422978062 943356475 /nfs/dbraw/zinc/35/64/75/943356475.db2.gz GQVSQXQKLACSHM-NQIIRXRSSA-N 2 2 352.482 3.596 20 0 FHADLP Cc1nc(COc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)cs1 ZINC000435369220 943362734 /nfs/dbraw/zinc/36/27/34/943362734.db2.gz DNSUNOAISOWIIQ-UHFFFAOYSA-N 2 2 371.550 3.995 20 0 FHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370990 943364668 /nfs/dbraw/zinc/36/46/68/943364668.db2.gz KTRCLKDDFOXYSV-VXGBXAGGSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000435370990 943364674 /nfs/dbraw/zinc/36/46/74/943364674.db2.gz KTRCLKDDFOXYSV-VXGBXAGGSA-N 2 2 355.429 3.998 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1OCc1ccccc1 ZINC000423019552 943366722 /nfs/dbraw/zinc/36/67/22/943366722.db2.gz WDZAPDOIBVDDLP-NSHGMRRFSA-N 2 2 354.494 3.683 20 0 FHADLP CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022946 943369489 /nfs/dbraw/zinc/36/94/89/943369489.db2.gz ISHIISYELWPADL-FDPIWHGQSA-N 2 2 353.913 3.722 20 0 FHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423043090 943375771 /nfs/dbraw/zinc/37/57/71/943375771.db2.gz NGSNIRBZDHVYMJ-JQAFLVLXSA-N 2 2 352.404 3.858 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423055793 943377108 /nfs/dbraw/zinc/37/71/08/943377108.db2.gz XDMOMVXTCJSSMR-PNJWGLBASA-N 2 2 366.505 3.998 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000435395834 943380614 /nfs/dbraw/zinc/38/06/14/943380614.db2.gz VEKQFNWXFXACBC-UHFFFAOYSA-N 2 2 366.534 3.844 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080888 943387003 /nfs/dbraw/zinc/38/70/03/943387003.db2.gz TWPRXOCYRGVYEF-YPIGPJMWSA-N 2 2 366.505 3.856 20 0 FHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423103198 943395032 /nfs/dbraw/zinc/39/50/32/943395032.db2.gz KXYKXBAAYPTYMN-GCJKJVERSA-N 2 2 361.489 3.709 20 0 FHADLP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423106253 943401987 /nfs/dbraw/zinc/40/19/87/943401987.db2.gz RFIWZVJOHOLSDY-DTDBQYNISA-N 2 2 355.309 3.596 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc2cccnc21)C[C@H]1CC[NH2+]C1 ZINC000435441299 943418599 /nfs/dbraw/zinc/41/85/99/943418599.db2.gz FBVSEFRKVZDCGA-INIZCTEOSA-N 2 2 352.507 3.611 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc2cccnc21)C[C@H]1CC[NH2+]C1 ZINC000435441299 943418602 /nfs/dbraw/zinc/41/86/02/943418602.db2.gz FBVSEFRKVZDCGA-INIZCTEOSA-N 2 2 352.507 3.611 20 0 FHADLP COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccco2)cc1 ZINC000423171204 943425087 /nfs/dbraw/zinc/42/50/87/943425087.db2.gz ZRMXYUGJQRNLMT-QVKFZJNVSA-N 2 2 351.450 3.891 20 0 FHADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423175028 943427346 /nfs/dbraw/zinc/42/73/46/943427346.db2.gz CPOFQXTVWORRFI-INIZCTEOSA-N 2 2 364.555 3.715 20 0 FHADLP C[NH2+]CCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423208501 943431703 /nfs/dbraw/zinc/43/17/03/943431703.db2.gz YVRFRQNYDZRFGT-KRWDZBQOSA-N 2 2 351.263 3.877 20 0 FHADLP COc1ccc2cc([C@@H](C)Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)ccc2c1 ZINC000423232069 943453451 /nfs/dbraw/zinc/45/34/51/943453451.db2.gz MHBSFQLLOWWTSI-MRXNPFEDSA-N 2 2 362.477 3.826 20 0 FHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250827 943459240 /nfs/dbraw/zinc/45/92/40/943459240.db2.gz VPPBJBSVYXTKHJ-LPHOPBHVSA-N 2 2 369.509 3.825 20 0 FHADLP Cc1c([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284856 943464048 /nfs/dbraw/zinc/46/40/48/943464048.db2.gz XGYYYAYXNWIIDT-QFYYESIMSA-N 2 2 353.297 3.875 20 0 FHADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000423266941 943466722 /nfs/dbraw/zinc/46/67/22/943466722.db2.gz DLECOICOPJUFKT-VLIAUNLRSA-N 2 2 362.901 3.892 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000423344134 943477962 /nfs/dbraw/zinc/47/79/62/943477962.db2.gz WUGYWGVXRZAPEJ-DFQSSKMNSA-N 2 2 354.519 3.967 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423326616 943480874 /nfs/dbraw/zinc/48/08/74/943480874.db2.gz JJBUTRROMBRRCJ-UZQPLGKSSA-N 2 2 352.478 3.522 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000423342124 943484757 /nfs/dbraw/zinc/48/47/57/943484757.db2.gz VBEYKDKUTLIJBI-FFZOFVMBSA-N 2 2 370.468 3.566 20 0 FHADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369833 943493865 /nfs/dbraw/zinc/49/38/65/943493865.db2.gz OXLNQQPFUQCIGU-FPDPHYFHSA-N 2 2 359.464 3.806 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369965 943494509 /nfs/dbraw/zinc/49/45/09/943494509.db2.gz CWWQSZAJUDOTSK-IAGOWNOFSA-N 2 2 352.482 3.562 20 0 FHADLP Fc1ccc(-c2nc(C[NH2+]CCC[NH2+]Cc3cccnc3)cs2)cc1 ZINC000414871262 943502091 /nfs/dbraw/zinc/50/20/91/943502091.db2.gz DLNXVVWFCDEIHP-UHFFFAOYSA-N 2 2 356.470 3.614 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423423097 943505937 /nfs/dbraw/zinc/50/59/37/943505937.db2.gz KSZNRUXHZFNYPL-CJNGLKHVSA-N 2 2 362.461 3.760 20 0 FHADLP FC(F)Oc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)cc1 ZINC000423444013 943512446 /nfs/dbraw/zinc/51/24/46/943512446.db2.gz WDEREVYMHSWGIJ-XWTMOSNGSA-N 2 2 364.823 3.838 20 0 FHADLP COC[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430017 943516670 /nfs/dbraw/zinc/51/66/70/943516670.db2.gz PGHLNTMTYMNTFS-DYESRHJHSA-N 2 2 371.550 3.854 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499295 943529425 /nfs/dbraw/zinc/52/94/25/943529425.db2.gz JJMSOIFURDWXCQ-FCHUYYIVSA-N 2 2 363.509 3.570 20 0 FHADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000414748482 943532366 /nfs/dbraw/zinc/53/23/66/943532366.db2.gz IQDJHJBFMWAACR-ZDUSSCGKSA-N 2 2 359.499 3.793 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515882 943542819 /nfs/dbraw/zinc/54/28/19/943542819.db2.gz XNVUTKYUQYPPOI-HTAPYJJXSA-N 3 2 355.526 3.540 20 0 FHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c2ccccc21 ZINC000423525103 943547405 /nfs/dbraw/zinc/54/74/05/943547405.db2.gz KDYCNWLMFRAFMJ-MYGLTJDJSA-N 2 2 364.489 3.513 20 0 FHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c2ccccc21 ZINC000423525099 943547443 /nfs/dbraw/zinc/54/74/43/943547443.db2.gz KDYCNWLMFRAFMJ-FNAHDJPLSA-N 2 2 364.489 3.513 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423813818 943625304 /nfs/dbraw/zinc/62/53/04/943625304.db2.gz FIGQMHNYCYDTBR-APWZRJJASA-N 2 2 371.550 3.680 20 0 FHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855143 943784969 /nfs/dbraw/zinc/78/49/69/943784969.db2.gz MJQNVBVBPUOAAM-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855143 943784976 /nfs/dbraw/zinc/78/49/76/943784976.db2.gz MJQNVBVBPUOAAM-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855143 943784983 /nfs/dbraw/zinc/78/49/83/943784983.db2.gz MJQNVBVBPUOAAM-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)(F)F)c(F)c3)C2)C1 ZINC000584855143 943784992 /nfs/dbraw/zinc/78/49/92/943784992.db2.gz MJQNVBVBPUOAAM-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP CC(C)C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000424330199 943846929 /nfs/dbraw/zinc/84/69/29/943846929.db2.gz RONQFPVVOBCPIF-QGZVFWFLSA-N 2 2 361.530 3.644 20 0 FHADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424330481 943847004 /nfs/dbraw/zinc/84/70/04/943847004.db2.gz IDEANTMUYGTKPJ-VAMGGRTRSA-N 2 2 357.542 3.507 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847049 /nfs/dbraw/zinc/84/70/49/943847049.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847057 /nfs/dbraw/zinc/84/70/57/943847057.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847067 /nfs/dbraw/zinc/84/70/67/943847067.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549478071 943847076 /nfs/dbraw/zinc/84/70/76/943847076.db2.gz OUKXTYJRDRTHPS-YYWHXJBOSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424330480 943847568 /nfs/dbraw/zinc/84/75/68/943847568.db2.gz IDEANTMUYGTKPJ-AQNXPRMDSA-N 2 2 357.542 3.507 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424340562 943870935 /nfs/dbraw/zinc/87/09/35/943870935.db2.gz YBRMOYPLRLMAQP-OWYVNGRQSA-N 2 2 363.811 3.545 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000424339058 943871404 /nfs/dbraw/zinc/87/14/04/943871404.db2.gz VKLKOHJSYAFPEB-MRCXROJRSA-N 2 2 363.811 3.545 20 0 FHADLP CCOc1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000516973677 943873241 /nfs/dbraw/zinc/87/32/41/943873241.db2.gz ICHDEOYKFSHGLN-QGZVFWFLSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000516973677 943873254 /nfs/dbraw/zinc/87/32/54/943873254.db2.gz ICHDEOYKFSHGLN-QGZVFWFLSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000516973677 943873265 /nfs/dbraw/zinc/87/32/65/943873265.db2.gz ICHDEOYKFSHGLN-QGZVFWFLSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000516973677 943873275 /nfs/dbraw/zinc/87/32/75/943873275.db2.gz ICHDEOYKFSHGLN-QGZVFWFLSA-N 2 2 359.539 3.804 20 0 FHADLP COC(=O)[C@H](CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000425463204 944029450 /nfs/dbraw/zinc/02/94/50/944029450.db2.gz VTPUHVHQNBPSGQ-DYESRHJHSA-N 2 2 363.461 3.870 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1 ZINC000414878860 944034045 /nfs/dbraw/zinc/03/40/45/944034045.db2.gz HUFCQGQLGUOCQN-VXKWHMMOSA-N 2 2 361.489 3.787 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000468743960 944053659 /nfs/dbraw/zinc/05/36/59/944053659.db2.gz OUSOFNLKNFWRLF-SJLPKXTDSA-N 2 2 357.523 3.568 20 0 FHADLP C[NH+](C)CCC[C@@H]1CN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)CCO1 ZINC000664653560 944064352 /nfs/dbraw/zinc/06/43/52/944064352.db2.gz BLTCSQNNWZASMW-MRXNPFEDSA-N 2 2 367.415 3.801 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc4c3NCCC4)[nH+]c2)CC1 ZINC000894341480 944069604 /nfs/dbraw/zinc/06/96/04/944069604.db2.gz BMHDVTPYBGXEOF-UHFFFAOYSA-N 2 2 365.525 3.582 20 0 FHADLP CC[C@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](CC)CC ZINC000436177236 944089771 /nfs/dbraw/zinc/08/97/71/944089771.db2.gz SDXKDBODMZDVTJ-LJQANCHMSA-N 2 2 354.498 3.945 20 0 FHADLP CCCC[C@H](C[NH3+])NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414812739 944108359 /nfs/dbraw/zinc/10/83/59/944108359.db2.gz LKPFBUSOMAGASV-QGZVFWFLSA-N 2 2 368.363 3.521 20 0 FHADLP CCCC[C@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414812739 944108361 /nfs/dbraw/zinc/10/83/61/944108361.db2.gz LKPFBUSOMAGASV-QGZVFWFLSA-N 2 2 368.363 3.521 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)C1 ZINC000437784341 944111348 /nfs/dbraw/zinc/11/13/48/944111348.db2.gz KARQQYDVFJSSFT-IRFCIJBXSA-N 2 2 350.510 3.970 20 0 FHADLP C[C@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000517263503 944166248 /nfs/dbraw/zinc/16/62/48/944166248.db2.gz NVYKTQDPWLXWRP-OPAMFIHVSA-N 2 2 354.469 3.944 20 0 FHADLP CSc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312973 944192032 /nfs/dbraw/zinc/19/20/32/944192032.db2.gz KYPKJOJPKBIYHC-UWJYYQICSA-N 2 2 355.551 3.846 20 0 FHADLP CSc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312973 944192034 /nfs/dbraw/zinc/19/20/34/944192034.db2.gz KYPKJOJPKBIYHC-UWJYYQICSA-N 2 2 355.551 3.846 20 0 FHADLP C[C@H]1SCC[N@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196250 /nfs/dbraw/zinc/19/62/50/944196250.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[N@@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196259 /nfs/dbraw/zinc/19/62/59/944196259.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196262 /nfs/dbraw/zinc/19/62/62/944196262.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@@H]3C)c2)[C@@H]1C ZINC000515772310 944196268 /nfs/dbraw/zinc/19/62/68/944196268.db2.gz WOUXMKZVNCETEW-WNKDZCFJSA-N 2 2 365.612 3.733 20 0 FHADLP Cc1ccc2cc(C[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)ccc2n1 ZINC000438076155 944316699 /nfs/dbraw/zinc/31/66/99/944316699.db2.gz SSTUPJZLQDCEKU-UHFFFAOYSA-N 2 2 374.532 3.845 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835687 944333733 /nfs/dbraw/zinc/33/37/33/944333733.db2.gz GCUVJKMEOOODET-QFIPXVFZSA-N 3 2 366.553 3.814 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835687 944333748 /nfs/dbraw/zinc/33/37/48/944333748.db2.gz GCUVJKMEOOODET-QFIPXVFZSA-N 3 2 366.553 3.814 20 0 FHADLP Cc1noc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836495 944360522 /nfs/dbraw/zinc/36/05/22/944360522.db2.gz KPPDENRSWZSVPT-FQEVSTJZSA-N 2 2 354.498 3.501 20 0 FHADLP Cc1noc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836495 944360530 /nfs/dbraw/zinc/36/05/30/944360530.db2.gz KPPDENRSWZSVPT-FQEVSTJZSA-N 2 2 354.498 3.501 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838937 944445870 /nfs/dbraw/zinc/44/58/70/944445870.db2.gz VTULVWJNMUXQOV-QFIPXVFZSA-N 3 2 366.553 3.585 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838937 944445872 /nfs/dbraw/zinc/44/58/72/944445872.db2.gz VTULVWJNMUXQOV-QFIPXVFZSA-N 3 2 366.553 3.585 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583663 944514985 /nfs/dbraw/zinc/51/49/85/944514985.db2.gz FCTAJJLXFDQGTN-JTHBVZDNSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583663 944514989 /nfs/dbraw/zinc/51/49/89/944514989.db2.gz FCTAJJLXFDQGTN-JTHBVZDNSA-N 2 2 350.506 3.863 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCc4ccccc43)C2)cc1 ZINC000390612105 944567871 /nfs/dbraw/zinc/56/78/71/944567871.db2.gz XBLAOYQKQJQGEY-GMAHTHKFSA-N 2 2 350.506 3.945 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCc4ccccc43)C2)cc1 ZINC000390612105 944567875 /nfs/dbraw/zinc/56/78/75/944567875.db2.gz XBLAOYQKQJQGEY-GMAHTHKFSA-N 2 2 350.506 3.945 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000518683912 944595498 /nfs/dbraw/zinc/59/54/98/944595498.db2.gz FIWKGPCZTYZOFC-BXWFABGCSA-N 2 2 356.466 3.627 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000518683912 944595504 /nfs/dbraw/zinc/59/55/04/944595504.db2.gz FIWKGPCZTYZOFC-BXWFABGCSA-N 2 2 356.466 3.627 20 0 FHADLP CCOc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167983852 944682024 /nfs/dbraw/zinc/68/20/24/944682024.db2.gz JZQUPBQNWJMCAB-WCRBZPEASA-N 2 2 369.553 3.613 20 0 FHADLP CCOc1ccccc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167983852 944682029 /nfs/dbraw/zinc/68/20/29/944682029.db2.gz JZQUPBQNWJMCAB-WCRBZPEASA-N 2 2 369.553 3.613 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000426408388 944702098 /nfs/dbraw/zinc/70/20/98/944702098.db2.gz ADVSRZUREIFLLR-QGZVFWFLSA-N 2 2 365.477 3.757 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1csc(Cl)c1 ZINC000364444007 944720367 /nfs/dbraw/zinc/72/03/67/944720367.db2.gz ITHSVXJSBYYFEY-GDZNZVCISA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1csc(Cl)c1 ZINC000364444007 944720378 /nfs/dbraw/zinc/72/03/78/944720378.db2.gz ITHSVXJSBYYFEY-GDZNZVCISA-N 2 2 352.935 3.869 20 0 FHADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)CC1 ZINC000638800621 945421397 /nfs/dbraw/zinc/42/13/97/945421397.db2.gz NZESARMGQFQGFW-MRXNPFEDSA-N 2 2 362.411 3.644 20 0 FHADLP COc1cc(OC)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000651638744 945501746 /nfs/dbraw/zinc/50/17/46/945501746.db2.gz IYWMTJVYKSFOFL-GOSISDBHSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000651638744 945501755 /nfs/dbraw/zinc/50/17/55/945501755.db2.gz IYWMTJVYKSFOFL-GOSISDBHSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651638744 945501760 /nfs/dbraw/zinc/50/17/60/945501760.db2.gz IYWMTJVYKSFOFL-GOSISDBHSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651638744 945501766 /nfs/dbraw/zinc/50/17/66/945501766.db2.gz IYWMTJVYKSFOFL-GOSISDBHSA-N 2 2 372.484 3.797 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000281029795 945501992 /nfs/dbraw/zinc/50/19/92/945501992.db2.gz PBNNWLPJPJUOPF-AOMKIAJQSA-N 2 2 351.494 3.980 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053927 945513049 /nfs/dbraw/zinc/51/30/49/945513049.db2.gz PFKWLIQGWLILJC-XJKSGUPXSA-N 2 2 366.431 3.556 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053927 945513053 /nfs/dbraw/zinc/51/30/53/945513053.db2.gz PFKWLIQGWLILJC-XJKSGUPXSA-N 2 2 366.431 3.556 20 0 FHADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)ncc1Br ZINC001167967608 945543909 /nfs/dbraw/zinc/54/39/09/945543909.db2.gz INAOKVRMVQFWAK-ZXFUBFMLSA-N 2 2 364.331 3.648 20 0 FHADLP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)ncc1Br ZINC001167967608 945543918 /nfs/dbraw/zinc/54/39/18/945543918.db2.gz INAOKVRMVQFWAK-ZXFUBFMLSA-N 2 2 364.331 3.648 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000440614181 945710642 /nfs/dbraw/zinc/71/06/42/945710642.db2.gz MRMRKSZSFJIETF-UKRRQHHQSA-N 2 2 352.404 3.571 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000440614181 945710647 /nfs/dbraw/zinc/71/06/47/945710647.db2.gz MRMRKSZSFJIETF-UKRRQHHQSA-N 2 2 352.404 3.571 20 0 FHADLP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000281630510 945791778 /nfs/dbraw/zinc/79/17/78/945791778.db2.gz IEKOMDGCTDAOOQ-UHFFFAOYSA-N 2 2 358.873 3.588 20 0 FHADLP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000281630510 945791784 /nfs/dbraw/zinc/79/17/84/945791784.db2.gz IEKOMDGCTDAOOQ-UHFFFAOYSA-N 2 2 358.873 3.588 20 0 FHADLP C[C@@H]1CC([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065966 945796202 /nfs/dbraw/zinc/79/62/02/945796202.db2.gz ZJERXXVHNZHNHH-CUDZTTRCSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1CC([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168065966 945796206 /nfs/dbraw/zinc/79/62/06/945796206.db2.gz ZJERXXVHNZHNHH-CUDZTTRCSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281813846 945861594 /nfs/dbraw/zinc/86/15/94/945861594.db2.gz ZDCACGRWHPXAPE-QVKFZJNVSA-N 2 2 354.473 3.882 20 0 FHADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045053688 945915329 /nfs/dbraw/zinc/91/53/29/945915329.db2.gz VNAMUOJBSCMTRY-SFHVURJKSA-N 2 2 366.490 3.501 20 0 FHADLP Cc1nc(NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301714275 945930401 /nfs/dbraw/zinc/93/04/01/945930401.db2.gz ZHYNKPNFGXGBLD-GASCZTMLSA-N 2 2 354.498 3.623 20 0 FHADLP Cc1nc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301714275 945930408 /nfs/dbraw/zinc/93/04/08/945930408.db2.gz ZHYNKPNFGXGBLD-GASCZTMLSA-N 2 2 354.498 3.623 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301809495 945978877 /nfs/dbraw/zinc/97/88/77/945978877.db2.gz CXTATAAZKRFYJQ-KXBFYZLASA-N 2 2 357.527 3.855 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301809495 945978892 /nfs/dbraw/zinc/97/88/92/945978892.db2.gz CXTATAAZKRFYJQ-KXBFYZLASA-N 2 2 357.527 3.855 20 0 FHADLP COc1cc(OC)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000651808753 945985189 /nfs/dbraw/zinc/98/51/89/945985189.db2.gz COBIHAASADBBIM-UHFFFAOYSA-N 2 2 361.461 3.732 20 0 FHADLP CC(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302039179 946090268 /nfs/dbraw/zinc/09/02/68/946090268.db2.gz HBFVVKXQEWNWMF-IBGZPJMESA-N 2 2 368.525 3.902 20 0 FHADLP CC(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302039179 946090281 /nfs/dbraw/zinc/09/02/81/946090281.db2.gz HBFVVKXQEWNWMF-IBGZPJMESA-N 2 2 368.525 3.902 20 0 FHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168052647 946137442 /nfs/dbraw/zinc/13/74/42/946137442.db2.gz LMACGMUUHFLCEV-VTYHHJSWSA-N 2 2 367.537 3.839 20 0 FHADLP C[C@@H]1C[C@@H](N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168052647 946137449 /nfs/dbraw/zinc/13/74/49/946137449.db2.gz LMACGMUUHFLCEV-VTYHHJSWSA-N 2 2 367.537 3.839 20 0 FHADLP Cc1cc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000302589343 946258224 /nfs/dbraw/zinc/25/82/24/946258224.db2.gz VSRYKCDLSKGRKC-SFHVURJKSA-N 2 2 365.399 3.894 20 0 FHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302723003 946296687 /nfs/dbraw/zinc/29/66/87/946296687.db2.gz ILWHYMDPXAATDR-XJKSGUPXSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302723003 946296690 /nfs/dbraw/zinc/29/66/90/946296690.db2.gz ILWHYMDPXAATDR-XJKSGUPXSA-N 2 2 360.299 3.918 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc2ccccc12 ZINC000441248231 946343368 /nfs/dbraw/zinc/34/33/68/946343368.db2.gz MMXRBPJGNPONCC-CWFSZBLJSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)nc2ccccc12 ZINC000441248231 946343376 /nfs/dbraw/zinc/34/33/76/946343376.db2.gz MMXRBPJGNPONCC-CWFSZBLJSA-N 2 2 373.928 3.880 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441366371 946514464 /nfs/dbraw/zinc/51/44/64/946514464.db2.gz SZRAVORQUNLWHW-NSHGMRRFSA-N 2 2 356.514 3.524 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 ZINC000441377212 946531822 /nfs/dbraw/zinc/53/18/22/946531822.db2.gz AHTSMYOVWLCRNQ-PZJWPPBQSA-N 2 2 370.541 3.865 20 0 FHADLP C[C@H]1CC(n2c[nH+]cc2C2CC[NH2+]CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168058078 946595756 /nfs/dbraw/zinc/59/57/56/946595756.db2.gz AVBDVVYCJPAPCI-ROUUACIJSA-N 3 2 352.526 3.964 20 0 FHADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc(Cl)c1OC ZINC000475555315 946639858 /nfs/dbraw/zinc/63/98/58/946639858.db2.gz VYKGAUSCUAIUSM-UHFFFAOYSA-N 2 2 352.906 3.854 20 0 FHADLP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824401209 946682965 /nfs/dbraw/zinc/68/29/65/946682965.db2.gz OCFCFRMTYPNEEC-INIZCTEOSA-N 2 2 370.545 3.636 20 0 FHADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000067500711 946704927 /nfs/dbraw/zinc/70/49/27/946704927.db2.gz GBZOBMANMCKGOF-MRXNPFEDSA-N 2 2 371.506 3.958 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccco1 ZINC000112628422 946705601 /nfs/dbraw/zinc/70/56/01/946705601.db2.gz UJIYLAVFGAFZTK-LJQANCHMSA-N 2 2 366.465 3.587 20 0 FHADLP Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000112628261 946705613 /nfs/dbraw/zinc/70/56/13/946705613.db2.gz UVFRKNUGXQGBFQ-OAQYLSRUSA-N 2 2 362.477 3.522 20 0 FHADLP Cn1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(-c2ccccc2Cl)n1 ZINC000475576435 946726406 /nfs/dbraw/zinc/72/64/06/946726406.db2.gz WWXAMPYUMUFZMD-UHFFFAOYSA-N 2 2 358.917 3.847 20 0 FHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000167883404 946874862 /nfs/dbraw/zinc/87/48/62/946874862.db2.gz OBGADNKDKNOECU-KRWDZBQOSA-N 2 2 369.509 3.603 20 0 FHADLP COC(=O)c1cccc(-c2ccc(NCc3ccc(N)[nH+]c3C)[nH+]c2C)c1 ZINC001167785649 946989559 /nfs/dbraw/zinc/98/95/59/946989559.db2.gz XMAZHNUBBGHLDW-UHFFFAOYSA-N 2 2 362.433 3.741 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C[C@@H](C)O1 ZINC000301085081 947168966 /nfs/dbraw/zinc/16/89/66/947168966.db2.gz LKDSSLHOAHQSEV-HZPDHXFCSA-N 2 2 350.466 3.784 20 0 FHADLP O=C(C[NH+]1CCC(Nc2cc[nH+]c3ccsc32)CC1)Nc1ccccc1 ZINC000301333488 947290651 /nfs/dbraw/zinc/29/06/51/947290651.db2.gz CCUAUWDORUMXGD-UHFFFAOYSA-N 2 2 366.490 3.811 20 0 FHADLP Cc1nc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c(C)[nH+]1 ZINC000301443133 947345204 /nfs/dbraw/zinc/34/52/04/947345204.db2.gz OAAAWZUSVHTHIO-GJZGRUSLSA-N 2 2 354.498 3.623 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000367182704 947474860 /nfs/dbraw/zinc/47/48/60/947474860.db2.gz DAILXIBDZXCHIR-NRFANRHFSA-N 2 2 371.569 3.666 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000367182704 947474850 /nfs/dbraw/zinc/47/48/50/947474850.db2.gz DAILXIBDZXCHIR-NRFANRHFSA-N 2 2 371.569 3.666 20 0 FHADLP c1coc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCCC2)c1 ZINC000072670270 947632752 /nfs/dbraw/zinc/63/27/52/947632752.db2.gz WYWGMAXEFSPXLC-FQEVSTJZSA-N 2 2 350.466 3.782 20 0 FHADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290765 947711999 /nfs/dbraw/zinc/71/19/99/947711999.db2.gz JTMCIONAVLLZTH-HIFRSBDPSA-N 2 2 367.896 3.518 20 0 FHADLP C[C@H](Cc1ccccc1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662320615 947749175 /nfs/dbraw/zinc/74/91/75/947749175.db2.gz VIVFFLTUGDBEGC-QGZVFWFLSA-N 2 2 364.493 3.897 20 0 FHADLP C[C@H](Cc1ccccc1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662320615 947749178 /nfs/dbraw/zinc/74/91/78/947749178.db2.gz VIVFFLTUGDBEGC-QGZVFWFLSA-N 2 2 364.493 3.897 20 0 FHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC000662325688 947750662 /nfs/dbraw/zinc/75/06/62/947750662.db2.gz IDFZWCNSEZSCKR-QFIPXVFZSA-N 2 2 368.521 3.808 20 0 FHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CCO1 ZINC000662325688 947750667 /nfs/dbraw/zinc/75/06/67/947750667.db2.gz IDFZWCNSEZSCKR-QFIPXVFZSA-N 2 2 368.521 3.808 20 0 FHADLP CC[NH+](CC)CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167798296 947751797 /nfs/dbraw/zinc/75/17/97/947751797.db2.gz KQYCXJFGUJHVJB-UHFFFAOYSA-N 2 2 367.578 3.974 20 0 FHADLP CC[NH+](CC)CCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167798296 947751810 /nfs/dbraw/zinc/75/18/10/947751810.db2.gz KQYCXJFGUJHVJB-UHFFFAOYSA-N 2 2 367.578 3.974 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000473984504 947788680 /nfs/dbraw/zinc/78/86/80/947788680.db2.gz ACTAIAYCCBRASR-UHFFFAOYSA-N 2 2 357.473 3.512 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000473984504 947788685 /nfs/dbraw/zinc/78/86/85/947788685.db2.gz ACTAIAYCCBRASR-UHFFFAOYSA-N 2 2 357.473 3.512 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807939 /nfs/dbraw/zinc/80/79/39/947807939.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 3 2 373.560 3.544 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343801 947807951 /nfs/dbraw/zinc/80/79/51/947807951.db2.gz FMBQFFMRZDJUNS-OAQYLSRUSA-N 3 2 373.560 3.544 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467818 948054097 /nfs/dbraw/zinc/05/40/97/948054097.db2.gz IBECXWAMGYWUQD-HOCLYGCPSA-N 2 2 360.933 3.999 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467818 948054102 /nfs/dbraw/zinc/05/41/02/948054102.db2.gz IBECXWAMGYWUQD-HOCLYGCPSA-N 2 2 360.933 3.999 20 0 FHADLP COc1cccc2c(N3CCC[C@H](Cc4[nH+]ccn4C)C3)cc(C)[nH+]c12 ZINC000132570486 948068373 /nfs/dbraw/zinc/06/83/73/948068373.db2.gz OILFGSAKDTXAPD-MRXNPFEDSA-N 2 2 350.466 3.744 20 0 FHADLP COc1cccc2c(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc(C)[nH+]c12 ZINC000132570692 948068489 /nfs/dbraw/zinc/06/84/89/948068489.db2.gz OILFGSAKDTXAPD-INIZCTEOSA-N 2 2 350.466 3.744 20 0 FHADLP Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003046 948327087 /nfs/dbraw/zinc/32/70/87/948327087.db2.gz ZFROQKYIQNQGQZ-UHFFFAOYSA-N 2 2 364.280 3.864 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432418860 948373650 /nfs/dbraw/zinc/37/36/50/948373650.db2.gz WPANMXWHORNAMM-CABCVRRESA-N 2 2 370.921 3.509 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432418860 948373651 /nfs/dbraw/zinc/37/36/51/948373651.db2.gz WPANMXWHORNAMM-CABCVRRESA-N 2 2 370.921 3.509 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1Br ZINC000432418672 948373819 /nfs/dbraw/zinc/37/38/19/948373819.db2.gz UJPHTACVUQNCPJ-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1Br ZINC000432418672 948373823 /nfs/dbraw/zinc/37/38/23/948373823.db2.gz UJPHTACVUQNCPJ-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1Br ZINC000432418670 948373893 /nfs/dbraw/zinc/37/38/93/948373893.db2.gz UJPHTACVUQNCPJ-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1Br ZINC000432418670 948373901 /nfs/dbraw/zinc/37/39/01/948373901.db2.gz UJPHTACVUQNCPJ-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP CCOCOc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895110135 948632067 /nfs/dbraw/zinc/63/20/67/948632067.db2.gz ALQSEGARFOGYIC-WGSAOQKQSA-N 2 2 355.482 3.731 20 0 FHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000507808000 948726444 /nfs/dbraw/zinc/72/64/44/948726444.db2.gz AHZKTXZPONPUTL-HXUWFJFHSA-N 2 2 358.432 3.574 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109268097 206051694 /nfs/dbraw/zinc/05/16/94/206051694.db2.gz JHFUHIDEXQSUGP-HXUWFJFHSA-N 2 2 364.424 3.615 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109268097 206051699 /nfs/dbraw/zinc/05/16/99/206051699.db2.gz JHFUHIDEXQSUGP-HXUWFJFHSA-N 2 2 364.424 3.615 20 0 FHADLP c1cn(-c2ccc(C[NH2+]CCNc3ccc(-c4ccccc4)nn3)cc2)c[nH+]1 ZINC000507315756 516168811 /nfs/dbraw/zinc/16/88/11/516168811.db2.gz KGJLWSWFDBQLCL-UHFFFAOYSA-N 2 2 370.460 3.531 20 0 FHADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000563088026 567867302 /nfs/dbraw/zinc/86/73/02/567867302.db2.gz YAOKHAXAODEGJR-GOSISDBHSA-N 2 2 370.541 3.786 20 0 FHADLP Brc1cncc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000185835775 567868357 /nfs/dbraw/zinc/86/83/57/567868357.db2.gz AILBTLFPILCRSP-SFHVURJKSA-N 2 2 360.299 3.598 20 0 FHADLP Brc1cncc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000185835775 567868359 /nfs/dbraw/zinc/86/83/59/567868359.db2.gz AILBTLFPILCRSP-SFHVURJKSA-N 2 2 360.299 3.598 20 0 FHADLP CCc1cccc2c(CC[NH2+]C3CC[NH+](Cc4ccncc4)CC3)c[nH]c21 ZINC000161802840 567968867 /nfs/dbraw/zinc/96/88/67/567968867.db2.gz QWPQEVBCYBHYHO-UHFFFAOYSA-N 2 2 362.521 3.922 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000602656785 568006424 /nfs/dbraw/zinc/00/64/24/568006424.db2.gz NNMLQAYIFVRSLJ-QFBILLFUSA-N 2 2 354.450 3.524 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000602656785 568006425 /nfs/dbraw/zinc/00/64/25/568006425.db2.gz NNMLQAYIFVRSLJ-QFBILLFUSA-N 2 2 354.450 3.524 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000602656783 568006440 /nfs/dbraw/zinc/00/64/40/568006440.db2.gz NNMLQAYIFVRSLJ-LPHOPBHVSA-N 2 2 354.450 3.524 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000602656783 568006442 /nfs/dbraw/zinc/00/64/42/568006442.db2.gz NNMLQAYIFVRSLJ-LPHOPBHVSA-N 2 2 354.450 3.524 20 0 FHADLP C[NH+]1CCC(CC(=O)Nc2cccc(Cc3[nH]c4ccccc4[nH+]3)c2)CC1 ZINC000644842555 568182530 /nfs/dbraw/zinc/18/25/30/568182530.db2.gz PMEKNINHZPHKGY-UHFFFAOYSA-N 2 2 362.477 3.824 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135508 568267862 /nfs/dbraw/zinc/26/78/62/568267862.db2.gz LVVVSNBINSANDF-HZPDHXFCSA-N 2 2 352.906 3.569 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135508 568267863 /nfs/dbraw/zinc/26/78/63/568267863.db2.gz LVVVSNBINSANDF-HZPDHXFCSA-N 2 2 352.906 3.569 20 0 FHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050526 568282176 /nfs/dbraw/zinc/28/21/76/568282176.db2.gz BDNLOHOYGJVSMM-UHFFFAOYSA-N 2 2 362.477 3.644 20 0 FHADLP Clc1ccsc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390843079 568319719 /nfs/dbraw/zinc/31/97/19/568319719.db2.gz FAFBJNJTTUOETF-INIZCTEOSA-N 2 2 350.915 3.782 20 0 FHADLP Clc1ccsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390843079 568319720 /nfs/dbraw/zinc/31/97/20/568319720.db2.gz FAFBJNJTTUOETF-INIZCTEOSA-N 2 2 350.915 3.782 20 0 FHADLP Cc1cc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc(C2CC2)[nH+]1 ZINC000604756838 568365091 /nfs/dbraw/zinc/36/50/91/568365091.db2.gz JALRNXMHIMGHHL-UHFFFAOYSA-N 2 2 354.523 3.997 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365312766 568488849 /nfs/dbraw/zinc/48/88/49/568488849.db2.gz AAMXUSLLFXWZDG-XHDPSFHLSA-N 2 2 373.353 3.961 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@H+]2C)cn1 ZINC000365312766 568488851 /nfs/dbraw/zinc/48/88/51/568488851.db2.gz AAMXUSLLFXWZDG-XHDPSFHLSA-N 2 2 373.353 3.961 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621895 719082846 /nfs/dbraw/zinc/08/28/46/719082846.db2.gz IEKNQZZLAUQAOR-CTNGQTDRSA-N 2 2 351.494 3.970 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164621895 719082850 /nfs/dbraw/zinc/08/28/50/719082850.db2.gz IEKNQZZLAUQAOR-CTNGQTDRSA-N 2 2 351.494 3.970 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621901 719082866 /nfs/dbraw/zinc/08/28/66/719082866.db2.gz IEKNQZZLAUQAOR-TZIWHRDSSA-N 2 2 351.494 3.970 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621901 719082871 /nfs/dbraw/zinc/08/28/71/719082871.db2.gz IEKNQZZLAUQAOR-TZIWHRDSSA-N 2 2 351.494 3.970 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816498 720114126 /nfs/dbraw/zinc/11/41/26/720114126.db2.gz ZGOZFRBDFKNHMP-NZQKXSOJSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816498 720114130 /nfs/dbraw/zinc/11/41/30/720114130.db2.gz ZGOZFRBDFKNHMP-NZQKXSOJSA-N 2 2 365.521 3.728 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844880 720696656 /nfs/dbraw/zinc/69/66/56/720696656.db2.gz VTSVGHARROTCJS-LJQANCHMSA-N 2 2 369.484 3.789 20 0 FHADLP Cc1c(F)cc[nH+]c1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164844880 720696659 /nfs/dbraw/zinc/69/66/59/720696659.db2.gz VTSVGHARROTCJS-LJQANCHMSA-N 2 2 369.484 3.789 20 0 FHADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc[nH+]2)C1 ZINC001165048107 721977412 /nfs/dbraw/zinc/97/74/12/721977412.db2.gz JALZDDZPWWJNQZ-MOPGFXCFSA-N 2 2 357.546 3.558 20 0 FHADLP C[N@H+](Cc1csc(-c2ccoc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440462 937091957 /nfs/dbraw/zinc/09/19/57/937091957.db2.gz NTSAQQWZQTWGBS-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP C[N@@H+](Cc1csc(-c2ccoc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440462 937091960 /nfs/dbraw/zinc/09/19/60/937091960.db2.gz NTSAQQWZQTWGBS-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000683079507 927099809 /nfs/dbraw/zinc/09/98/09/927099809.db2.gz PUHATXHVPFITMI-DLBZAZTESA-N 2 2 371.529 3.644 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(F)(F)F)cs1 ZINC000274611411 927237805 /nfs/dbraw/zinc/23/78/05/927237805.db2.gz NNYMCEUJVWDXMD-NSHDSACASA-N 2 2 356.417 3.877 20 0 FHADLP CC1(C)OCc2cc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)ccc2O1 ZINC000274662311 927446760 /nfs/dbraw/zinc/44/67/60/927446760.db2.gz NJEHSNDZXDNHJF-UHFFFAOYSA-N 2 2 363.461 3.866 20 0 FHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278101869 937177845 /nfs/dbraw/zinc/17/78/45/937177845.db2.gz PHRJCLGXMYEPBD-RBUKOAKNSA-N 2 2 370.497 3.504 20 0 FHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000278101869 937177848 /nfs/dbraw/zinc/17/78/48/937177848.db2.gz PHRJCLGXMYEPBD-RBUKOAKNSA-N 2 2 370.497 3.504 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430234676 928362877 /nfs/dbraw/zinc/36/28/77/928362877.db2.gz BIDKHNNUDCHZBT-MRXNPFEDSA-N 2 2 352.251 3.930 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430234676 928362887 /nfs/dbraw/zinc/36/28/87/928362887.db2.gz BIDKHNNUDCHZBT-MRXNPFEDSA-N 2 2 352.251 3.930 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471164930 928407204 /nfs/dbraw/zinc/40/72/04/928407204.db2.gz KCLDUOHPFNBCLB-PKOBYXMFSA-N 2 2 371.525 3.635 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471164930 928407207 /nfs/dbraw/zinc/40/72/07/928407207.db2.gz KCLDUOHPFNBCLB-PKOBYXMFSA-N 2 2 371.525 3.635 20 0 FHADLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000583286127 937316076 /nfs/dbraw/zinc/31/60/76/937316076.db2.gz CVIIGXHPBDGSLO-UHFFFAOYSA-N 2 2 368.525 3.658 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000180156956 929407217 /nfs/dbraw/zinc/40/72/17/929407217.db2.gz NIZKHYYBYDEEPU-KRWDZBQOSA-N 2 2 373.463 3.813 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751374 937348442 /nfs/dbraw/zinc/34/84/42/937348442.db2.gz HSAGBAHWZUDHAV-QFIPXVFZSA-N 2 2 366.505 3.705 20 0 FHADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1C ZINC000657752264 937350458 /nfs/dbraw/zinc/35/04/58/937350458.db2.gz OLRPQYBHVVCHET-IBGZPJMESA-N 2 2 371.550 3.770 20 0 FHADLP Cn1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000683692273 929810010 /nfs/dbraw/zinc/81/00/10/929810010.db2.gz QOMMQTZPWWIYRT-ACDBMABISA-N 2 2 360.505 3.859 20 0 FHADLP Cn1nc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000683692273 929810017 /nfs/dbraw/zinc/81/00/17/929810017.db2.gz QOMMQTZPWWIYRT-ACDBMABISA-N 2 2 360.505 3.859 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@@H](C(F)(F)F)C1 ZINC000548036042 930096866 /nfs/dbraw/zinc/09/68/66/930096866.db2.gz LKPIPODRFNOTBH-IUODEOHRSA-N 2 2 359.417 3.507 20 0 FHADLP CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372120 930178260 /nfs/dbraw/zinc/17/82/60/930178260.db2.gz ZMVGPNYCSASPDX-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372120 930178262 /nfs/dbraw/zinc/17/82/62/930178262.db2.gz ZMVGPNYCSASPDX-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C)c(C(=O)OC)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372120 930178267 /nfs/dbraw/zinc/17/82/67/930178267.db2.gz ZMVGPNYCSASPDX-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C)c(C(=O)OC)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372120 930178269 /nfs/dbraw/zinc/17/82/69/930178269.db2.gz ZMVGPNYCSASPDX-IBGZPJMESA-N 2 2 370.493 3.719 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124372286 930344715 /nfs/dbraw/zinc/34/47/15/930344715.db2.gz KQZIJARQWOGCLI-NRFANRHFSA-N 2 2 362.477 3.893 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000124372286 930344718 /nfs/dbraw/zinc/34/47/18/930344718.db2.gz KQZIJARQWOGCLI-NRFANRHFSA-N 2 2 362.477 3.893 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000656253080 930854818 /nfs/dbraw/zinc/85/48/18/930854818.db2.gz IQKVGEQXPPWAQW-IBGZPJMESA-N 2 2 356.489 3.770 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000656253080 930854819 /nfs/dbraw/zinc/85/48/19/930854819.db2.gz IQKVGEQXPPWAQW-IBGZPJMESA-N 2 2 356.489 3.770 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000656253418 930876640 /nfs/dbraw/zinc/87/66/40/930876640.db2.gz LPTXBLODJPXCLJ-OAQYLSRUSA-N 2 2 352.526 3.939 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000656253418 930876645 /nfs/dbraw/zinc/87/66/45/930876645.db2.gz LPTXBLODJPXCLJ-OAQYLSRUSA-N 2 2 352.526 3.939 20 0 FHADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744243 931091939 /nfs/dbraw/zinc/09/19/39/931091939.db2.gz IGPNZJWBRJWXIL-SJCJKPOMSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744243 931091947 /nfs/dbraw/zinc/09/19/47/931091947.db2.gz IGPNZJWBRJWXIL-SJCJKPOMSA-N 2 2 362.315 3.545 20 0 FHADLP COc1cccc(C[C@H](C)[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000580860403 931275848 /nfs/dbraw/zinc/27/58/48/931275848.db2.gz ASJOTRUZWLUPBJ-BUKVSMQUSA-N 2 2 362.477 3.736 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CCCO)c3ccccc3)CC2)cc1 ZINC000160820270 931711276 /nfs/dbraw/zinc/71/12/76/931711276.db2.gz JVUNJKOEFVQHRC-HSZRJFAPSA-N 2 2 367.537 3.825 20 0 FHADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C1CC1 ZINC000430555928 931814225 /nfs/dbraw/zinc/81/42/25/931814225.db2.gz JRIKOOJYDOYZCT-HXUWFJFHSA-N 2 2 373.884 3.788 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313359 931817005 /nfs/dbraw/zinc/81/70/05/931817005.db2.gz CLHCCLNLZCKHSM-MSOLQXFVSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313359 931817012 /nfs/dbraw/zinc/81/70/12/931817012.db2.gz CLHCCLNLZCKHSM-MSOLQXFVSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581313359 931817018 /nfs/dbraw/zinc/81/70/18/931817018.db2.gz CLHCCLNLZCKHSM-MSOLQXFVSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581313359 931817024 /nfs/dbraw/zinc/81/70/24/931817024.db2.gz CLHCCLNLZCKHSM-MSOLQXFVSA-N 2 2 365.587 3.505 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560883 931849301 /nfs/dbraw/zinc/84/93/01/931849301.db2.gz YARGVAAMXQFLNI-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560883 931849308 /nfs/dbraw/zinc/84/93/08/931849308.db2.gz YARGVAAMXQFLNI-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000430562051 931870656 /nfs/dbraw/zinc/87/06/56/931870656.db2.gz PIGKMUAXZZQHFC-AEFFLSMTSA-N 2 2 372.340 3.620 20 0 FHADLP CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000510438722 932357004 /nfs/dbraw/zinc/35/70/04/932357004.db2.gz UXXHVENWVDZEDS-UHFFFAOYSA-N 2 2 362.477 3.562 20 0 FHADLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)c1 ZINC000510438722 932357011 /nfs/dbraw/zinc/35/70/11/932357011.db2.gz UXXHVENWVDZEDS-UHFFFAOYSA-N 2 2 362.477 3.562 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000684412681 932592681 /nfs/dbraw/zinc/59/26/81/932592681.db2.gz RNAWRYCXSLNZDA-MUYFXNHWSA-N 2 2 367.459 3.660 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@H](C[NH+]3CCCC3)c3ccccc3)CC2)n1 ZINC000581860417 932758539 /nfs/dbraw/zinc/75/85/39/932758539.db2.gz FKRINZBOKPANNT-SOAGJPPSSA-N 2 2 354.498 3.831 20 0 FHADLP CC(C)(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836077 933084446 /nfs/dbraw/zinc/08/44/46/933084446.db2.gz HRUWGVYPQPVFBT-QZTJIDSGSA-N 2 2 356.514 3.539 20 0 FHADLP CC(C)(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836077 933084454 /nfs/dbraw/zinc/08/44/54/933084454.db2.gz HRUWGVYPQPVFBT-QZTJIDSGSA-N 2 2 356.514 3.539 20 0 FHADLP C[C@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000510657434 933371444 /nfs/dbraw/zinc/37/14/44/933371444.db2.gz QCOMINWBEPGJML-QGZVFWFLSA-N 2 2 374.475 3.908 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC000891941576 934121426 /nfs/dbraw/zinc/12/14/26/934121426.db2.gz ATZBDZHCPRETPO-XLIONFOSSA-N 2 2 358.530 3.528 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)o1 ZINC000510932490 934188793 /nfs/dbraw/zinc/18/87/93/934188793.db2.gz BDZNKARULZYMFU-UHFFFAOYSA-N 2 2 360.255 3.941 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc2)o1 ZINC000510932490 934188804 /nfs/dbraw/zinc/18/88/04/934188804.db2.gz BDZNKARULZYMFU-UHFFFAOYSA-N 2 2 360.255 3.941 20 0 FHADLP CC(C)c1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000535679105 934259869 /nfs/dbraw/zinc/25/98/69/934259869.db2.gz FXMQMBFATXMNFV-UHFFFAOYSA-N 2 2 354.498 3.681 20 0 FHADLP CC(C)c1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000535679105 934259876 /nfs/dbraw/zinc/25/98/76/934259876.db2.gz FXMQMBFATXMNFV-UHFFFAOYSA-N 2 2 354.498 3.681 20 0 FHADLP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(OC(F)F)cc1C ZINC000535805506 934410692 /nfs/dbraw/zinc/41/06/92/934410692.db2.gz BAGMQIKUJDXQGS-ZIFCJYIRSA-N 2 2 368.468 3.588 20 0 FHADLP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(OC(F)F)cc1C ZINC000535805506 934410699 /nfs/dbraw/zinc/41/06/99/934410699.db2.gz BAGMQIKUJDXQGS-ZIFCJYIRSA-N 2 2 368.468 3.588 20 0 FHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000180962404 934430103 /nfs/dbraw/zinc/43/01/03/934430103.db2.gz PXCNKCSSXHPXMP-QGZVFWFLSA-N 2 2 356.466 3.662 20 0 FHADLP COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000610908741 934612669 /nfs/dbraw/zinc/61/26/69/934612669.db2.gz ARRGEKOVURBSNI-FQEVSTJZSA-N 2 2 363.461 3.902 20 0 FHADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CCN(c3ccccc3)CC2)[nH+]1 ZINC000132227923 934811964 /nfs/dbraw/zinc/81/19/64/934811964.db2.gz QUCOEUIPMRDNDH-UHFFFAOYSA-N 2 2 360.505 3.733 20 0 FHADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000472058052 934909687 /nfs/dbraw/zinc/90/96/87/934909687.db2.gz CYHJUHZDMCURBP-RBBKRZOGSA-N 2 2 370.562 3.771 20 0 FHADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000472058052 934909688 /nfs/dbraw/zinc/90/96/88/934909688.db2.gz CYHJUHZDMCURBP-RBBKRZOGSA-N 2 2 370.562 3.771 20 0 FHADLP COc1ccsc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000472133880 935120556 /nfs/dbraw/zinc/12/05/56/935120556.db2.gz CUYOYMDXQLZDRS-KRWDZBQOSA-N 2 2 359.539 3.620 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000582066141 935199594 /nfs/dbraw/zinc/19/95/94/935199594.db2.gz RBLDRENMTMWBAV-NRFANRHFSA-N 2 2 352.482 3.793 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000582066141 935199598 /nfs/dbraw/zinc/19/95/98/935199598.db2.gz RBLDRENMTMWBAV-NRFANRHFSA-N 2 2 352.482 3.793 20 0 FHADLP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000657329817 935237478 /nfs/dbraw/zinc/23/74/78/935237478.db2.gz WTMZOAIFJOFERN-INIZCTEOSA-N 2 2 369.440 3.715 20 0 FHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1=O ZINC000518164713 945091172 /nfs/dbraw/zinc/09/11/72/945091172.db2.gz VSFDNVCLDSSCKE-PLBGURBNSA-N 2 2 367.468 3.612 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(N2CCOC2=O)c1 ZINC000152239707 935328674 /nfs/dbraw/zinc/32/86/74/935328674.db2.gz BOHJXPKHWNLRKX-MRXNPFEDSA-N 2 2 362.433 3.680 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365399 935385823 /nfs/dbraw/zinc/38/58/23/935385823.db2.gz ABOMYRMABPHGOZ-YJBOKZPZSA-N 2 2 366.431 3.910 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365399 935385827 /nfs/dbraw/zinc/38/58/27/935385827.db2.gz ABOMYRMABPHGOZ-YJBOKZPZSA-N 2 2 366.431 3.910 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000657375415 935450875 /nfs/dbraw/zinc/45/08/75/935450875.db2.gz YEGFPGFTZYTMAZ-JXFKEZNVSA-N 3 2 367.522 3.502 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000657375415 935450878 /nfs/dbraw/zinc/45/08/78/935450878.db2.gz YEGFPGFTZYTMAZ-JXFKEZNVSA-N 3 2 367.522 3.502 20 0 FHADLP C[N@H+](CCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000548719785 935492805 /nfs/dbraw/zinc/49/28/05/935492805.db2.gz DEEWOQCXGJPUBY-UHFFFAOYSA-N 2 2 372.557 3.580 20 0 FHADLP C[N@@H+](CCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CCCCC1 ZINC000548719785 935492807 /nfs/dbraw/zinc/49/28/07/935492807.db2.gz DEEWOQCXGJPUBY-UHFFFAOYSA-N 2 2 372.557 3.580 20 0 FHADLP Cc1[nH+]cc(C[NH2+]CC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)n1C ZINC000657388580 935511212 /nfs/dbraw/zinc/51/12/12/935511212.db2.gz FZLQDWCFSPPRSK-UHFFFAOYSA-N 2 2 354.498 3.634 20 0 FHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccccc1)C2 ZINC000582330240 935533751 /nfs/dbraw/zinc/53/37/51/935533751.db2.gz IXHKGHMOAHPIHG-IBGZPJMESA-N 2 2 369.472 3.910 20 0 FHADLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000582489416 935771946 /nfs/dbraw/zinc/77/19/46/935771946.db2.gz CDQVTBWJZFLUMY-OPAMFIHVSA-N 2 2 374.475 3.683 20 0 FHADLP Cc1nn(-c2ccccc2)c(C)c1[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152747398 935854157 /nfs/dbraw/zinc/85/41/57/935854157.db2.gz PKAIFNCUTPTJKI-MRXNPFEDSA-N 2 2 363.509 3.915 20 0 FHADLP CC(=O)Nc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114480592 935856563 /nfs/dbraw/zinc/85/65/63/935856563.db2.gz ZOYSSSKTUQJDRI-UHFFFAOYSA-N 2 2 351.494 3.741 20 0 FHADLP CC(=O)Nc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000114480592 935856565 /nfs/dbraw/zinc/85/65/65/935856565.db2.gz ZOYSSSKTUQJDRI-UHFFFAOYSA-N 2 2 351.494 3.741 20 0 FHADLP CCc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)s1 ZINC000152815134 935869127 /nfs/dbraw/zinc/86/91/27/935869127.db2.gz TWQQGCHBTFIDFO-OAHLLOKOSA-N 2 2 358.555 3.767 20 0 FHADLP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152844432 935871266 /nfs/dbraw/zinc/87/12/66/935871266.db2.gz DIHNDEHRWNNGDG-GOSISDBHSA-N 2 2 353.510 3.756 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])n2)CC1 ZINC000582724162 935989435 /nfs/dbraw/zinc/98/94/35/935989435.db2.gz BYBUNQLXILMLSZ-IRXDYDNUSA-N 2 2 364.559 3.611 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000106214357 945138883 /nfs/dbraw/zinc/13/88/83/945138883.db2.gz GTBRLIBKFRWYMA-KBPBESRZSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000106214357 945138885 /nfs/dbraw/zinc/13/88/85/945138885.db2.gz GTBRLIBKFRWYMA-KBPBESRZSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000106215209 945138999 /nfs/dbraw/zinc/13/89/99/945138999.db2.gz UCBRRUQKGOBZIW-RDJZCZTQSA-N 2 2 358.461 3.557 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000106215209 945139003 /nfs/dbraw/zinc/13/90/03/945139003.db2.gz UCBRRUQKGOBZIW-RDJZCZTQSA-N 2 2 358.461 3.557 20 0 FHADLP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582754104 936078289 /nfs/dbraw/zinc/07/82/89/936078289.db2.gz LAXOLKCNHINATD-MJGOQNOKSA-N 2 2 352.869 3.889 20 0 FHADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000583455068 938259916 /nfs/dbraw/zinc/25/99/16/938259916.db2.gz MMMWJESUYSRBSB-GOTSBHOMSA-N 2 2 360.505 3.857 20 0 FHADLP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000583455068 938259917 /nfs/dbraw/zinc/25/99/17/938259917.db2.gz MMMWJESUYSRBSB-GOTSBHOMSA-N 2 2 360.505 3.857 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798740 938278056 /nfs/dbraw/zinc/27/80/56/938278056.db2.gz VRGBOEUDNIPYOB-FQEVSTJZSA-N 2 2 364.537 3.852 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798740 938278058 /nfs/dbraw/zinc/27/80/58/938278058.db2.gz VRGBOEUDNIPYOB-FQEVSTJZSA-N 2 2 364.537 3.852 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067854 938301252 /nfs/dbraw/zinc/30/12/52/938301252.db2.gz DFKNBSJUWYFMIB-PKOBYXMFSA-N 2 2 374.488 3.904 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536067854 938301254 /nfs/dbraw/zinc/30/12/54/938301254.db2.gz DFKNBSJUWYFMIB-PKOBYXMFSA-N 2 2 374.488 3.904 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000650720901 938309522 /nfs/dbraw/zinc/30/95/22/938309522.db2.gz GHHHGWVFZLOEFH-QGZVFWFLSA-N 2 2 355.448 3.810 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582921 938309779 /nfs/dbraw/zinc/30/97/79/938309779.db2.gz JWMJGOFJSCLZSM-CABCVRRESA-N 2 2 363.502 3.854 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582921 938309780 /nfs/dbraw/zinc/30/97/80/938309780.db2.gz JWMJGOFJSCLZSM-CABCVRRESA-N 2 2 363.502 3.854 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582923 938309819 /nfs/dbraw/zinc/30/98/19/938309819.db2.gz JWMJGOFJSCLZSM-HUUCEWRRSA-N 2 2 363.502 3.854 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582923 938309820 /nfs/dbraw/zinc/30/98/20/938309820.db2.gz JWMJGOFJSCLZSM-HUUCEWRRSA-N 2 2 363.502 3.854 20 0 FHADLP CC(C)C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC000583700682 938365976 /nfs/dbraw/zinc/36/59/76/938365976.db2.gz UKKBJEIFUUCKQY-QWFCFKBJSA-N 2 2 356.514 3.716 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703522 938366191 /nfs/dbraw/zinc/36/61/91/938366191.db2.gz ADMNBEZEACTWCF-SJORKVTESA-N 2 2 354.523 3.959 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703522 938366192 /nfs/dbraw/zinc/36/61/92/938366192.db2.gz ADMNBEZEACTWCF-SJORKVTESA-N 2 2 354.523 3.959 20 0 FHADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)nnn1-c1ccc(Cl)cc1 ZINC000650753735 938403474 /nfs/dbraw/zinc/40/34/74/938403474.db2.gz UQMYGFVFWSJTOW-LBPRGKRZSA-N 2 2 373.863 3.678 20 0 FHADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151307414 938525622 /nfs/dbraw/zinc/52/56/22/938525622.db2.gz LUEPJKUJAMQOAY-OAQYLSRUSA-N 2 2 363.461 3.944 20 0 FHADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000151355782 938533443 /nfs/dbraw/zinc/53/34/43/938533443.db2.gz WJACZOVXLKWFKM-CYBMUJFWSA-N 2 2 363.354 3.869 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551620 /nfs/dbraw/zinc/55/16/20/938551620.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 3 2 372.601 3.640 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551622 /nfs/dbraw/zinc/55/16/22/938551622.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 3 2 372.601 3.640 20 0 FHADLP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551623 /nfs/dbraw/zinc/55/16/23/938551623.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 3 2 372.601 3.640 20 0 FHADLP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158598163 938551624 /nfs/dbraw/zinc/55/16/24/938551624.db2.gz FWRPCCDQFFBZSH-OQLXKQOESA-N 3 2 372.601 3.640 20 0 FHADLP C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000584110967 938605470 /nfs/dbraw/zinc/60/54/70/938605470.db2.gz CTMNTJCFWWSEHT-CRAIPNDOSA-N 2 2 372.538 3.650 20 0 FHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635484534 938606336 /nfs/dbraw/zinc/60/63/36/938606336.db2.gz YQZZUAMQDDJDCY-MRXNPFEDSA-N 2 2 366.387 3.741 20 0 FHADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635484534 938606337 /nfs/dbraw/zinc/60/63/37/938606337.db2.gz YQZZUAMQDDJDCY-MRXNPFEDSA-N 2 2 366.387 3.741 20 0 FHADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691457 938632355 /nfs/dbraw/zinc/63/23/55/938632355.db2.gz UTOFGTKRXOZSDT-KGLIPLIRSA-N 2 2 374.286 3.571 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302093 938677621 /nfs/dbraw/zinc/67/76/21/938677621.db2.gz RYOZKHSTTYNDMM-NXWXRZEISA-N 3 2 369.475 3.948 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302093 938677622 /nfs/dbraw/zinc/67/76/22/938677622.db2.gz RYOZKHSTTYNDMM-NXWXRZEISA-N 3 2 369.475 3.948 20 0 FHADLP COc1ccc(C)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968898 938710726 /nfs/dbraw/zinc/71/07/26/938710726.db2.gz IQMZMIOOFVFJEM-UHFFFAOYSA-N 2 2 353.510 3.538 20 0 FHADLP COc1ccc(C)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968898 938710728 /nfs/dbraw/zinc/71/07/28/938710728.db2.gz IQMZMIOOFVFJEM-UHFFFAOYSA-N 2 2 353.510 3.538 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(-c2ccncc2)cs1 ZINC000090046279 938868538 /nfs/dbraw/zinc/86/85/38/938868538.db2.gz QJTAICSGHVHBDE-OAHLLOKOSA-N 2 2 365.506 3.920 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073247 938910887 /nfs/dbraw/zinc/91/08/87/938910887.db2.gz MQYFQBXYMXMOQD-OAHLLOKOSA-N 2 2 371.435 3.870 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073247 938910888 /nfs/dbraw/zinc/91/08/88/938910888.db2.gz MQYFQBXYMXMOQD-OAHLLOKOSA-N 2 2 371.435 3.870 20 0 FHADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)s3)CC2)C1 ZINC000668741537 938980656 /nfs/dbraw/zinc/98/06/56/938980656.db2.gz TZIHSLIHWMZHSD-SFHVURJKSA-N 2 2 360.498 3.585 20 0 FHADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)s3)CC2)C1 ZINC000668741537 938980658 /nfs/dbraw/zinc/98/06/58/938980658.db2.gz TZIHSLIHWMZHSD-SFHVURJKSA-N 2 2 360.498 3.585 20 0 FHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)s3)CC2)C1 ZINC000668741536 938980746 /nfs/dbraw/zinc/98/07/46/938980746.db2.gz TZIHSLIHWMZHSD-GOSISDBHSA-N 2 2 360.498 3.585 20 0 FHADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccc(F)cc4)s3)CC2)C1 ZINC000668741536 938980747 /nfs/dbraw/zinc/98/07/47/938980747.db2.gz TZIHSLIHWMZHSD-GOSISDBHSA-N 2 2 360.498 3.585 20 0 FHADLP Cc1noc([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000685448139 938987738 /nfs/dbraw/zinc/98/77/38/938987738.db2.gz QUZFISOPNYXCKD-FQEVSTJZSA-N 2 2 370.497 3.580 20 0 FHADLP Cc1noc([C@@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000685448139 938987739 /nfs/dbraw/zinc/98/77/39/938987739.db2.gz QUZFISOPNYXCKD-FQEVSTJZSA-N 2 2 370.497 3.580 20 0 FHADLP CN(Cc1c(Cl)oc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457540 938987925 /nfs/dbraw/zinc/98/79/25/938987925.db2.gz DFKNVODMNGEEFQ-INIZCTEOSA-N 2 2 361.917 3.687 20 0 FHADLP CN(Cc1c(Cl)oc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457540 938987926 /nfs/dbraw/zinc/98/79/26/938987926.db2.gz DFKNVODMNGEEFQ-INIZCTEOSA-N 2 2 361.917 3.687 20 0 FHADLP FC(F)(F)c1cc(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000685629706 939006371 /nfs/dbraw/zinc/00/63/71/939006371.db2.gz OKIXZXHHZMGTKE-LBPRGKRZSA-N 2 2 374.204 3.838 20 0 FHADLP COC[C@@H](CC1CCOCC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000657928664 939008164 /nfs/dbraw/zinc/00/81/64/939008164.db2.gz ADVYHANJATWYSX-IFMALSPDSA-N 2 2 371.525 3.663 20 0 FHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658019967 939018959 /nfs/dbraw/zinc/01/89/59/939018959.db2.gz PWWJEOALNDGHQM-DOTOQJQBSA-N 2 2 362.315 3.886 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2cc1OC ZINC000658019749 939018965 /nfs/dbraw/zinc/01/89/65/939018965.db2.gz PGFZDRHBDBVGHY-GUYCJALGSA-N 2 2 351.450 3.788 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089623 939022200 /nfs/dbraw/zinc/02/22/00/939022200.db2.gz AKAWKWLVRYJCQD-DOTOQJQBSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089623 939022201 /nfs/dbraw/zinc/02/22/01/939022201.db2.gz AKAWKWLVRYJCQD-DOTOQJQBSA-N 2 2 365.949 3.539 20 0 FHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658292242 939099426 /nfs/dbraw/zinc/09/94/26/939099426.db2.gz SHDBAAAJKLEGMX-GDBMZVCRSA-N 2 2 354.441 3.500 20 0 FHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293065 939100347 /nfs/dbraw/zinc/10/03/47/939100347.db2.gz CQKJCNMCFTXZCT-PBHICJAKSA-N 2 2 352.906 3.643 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294030 939100356 /nfs/dbraw/zinc/10/03/56/939100356.db2.gz LHEFCXYLCNBBBQ-PKOBYXMFSA-N 2 2 364.917 3.705 20 0 FHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000658294085 939100681 /nfs/dbraw/zinc/10/06/81/939100681.db2.gz FXNHHIVDBVNWNZ-FQEVSTJZSA-N 3 2 365.606 3.509 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1OC ZINC000658295299 939101150 /nfs/dbraw/zinc/10/11/50/939101150.db2.gz RPPCKDGPRSRGFA-FUHWJXTLSA-N 2 2 352.906 3.643 20 0 FHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658296315 939102347 /nfs/dbraw/zinc/10/23/47/939102347.db2.gz YTGDNVOOQPZJPX-TZIWHRDSSA-N 2 2 358.526 3.867 20 0 FHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000519291807 945279067 /nfs/dbraw/zinc/27/90/67/945279067.db2.gz JXZAWCCGLPSHHZ-NRFANRHFSA-N 2 2 369.484 3.889 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804895 939920581 /nfs/dbraw/zinc/92/05/81/939920581.db2.gz KBCJSAPFQFWMPV-YVLOFKIZSA-N 2 2 357.448 3.873 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804895 939920583 /nfs/dbraw/zinc/92/05/83/939920583.db2.gz KBCJSAPFQFWMPV-YVLOFKIZSA-N 2 2 357.448 3.873 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480943 940064238 /nfs/dbraw/zinc/06/42/38/940064238.db2.gz FILMPWLVXYOETR-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647480943 940064242 /nfs/dbraw/zinc/06/42/42/940064242.db2.gz FILMPWLVXYOETR-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000570319030 940250360 /nfs/dbraw/zinc/25/03/60/940250360.db2.gz NHQXUAYXFIAARB-PBHICJAKSA-N 2 2 354.922 3.909 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000570319030 940250363 /nfs/dbraw/zinc/25/03/63/940250363.db2.gz NHQXUAYXFIAARB-PBHICJAKSA-N 2 2 354.922 3.909 20 0 FHADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000570319030 940250365 /nfs/dbraw/zinc/25/03/65/940250365.db2.gz NHQXUAYXFIAARB-PBHICJAKSA-N 2 2 354.922 3.909 20 0 FHADLP CCCOc1c(Cl)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000570319030 940250367 /nfs/dbraw/zinc/25/03/67/940250367.db2.gz NHQXUAYXFIAARB-PBHICJAKSA-N 2 2 354.922 3.909 20 0 FHADLP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)c1 ZINC000376071236 940271853 /nfs/dbraw/zinc/27/18/53/940271853.db2.gz WOWHXDWLHBSIRW-UHFFFAOYSA-N 2 2 359.495 3.681 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H](C)[C@H]3C[NH3+])c2)cc1 ZINC000647496814 940357354 /nfs/dbraw/zinc/35/73/54/940357354.db2.gz VBNDHRUBYMPDHM-HRAATJIYSA-N 2 2 367.493 3.507 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H](C)[C@H]3C[NH3+])c2)cc1 ZINC000647496814 940357357 /nfs/dbraw/zinc/35/73/57/940357357.db2.gz VBNDHRUBYMPDHM-HRAATJIYSA-N 2 2 367.493 3.507 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCc4cc(Cl)ccc43)CCC[N@@H+]2C)cn1 ZINC000376169005 940406152 /nfs/dbraw/zinc/40/61/52/940406152.db2.gz ZFTNKIPSJIHSGA-UIAACRFSSA-N 2 2 358.917 3.734 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCc4cc(Cl)ccc43)CCC[N@H+]2C)cn1 ZINC000376169005 940406154 /nfs/dbraw/zinc/40/61/54/940406154.db2.gz ZFTNKIPSJIHSGA-UIAACRFSSA-N 2 2 358.917 3.734 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431800953 940602746 /nfs/dbraw/zinc/60/27/46/940602746.db2.gz XZYCVEJWQVZGDV-XLIONFOSSA-N 2 2 371.550 3.646 20 0 FHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641309 940647687 /nfs/dbraw/zinc/64/76/87/940647687.db2.gz DEACINSULFJZGL-FGTMMUONSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641309 940647689 /nfs/dbraw/zinc/64/76/89/940647689.db2.gz DEACINSULFJZGL-FGTMMUONSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173641309 940647692 /nfs/dbraw/zinc/64/76/92/940647692.db2.gz DEACINSULFJZGL-FGTMMUONSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641309 940647693 /nfs/dbraw/zinc/64/76/93/940647693.db2.gz DEACINSULFJZGL-FGTMMUONSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641337 940647855 /nfs/dbraw/zinc/64/78/55/940647855.db2.gz DEACINSULFJZGL-SQNIBIBYSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641337 940647856 /nfs/dbraw/zinc/64/78/56/940647856.db2.gz DEACINSULFJZGL-SQNIBIBYSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173641337 940647857 /nfs/dbraw/zinc/64/78/57/940647857.db2.gz DEACINSULFJZGL-SQNIBIBYSA-N 2 2 363.571 3.606 20 0 FHADLP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641337 940647858 /nfs/dbraw/zinc/64/78/58/940647858.db2.gz DEACINSULFJZGL-SQNIBIBYSA-N 2 2 363.571 3.606 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000472575003 940890038 /nfs/dbraw/zinc/89/00/38/940890038.db2.gz UBDXUADJNCXUPI-QGZVFWFLSA-N 2 2 367.940 3.514 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000472575003 940890040 /nfs/dbraw/zinc/89/00/40/940890040.db2.gz UBDXUADJNCXUPI-QGZVFWFLSA-N 2 2 367.940 3.514 20 0 FHADLP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4c(O)cccc34)c2)CCO1 ZINC000685904972 940935485 /nfs/dbraw/zinc/93/54/85/940935485.db2.gz ZDBWZCMMWTVUSR-INIZCTEOSA-N 2 2 363.461 3.773 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4c(O)cccc34)c2)CCO1 ZINC000685904972 940935489 /nfs/dbraw/zinc/93/54/89/940935489.db2.gz ZDBWZCMMWTVUSR-INIZCTEOSA-N 2 2 363.461 3.773 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c(C)[nH+]1 ZINC000659014285 941008945 /nfs/dbraw/zinc/00/89/45/941008945.db2.gz JHNOJLGDTHKOLS-CRAIPNDOSA-N 2 2 374.435 3.552 20 0 FHADLP CN1CC[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c2ccccc21 ZINC000376845564 941449488 /nfs/dbraw/zinc/44/94/88/941449488.db2.gz XZXKLLZTXIBENS-HNNXBMFYSA-N 2 2 355.448 3.617 20 0 FHADLP COC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1F ZINC000376835351 941449932 /nfs/dbraw/zinc/44/99/32/941449932.db2.gz SUJIZYDQQUSZHN-MRXNPFEDSA-N 2 2 351.853 3.532 20 0 FHADLP COc1ncc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1Cl ZINC000377114634 941523616 /nfs/dbraw/zinc/52/36/16/941523616.db2.gz NDPRUEYGTSEBAX-LBPRGKRZSA-N 2 2 360.820 3.919 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCCO2 ZINC000377167907 941534805 /nfs/dbraw/zinc/53/48/05/941534805.db2.gz GYZLJNYPWFVFHU-MRXNPFEDSA-N 2 2 353.466 3.563 20 0 FHADLP CC(C)C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccn1 ZINC000163689305 941547834 /nfs/dbraw/zinc/54/78/34/941547834.db2.gz UPEIITJQUULSHE-QFIPXVFZSA-N 2 2 353.510 3.791 20 0 FHADLP C[NH2+]CCC[N@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415137933 941626321 /nfs/dbraw/zinc/62/63/21/941626321.db2.gz UMUONORHQRKTMY-UHFFFAOYSA-N 2 2 354.317 3.614 20 0 FHADLP C[NH2+]CCC[N@@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000415137933 941626324 /nfs/dbraw/zinc/62/63/24/941626324.db2.gz UMUONORHQRKTMY-UHFFFAOYSA-N 2 2 354.317 3.614 20 0 FHADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000433621460 941788908 /nfs/dbraw/zinc/78/89/08/941788908.db2.gz JATJYTZQEDDLFJ-SFHVURJKSA-N 2 2 371.554 3.525 20 0 FHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000513334910 941858710 /nfs/dbraw/zinc/85/87/10/941858710.db2.gz ACMINFHHYHUZCK-UHFFFAOYSA-N 2 2 371.550 3.548 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000377649296 941869056 /nfs/dbraw/zinc/86/90/56/941869056.db2.gz MCEVTMBBPFEMRG-JDFRZJQESA-N 2 2 365.930 3.632 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000377649296 941869058 /nfs/dbraw/zinc/86/90/58/941869058.db2.gz MCEVTMBBPFEMRG-JDFRZJQESA-N 2 2 365.930 3.632 20 0 FHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765245 941882604 /nfs/dbraw/zinc/88/26/04/941882604.db2.gz HGMFTSMKDKWUBG-QUCCMNQESA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765245 941882611 /nfs/dbraw/zinc/88/26/11/941882611.db2.gz HGMFTSMKDKWUBG-QUCCMNQESA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765245 941882613 /nfs/dbraw/zinc/88/26/13/941882613.db2.gz HGMFTSMKDKWUBG-QUCCMNQESA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765245 941882618 /nfs/dbraw/zinc/88/26/18/941882618.db2.gz HGMFTSMKDKWUBG-QUCCMNQESA-N 2 2 365.525 3.789 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713495 941919625 /nfs/dbraw/zinc/91/96/25/941919625.db2.gz XXLGIBGDJCZXOA-SFHVURJKSA-N 2 2 350.466 3.925 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713495 941919628 /nfs/dbraw/zinc/91/96/28/941919628.db2.gz XXLGIBGDJCZXOA-SFHVURJKSA-N 2 2 350.466 3.925 20 0 FHADLP CCC([NH3+])(CC)CNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415599645 941939048 /nfs/dbraw/zinc/93/90/48/941939048.db2.gz RDLPMBHITIJWEV-UHFFFAOYSA-N 2 2 355.486 3.525 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000377779857 941984020 /nfs/dbraw/zinc/98/40/20/941984020.db2.gz CBDXHCBUDPQHEM-PHYPQJFDSA-N 2 2 371.550 3.974 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000377779857 941984022 /nfs/dbraw/zinc/98/40/22/941984022.db2.gz CBDXHCBUDPQHEM-PHYPQJFDSA-N 2 2 371.550 3.974 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CCCO1 ZINC000430031985 941986257 /nfs/dbraw/zinc/98/62/57/941986257.db2.gz AWIHWQJKHVRNJR-MRXNPFEDSA-N 2 2 366.933 3.719 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CCCO1 ZINC000430031985 941986261 /nfs/dbraw/zinc/98/62/61/941986261.db2.gz AWIHWQJKHVRNJR-MRXNPFEDSA-N 2 2 366.933 3.719 20 0 FHADLP CC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)OCCc2ccccc21 ZINC000377798593 941996043 /nfs/dbraw/zinc/99/60/43/941996043.db2.gz KJNHGUCBBSPQKR-QHCPKHFHSA-N 2 2 365.521 3.514 20 0 FHADLP CC(C)Oc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434004638 942029896 /nfs/dbraw/zinc/02/98/96/942029896.db2.gz CKXNNDJDYDWEGJ-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434004638 942029899 /nfs/dbraw/zinc/02/98/99/942029899.db2.gz CKXNNDJDYDWEGJ-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434004638 942029901 /nfs/dbraw/zinc/02/99/01/942029901.db2.gz CKXNNDJDYDWEGJ-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434004638 942029904 /nfs/dbraw/zinc/02/99/04/942029904.db2.gz CKXNNDJDYDWEGJ-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434001290 942035839 /nfs/dbraw/zinc/03/58/39/942035839.db2.gz HRZOCDNICYOCPE-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434001290 942035844 /nfs/dbraw/zinc/03/58/44/942035844.db2.gz HRZOCDNICYOCPE-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434001290 942035849 /nfs/dbraw/zinc/03/58/49/942035849.db2.gz HRZOCDNICYOCPE-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434001290 942035852 /nfs/dbraw/zinc/03/58/52/942035852.db2.gz HRZOCDNICYOCPE-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)CC1 ZINC000420630203 942128723 /nfs/dbraw/zinc/12/87/23/942128723.db2.gz SLVOOVKGLLGUSE-UHFFFAOYSA-N 2 2 373.589 3.720 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(c3cc(C(C)C)nc(C(C)C)n3)CC2)CC1 ZINC000420630203 942128726 /nfs/dbraw/zinc/12/87/26/942128726.db2.gz SLVOOVKGLLGUSE-UHFFFAOYSA-N 2 2 373.589 3.720 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502013036 942172015 /nfs/dbraw/zinc/17/20/15/942172015.db2.gz GFDDUTXEOKIVPD-PMACEKPBSA-N 2 2 356.514 3.524 20 0 FHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000420813910 942219940 /nfs/dbraw/zinc/21/99/40/942219940.db2.gz VYMAGXVMRYMEDT-WIYYLYMNSA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000420813910 942219943 /nfs/dbraw/zinc/21/99/43/942219943.db2.gz VYMAGXVMRYMEDT-WIYYLYMNSA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)cc(C)[nH+]1 ZINC000420853588 942231092 /nfs/dbraw/zinc/23/10/92/942231092.db2.gz XWOFSHXJRSEXMG-UHFFFAOYSA-N 2 2 366.509 3.552 20 0 FHADLP Cc1cc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)cc(C)[nH+]1 ZINC000420853588 942231098 /nfs/dbraw/zinc/23/10/98/942231098.db2.gz XWOFSHXJRSEXMG-UHFFFAOYSA-N 2 2 366.509 3.552 20 0 FHADLP Cc1cc(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000420903951 942246571 /nfs/dbraw/zinc/24/65/71/942246571.db2.gz BCJNLGXXWOQVJK-SFHVURJKSA-N 2 2 366.509 3.723 20 0 FHADLP Cc1cccnc1[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000420931534 942260916 /nfs/dbraw/zinc/26/09/16/942260916.db2.gz GAMDWYQASUGUOH-NRFANRHFSA-N 2 2 353.510 3.709 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420938882 942264651 /nfs/dbraw/zinc/26/46/51/942264651.db2.gz BDOURDKDASRUAP-SFHVURJKSA-N 2 2 356.432 3.683 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420938882 942264653 /nfs/dbraw/zinc/26/46/53/942264653.db2.gz BDOURDKDASRUAP-SFHVURJKSA-N 2 2 356.432 3.683 20 0 FHADLP CCc1cccc(C)c1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421039150 942312251 /nfs/dbraw/zinc/31/22/51/942312251.db2.gz SOBBSOLCAXDSBZ-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP CCc1cccc(C)c1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421039150 942312255 /nfs/dbraw/zinc/31/22/55/942312255.db2.gz SOBBSOLCAXDSBZ-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414419487 942325568 /nfs/dbraw/zinc/32/55/68/942325568.db2.gz ZSCJJCZUGHUWNI-VGSWGCGISA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000414419487 942325574 /nfs/dbraw/zinc/32/55/74/942325574.db2.gz ZSCJJCZUGHUWNI-VGSWGCGISA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000414419487 942325578 /nfs/dbraw/zinc/32/55/78/942325578.db2.gz ZSCJJCZUGHUWNI-VGSWGCGISA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000414419487 942325580 /nfs/dbraw/zinc/32/55/80/942325580.db2.gz ZSCJJCZUGHUWNI-VGSWGCGISA-N 2 2 368.500 3.769 20 0 FHADLP C[C@@H]([NH2+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCOCC1)c1ccccc1 ZINC000502279399 942329096 /nfs/dbraw/zinc/32/90/96/942329096.db2.gz HCJPIKNOMVTYFK-CTNGQTDRSA-N 2 2 372.553 3.825 20 0 FHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3o2)[C@@H](C)C1 ZINC000463085323 942354179 /nfs/dbraw/zinc/35/41/79/942354179.db2.gz LZIQEKGAYJURRX-SWLSCSKDSA-N 2 2 366.303 3.752 20 0 FHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3o2)[C@@H](C)C1 ZINC000463085323 942354185 /nfs/dbraw/zinc/35/41/85/942354185.db2.gz LZIQEKGAYJURRX-SWLSCSKDSA-N 2 2 366.303 3.752 20 0 FHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(Br)cc3o2)[C@@H](C)C1 ZINC000463085323 942354187 /nfs/dbraw/zinc/35/41/87/942354187.db2.gz LZIQEKGAYJURRX-SWLSCSKDSA-N 2 2 366.303 3.752 20 0 FHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Br)cc3o2)[C@@H](C)C1 ZINC000463085323 942354191 /nfs/dbraw/zinc/35/41/91/942354191.db2.gz LZIQEKGAYJURRX-SWLSCSKDSA-N 2 2 366.303 3.752 20 0 FHADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324894 942355713 /nfs/dbraw/zinc/35/57/13/942355713.db2.gz FTOFWKGIYPMPGX-MRXNPFEDSA-N 2 2 373.570 3.902 20 0 FHADLP COc1cc(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000502312507 942360913 /nfs/dbraw/zinc/36/09/13/942360913.db2.gz ZBFLBSFBYRVFSE-KRWDZBQOSA-N 2 2 354.498 3.619 20 0 FHADLP COc1cc(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000502312507 942360917 /nfs/dbraw/zinc/36/09/17/942360917.db2.gz ZBFLBSFBYRVFSE-KRWDZBQOSA-N 2 2 354.498 3.619 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205355 942387421 /nfs/dbraw/zinc/38/74/21/942387421.db2.gz VVQKHNRWYLDWLM-HZPDHXFCSA-N 2 2 365.481 3.881 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205355 942387427 /nfs/dbraw/zinc/38/74/27/942387427.db2.gz VVQKHNRWYLDWLM-HZPDHXFCSA-N 2 2 365.481 3.881 20 0 FHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000893202400 942576969 /nfs/dbraw/zinc/57/69/69/942576969.db2.gz HPQJIXXZSOXPQE-KRWDZBQOSA-N 2 2 355.530 3.791 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@](C)(C[NH3+])C(C)C)on1 ZINC000420319360 942620145 /nfs/dbraw/zinc/62/01/45/942620145.db2.gz PIAKQEBAQOAJBF-OAQYLSRUSA-N 2 2 353.466 3.966 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342495 942624888 /nfs/dbraw/zinc/62/48/88/942624888.db2.gz PLEOQBSFRVBCEY-DOMZBBRYSA-N 2 2 370.324 3.784 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414527010 942639164 /nfs/dbraw/zinc/63/91/64/942639164.db2.gz MCRSVOOYYKCLTI-FQEVSTJZSA-N 2 2 373.566 3.978 20 0 FHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)C1CCCCC1 ZINC000420367765 942642064 /nfs/dbraw/zinc/64/20/64/942642064.db2.gz WBJUPTFJUGNJLY-QFIPXVFZSA-N 2 2 365.521 3.713 20 0 FHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000420372228 942643387 /nfs/dbraw/zinc/64/33/87/942643387.db2.gz QBPLZRVIHOLKLZ-CYBMUJFWSA-N 2 2 364.704 3.563 20 0 FHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420386533 942649479 /nfs/dbraw/zinc/64/94/79/942649479.db2.gz GALJYUGTUAVHLG-VQIMIIECSA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000420386533 942649485 /nfs/dbraw/zinc/64/94/85/942649485.db2.gz GALJYUGTUAVHLG-VQIMIIECSA-N 2 2 357.523 3.783 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000514081938 942732915 /nfs/dbraw/zinc/73/29/15/942732915.db2.gz DWJAOAASRLGBDG-OAHLLOKOSA-N 2 2 358.507 3.634 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000514081938 942732919 /nfs/dbraw/zinc/73/29/19/942732919.db2.gz DWJAOAASRLGBDG-OAHLLOKOSA-N 2 2 358.507 3.634 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644197 942823683 /nfs/dbraw/zinc/82/36/83/942823683.db2.gz FAXKCRPDXRZNSP-APWZRJJASA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644197 942823689 /nfs/dbraw/zinc/82/36/89/942823689.db2.gz FAXKCRPDXRZNSP-APWZRJJASA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644197 942823693 /nfs/dbraw/zinc/82/36/93/942823693.db2.gz FAXKCRPDXRZNSP-APWZRJJASA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644197 942823696 /nfs/dbraw/zinc/82/36/96/942823696.db2.gz FAXKCRPDXRZNSP-APWZRJJASA-N 2 2 365.587 3.658 20 0 FHADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCC1 ZINC000421828181 942835567 /nfs/dbraw/zinc/83/55/67/942835567.db2.gz BKGUXMIBIPAOQI-RBUKOAKNSA-N 2 2 360.542 3.824 20 0 FHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421829546 942837090 /nfs/dbraw/zinc/83/70/90/942837090.db2.gz IJZGCVQFUCZFNK-HUUCEWRRSA-N 2 2 352.906 3.500 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)s1 ZINC000414555413 942852853 /nfs/dbraw/zinc/85/28/53/942852853.db2.gz IDQARENXYNHPLZ-HNNXBMFYSA-N 2 2 367.559 3.539 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)s1 ZINC000414555413 942852859 /nfs/dbraw/zinc/85/28/59/942852859.db2.gz IDQARENXYNHPLZ-HNNXBMFYSA-N 2 2 367.559 3.539 20 0 FHADLP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434730597 942899771 /nfs/dbraw/zinc/89/97/71/942899771.db2.gz RWGSRTASPHIORW-RXVVDRJESA-N 2 2 357.473 3.614 20 0 FHADLP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434730597 942899775 /nfs/dbraw/zinc/89/97/75/942899775.db2.gz RWGSRTASPHIORW-RXVVDRJESA-N 2 2 357.473 3.614 20 0 FHADLP C[NH+](CCCOc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434730597 942899779 /nfs/dbraw/zinc/89/97/79/942899779.db2.gz RWGSRTASPHIORW-RXVVDRJESA-N 2 2 357.473 3.614 20 0 FHADLP C[NH+](CCCOc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434730597 942899780 /nfs/dbraw/zinc/89/97/80/942899780.db2.gz RWGSRTASPHIORW-RXVVDRJESA-N 2 2 357.473 3.614 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3csc4ccccc34)CC2)CC1 ZINC000422003223 942934030 /nfs/dbraw/zinc/93/40/30/942934030.db2.gz CQTUOGITAFCYNN-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3csc4ccccc34)CC2)CC1 ZINC000422003223 942934035 /nfs/dbraw/zinc/93/40/35/942934035.db2.gz CQTUOGITAFCYNN-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000434750619 942952148 /nfs/dbraw/zinc/95/21/48/942952148.db2.gz XRDOYZUBMSNKSD-AZUAARDMSA-N 2 2 360.571 3.819 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000434750619 942952155 /nfs/dbraw/zinc/95/21/55/942952155.db2.gz XRDOYZUBMSNKSD-AZUAARDMSA-N 2 2 360.571 3.819 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000434750619 942952159 /nfs/dbraw/zinc/95/21/59/942952159.db2.gz XRDOYZUBMSNKSD-AZUAARDMSA-N 2 2 360.571 3.819 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCc2ccsc2)[C@@H]1c1cnn(C)c1 ZINC000434750619 942952163 /nfs/dbraw/zinc/95/21/63/942952163.db2.gz XRDOYZUBMSNKSD-AZUAARDMSA-N 2 2 360.571 3.819 20 0 FHADLP Cc1cccc2oc(CC[NH2+]Cc3nc4c(s3)C[N@H+](C(C)C)CC4)nc21 ZINC000378640149 942989403 /nfs/dbraw/zinc/98/94/03/942989403.db2.gz HOVOIEHXJMJJEA-UHFFFAOYSA-N 2 2 370.522 3.692 20 0 FHADLP Cc1cccc2oc(CC[NH2+]Cc3nc4c(s3)C[N@@H+](C(C)C)CC4)nc21 ZINC000378640149 942989407 /nfs/dbraw/zinc/98/94/07/942989407.db2.gz HOVOIEHXJMJJEA-UHFFFAOYSA-N 2 2 370.522 3.692 20 0 FHADLP C[C@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312263030 943011433 /nfs/dbraw/zinc/01/14/33/943011433.db2.gz DBGRDSXHFJGDDE-INIZCTEOSA-N 2 2 370.497 3.922 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000236835218 943051106 /nfs/dbraw/zinc/05/11/06/943051106.db2.gz APKUEIAWDQYECH-LJQANCHMSA-N 2 2 354.494 3.945 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000236835218 943051115 /nfs/dbraw/zinc/05/11/15/943051115.db2.gz APKUEIAWDQYECH-LJQANCHMSA-N 2 2 354.494 3.945 20 0 FHADLP C[N@H+]1CC=C(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000271833996 943057683 /nfs/dbraw/zinc/05/76/83/943057683.db2.gz FMFCXEBHUNGJMA-UHFFFAOYSA-N 2 2 363.914 3.727 20 0 FHADLP C[N@@H+]1CC=C(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000271833996 943057691 /nfs/dbraw/zinc/05/76/91/943057691.db2.gz FMFCXEBHUNGJMA-UHFFFAOYSA-N 2 2 363.914 3.727 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000545912602 943125913 /nfs/dbraw/zinc/12/59/13/943125913.db2.gz CSLUFWFUXXVEHE-QGZVFWFLSA-N 2 2 362.514 3.542 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000503381229 943157311 /nfs/dbraw/zinc/15/73/11/943157311.db2.gz XRHCGXAIOYDETH-KRWDZBQOSA-N 2 2 355.457 3.811 20 0 FHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000503381229 943157315 /nfs/dbraw/zinc/15/73/15/943157315.db2.gz XRHCGXAIOYDETH-KRWDZBQOSA-N 2 2 355.457 3.811 20 0 FHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000514694458 943226671 /nfs/dbraw/zinc/22/66/71/943226671.db2.gz FHPWFYAGMGZUKX-UHFFFAOYSA-N 2 2 350.450 3.746 20 0 FHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422731828 943250079 /nfs/dbraw/zinc/25/00/79/943250079.db2.gz MMPQMUMZZIZPDE-PBHICJAKSA-N 2 2 352.400 3.676 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422748861 943270579 /nfs/dbraw/zinc/27/05/79/943270579.db2.gz WNTGUGRJUZRHPA-FUHWJXTLSA-N 3 2 352.526 3.725 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2ccc3ccccc3n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422782864 943281758 /nfs/dbraw/zinc/28/17/58/943281758.db2.gz NNBFHZCUMDCSMF-XZOQPEGZSA-N 2 2 361.489 3.869 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422784424 943282690 /nfs/dbraw/zinc/28/26/90/943282690.db2.gz POOJTLUKBVXCKB-FUHIMQAGSA-N 2 2 354.494 3.780 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422796802 943287155 /nfs/dbraw/zinc/28/71/55/943287155.db2.gz ZBKNBXRPSLUPRT-YRVVQQKDSA-N 2 2 360.885 3.916 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422836967 943300473 /nfs/dbraw/zinc/30/04/73/943300473.db2.gz SIDNNZMQUQKMNR-TZYHBYERSA-N 2 2 365.521 3.604 20 0 FHADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422853877 943306269 /nfs/dbraw/zinc/30/62/69/943306269.db2.gz SYQSJTTUWADZFU-XUVXKRRUSA-N 2 2 355.551 3.939 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889985 943319546 /nfs/dbraw/zinc/31/95/46/943319546.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 3 2 352.526 3.823 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889985 943319551 /nfs/dbraw/zinc/31/95/51/943319551.db2.gz HECBQSXPRGKIAD-FGTMMUONSA-N 3 2 352.526 3.823 20 0 FHADLP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)s1 ZINC000364008972 943322253 /nfs/dbraw/zinc/32/22/53/943322253.db2.gz JUMYMBYOSHNHSV-MRXNPFEDSA-N 2 2 367.522 3.740 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000422929799 943335247 /nfs/dbraw/zinc/33/52/47/943335247.db2.gz ACHHTMUIAHYNTR-XWIAVFTESA-N 2 2 367.331 3.647 20 0 FHADLP c1ccc(-n2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c3c2CCC3)cc1 ZINC000422948296 943345414 /nfs/dbraw/zinc/34/54/14/943345414.db2.gz RBBXLWDRMMAQOI-SESVDKBCSA-N 2 2 364.537 3.761 20 0 FHADLP c1ccc(-n2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c3c2CCC3)cc1 ZINC000422948294 943345805 /nfs/dbraw/zinc/34/58/05/943345805.db2.gz RBBXLWDRMMAQOI-HLAWJBBLSA-N 2 2 364.537 3.761 20 0 FHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000514872246 943351863 /nfs/dbraw/zinc/35/18/63/943351863.db2.gz XBYYGECNHHMFTB-UHFFFAOYSA-N 2 2 354.498 3.725 20 0 FHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000514872246 943351865 /nfs/dbraw/zinc/35/18/65/943351865.db2.gz XBYYGECNHHMFTB-UHFFFAOYSA-N 2 2 354.498 3.725 20 0 FHADLP C[C@@H](NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423032406 943372215 /nfs/dbraw/zinc/37/22/15/943372215.db2.gz MMHDHADIWZYJLI-FZKQIMNGSA-N 2 2 356.341 3.688 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391135 943378121 /nfs/dbraw/zinc/37/81/21/943378121.db2.gz RNOVUMKPFCCCDP-WFNSPDMASA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391135 943378123 /nfs/dbraw/zinc/37/81/23/943378123.db2.gz RNOVUMKPFCCCDP-WFNSPDMASA-N 2 2 351.494 3.748 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069247 943380497 /nfs/dbraw/zinc/38/04/97/943380497.db2.gz AUJMPGMNLFFIMA-LVCYWYKZSA-N 2 2 354.494 3.683 20 0 FHADLP CCc1ccc(C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431232 943395430 /nfs/dbraw/zinc/39/54/30/943395430.db2.gz CHBCDJVUFVCCIE-FQEVSTJZSA-N 2 2 352.526 3.610 20 0 FHADLP CCc1ccc(C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431232 943395433 /nfs/dbraw/zinc/39/54/33/943395433.db2.gz CHBCDJVUFVCCIE-FQEVSTJZSA-N 2 2 352.526 3.610 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432676 943396115 /nfs/dbraw/zinc/39/61/15/943396115.db2.gz OEVMEJLLOCKFSP-KRWDZBQOSA-N 2 2 372.582 3.923 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432676 943396117 /nfs/dbraw/zinc/39/61/17/943396117.db2.gz OEVMEJLLOCKFSP-KRWDZBQOSA-N 2 2 372.582 3.923 20 0 FHADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423105329 943401123 /nfs/dbraw/zinc/40/11/23/943401123.db2.gz IDOBWVPVQNHTQN-XFBWCDHKSA-N 2 2 359.258 3.738 20 0 FHADLP Clc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423106248 943402025 /nfs/dbraw/zinc/40/20/25/943402025.db2.gz RFIWZVJOHOLSDY-DFEHZGFQSA-N 2 2 355.309 3.596 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427678 943406419 /nfs/dbraw/zinc/40/64/19/943406419.db2.gz NUTHIQIANISAAP-FHHGHWCOSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435427678 943406425 /nfs/dbraw/zinc/40/64/25/943406425.db2.gz NUTHIQIANISAAP-FHHGHWCOSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccc([C@H]([NH2+]CC(C)(C)c2ncccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423139481 943416436 /nfs/dbraw/zinc/41/64/36/943416436.db2.gz KVTRIOCRMSHTNZ-UXHICEINSA-N 2 2 353.510 3.759 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(C)c2ncccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000435445761 943421012 /nfs/dbraw/zinc/42/10/12/943421012.db2.gz HGUZHGHXWBBVOI-QGZVFWFLSA-N 2 2 366.534 3.920 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(C)c2ncccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000435445761 943421016 /nfs/dbraw/zinc/42/10/16/943421016.db2.gz HGUZHGHXWBBVOI-QGZVFWFLSA-N 2 2 366.534 3.920 20 0 FHADLP COc1cc(Cl)c(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000414868999 943422225 /nfs/dbraw/zinc/42/22/25/943422225.db2.gz AWKJCJYWSUFIOV-UHFFFAOYSA-N 2 2 354.281 3.667 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423234279 943454123 /nfs/dbraw/zinc/45/41/23/943454123.db2.gz FLPJYQIEZOZLNF-MBSDFSHPSA-N 2 2 367.537 3.997 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCCc3nc(C)sc32)cc1 ZINC000423330071 943482220 /nfs/dbraw/zinc/48/22/20/943482220.db2.gz LVFVIDPURWURLL-YTQUADARSA-N 2 2 357.523 3.573 20 0 FHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374465 943486134 /nfs/dbraw/zinc/48/61/34/943486134.db2.gz SXVVCCFERHHJHV-UWVGGRQHSA-N 2 2 354.317 3.879 20 0 FHADLP c1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486456 /nfs/dbraw/zinc/48/64/56/943486456.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 3 2 353.554 3.646 20 0 FHADLP c1ccc(C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167959449 943486463 /nfs/dbraw/zinc/48/64/63/943486463.db2.gz PTRNVXYWMULBNZ-NOTZXAQLSA-N 3 2 353.554 3.646 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2sc(-c3ccccc3F)nc2C)CCC[NH2+]1 ZINC000423422382 943505656 /nfs/dbraw/zinc/50/56/56/943505656.db2.gz KNGRKLAOSKWTHC-DJJJIMSYSA-N 2 2 363.502 3.677 20 0 FHADLP FC(F)Oc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccc(Cl)cc2)cc1 ZINC000423444012 943512526 /nfs/dbraw/zinc/51/25/26/943512526.db2.gz WDEREVYMHSWGIJ-XDNAFOTISA-N 2 2 364.823 3.838 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423505558 943531586 /nfs/dbraw/zinc/53/15/86/943531586.db2.gz OLWYAPAPIKKEIL-LIRRHRJNSA-N 2 2 351.494 3.829 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518044 943543926 /nfs/dbraw/zinc/54/39/26/943543926.db2.gz ZCSNVHZIENLEFL-KDOFPFPSSA-N 2 2 358.482 3.625 20 0 FHADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423565679 943557893 /nfs/dbraw/zinc/55/78/93/943557893.db2.gz SVKQTUDCPWVSOQ-RYQLBKOJSA-N 2 2 350.478 3.566 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000435777149 943763797 /nfs/dbraw/zinc/76/37/97/943763797.db2.gz CGNXODIEEVMUAD-UHFFFAOYSA-N 2 2 350.510 3.956 20 0 FHADLP CCn1cncc1C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000417775113 943873778 /nfs/dbraw/zinc/87/37/78/943873778.db2.gz MIKOAGRALFWLLM-UHFFFAOYSA-N 2 2 370.545 3.616 20 0 FHADLP CCn1cncc1C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000417775113 943873786 /nfs/dbraw/zinc/87/37/86/943873786.db2.gz MIKOAGRALFWLLM-UHFFFAOYSA-N 2 2 370.545 3.616 20 0 FHADLP CCc1cccc(OCC[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000436057914 943979117 /nfs/dbraw/zinc/97/91/17/943979117.db2.gz WXZMVVHAAFPQIX-SFHVURJKSA-N 2 2 359.539 3.504 20 0 FHADLP CCc1cccc(OCC[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000436057914 943979118 /nfs/dbraw/zinc/97/91/18/943979118.db2.gz WXZMVVHAAFPQIX-SFHVURJKSA-N 2 2 359.539 3.504 20 0 FHADLP COC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000436102377 944016165 /nfs/dbraw/zinc/01/61/65/944016165.db2.gz NOHCMXPXHIIERQ-FQEVSTJZSA-N 2 2 362.489 3.628 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccc(-c5ccccn5)nc4)C[C@@H]3C2)cc1 ZINC000425480857 944061644 /nfs/dbraw/zinc/06/16/44/944061644.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccc(-c5ccccn5)nc4)C[C@@H]3C2)cc1 ZINC000425480857 944061661 /nfs/dbraw/zinc/06/16/61/944061661.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccc(-c5ccccn5)nc4)C[C@@H]3C2)cc1 ZINC000425480857 944061671 /nfs/dbraw/zinc/06/16/71/944061671.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccc(-c5ccccn5)nc4)C[C@@H]3C2)cc1 ZINC000425480857 944061685 /nfs/dbraw/zinc/06/16/85/944061685.db2.gz PLAYSTYMSUHMIM-SZPZYZBQSA-N 2 2 370.500 3.707 20 0 FHADLP Cc1cc2ncc([C@@H](C)[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000120148521 944095861 /nfs/dbraw/zinc/09/58/61/944095861.db2.gz LZZFKIKLGIQERZ-QGZVFWFLSA-N 2 2 363.509 3.661 20 0 FHADLP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3cc(F)c(Cl)cc32)CCO1 ZINC000664659459 944131369 /nfs/dbraw/zinc/13/13/69/944131369.db2.gz YILIOAZMIHYALN-ZDUSSCGKSA-N 2 2 351.853 3.574 20 0 FHADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143687 /nfs/dbraw/zinc/14/36/87/944143687.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 2 358.526 3.806 20 0 FHADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143688 /nfs/dbraw/zinc/14/36/88/944143688.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 2 358.526 3.806 20 0 FHADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143692 /nfs/dbraw/zinc/14/36/92/944143692.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 2 358.526 3.806 20 0 FHADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129029 944143694 /nfs/dbraw/zinc/14/36/94/944143694.db2.gz KBCCFDPREOQUMP-LJQANCHMSA-N 2 2 358.526 3.806 20 0 FHADLP Fc1ccc(Cn2cc(C[NH2+]Cc3cccc(-n4cc[nH+]c4)c3)cn2)cc1 ZINC000436250981 944144299 /nfs/dbraw/zinc/14/42/99/944144299.db2.gz ZWOSSFGCBOESJI-UHFFFAOYSA-N 2 2 361.424 3.546 20 0 FHADLP c1ccc([C@@H]2CC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000436273554 944170868 /nfs/dbraw/zinc/17/08/68/944170868.db2.gz VVVOECDYZIPWNG-PKTZIBPZSA-N 2 2 350.506 3.945 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934070 944216808 /nfs/dbraw/zinc/21/68/08/944216808.db2.gz YZLPZEXXTWOTMA-IERDGZPVSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934070 944216811 /nfs/dbraw/zinc/21/68/11/944216811.db2.gz YZLPZEXXTWOTMA-IERDGZPVSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425934070 944216815 /nfs/dbraw/zinc/21/68/15/944216815.db2.gz YZLPZEXXTWOTMA-IERDGZPVSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425934070 944216820 /nfs/dbraw/zinc/21/68/20/944216820.db2.gz YZLPZEXXTWOTMA-IERDGZPVSA-N 2 2 360.448 3.595 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000469305744 944229722 /nfs/dbraw/zinc/22/97/22/944229722.db2.gz YYNQTOREPXRYJY-UHFFFAOYSA-N 2 2 368.525 3.520 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000469305744 944229731 /nfs/dbraw/zinc/22/97/31/944229731.db2.gz YYNQTOREPXRYJY-UHFFFAOYSA-N 2 2 368.525 3.520 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475099 944287911 /nfs/dbraw/zinc/28/79/11/944287911.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506475099 944287917 /nfs/dbraw/zinc/28/79/17/944287917.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475099 944287924 /nfs/dbraw/zinc/28/79/24/944287924.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506475099 944287932 /nfs/dbraw/zinc/28/79/32/944287932.db2.gz SFNWXMYQYQWEOZ-IVAOSVALSA-N 2 2 363.590 3.752 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008104 944337144 /nfs/dbraw/zinc/33/71/44/944337144.db2.gz BNWUVZQBTPWRKU-KXBFYZLASA-N 2 2 374.326 3.865 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008104 944337151 /nfs/dbraw/zinc/33/71/51/944337151.db2.gz BNWUVZQBTPWRKU-KXBFYZLASA-N 2 2 374.326 3.865 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000438102374 944341833 /nfs/dbraw/zinc/34/18/33/944341833.db2.gz VSUOLRYLTDCHGK-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000438102374 944341840 /nfs/dbraw/zinc/34/18/40/944341840.db2.gz VSUOLRYLTDCHGK-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000438102374 944341847 /nfs/dbraw/zinc/34/18/47/944341847.db2.gz VSUOLRYLTDCHGK-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000438102374 944341851 /nfs/dbraw/zinc/34/18/51/944341851.db2.gz VSUOLRYLTDCHGK-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CO2 ZINC000517537433 944382583 /nfs/dbraw/zinc/38/25/83/944382583.db2.gz WVRVOBAWKCPSDT-SJORKVTESA-N 2 2 353.293 3.986 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CO2 ZINC000517537433 944382592 /nfs/dbraw/zinc/38/25/92/944382592.db2.gz WVRVOBAWKCPSDT-SJORKVTESA-N 2 2 353.293 3.986 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccsc1 ZINC000517644020 944476048 /nfs/dbraw/zinc/47/60/48/944476048.db2.gz CEVYMXZCWXXPIP-QGZVFWFLSA-N 2 2 371.510 3.909 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981952 944492356 /nfs/dbraw/zinc/49/23/56/944492356.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981952 944492362 /nfs/dbraw/zinc/49/23/62/944492362.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981952 944492368 /nfs/dbraw/zinc/49/23/68/944492368.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981952 944492373 /nfs/dbraw/zinc/49/23/73/944492373.db2.gz QNORFYOGJVHWIB-NRCDOKTLSA-N 3 2 367.581 3.892 20 0 FHADLP Fc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390675067 944677671 /nfs/dbraw/zinc/67/76/71/944677671.db2.gz TYBMASLFICSEQH-HXUWFJFHSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390675067 944677675 /nfs/dbraw/zinc/67/76/75/944677675.db2.gz TYBMASLFICSEQH-HXUWFJFHSA-N 2 2 362.876 3.860 20 0 FHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390681489 944709806 /nfs/dbraw/zinc/70/98/06/944709806.db2.gz VZAWMRGIEJBLTD-NFBKMPQASA-N 2 2 352.522 3.888 20 0 FHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390681489 944709809 /nfs/dbraw/zinc/70/98/09/944709809.db2.gz VZAWMRGIEJBLTD-NFBKMPQASA-N 2 2 352.522 3.888 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414892634 944736604 /nfs/dbraw/zinc/73/66/04/944736604.db2.gz XCLXIAHCJLLFHW-MOPGFXCFSA-N 2 2 362.420 3.532 20 0 FHADLP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425671249 944896478 /nfs/dbraw/zinc/89/64/78/944896478.db2.gz HJDFDHXBZDFXTN-MRXNPFEDSA-N 2 2 369.513 3.738 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)Cc1ccccc1 ZINC000518917627 944937140 /nfs/dbraw/zinc/93/71/40/944937140.db2.gz ZMIMXYDVZMGJCT-FSSWDIPSSA-N 2 2 368.569 3.989 20 0 FHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497385 945043048 /nfs/dbraw/zinc/04/30/48/945043048.db2.gz MLGZABJFJOKGLK-KRWDZBQOSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497385 945043058 /nfs/dbraw/zinc/04/30/58/945043058.db2.gz MLGZABJFJOKGLK-KRWDZBQOSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497385 945043066 /nfs/dbraw/zinc/04/30/66/945043066.db2.gz MLGZABJFJOKGLK-KRWDZBQOSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497385 945043075 /nfs/dbraw/zinc/04/30/75/945043075.db2.gz MLGZABJFJOKGLK-KRWDZBQOSA-N 2 2 360.571 3.962 20 0 FHADLP c1ccc(C[NH2+]C2CC[NH+](CCc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000660679649 945380033 /nfs/dbraw/zinc/38/00/33/945380033.db2.gz RBWRRCHWUZHNLT-UHFFFAOYSA-N 2 2 362.477 3.533 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000660694273 945397934 /nfs/dbraw/zinc/39/79/34/945397934.db2.gz YZLFMPQCGYZRJU-HNNXBMFYSA-N 2 2 374.447 3.719 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415041049 945511410 /nfs/dbraw/zinc/51/14/10/945511410.db2.gz KTFVEQHUROGASG-WBVHZDCISA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415041049 945511419 /nfs/dbraw/zinc/51/14/19/945511419.db2.gz KTFVEQHUROGASG-WBVHZDCISA-N 2 2 352.906 3.711 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246837639 945571251 /nfs/dbraw/zinc/57/12/51/945571251.db2.gz ATVNBQKSZVSZMH-VSDWSMLSSA-N 2 2 365.521 3.968 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246837639 945571255 /nfs/dbraw/zinc/57/12/55/945571255.db2.gz ATVNBQKSZVSZMH-VSDWSMLSSA-N 2 2 365.521 3.968 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000444002979 945709479 /nfs/dbraw/zinc/70/94/79/945709479.db2.gz QMVNNQPCNVCCOK-TZIWHRDSSA-N 2 2 358.913 3.621 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000444002979 945709486 /nfs/dbraw/zinc/70/94/86/945709486.db2.gz QMVNNQPCNVCCOK-TZIWHRDSSA-N 2 2 358.913 3.621 20 0 FHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000444002977 945709635 /nfs/dbraw/zinc/70/96/35/945709635.db2.gz QMVNNQPCNVCCOK-FPOVZHCZSA-N 2 2 358.913 3.621 20 0 FHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000444002977 945709639 /nfs/dbraw/zinc/70/96/39/945709639.db2.gz QMVNNQPCNVCCOK-FPOVZHCZSA-N 2 2 358.913 3.621 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651734027 945802209 /nfs/dbraw/zinc/80/22/09/945802209.db2.gz ZMWJNBMFKNJPNG-IMRHEYAYSA-N 2 2 365.521 3.777 20 0 FHADLP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)Nc1ccc2ccccc2c1 ZINC001167974399 945960673 /nfs/dbraw/zinc/96/06/73/945960673.db2.gz ZGPUHHZMWMYMAU-FRIKZZABSA-N 2 2 363.505 3.773 20 0 FHADLP O=C(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)Nc1ccc2ccccc2c1 ZINC001167974399 945960680 /nfs/dbraw/zinc/96/06/80/945960680.db2.gz ZGPUHHZMWMYMAU-FRIKZZABSA-N 2 2 363.505 3.773 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000187878078 945961731 /nfs/dbraw/zinc/96/17/31/945961731.db2.gz BRNZZLZISLSAJE-OAQYLSRUSA-N 2 2 372.484 3.778 20 0 FHADLP CCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301857538 946006600 /nfs/dbraw/zinc/00/66/00/946006600.db2.gz RWFBFFGBGHXBFR-YOFSQIOKSA-N 3 2 364.537 3.544 20 0 FHADLP CCc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301857538 946006608 /nfs/dbraw/zinc/00/66/08/946006608.db2.gz RWFBFFGBGHXBFR-YOFSQIOKSA-N 3 2 364.537 3.544 20 0 FHADLP Nc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]c2ccccc12 ZINC000301883980 946019089 /nfs/dbraw/zinc/01/90/89/946019089.db2.gz NSFACWSKLHRBBS-CQSZACIVSA-N 2 2 353.495 3.598 20 0 FHADLP Nc1nc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]c2ccccc12 ZINC000301883980 946019094 /nfs/dbraw/zinc/01/90/94/946019094.db2.gz NSFACWSKLHRBBS-CQSZACIVSA-N 2 2 353.495 3.598 20 0 FHADLP Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904512 946031192 /nfs/dbraw/zinc/03/11/92/946031192.db2.gz PQVGGXPOKBVESN-GHTZIAJQSA-N 2 2 373.504 3.703 20 0 FHADLP Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904512 946031209 /nfs/dbraw/zinc/03/12/09/946031209.db2.gz PQVGGXPOKBVESN-GHTZIAJQSA-N 2 2 373.504 3.703 20 0 FHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214408 946081069 /nfs/dbraw/zinc/08/10/69/946081069.db2.gz PJIUJOZRRSDGJU-UNMCSNQZSA-N 2 2 369.553 3.548 20 0 FHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214408 946081082 /nfs/dbraw/zinc/08/10/82/946081082.db2.gz PJIUJOZRRSDGJU-UNMCSNQZSA-N 2 2 369.553 3.548 20 0 FHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1)c1ccccc1 ZINC000661454525 946132256 /nfs/dbraw/zinc/13/22/56/946132256.db2.gz JGYUYKKUWXZBEB-SVMVAKDDSA-N 2 2 368.521 3.932 20 0 FHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1)c1ccccc1 ZINC000661454525 946132259 /nfs/dbraw/zinc/13/22/59/946132259.db2.gz JGYUYKKUWXZBEB-SVMVAKDDSA-N 2 2 368.521 3.932 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383607 946177112 /nfs/dbraw/zinc/17/71/12/946177112.db2.gz BGPWTGLHLBFOSR-KBXCAEBGSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383607 946177115 /nfs/dbraw/zinc/17/71/15/946177115.db2.gz BGPWTGLHLBFOSR-KBXCAEBGSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1sccc1Br ZINC000579190962 946239602 /nfs/dbraw/zinc/23/96/02/946239602.db2.gz VXMDVZDSXMVVKL-QWHCGFSZSA-N 2 2 361.349 3.662 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1sccc1Br ZINC000579190962 946239608 /nfs/dbraw/zinc/23/96/08/946239608.db2.gz VXMDVZDSXMVVKL-QWHCGFSZSA-N 2 2 361.349 3.662 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262572 946333181 /nfs/dbraw/zinc/33/31/81/946333181.db2.gz LXANLKPTIAQKKH-UTKZUKDTSA-N 2 2 364.493 3.505 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262572 946333191 /nfs/dbraw/zinc/33/31/91/946333191.db2.gz LXANLKPTIAQKKH-UTKZUKDTSA-N 2 2 364.493 3.505 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247333 946342307 /nfs/dbraw/zinc/34/23/07/946342307.db2.gz RGKSMIKWJJEXFQ-UWWQBHOKSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247333 946342321 /nfs/dbraw/zinc/34/23/21/946342321.db2.gz RGKSMIKWJJEXFQ-UWWQBHOKSA-N 2 2 373.324 3.556 20 0 FHADLP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475160489 946527880 /nfs/dbraw/zinc/52/78/80/946527880.db2.gz XONSOQYFUPHYSH-GOSISDBHSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475160489 946527887 /nfs/dbraw/zinc/52/78/87/946527887.db2.gz XONSOQYFUPHYSH-GOSISDBHSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@@H](Cc1ccccc1)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000475160489 946527895 /nfs/dbraw/zinc/52/78/95/946527895.db2.gz XONSOQYFUPHYSH-GOSISDBHSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@@H](Cc1ccccc1)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000475160489 946527907 /nfs/dbraw/zinc/52/79/07/946527907.db2.gz XONSOQYFUPHYSH-GOSISDBHSA-N 2 2 373.566 3.599 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cn1 ZINC000475511818 946532755 /nfs/dbraw/zinc/53/27/55/946532755.db2.gz WJBYERSOBFQBFT-ZDUSSCGKSA-N 2 2 357.255 3.881 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000441380471 946537622 /nfs/dbraw/zinc/53/76/22/946537622.db2.gz GCAYOJSEVZALGX-RXVVDRJESA-N 2 2 368.525 3.668 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000067500946 946775001 /nfs/dbraw/zinc/77/50/01/946775001.db2.gz DDPTYJRODLGJDD-GOSISDBHSA-N 2 2 365.477 3.897 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCO1 ZINC001168080397 946911812 /nfs/dbraw/zinc/91/18/12/946911812.db2.gz UYQPKJJBDHXJDI-GCJKJVERSA-N 2 2 350.506 3.865 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123885002 946915650 /nfs/dbraw/zinc/91/56/50/946915650.db2.gz SGHHZMAEBMYJML-FXAWDEMLSA-N 2 2 366.509 3.704 20 0 FHADLP Clc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167995635 946977454 /nfs/dbraw/zinc/97/74/54/946977454.db2.gz MBCNWTRNRHCCET-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167995635 946977461 /nfs/dbraw/zinc/97/74/61/946977461.db2.gz MBCNWTRNRHCCET-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167995635 946977473 /nfs/dbraw/zinc/97/74/73/946977473.db2.gz MBCNWTRNRHCCET-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)c1 ZINC001167995635 946977486 /nfs/dbraw/zinc/97/74/86/946977486.db2.gz MBCNWTRNRHCCET-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692744 947222976 /nfs/dbraw/zinc/22/29/76/947222976.db2.gz VYRZDZDQJLTVNL-DHIUTWEWSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692744 947222987 /nfs/dbraw/zinc/22/29/87/947222987.db2.gz VYRZDZDQJLTVNL-DHIUTWEWSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692744 947222996 /nfs/dbraw/zinc/22/29/96/947222996.db2.gz VYRZDZDQJLTVNL-DHIUTWEWSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+](C[C@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692744 947223005 /nfs/dbraw/zinc/22/30/05/947223005.db2.gz VYRZDZDQJLTVNL-DHIUTWEWSA-N 2 2 372.553 3.701 20 0 FHADLP C[C@H]([C@H](C)Nc1cc[nH+]c2c(Br)cccc12)[NH+]1CCOCC1 ZINC000301188500 947224014 /nfs/dbraw/zinc/22/40/14/947224014.db2.gz KRXUCCROHPEXJE-QWHCGFSZSA-N 2 2 364.287 3.518 20 0 FHADLP COc1ccccc1-n1c[nH+]c2cc(NCc3ccc(N)[nH+]c3C)ccc21 ZINC001167787640 947305932 /nfs/dbraw/zinc/30/59/32/947305932.db2.gz FXTOBNJOFVKBMX-UHFFFAOYSA-N 2 2 359.433 3.932 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778704 947600427 /nfs/dbraw/zinc/60/04/27/947600427.db2.gz BVAKXQRLNWMHRK-RBBKRZOGSA-N 2 2 369.553 3.626 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778704 947600420 /nfs/dbraw/zinc/60/04/20/947600420.db2.gz BVAKXQRLNWMHRK-RBBKRZOGSA-N 2 2 369.553 3.626 20 0 FHADLP C[C@@H](Cc1ccccc1)[N@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662320613 947749700 /nfs/dbraw/zinc/74/97/00/947749700.db2.gz VIVFFLTUGDBEGC-KRWDZBQOSA-N 2 2 364.493 3.897 20 0 FHADLP C[C@@H](Cc1ccccc1)[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662320613 947749709 /nfs/dbraw/zinc/74/97/09/947749709.db2.gz VIVFFLTUGDBEGC-KRWDZBQOSA-N 2 2 364.493 3.897 20 0 FHADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000473984916 947766157 /nfs/dbraw/zinc/76/61/57/947766157.db2.gz BTPGEGIYCDCVME-OAHLLOKOSA-N 2 2 365.308 3.823 20 0 FHADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346517 947815883 /nfs/dbraw/zinc/81/58/83/947815883.db2.gz SUYHSNVMEXTIJT-OAHLLOKOSA-N 2 2 367.331 3.669 20 0 FHADLP COc1ccc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346517 947815886 /nfs/dbraw/zinc/81/58/86/947815886.db2.gz SUYHSNVMEXTIJT-OAHLLOKOSA-N 2 2 367.331 3.669 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000441484658 947946725 /nfs/dbraw/zinc/94/67/25/947946725.db2.gz ZCDCEFFOGVHSRA-PZJWPPBQSA-N 2 2 368.525 3.622 20 0 FHADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466238 948049882 /nfs/dbraw/zinc/04/98/82/948049882.db2.gz PWLJWZWBBNWHQE-CRAIPNDOSA-N 2 2 354.897 3.878 20 0 FHADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466238 948049890 /nfs/dbraw/zinc/04/98/90/948049890.db2.gz PWLJWZWBBNWHQE-CRAIPNDOSA-N 2 2 354.897 3.878 20 0 FHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663498651 948115194 /nfs/dbraw/zinc/11/51/94/948115194.db2.gz SALYEJJGJOONTG-UHFFFAOYSA-N 2 2 362.452 3.520 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000432347156 948188543 /nfs/dbraw/zinc/18/85/43/948188543.db2.gz OINZONXVJCJPEV-INIZCTEOSA-N 2 2 360.473 3.985 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000432347156 948188545 /nfs/dbraw/zinc/18/85/45/948188545.db2.gz OINZONXVJCJPEV-INIZCTEOSA-N 2 2 360.473 3.985 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000237177777 948207262 /nfs/dbraw/zinc/20/72/62/948207262.db2.gz SFHHLDJWSWPXRS-KRWDZBQOSA-N 2 2 360.933 3.882 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000237177777 948207269 /nfs/dbraw/zinc/20/72/69/948207269.db2.gz SFHHLDJWSWPXRS-KRWDZBQOSA-N 2 2 360.933 3.882 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)s1 ZINC000512046166 948300052 /nfs/dbraw/zinc/30/00/52/948300052.db2.gz QYCAHHLCIGEHRX-UHFFFAOYSA-N 2 2 373.444 3.573 20 0 FHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)oc21 ZINC000432415229 948363359 /nfs/dbraw/zinc/36/33/59/948363359.db2.gz VLCTYAYOJLFOQD-IRXDYDNUSA-N 2 2 360.498 3.983 20 0 FHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)oc21 ZINC000432415229 948363365 /nfs/dbraw/zinc/36/33/65/948363365.db2.gz VLCTYAYOJLFOQD-IRXDYDNUSA-N 2 2 360.498 3.983 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1F ZINC000432415111 948364143 /nfs/dbraw/zinc/36/41/43/948364143.db2.gz MTLGEMGDAQLRAK-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1F ZINC000432415111 948364147 /nfs/dbraw/zinc/36/41/47/948364147.db2.gz MTLGEMGDAQLRAK-ZIAGYGMSSA-N 2 2 373.310 3.740 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432418861 948373928 /nfs/dbraw/zinc/37/39/28/948373928.db2.gz WPANMXWHORNAMM-GJZGRUSLSA-N 2 2 370.921 3.509 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432418861 948373936 /nfs/dbraw/zinc/37/39/36/948373936.db2.gz WPANMXWHORNAMM-GJZGRUSLSA-N 2 2 370.921 3.509 20 0 FHADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000037976771 948456976 /nfs/dbraw/zinc/45/69/76/948456976.db2.gz LKROTPPTNPQUGQ-UHFFFAOYSA-N 2 2 363.246 3.624 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110312 948494370 /nfs/dbraw/zinc/49/43/70/948494370.db2.gz ZVPBWGVUNLBPNU-RDJZCZTQSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110312 948494375 /nfs/dbraw/zinc/49/43/75/948494375.db2.gz ZVPBWGVUNLBPNU-RDJZCZTQSA-N 2 2 370.324 3.929 20 0 FHADLP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512128461 948501454 /nfs/dbraw/zinc/50/14/54/948501454.db2.gz GNRRDIYFIKWSAJ-LBPRGKRZSA-N 2 2 373.444 3.781 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc([C@H]3CCCO3)s2)c2cccc[nH+]2)CC1 ZINC000895110362 948640708 /nfs/dbraw/zinc/64/07/08/948640708.db2.gz JLSBZYNYTTWWKY-BFYDXBDKSA-N 2 2 358.511 3.666 20 0 FHADLP FC(F)(F)c1ccc2c(NCC3([NH+]4CCOCC4)CC3)cc[nH+]c2c1 ZINC000433803709 948674015 /nfs/dbraw/zinc/67/40/15/948674015.db2.gz FBLJOEAKVLGHPI-UHFFFAOYSA-N 2 2 351.372 3.530 20 0 FHADLP CO[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Cc1ccccc1 ZINC000639121383 948767378 /nfs/dbraw/zinc/76/73/78/948767378.db2.gz OKBYEIBHSKDSIP-ACBHZAAOSA-N 2 2 370.459 3.639 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663713783 948779254 /nfs/dbraw/zinc/77/92/54/948779254.db2.gz GAKFKTMDWYAAFJ-PBHICJAKSA-N 2 2 352.438 3.536 20 0 FHADLP Fc1cc(Cn2cc[nH+]c2)cc(-c2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC000665180300 948793069 /nfs/dbraw/zinc/79/30/69/948793069.db2.gz OKFFDLVARXYVDF-UHFFFAOYSA-N 2 2 365.452 3.612 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000275709491 527512054 /nfs/dbraw/zinc/51/20/54/527512054.db2.gz YFGUPTROBHZQHA-KXBFYZLASA-N 2 2 353.422 3.815 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000275702761 527512390 /nfs/dbraw/zinc/51/23/90/527512390.db2.gz XTEZCGXAOXCRHR-WMZOPIPTSA-N 2 2 356.857 3.632 20 0 FHADLP Cc1[nH+]ccn1CCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000601864131 567866945 /nfs/dbraw/zinc/86/69/45/567866945.db2.gz ZGAZQBWYMQLBPV-UHFFFAOYSA-N 2 2 351.410 3.591 20 0 FHADLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000563088029 567867558 /nfs/dbraw/zinc/86/75/58/567867558.db2.gz YAOKHAXAODEGJR-SFHVURJKSA-N 2 2 370.541 3.786 20 0 FHADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866043 567867732 /nfs/dbraw/zinc/86/77/32/567867732.db2.gz FBIVTQXIHIYGBA-INIZCTEOSA-N 2 2 354.454 3.726 20 0 FHADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866043 567867733 /nfs/dbraw/zinc/86/77/33/567867733.db2.gz FBIVTQXIHIYGBA-INIZCTEOSA-N 2 2 354.454 3.726 20 0 FHADLP CCC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469899 568103003 /nfs/dbraw/zinc/10/30/03/568103003.db2.gz ZEAVSUFYZHKNDX-TZIWHRDSSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@H](CC1CCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469899 568103004 /nfs/dbraw/zinc/10/30/04/568103004.db2.gz ZEAVSUFYZHKNDX-TZIWHRDSSA-N 2 2 363.590 3.610 20 0 FHADLP C[NH+](C)CC[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)C(C)(C)C ZINC000604773200 568363690 /nfs/dbraw/zinc/36/36/90/568363690.db2.gz KNBYZSJAPOMXCJ-VQTJNVASSA-N 2 2 359.558 3.696 20 0 FHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605092717 568562253 /nfs/dbraw/zinc/56/22/53/568562253.db2.gz QXGMPUZDKIWGNX-OAQYLSRUSA-N 2 2 366.509 3.647 20 0 FHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605092717 568562255 /nfs/dbraw/zinc/56/22/55/568562255.db2.gz QXGMPUZDKIWGNX-OAQYLSRUSA-N 2 2 366.509 3.647 20 0 FHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(C4CC4)[nH+]3)CC[C@@H]21 ZINC001164839472 720640531 /nfs/dbraw/zinc/64/05/31/720640531.db2.gz NKFAWSZAAAPQEG-DYXWJJEUSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(C4CC4)[nH+]3)CC[C@@H]21 ZINC001164839472 720640536 /nfs/dbraw/zinc/64/05/36/720640536.db2.gz NKFAWSZAAAPQEG-DYXWJJEUSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121371243 936314573 /nfs/dbraw/zinc/31/45/73/936314573.db2.gz IVROUVGDQYBEAI-UHFFFAOYSA-N 2 2 361.493 3.643 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000582968990 936331888 /nfs/dbraw/zinc/33/18/88/936331888.db2.gz XEMPKYRCRQEIAZ-QWHCGFSZSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000582968990 936331893 /nfs/dbraw/zinc/33/18/93/936331893.db2.gz XEMPKYRCRQEIAZ-QWHCGFSZSA-N 2 2 364.287 3.521 20 0 FHADLP CC[C@H](C)[N@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000162246210 936363197 /nfs/dbraw/zinc/36/31/97/936363197.db2.gz RLNQNDYXIIALND-AWEZNQCLSA-N 2 2 368.403 3.641 20 0 FHADLP CC[C@H](C)[N@@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000162246210 936363202 /nfs/dbraw/zinc/36/32/02/936363202.db2.gz RLNQNDYXIIALND-AWEZNQCLSA-N 2 2 368.403 3.641 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784362 937177511 /nfs/dbraw/zinc/17/75/11/937177511.db2.gz XRKWVLAHZKLQNL-OAHLLOKOSA-N 2 2 358.507 3.606 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784362 937177514 /nfs/dbraw/zinc/17/75/14/937177514.db2.gz XRKWVLAHZKLQNL-OAHLLOKOSA-N 2 2 358.507 3.606 20 0 FHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278101875 937177748 /nfs/dbraw/zinc/17/77/48/937177748.db2.gz PHRJCLGXMYEPBD-RTBURBONSA-N 2 2 370.497 3.504 20 0 FHADLP CC[NH+](CC)Cc1ccc(-c2nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000278101875 937177752 /nfs/dbraw/zinc/17/77/52/937177752.db2.gz PHRJCLGXMYEPBD-RTBURBONSA-N 2 2 370.497 3.504 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000154204218 937189797 /nfs/dbraw/zinc/18/97/97/937189797.db2.gz UWRLTEBLAOGSIY-WWMYMODYSA-N 2 2 369.509 3.660 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000154204218 937189800 /nfs/dbraw/zinc/18/98/00/937189800.db2.gz UWRLTEBLAOGSIY-WWMYMODYSA-N 2 2 369.509 3.660 20 0 FHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000583235136 937265412 /nfs/dbraw/zinc/26/54/12/937265412.db2.gz YHPIOIOCZMQMNN-HZMBPMFUSA-N 2 2 366.690 3.960 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000079923402 937266705 /nfs/dbraw/zinc/26/67/05/937266705.db2.gz DZCDRIWLRYCPJP-UHFFFAOYSA-N 2 2 357.889 3.909 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861335 928883542 /nfs/dbraw/zinc/88/35/42/928883542.db2.gz CYFLWZCSJCCKJF-HZPDHXFCSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861335 928883552 /nfs/dbraw/zinc/88/35/52/928883552.db2.gz CYFLWZCSJCCKJF-HZPDHXFCSA-N 2 2 359.901 3.807 20 0 FHADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)c2C1 ZINC000134781617 929239054 /nfs/dbraw/zinc/23/90/54/929239054.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[NH+]3CCc4ccccc4C3)c2C1 ZINC000134781617 929239065 /nfs/dbraw/zinc/23/90/65/929239065.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[NH+]1Cc2cccc(NC(=O)[C@H](C)[N@@H+]3CCc4ccccc4C3)c2C1 ZINC000134781617 929239070 /nfs/dbraw/zinc/23/90/70/929239070.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[NH+]1Cc2cccc(NC(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)c2C1 ZINC000134781617 929239081 /nfs/dbraw/zinc/23/90/81/929239081.db2.gz PQSZMWHKYWQBGX-KRWDZBQOSA-N 2 2 363.505 3.798 20 0 FHADLP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)CC3 ZINC000180123236 929382539 /nfs/dbraw/zinc/38/25/39/929382539.db2.gz ZLZSBSJITVDURR-GOSISDBHSA-N 2 2 360.505 3.987 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233870 929407767 /nfs/dbraw/zinc/40/77/67/929407767.db2.gz GGYBBDONYXDDCU-JZWVFAODSA-N 2 2 371.569 3.696 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233870 929407773 /nfs/dbraw/zinc/40/77/73/929407773.db2.gz GGYBBDONYXDDCU-JZWVFAODSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233870 929407783 /nfs/dbraw/zinc/40/77/83/929407783.db2.gz GGYBBDONYXDDCU-JZWVFAODSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233870 929407786 /nfs/dbraw/zinc/40/77/86/929407786.db2.gz GGYBBDONYXDDCU-JZWVFAODSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+](CC)[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000180161405 929408777 /nfs/dbraw/zinc/40/87/77/929408777.db2.gz ZIULZEUZFAHGDL-INIZCTEOSA-N 2 2 361.452 3.669 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000180159442 929409491 /nfs/dbraw/zinc/40/94/91/929409491.db2.gz OAURHUDFWQEULX-MBSDFSHPSA-N 2 2 350.506 3.850 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCCC2 ZINC000647286796 937360979 /nfs/dbraw/zinc/36/09/79/937360979.db2.gz RNWNCVTXCHFSSG-IRXDYDNUSA-N 2 2 358.555 3.844 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCCC2 ZINC000647286796 937360981 /nfs/dbraw/zinc/36/09/81/937360981.db2.gz RNWNCVTXCHFSSG-IRXDYDNUSA-N 2 2 358.555 3.844 20 0 FHADLP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692372 929811029 /nfs/dbraw/zinc/81/10/29/929811029.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 2 361.533 3.958 20 0 FHADLP CN1Cc2ccccc2[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692372 929811031 /nfs/dbraw/zinc/81/10/31/929811031.db2.gz PPWDIUCHOHHUDO-PIATZUFCSA-N 2 2 361.533 3.958 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[NH2+]1 ZINC001210498505 929860835 /nfs/dbraw/zinc/86/08/35/929860835.db2.gz QZKHZOUGVLYCKA-CQSZACIVSA-N 2 2 365.399 3.831 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[NH2+]1 ZINC001210498505 929860841 /nfs/dbraw/zinc/86/08/41/929860841.db2.gz QZKHZOUGVLYCKA-CQSZACIVSA-N 2 2 365.399 3.831 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)CC3 ZINC000123226751 929940699 /nfs/dbraw/zinc/94/06/99/929940699.db2.gz JSHFSDCMAZOKHH-HOTGVXAUSA-N 2 2 353.510 3.640 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)CC3 ZINC000123226751 929940706 /nfs/dbraw/zinc/94/07/06/929940706.db2.gz JSHFSDCMAZOKHH-HOTGVXAUSA-N 2 2 353.510 3.640 20 0 FHADLP c1ccc(CC2CC[NH+](CCC[N@@H+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC001167337451 929992603 /nfs/dbraw/zinc/99/26/03/929992603.db2.gz SBYBHDJBPHYBLL-JOCHJYFZSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(CC2CC[NH+](CCC[N@H+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC001167337451 929992604 /nfs/dbraw/zinc/99/26/04/929992604.db2.gz SBYBHDJBPHYBLL-JOCHJYFZSA-N 2 2 372.553 3.559 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000138039121 930039750 /nfs/dbraw/zinc/03/97/50/930039750.db2.gz CBOYRXLMQOESLN-UXHICEINSA-N 2 2 357.542 3.889 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000138039121 930039753 /nfs/dbraw/zinc/03/97/53/930039753.db2.gz CBOYRXLMQOESLN-UXHICEINSA-N 2 2 357.542 3.889 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000138039121 930039758 /nfs/dbraw/zinc/03/97/58/930039758.db2.gz CBOYRXLMQOESLN-UXHICEINSA-N 2 2 357.542 3.889 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000138039121 930039762 /nfs/dbraw/zinc/03/97/62/930039762.db2.gz CBOYRXLMQOESLN-UXHICEINSA-N 2 2 357.542 3.889 20 0 FHADLP C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000580358702 930569230 /nfs/dbraw/zinc/56/92/30/930569230.db2.gz KXSIKHAINMGMMV-HZPDHXFCSA-N 2 2 366.431 3.891 20 0 FHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000275899350 930769541 /nfs/dbraw/zinc/76/95/41/930769541.db2.gz RZYJNFZDEAGPLL-HXUWFJFHSA-N 2 2 364.497 3.595 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000656255497 930891956 /nfs/dbraw/zinc/89/19/56/930891956.db2.gz NRTJCEIQDJJIKZ-UWJYYQICSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000656255497 930891960 /nfs/dbraw/zinc/89/19/60/930891960.db2.gz NRTJCEIQDJJIKZ-UWJYYQICSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000656255497 930891966 /nfs/dbraw/zinc/89/19/66/930891966.db2.gz NRTJCEIQDJJIKZ-UWJYYQICSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000656255497 930891979 /nfs/dbraw/zinc/89/19/79/930891979.db2.gz NRTJCEIQDJJIKZ-UWJYYQICSA-N 2 2 368.500 3.769 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424383 930941054 /nfs/dbraw/zinc/94/10/54/930941054.db2.gz HXQSFXJHVVKGQF-WBVHZDCISA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424383 930941057 /nfs/dbraw/zinc/94/10/57/930941057.db2.gz HXQSFXJHVVKGQF-WBVHZDCISA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424383 930941063 /nfs/dbraw/zinc/94/10/63/930941063.db2.gz HXQSFXJHVVKGQF-WBVHZDCISA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424383 930941067 /nfs/dbraw/zinc/94/10/67/930941067.db2.gz HXQSFXJHVVKGQF-WBVHZDCISA-N 2 2 364.555 3.930 20 0 FHADLP Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(-c2cnn(C)c2)c1 ZINC000580786626 931143578 /nfs/dbraw/zinc/14/35/78/931143578.db2.gz OURDKBJQUXQXHM-UHFFFAOYSA-N 2 2 371.488 3.930 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027588 931475827 /nfs/dbraw/zinc/47/58/27/931475827.db2.gz FOCYSJPJMDIICU-QUCCMNQESA-N 2 2 361.493 3.583 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027588 931475830 /nfs/dbraw/zinc/47/58/30/931475830.db2.gz FOCYSJPJMDIICU-QUCCMNQESA-N 2 2 361.493 3.583 20 0 FHADLP C[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430565329 931888925 /nfs/dbraw/zinc/88/89/25/931888925.db2.gz FIZDPVGCPRBJDT-MRXNPFEDSA-N 2 2 372.340 3.574 20 0 FHADLP C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430565329 931888930 /nfs/dbraw/zinc/88/89/30/931888930.db2.gz FIZDPVGCPRBJDT-MRXNPFEDSA-N 2 2 372.340 3.574 20 0 FHADLP C[N@H+](Cc1ncc(-c2ccc(Br)cc2)o1)CC(C)(C)C[NH3+] ZINC000430575492 931925636 /nfs/dbraw/zinc/92/56/36/931925636.db2.gz LGISWQKXSXBFEW-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP C[N@@H+](Cc1ncc(-c2ccc(Br)cc2)o1)CC(C)(C)C[NH3+] ZINC000430575492 931925640 /nfs/dbraw/zinc/92/56/40/931925640.db2.gz LGISWQKXSXBFEW-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583048 931950643 /nfs/dbraw/zinc/95/06/43/931950643.db2.gz RIVFJVJADNTMHP-UGKGYDQZSA-N 2 2 359.558 3.611 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581244 931955035 /nfs/dbraw/zinc/95/50/35/931955035.db2.gz UCLHLPRPIJBJGX-YLJYHZDGSA-N 2 2 353.510 3.986 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581244 931955039 /nfs/dbraw/zinc/95/50/39/931955039.db2.gz UCLHLPRPIJBJGX-YLJYHZDGSA-N 2 2 353.510 3.986 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000510414618 931973943 /nfs/dbraw/zinc/97/39/43/931973943.db2.gz QXJLBLPGIHNRTL-UHFFFAOYSA-N 2 2 355.320 3.764 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000510414618 931973945 /nfs/dbraw/zinc/97/39/45/931973945.db2.gz QXJLBLPGIHNRTL-UHFFFAOYSA-N 2 2 355.320 3.764 20 0 FHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043497 932021432 /nfs/dbraw/zinc/02/14/32/932021432.db2.gz AECKJHNNBGVXOK-CTNGQTDRSA-N 2 2 351.494 3.577 20 0 FHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043497 932021441 /nfs/dbraw/zinc/02/14/41/932021441.db2.gz AECKJHNNBGVXOK-CTNGQTDRSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043497 932021450 /nfs/dbraw/zinc/02/14/50/932021450.db2.gz AECKJHNNBGVXOK-CTNGQTDRSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CC[C@@H]21 ZINC000092043497 932021460 /nfs/dbraw/zinc/02/14/60/932021460.db2.gz AECKJHNNBGVXOK-CTNGQTDRSA-N 2 2 351.494 3.577 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432003 932068950 /nfs/dbraw/zinc/06/89/50/932068950.db2.gz FQJMWSPLOKQFGJ-SZMVWBNQSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432003 932068955 /nfs/dbraw/zinc/06/89/55/932068955.db2.gz FQJMWSPLOKQFGJ-SZMVWBNQSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581432003 932068972 /nfs/dbraw/zinc/06/89/72/932068972.db2.gz FQJMWSPLOKQFGJ-SZMVWBNQSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581432003 932068985 /nfs/dbraw/zinc/06/89/85/932068985.db2.gz FQJMWSPLOKQFGJ-SZMVWBNQSA-N 2 2 365.587 3.504 20 0 FHADLP Cc1cc2c(s1)N(c1cnc3c(c1)C[NH2+]CC3)c1ccccc1NC2=[NH2+] ZINC001167463398 932076651 /nfs/dbraw/zinc/07/66/51/932076651.db2.gz OIHOSHDJXNLHHQ-UHFFFAOYSA-N 2 2 361.474 3.917 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000581523303 932205081 /nfs/dbraw/zinc/20/50/81/932205081.db2.gz CEICYGUOXIHUQY-LBPRGKRZSA-N 2 2 366.278 3.896 20 0 FHADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615338 932301205 /nfs/dbraw/zinc/30/12/05/932301205.db2.gz BMIKSSPALSGJLY-RXVVDRJESA-N 2 2 371.569 3.579 20 0 FHADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615338 932301213 /nfs/dbraw/zinc/30/12/13/932301213.db2.gz BMIKSSPALSGJLY-RXVVDRJESA-N 2 2 371.569 3.579 20 0 FHADLP COc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000581647162 932380401 /nfs/dbraw/zinc/38/04/01/932380401.db2.gz DXBLLVUVJIBDHA-XAPVIXHLSA-N 2 2 366.505 3.514 20 0 FHADLP COc1ccccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000581647162 932380406 /nfs/dbraw/zinc/38/04/06/932380406.db2.gz DXBLLVUVJIBDHA-XAPVIXHLSA-N 2 2 366.505 3.514 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc(OC4CC4)c3F)[nH+]c2)C1 ZINC000656770923 932407600 /nfs/dbraw/zinc/40/76/00/932407600.db2.gz XIDSWOAZJNMNBP-QGZVFWFLSA-N 2 2 370.472 3.514 20 0 FHADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(OCc3ccccn3)c2)cc1 ZINC000656789437 932426684 /nfs/dbraw/zinc/42/66/84/932426684.db2.gz ZGRMXFUCFHSTQP-DNQXCXABSA-N 2 2 373.500 3.896 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000559080813 932640562 /nfs/dbraw/zinc/64/05/62/932640562.db2.gz MBGBVWXESZVELJ-ACIOBRDBSA-N 2 2 350.506 3.671 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000559080813 932640566 /nfs/dbraw/zinc/64/05/66/932640566.db2.gz MBGBVWXESZVELJ-ACIOBRDBSA-N 2 2 350.506 3.671 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)n1 ZINC000581860416 932758832 /nfs/dbraw/zinc/75/88/32/932758832.db2.gz FKRINZBOKPANNT-MHJFOBGBSA-N 2 2 354.498 3.831 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156409589 932870147 /nfs/dbraw/zinc/87/01/47/932870147.db2.gz DPEDHVSNDMIJFY-QFBILLFUSA-N 2 2 354.498 3.837 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156409589 932870150 /nfs/dbraw/zinc/87/01/50/932870150.db2.gz DPEDHVSNDMIJFY-QFBILLFUSA-N 2 2 354.498 3.837 20 0 FHADLP C[N@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196773 932946079 /nfs/dbraw/zinc/94/60/79/932946079.db2.gz MJUILZRKNKFFAM-JTHBVZDNSA-N 2 2 361.533 3.960 20 0 FHADLP C[N@@H+]1Cc2ccccc2[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196773 932946080 /nfs/dbraw/zinc/94/60/80/932946080.db2.gz MJUILZRKNKFFAM-JTHBVZDNSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196773 932946083 /nfs/dbraw/zinc/94/60/83/932946083.db2.gz MJUILZRKNKFFAM-JTHBVZDNSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196773 932946084 /nfs/dbraw/zinc/94/60/84/932946084.db2.gz MJUILZRKNKFFAM-JTHBVZDNSA-N 2 2 361.533 3.960 20 0 FHADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2Cl)n1 ZINC000510531971 933192610 /nfs/dbraw/zinc/19/26/10/933192610.db2.gz DHNJRYRXZBYXSM-CQSZACIVSA-N 2 2 355.873 3.843 20 0 FHADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2Cl)n1 ZINC000510531971 933192613 /nfs/dbraw/zinc/19/26/13/933192613.db2.gz DHNJRYRXZBYXSM-CQSZACIVSA-N 2 2 355.873 3.843 20 0 FHADLP C[C@@H](CCc1c(F)cccc1F)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000510657431 933371212 /nfs/dbraw/zinc/37/12/12/933371212.db2.gz QCOMINWBEPGJML-KRWDZBQOSA-N 2 2 374.475 3.908 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510667371 933383338 /nfs/dbraw/zinc/38/33/38/933383338.db2.gz RCYHXZIFHKXLRH-HNNXBMFYSA-N 2 2 354.485 3.765 20 0 FHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1)c1ccc(C)cc1 ZINC000430925075 933422966 /nfs/dbraw/zinc/42/29/66/933422966.db2.gz KBMSYUZOXSFFHU-HNNXBMFYSA-N 2 2 372.538 3.695 20 0 FHADLP CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510791529 933742315 /nfs/dbraw/zinc/74/23/15/933742315.db2.gz MYLMMDZQOZXJGL-GOSISDBHSA-N 2 2 357.464 3.765 20 0 FHADLP CCC[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000431099987 933833016 /nfs/dbraw/zinc/83/30/16/933833016.db2.gz SNYNTKIZXZQDQO-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000431099987 933833021 /nfs/dbraw/zinc/83/30/21/933833021.db2.gz SNYNTKIZXZQDQO-UHFFFAOYSA-N 2 2 367.493 3.881 20 0 FHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(C)c[nH+]1 ZINC000535773295 934362486 /nfs/dbraw/zinc/36/24/86/934362486.db2.gz FOVLSOMMEDKPJS-MRXNPFEDSA-N 2 2 366.509 3.674 20 0 FHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c(C)c[nH+]1 ZINC000535773295 934362495 /nfs/dbraw/zinc/36/24/95/934362495.db2.gz FOVLSOMMEDKPJS-MRXNPFEDSA-N 2 2 366.509 3.674 20 0 FHADLP Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)c(C)c[nH+]1 ZINC000535772775 934363147 /nfs/dbraw/zinc/36/31/47/934363147.db2.gz NRWKDYDJVDJNRX-GOSISDBHSA-N 2 2 366.509 3.816 20 0 FHADLP Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C)c[nH+]1 ZINC000535772775 934363163 /nfs/dbraw/zinc/36/31/63/934363163.db2.gz NRWKDYDJVDJNRX-GOSISDBHSA-N 2 2 366.509 3.816 20 0 FHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000181009540 934521905 /nfs/dbraw/zinc/52/19/05/934521905.db2.gz WBIOTJOWAKLQPU-NHCUHLMSSA-N 2 2 370.493 3.929 20 0 FHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328701 934655622 /nfs/dbraw/zinc/65/56/22/934655622.db2.gz XNAQJLXVNRASPR-YUXAGFNASA-N 2 2 371.569 3.586 20 0 FHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328701 934655626 /nfs/dbraw/zinc/65/56/26/934655626.db2.gz XNAQJLXVNRASPR-YUXAGFNASA-N 2 2 371.569 3.586 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000151008007 934746401 /nfs/dbraw/zinc/74/64/01/934746401.db2.gz CWECWCHTVIPDQS-XJKSGUPXSA-N 2 2 353.495 3.684 20 0 FHADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000472058048 934909621 /nfs/dbraw/zinc/90/96/21/934909621.db2.gz CYHJUHZDMCURBP-IFMALSPDSA-N 2 2 370.562 3.771 20 0 FHADLP CCSc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000472058048 934909624 /nfs/dbraw/zinc/90/96/24/934909624.db2.gz CYHJUHZDMCURBP-IFMALSPDSA-N 2 2 370.562 3.771 20 0 FHADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000472066212 934933443 /nfs/dbraw/zinc/93/34/43/934933443.db2.gz QRNMATGNHPEATN-UHFFFAOYSA-N 2 2 353.919 3.807 20 0 FHADLP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000657295615 934997530 /nfs/dbraw/zinc/99/75/30/934997530.db2.gz VHXAEALCDVAJJQ-IYBDPMFKSA-N 2 2 359.539 3.707 20 0 FHADLP Cc1ncsc1-c1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000657295615 934997534 /nfs/dbraw/zinc/99/75/34/934997534.db2.gz VHXAEALCDVAJJQ-IYBDPMFKSA-N 2 2 359.539 3.707 20 0 FHADLP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000657305981 935051652 /nfs/dbraw/zinc/05/16/52/935051652.db2.gz WPVBHQVIEKMDIW-SFHVURJKSA-N 2 2 365.477 3.635 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000431328691 935078393 /nfs/dbraw/zinc/07/83/93/935078393.db2.gz OFODLDFKFWDOQR-HKUYNNGSSA-N 2 2 366.933 3.545 20 0 FHADLP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000657329820 935237355 /nfs/dbraw/zinc/23/73/55/935237355.db2.gz WTMZOAIFJOFERN-MRXNPFEDSA-N 2 2 369.440 3.715 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1NC(C)=O ZINC000152254734 935341453 /nfs/dbraw/zinc/34/14/53/935341453.db2.gz VHSDNBQWWMHXKR-HNNXBMFYSA-N 2 2 364.449 3.690 20 0 FHADLP C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000582151909 935353867 /nfs/dbraw/zinc/35/38/67/935353867.db2.gz WDWDBIIBHSVPJQ-HNNXBMFYSA-N 2 2 351.454 3.585 20 0 FHADLP c1ccc(C[N@H+]2CCC[C@H]2C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657362599 935368983 /nfs/dbraw/zinc/36/89/83/935368983.db2.gz XWCPSMDBWQELBC-GMAHTHKFSA-N 2 2 366.505 3.609 20 0 FHADLP c1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657362599 935368987 /nfs/dbraw/zinc/36/89/87/935368987.db2.gz XWCPSMDBWQELBC-GMAHTHKFSA-N 2 2 366.505 3.609 20 0 FHADLP CC(=O)N(c1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1)c1ccc(C)cc1 ZINC000582184658 935383533 /nfs/dbraw/zinc/38/35/33/935383533.db2.gz HIPYJBPWFYNUAG-UHFFFAOYSA-N 2 2 372.538 3.697 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(F)c(F)c3F)[nH+]c2)CC1 ZINC000657402091 935572571 /nfs/dbraw/zinc/57/25/71/935572571.db2.gz LZKWGVSMLZNYOH-UHFFFAOYSA-N 2 2 364.415 3.641 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000277593577 935689700 /nfs/dbraw/zinc/68/97/00/935689700.db2.gz VBVUKSJACGYKNS-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000277593577 935689704 /nfs/dbraw/zinc/68/97/04/935689704.db2.gz VBVUKSJACGYKNS-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000582502615 935780730 /nfs/dbraw/zinc/78/07/30/935780730.db2.gz KEYVJJRBLPQPPB-OAQYLSRUSA-N 2 2 362.477 3.861 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149164 935799934 /nfs/dbraw/zinc/79/99/34/935799934.db2.gz DHUPWIVRUCLKDL-HNAYVOBHSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149164 935799936 /nfs/dbraw/zinc/79/99/36/935799936.db2.gz DHUPWIVRUCLKDL-HNAYVOBHSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000511149164 935799937 /nfs/dbraw/zinc/79/99/37/935799937.db2.gz DHUPWIVRUCLKDL-HNAYVOBHSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000511149164 935799938 /nfs/dbraw/zinc/79/99/38/935799938.db2.gz DHUPWIVRUCLKDL-HNAYVOBHSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149165 935800169 /nfs/dbraw/zinc/80/01/69/935800169.db2.gz DHUPWIVRUCLKDL-KXBFYZLASA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149165 935800172 /nfs/dbraw/zinc/80/01/72/935800172.db2.gz DHUPWIVRUCLKDL-KXBFYZLASA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000511149165 935800175 /nfs/dbraw/zinc/80/01/75/935800175.db2.gz DHUPWIVRUCLKDL-KXBFYZLASA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000511149165 935800176 /nfs/dbraw/zinc/80/01/76/935800176.db2.gz DHUPWIVRUCLKDL-KXBFYZLASA-N 2 2 362.901 3.575 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159215440 935814473 /nfs/dbraw/zinc/81/44/73/935814473.db2.gz YLBZQHWLUIAQCH-ZDUSSCGKSA-N 2 2 360.420 3.579 20 0 FHADLP CC(C)(C)CCOc1cnccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657466297 935826747 /nfs/dbraw/zinc/82/67/47/935826747.db2.gz FCIMSNKYCZNEHO-UHFFFAOYSA-N 2 2 365.481 3.767 20 0 FHADLP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccn1 ZINC000152816965 935869176 /nfs/dbraw/zinc/86/91/76/935869176.db2.gz NXJHRIAXYHKYRV-JOCHJYFZSA-N 2 2 352.526 3.861 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106215103 945139121 /nfs/dbraw/zinc/13/91/21/945139121.db2.gz JWGZUJFGSJFQHI-ROUUACIJSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106215103 945139124 /nfs/dbraw/zinc/13/91/24/945139124.db2.gz JWGZUJFGSJFQHI-ROUUACIJSA-N 2 2 354.498 3.726 20 0 FHADLP C[C@@H](Oc1cc[nH+]c(NCc2c[nH+]c(N(C)C)n2C)c1)c1ccccc1 ZINC000657617220 936098331 /nfs/dbraw/zinc/09/83/31/936098331.db2.gz FHJPCLWJASFCEY-OAHLLOKOSA-N 2 2 351.454 3.633 20 0 FHADLP CCC[N@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C1CC[NH2+]CC1 ZINC000582785343 936120858 /nfs/dbraw/zinc/12/08/58/936120858.db2.gz BVQVOKPNWAEWBE-UHFFFAOYSA-N 2 2 373.522 3.561 20 0 FHADLP CCC[N@@H+](Cc1csc(-c2ccc(C(=O)OC)cc2)n1)C1CC[NH2+]CC1 ZINC000582785343 936120860 /nfs/dbraw/zinc/12/08/60/936120860.db2.gz BVQVOKPNWAEWBE-UHFFFAOYSA-N 2 2 373.522 3.561 20 0 FHADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793787 936130704 /nfs/dbraw/zinc/13/07/04/936130704.db2.gz OODUZNLYVOWTIB-RDTXWAMCSA-N 2 2 367.415 3.834 20 0 FHADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793787 936130707 /nfs/dbraw/zinc/13/07/07/936130707.db2.gz OODUZNLYVOWTIB-RDTXWAMCSA-N 2 2 367.415 3.834 20 0 FHADLP CC[N@H+](Cc1cnc(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000628173029 936235146 /nfs/dbraw/zinc/23/51/46/936235146.db2.gz FRIJCHOXWKBVID-UHFFFAOYSA-N 2 2 357.502 3.696 20 0 FHADLP CC[N@@H+](Cc1cnc(C)o1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000628173029 936235147 /nfs/dbraw/zinc/23/51/47/936235147.db2.gz FRIJCHOXWKBVID-UHFFFAOYSA-N 2 2 357.502 3.696 20 0 FHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1 ZINC000120792880 936257810 /nfs/dbraw/zinc/25/78/10/936257810.db2.gz CWOAUQVOKOMFIN-CQSZACIVSA-N 2 2 367.324 3.919 20 0 FHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)C1 ZINC000120792880 936257814 /nfs/dbraw/zinc/25/78/14/936257814.db2.gz CWOAUQVOKOMFIN-CQSZACIVSA-N 2 2 367.324 3.919 20 0 FHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000161446725 936272631 /nfs/dbraw/zinc/27/26/31/936272631.db2.gz RGQJKIXYSNHVKS-KRWDZBQOSA-N 2 2 366.292 3.680 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000261843464 938304974 /nfs/dbraw/zinc/30/49/74/938304974.db2.gz IWZGZJXBKIJPCZ-ZDUSSCGKSA-N 2 2 358.313 3.644 20 0 FHADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH2+]C1 ZINC000261843464 938304976 /nfs/dbraw/zinc/30/49/76/938304976.db2.gz IWZGZJXBKIJPCZ-ZDUSSCGKSA-N 2 2 358.313 3.644 20 0 FHADLP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414964608 945196812 /nfs/dbraw/zinc/19/68/12/945196812.db2.gz YRBNLILRUJXYHF-DNVCBOLYSA-N 2 2 356.514 3.544 20 0 FHADLP FC(F)(F)Oc1ccccc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000090234871 938872783 /nfs/dbraw/zinc/87/27/83/938872783.db2.gz DNAZZHRENHXQTL-UHFFFAOYSA-N 2 2 365.399 3.781 20 0 FHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000584433575 938873186 /nfs/dbraw/zinc/87/31/86/938873186.db2.gz HQEOVXGJLDOCSX-LJQANCHMSA-N 2 2 365.452 3.899 20 0 FHADLP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000090844466 938883438 /nfs/dbraw/zinc/88/34/38/938883438.db2.gz NZGMJTLWPAMKSF-HSZRJFAPSA-N 2 2 352.522 3.579 20 0 FHADLP COc1cccc(C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000090881856 938884194 /nfs/dbraw/zinc/88/41/94/938884194.db2.gz KOAJHHJWZRNIEP-OAQYLSRUSA-N 2 2 351.494 3.670 20 0 FHADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc2ccc(Cl)cc2n1C ZINC000091284646 938899253 /nfs/dbraw/zinc/89/92/53/938899253.db2.gz BPSTXPBGMOBADX-CYBMUJFWSA-N 2 2 357.889 3.653 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000092073779 938910836 /nfs/dbraw/zinc/91/08/36/938910836.db2.gz DBCDAQAXJYEFHK-AWEZNQCLSA-N 2 2 351.397 3.789 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OC(F)F ZINC000092073779 938910838 /nfs/dbraw/zinc/91/08/38/938910838.db2.gz DBCDAQAXJYEFHK-AWEZNQCLSA-N 2 2 351.397 3.789 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073245 938910908 /nfs/dbraw/zinc/91/09/08/938910908.db2.gz MQYFQBXYMXMOQD-HNNXBMFYSA-N 2 2 371.435 3.870 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073245 938910909 /nfs/dbraw/zinc/91/09/09/938910909.db2.gz MQYFQBXYMXMOQD-HNNXBMFYSA-N 2 2 371.435 3.870 20 0 FHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742186 938929633 /nfs/dbraw/zinc/92/96/33/938929633.db2.gz GJLRZXCNHJQDCX-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742186 938929634 /nfs/dbraw/zinc/92/96/34/938929634.db2.gz GJLRZXCNHJQDCX-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742186 938929636 /nfs/dbraw/zinc/92/96/36/938929636.db2.gz GJLRZXCNHJQDCX-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742186 938929637 /nfs/dbraw/zinc/92/96/37/938929637.db2.gz GJLRZXCNHJQDCX-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc(N3CCCC3)nc2)CC1 ZINC000685467923 938989098 /nfs/dbraw/zinc/98/90/98/938989098.db2.gz OPRNKLVDMFZICF-UHFFFAOYSA-N 2 2 364.537 3.778 20 0 FHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCCC3)nc2)CC1 ZINC000685467923 938989099 /nfs/dbraw/zinc/98/90/99/938989099.db2.gz OPRNKLVDMFZICF-UHFFFAOYSA-N 2 2 364.537 3.778 20 0 FHADLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278816910 939000632 /nfs/dbraw/zinc/00/06/32/939000632.db2.gz HCKGLRGBPXVNCR-UHFFFAOYSA-N 2 2 358.417 3.646 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566856 939001280 /nfs/dbraw/zinc/00/12/80/939001280.db2.gz YQTJDRVHJPWPTD-MAUKXSAKSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566856 939001281 /nfs/dbraw/zinc/00/12/81/939001281.db2.gz YQTJDRVHJPWPTD-MAUKXSAKSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566856 939001282 /nfs/dbraw/zinc/00/12/82/939001282.db2.gz YQTJDRVHJPWPTD-MAUKXSAKSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566856 939001283 /nfs/dbraw/zinc/00/12/83/939001283.db2.gz YQTJDRVHJPWPTD-MAUKXSAKSA-N 2 2 359.539 3.566 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(Cl)c1 ZINC000657981599 939015477 /nfs/dbraw/zinc/01/54/77/939015477.db2.gz SCPREDLPNNRLDF-CMPLNLGQSA-N 2 2 354.679 3.965 20 0 FHADLP COCCOc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336946 939015861 /nfs/dbraw/zinc/01/58/61/939015861.db2.gz QWZVHIGJGAZIOQ-NRFANRHFSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336946 939015862 /nfs/dbraw/zinc/01/58/62/939015862.db2.gz QWZVHIGJGAZIOQ-NRFANRHFSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336946 939015863 /nfs/dbraw/zinc/01/58/63/939015863.db2.gz QWZVHIGJGAZIOQ-NRFANRHFSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336946 939015864 /nfs/dbraw/zinc/01/58/64/939015864.db2.gz QWZVHIGJGAZIOQ-NRFANRHFSA-N 2 2 368.521 3.666 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089625 939022163 /nfs/dbraw/zinc/02/21/63/939022163.db2.gz AKAWKWLVRYJCQD-RDJZCZTQSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089625 939022164 /nfs/dbraw/zinc/02/21/64/939022164.db2.gz AKAWKWLVRYJCQD-RDJZCZTQSA-N 2 2 365.949 3.539 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090135 939022225 /nfs/dbraw/zinc/02/22/25/939022225.db2.gz DPVQFYWVURIABH-UKRRQHHQSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090135 939022226 /nfs/dbraw/zinc/02/22/26/939022226.db2.gz DPVQFYWVURIABH-UKRRQHHQSA-N 2 2 367.921 3.528 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091852 939022426 /nfs/dbraw/zinc/02/24/26/939022426.db2.gz NOMDVIQPXBAMBD-MAUKXSAKSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091852 939022427 /nfs/dbraw/zinc/02/24/27/939022427.db2.gz NOMDVIQPXBAMBD-MAUKXSAKSA-N 2 2 365.949 3.539 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658122131 939032556 /nfs/dbraw/zinc/03/25/56/939032556.db2.gz SNZFRRKZMNREIQ-PXNSSMCTSA-N 2 2 354.494 3.704 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000658122131 939032560 /nfs/dbraw/zinc/03/25/60/939032560.db2.gz SNZFRRKZMNREIQ-PXNSSMCTSA-N 2 2 354.494 3.704 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658127250 939033881 /nfs/dbraw/zinc/03/38/81/939033881.db2.gz LPTYLFWARWDHKH-GCJKJVERSA-N 2 2 360.505 3.673 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658127250 939033887 /nfs/dbraw/zinc/03/38/87/939033887.db2.gz LPTYLFWARWDHKH-GCJKJVERSA-N 2 2 360.505 3.673 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc12 ZINC000658292498 939099917 /nfs/dbraw/zinc/09/99/17/939099917.db2.gz ZZVNMTUHYCUMJK-AEFFLSMTSA-N 2 2 354.494 3.752 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1OC ZINC000658295303 939101295 /nfs/dbraw/zinc/10/12/95/939101295.db2.gz RPPCKDGPRSRGFA-WMZOPIPTSA-N 2 2 352.906 3.643 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316560 939109921 /nfs/dbraw/zinc/10/99/21/939109921.db2.gz FUAWWDYSSYMCRB-QUCCMNQESA-N 2 2 364.537 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316560 939109923 /nfs/dbraw/zinc/10/99/23/939109923.db2.gz FUAWWDYSSYMCRB-QUCCMNQESA-N 2 2 364.537 3.782 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421838350 939128939 /nfs/dbraw/zinc/12/89/39/939128939.db2.gz UNDSEFZXXCOIJT-XLIONFOSSA-N 2 2 350.510 3.539 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421838351 939129133 /nfs/dbraw/zinc/12/91/33/939129133.db2.gz UNDSEFZXXCOIJT-YLJYHZDGSA-N 2 2 350.510 3.539 20 0 FHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137842 /nfs/dbraw/zinc/13/78/42/939137842.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 3 2 371.613 3.993 20 0 FHADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137844 /nfs/dbraw/zinc/13/78/44/939137844.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137845 /nfs/dbraw/zinc/13/78/45/939137845.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@H](C)C1 ZINC001167686511 939137848 /nfs/dbraw/zinc/13/78/48/939137848.db2.gz RIXAVWOCMAEULS-ZJSXRUAMSA-N 3 2 371.613 3.993 20 0 FHADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000569752710 939952113 /nfs/dbraw/zinc/95/21/13/939952113.db2.gz DEVTWARJXJUZQD-UHFFFAOYSA-N 2 2 371.912 3.841 20 0 FHADLP CCc1cccnc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000507515151 945292312 /nfs/dbraw/zinc/29/23/12/945292312.db2.gz UVFFRLZXRLDXAJ-INIZCTEOSA-N 2 2 353.514 3.743 20 0 FHADLP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)sc1C ZINC000892509880 940229519 /nfs/dbraw/zinc/22/95/19/940229519.db2.gz DHMHTNKVRKKEEH-HUUCEWRRSA-N 2 2 359.539 3.659 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168795 940410087 /nfs/dbraw/zinc/41/00/87/940410087.db2.gz YEPGOWVXIXPKME-AUSJPIAWSA-N 2 2 369.538 3.764 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168795 940410095 /nfs/dbraw/zinc/41/00/95/940410095.db2.gz YEPGOWVXIXPKME-AUSJPIAWSA-N 2 2 369.538 3.764 20 0 FHADLP C[NH+](C)CC1CC[NH+](c2ccc(Nc3cc(C(F)F)ncn3)cc2)CC1 ZINC000892614658 940971015 /nfs/dbraw/zinc/97/10/15/940971015.db2.gz LVPXWFLDNBNCRK-UHFFFAOYSA-N 2 2 361.440 3.936 20 0 FHADLP COc1cc(Br)ccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000472599579 941058602 /nfs/dbraw/zinc/05/86/02/941058602.db2.gz IPCMWBQFCCCVSX-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP COc1cc(Br)ccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000472599579 941058604 /nfs/dbraw/zinc/05/86/04/941058604.db2.gz IPCMWBQFCCCVSX-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP CCc1cccc(OCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177255456 941109147 /nfs/dbraw/zinc/10/91/47/941109147.db2.gz CFCNIOMBHBDSQQ-UHFFFAOYSA-N 2 2 367.537 3.662 20 0 FHADLP CCc1cccc(OCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177255456 941109148 /nfs/dbraw/zinc/10/91/48/941109148.db2.gz CFCNIOMBHBDSQQ-UHFFFAOYSA-N 2 2 367.537 3.662 20 0 FHADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000311245913 941150550 /nfs/dbraw/zinc/15/05/50/941150550.db2.gz JCOIGTAHTGZQBJ-JCYILVPMSA-N 2 2 364.534 3.723 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000311249989 941152599 /nfs/dbraw/zinc/15/25/99/941152599.db2.gz SFHUYVRUFWWZLH-GVDBMIGSSA-N 2 2 364.534 3.723 20 0 FHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000376647808 941371345 /nfs/dbraw/zinc/37/13/45/941371345.db2.gz APWVUZSGNHVSMF-VQTJNVASSA-N 2 2 367.493 3.533 20 0 FHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(C(F)(F)F)c1 ZINC001143485708 941488573 /nfs/dbraw/zinc/48/85/73/941488573.db2.gz HMUDNMLAFXEUCA-UHFFFAOYSA-N 2 2 365.399 3.740 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000549168066 941573709 /nfs/dbraw/zinc/57/37/09/941573709.db2.gz ZIWKSYQWLYOGKA-LVXARBLLSA-N 2 2 370.562 3.685 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000549168066 941573711 /nfs/dbraw/zinc/57/37/11/941573711.db2.gz ZIWKSYQWLYOGKA-LVXARBLLSA-N 2 2 370.562 3.685 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055027 941574337 /nfs/dbraw/zinc/57/43/37/941574337.db2.gz QQDUCXPENFMWQD-LPHOPBHVSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055027 941574340 /nfs/dbraw/zinc/57/43/40/941574340.db2.gz QQDUCXPENFMWQD-LPHOPBHVSA-N 2 2 357.523 3.783 20 0 FHADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415083076 941593505 /nfs/dbraw/zinc/59/35/05/941593505.db2.gz FECJCBIJFAAWTI-QOKNQOGYSA-N 2 2 358.457 3.987 20 0 FHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000377412500 941708285 /nfs/dbraw/zinc/70/82/85/941708285.db2.gz OBPKORBKEMCLAH-BHYGNILZSA-N 2 2 373.472 3.705 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204951 941779804 /nfs/dbraw/zinc/77/98/04/941779804.db2.gz YDLKCMDTEWKSBF-SIKLNZKXSA-N 3 2 365.606 3.510 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204951 941779806 /nfs/dbraw/zinc/77/98/06/941779806.db2.gz YDLKCMDTEWKSBF-SIKLNZKXSA-N 3 2 365.606 3.510 20 0 FHADLP CCC[N@H+](CC)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513330252 941855853 /nfs/dbraw/zinc/85/58/53/941855853.db2.gz KMNKOFUGJBGPPR-UHFFFAOYSA-N 2 2 355.929 3.765 20 0 FHADLP CCC[N@@H+](CC)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513330252 941855859 /nfs/dbraw/zinc/85/58/59/941855859.db2.gz KMNKOFUGJBGPPR-UHFFFAOYSA-N 2 2 355.929 3.765 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793495 941996030 /nfs/dbraw/zinc/99/60/30/941996030.db2.gz SJYCKNPHZBDNMK-XIKOKIGWSA-N 2 2 351.466 3.730 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793495 941996033 /nfs/dbraw/zinc/99/60/33/941996033.db2.gz SJYCKNPHZBDNMK-XIKOKIGWSA-N 2 2 351.466 3.730 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)[C@@H](C)C2)s1 ZINC000377794174 941997007 /nfs/dbraw/zinc/99/70/07/941997007.db2.gz XNHOMGNBPSBQED-LIRRHRJNSA-N 2 2 354.523 3.933 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)[C@@H](C)C2)s1 ZINC000377794174 941997009 /nfs/dbraw/zinc/99/70/09/941997009.db2.gz XNHOMGNBPSBQED-LIRRHRJNSA-N 2 2 354.523 3.933 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)[C@@H](C)C2)s1 ZINC000377794172 941997195 /nfs/dbraw/zinc/99/71/95/941997195.db2.gz XNHOMGNBPSBQED-IFXJQAMLSA-N 2 2 354.523 3.933 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccc4[nH]ccc43)[C@@H](C)C2)s1 ZINC000377794172 941997200 /nfs/dbraw/zinc/99/72/00/941997200.db2.gz XNHOMGNBPSBQED-IFXJQAMLSA-N 2 2 354.523 3.933 20 0 FHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000513532035 942001148 /nfs/dbraw/zinc/00/11/48/942001148.db2.gz KBYQVQWKFPFSIJ-FQEVSTJZSA-N 2 2 358.432 3.574 20 0 FHADLP COc1cc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1OC ZINC000434002057 942036196 /nfs/dbraw/zinc/03/61/96/942036196.db2.gz MAWYQZPHUPUIDC-AVRDEDQJSA-N 2 2 369.509 3.532 20 0 FHADLP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1OC ZINC000434002057 942036197 /nfs/dbraw/zinc/03/61/97/942036197.db2.gz MAWYQZPHUPUIDC-AVRDEDQJSA-N 2 2 369.509 3.532 20 0 FHADLP COc1cc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434002057 942036199 /nfs/dbraw/zinc/03/61/99/942036199.db2.gz MAWYQZPHUPUIDC-AVRDEDQJSA-N 2 2 369.509 3.532 20 0 FHADLP COc1cc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000434002057 942036200 /nfs/dbraw/zinc/03/62/00/942036200.db2.gz MAWYQZPHUPUIDC-AVRDEDQJSA-N 2 2 369.509 3.532 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043504 /nfs/dbraw/zinc/04/35/04/942043504.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043506 /nfs/dbraw/zinc/04/35/06/942043506.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043510 /nfs/dbraw/zinc/04/35/10/942043510.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2C)[C@@H]1c1cnn(C)c1 ZINC000434021050 942043512 /nfs/dbraw/zinc/04/35/12/942043512.db2.gz JQGSSYXGLVEEFJ-LAUBAEHRSA-N 2 2 358.505 3.773 20 0 FHADLP C[N@@H+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434005612 942045187 /nfs/dbraw/zinc/04/51/87/942045187.db2.gz IJFWZEUQQLWWRF-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[N@H+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434005612 942045191 /nfs/dbraw/zinc/04/51/91/942045191.db2.gz IJFWZEUQQLWWRF-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434005612 942045196 /nfs/dbraw/zinc/04/51/96/942045196.db2.gz IJFWZEUQQLWWRF-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[NH+](Cc1ccc(F)c2cccnc12)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434005612 942045200 /nfs/dbraw/zinc/04/52/00/942045200.db2.gz IJFWZEUQQLWWRF-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217099 942132058 /nfs/dbraw/zinc/13/20/58/942132058.db2.gz IYRVBHLBJNLSRF-XEZPLFJOSA-N 2 2 362.823 3.609 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217099 942132062 /nfs/dbraw/zinc/13/20/62/942132062.db2.gz IYRVBHLBJNLSRF-XEZPLFJOSA-N 2 2 362.823 3.609 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000182091269 942204661 /nfs/dbraw/zinc/20/46/61/942204661.db2.gz ZFLITYDDZAHQNM-KRWDZBQOSA-N 2 2 357.498 3.671 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000182091269 942204664 /nfs/dbraw/zinc/20/46/64/942204664.db2.gz ZFLITYDDZAHQNM-KRWDZBQOSA-N 2 2 357.498 3.671 20 0 FHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000420813905 942219755 /nfs/dbraw/zinc/21/97/55/942219755.db2.gz VYMAGXVMRYMEDT-NQIIRXRSSA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C)[nH+]1 ZINC000420813905 942219761 /nfs/dbraw/zinc/21/97/61/942219761.db2.gz VYMAGXVMRYMEDT-NQIIRXRSSA-N 2 2 366.509 3.551 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccsc1 ZINC000420814236 942220020 /nfs/dbraw/zinc/22/00/20/942220020.db2.gz ZAUFLOKOGQQEJL-SFHVURJKSA-N 2 2 360.527 3.642 20 0 FHADLP CC(C)CCOC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420907332 942247495 /nfs/dbraw/zinc/24/74/95/942247495.db2.gz VFKCEQLSGNIOTB-UHFFFAOYSA-N 2 2 360.542 3.546 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)ccc(Br)c1F ZINC000501032611 942262853 /nfs/dbraw/zinc/26/28/53/942262853.db2.gz PFLDXEWAOMLKBC-UHFFFAOYSA-N 2 2 358.230 3.754 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)ccc(Br)c1F ZINC000501032611 942262859 /nfs/dbraw/zinc/26/28/59/942262859.db2.gz PFLDXEWAOMLKBC-UHFFFAOYSA-N 2 2 358.230 3.754 20 0 FHADLP Cc1cnc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)s1 ZINC000420948173 942270011 /nfs/dbraw/zinc/27/00/11/942270011.db2.gz OZXCUGDOEAIERX-LJQANCHMSA-N 2 2 357.523 3.525 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951977 942273029 /nfs/dbraw/zinc/27/30/29/942273029.db2.gz RKJPGITULDDDTM-RBUKOAKNSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951977 942273031 /nfs/dbraw/zinc/27/30/31/942273031.db2.gz RKJPGITULDDDTM-RBUKOAKNSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951977 942273034 /nfs/dbraw/zinc/27/30/34/942273034.db2.gz RKJPGITULDDDTM-RBUKOAKNSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951977 942273035 /nfs/dbraw/zinc/27/30/35/942273035.db2.gz RKJPGITULDDDTM-RBUKOAKNSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420962713 942278372 /nfs/dbraw/zinc/27/83/72/942278372.db2.gz KWDXPCOLEFCRSF-UHFFFAOYSA-N 2 2 356.432 3.683 20 0 FHADLP CC[C@@](C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(C)cs1 ZINC000420942459 942280327 /nfs/dbraw/zinc/28/03/27/942280327.db2.gz VNDAUWGMXCMGDK-HXUWFJFHSA-N 2 2 359.539 3.699 20 0 FHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000502272616 942324211 /nfs/dbraw/zinc/32/42/11/942324211.db2.gz ZUNJTUSKMTUJTO-NVXWUHKLSA-N 2 2 357.498 3.615 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(F)ccc(Br)c1F)CCC2 ZINC000501468611 942490185 /nfs/dbraw/zinc/49/01/85/942490185.db2.gz BMMDOVUXAYUDGW-NSHDSACASA-N 2 2 370.241 3.899 20 0 FHADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832220 942503162 /nfs/dbraw/zinc/50/31/62/942503162.db2.gz ODVADYSXRDYYKM-SJKOYZFVSA-N 2 2 351.263 3.809 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414835363 942518401 /nfs/dbraw/zinc/51/84/01/942518401.db2.gz RPMSEUOCXKCXGQ-XJKSGUPXSA-N 2 2 365.399 3.712 20 0 FHADLP c1sc(C2CCCC2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513819918 942537724 /nfs/dbraw/zinc/53/77/24/942537724.db2.gz GLCDICGDEMXLSN-UHFFFAOYSA-N 2 2 363.571 3.735 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000501617141 942576553 /nfs/dbraw/zinc/57/65/53/942576553.db2.gz GKMWFERHTQHQKP-RTBURBONSA-N 2 2 368.525 3.518 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000501617141 942576559 /nfs/dbraw/zinc/57/65/59/942576559.db2.gz GKMWFERHTQHQKP-RTBURBONSA-N 2 2 368.525 3.518 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)on1 ZINC000420318579 942620343 /nfs/dbraw/zinc/62/03/43/942620343.db2.gz QJOJIOBLITWYCS-QFBILLFUSA-N 2 2 363.461 3.687 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)on1 ZINC000420318579 942620346 /nfs/dbraw/zinc/62/03/46/942620346.db2.gz QJOJIOBLITWYCS-QFBILLFUSA-N 2 2 363.461 3.687 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420352409 942634973 /nfs/dbraw/zinc/63/49/73/942634973.db2.gz ACSLRWNMPQVXJY-QUCCMNQESA-N 2 2 373.928 3.509 20 0 FHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420365866 942640853 /nfs/dbraw/zinc/64/08/53/942640853.db2.gz QLBYQCOVCCPQKU-HXUWFJFHSA-N 2 2 367.493 3.704 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc2ccccc21 ZINC000420365488 942641043 /nfs/dbraw/zinc/64/10/43/942641043.db2.gz SEPDSOJQXSTPKZ-IIBYNOLFSA-N 2 2 353.510 3.514 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404206 942662681 /nfs/dbraw/zinc/66/26/81/942662681.db2.gz LXVIYTAUTCPWHI-SQNIBIBYSA-N 2 2 367.493 3.723 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404206 942662687 /nfs/dbraw/zinc/66/26/87/942662687.db2.gz LXVIYTAUTCPWHI-SQNIBIBYSA-N 2 2 367.493 3.723 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc(C)c(C)o3)cc2)CC1 ZINC000502705932 942673093 /nfs/dbraw/zinc/67/30/93/942673093.db2.gz CUBSNTMVYGJGPI-SFHVURJKSA-N 2 2 355.526 3.885 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(Cl)c1Cl ZINC000434470643 942690231 /nfs/dbraw/zinc/69/02/31/942690231.db2.gz OWRMILLEHYKBHJ-PVAVHDDUSA-N 2 2 357.325 3.719 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(Cl)c1Cl ZINC000434470643 942690234 /nfs/dbraw/zinc/69/02/34/942690234.db2.gz OWRMILLEHYKBHJ-PVAVHDDUSA-N 2 2 357.325 3.719 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514083293 942735649 /nfs/dbraw/zinc/73/56/49/942735649.db2.gz MIQVVSJGAPCKJB-CYBMUJFWSA-N 2 2 359.474 3.932 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514083293 942735653 /nfs/dbraw/zinc/73/56/53/942735653.db2.gz MIQVVSJGAPCKJB-CYBMUJFWSA-N 2 2 359.474 3.932 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821833 942832200 /nfs/dbraw/zinc/83/22/00/942832200.db2.gz UKUVPVUDSMXHLJ-KRWDZBQOSA-N 2 2 372.944 3.723 20 0 FHADLP COC1([C@H](C)[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CCCC1 ZINC000421828180 942835272 /nfs/dbraw/zinc/83/52/72/942835272.db2.gz BKGUXMIBIPAOQI-OALUTQOASA-N 2 2 360.542 3.824 20 0 FHADLP C[C@@H]1CCC[C@](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)([NH+](C)C)C1 ZINC000425147470 942872654 /nfs/dbraw/zinc/87/26/54/942872654.db2.gz RLJKHJSODCICKA-LZNRXBQRSA-N 2 2 368.525 3.558 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000434749939 942940586 /nfs/dbraw/zinc/94/05/86/942940586.db2.gz XHSXUZYLAJHKIY-RBBKRZOGSA-N 2 2 354.542 3.676 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000434749939 942940589 /nfs/dbraw/zinc/94/05/89/942940589.db2.gz XHSXUZYLAJHKIY-RBBKRZOGSA-N 2 2 354.542 3.676 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000434749939 942940592 /nfs/dbraw/zinc/94/05/92/942940592.db2.gz XHSXUZYLAJHKIY-RBBKRZOGSA-N 2 2 354.542 3.676 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000434749939 942940598 /nfs/dbraw/zinc/94/05/98/942940598.db2.gz XHSXUZYLAJHKIY-RBBKRZOGSA-N 2 2 354.542 3.676 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000422016763 942951784 /nfs/dbraw/zinc/95/17/84/942951784.db2.gz ILAMCMMTBVPOLE-HXUWFJFHSA-N 2 2 371.569 3.589 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000422016763 942951790 /nfs/dbraw/zinc/95/17/90/942951790.db2.gz ILAMCMMTBVPOLE-HXUWFJFHSA-N 2 2 371.569 3.589 20 0 FHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(C)no2)cc1 ZINC000271739669 943043229 /nfs/dbraw/zinc/04/32/29/943043229.db2.gz VZWVJFNKSMJZPI-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(C)no2)cc1 ZINC000271739669 943043239 /nfs/dbraw/zinc/04/32/39/943043239.db2.gz VZWVJFNKSMJZPI-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000503198802 943048702 /nfs/dbraw/zinc/04/87/02/943048702.db2.gz NODNKFHZWSLPIL-NVXWUHKLSA-N 2 2 359.543 3.590 20 0 FHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc2ccccc21 ZINC000434976439 943080435 /nfs/dbraw/zinc/08/04/35/943080435.db2.gz LECSSOFFALZMKW-MRXNPFEDSA-N 2 2 362.477 3.620 20 0 FHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435002567 943095515 /nfs/dbraw/zinc/09/55/15/943095515.db2.gz FNTKHEZGLCTAFZ-KRWDZBQOSA-N 2 2 368.525 3.665 20 0 FHADLP c1[nH+]c(C2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)n2c1CCCC2 ZINC000435062029 943135485 /nfs/dbraw/zinc/13/54/85/943135485.db2.gz WHPKOFZADGATLL-UHFFFAOYSA-N 2 2 361.493 3.989 20 0 FHADLP Clc1cnc2oc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2c1 ZINC000648406082 943147694 /nfs/dbraw/zinc/14/76/94/943147694.db2.gz QCFPNRNYHGCXIR-UHFFFAOYSA-N 2 2 371.868 3.603 20 0 FHADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503364657 943150176 /nfs/dbraw/zinc/15/01/76/943150176.db2.gz FNGILOLOGJYEIH-LJQANCHMSA-N 2 2 351.494 3.980 20 0 FHADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503364657 943150178 /nfs/dbraw/zinc/15/01/78/943150178.db2.gz FNGILOLOGJYEIH-LJQANCHMSA-N 2 2 351.494 3.980 20 0 FHADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406255 943165100 /nfs/dbraw/zinc/16/51/00/943165100.db2.gz MFZPWBPTOOLGFY-KRWDZBQOSA-N 2 2 361.530 3.911 20 0 FHADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406255 943165109 /nfs/dbraw/zinc/16/51/09/943165109.db2.gz MFZPWBPTOOLGFY-KRWDZBQOSA-N 2 2 361.530 3.911 20 0 FHADLP C[C@H]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000272498311 943166229 /nfs/dbraw/zinc/16/62/29/943166229.db2.gz DIXKPLDRECCAHG-LPHOPBHVSA-N 2 2 369.475 3.656 20 0 FHADLP C[C@H]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000272498311 943166236 /nfs/dbraw/zinc/16/62/36/943166236.db2.gz DIXKPLDRECCAHG-LPHOPBHVSA-N 2 2 369.475 3.656 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272660917 943195629 /nfs/dbraw/zinc/19/56/29/943195629.db2.gz HNOIATIRNNMLQV-JLSDUUJJSA-N 2 2 356.470 3.572 20 0 FHADLP [NH3+][C@@H]1C[C@@H](NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699790 943237898 /nfs/dbraw/zinc/23/78/98/943237898.db2.gz BARWHGMEOKXRLH-NHCUHLMSSA-N 2 2 357.448 3.664 20 0 FHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@@H]3C[C@@]3(C)Br)cc2)CC1 ZINC000893283547 943243348 /nfs/dbraw/zinc/24/33/48/943243348.db2.gz UVVJADDXHXAWDU-KBXCAEBGSA-N 2 2 366.347 3.802 20 0 FHADLP C[C@@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718004 943255718 /nfs/dbraw/zinc/25/57/18/943255718.db2.gz WOQWAVPHVRAUHU-DNVCBOLYSA-N 2 2 369.475 3.790 20 0 FHADLP C[C@@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422718004 943255723 /nfs/dbraw/zinc/25/57/23/943255723.db2.gz WOQWAVPHVRAUHU-DNVCBOLYSA-N 2 2 369.475 3.790 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422771765 943277395 /nfs/dbraw/zinc/27/73/95/943277395.db2.gz YNVQBAHACKOJPU-ZIBCJSCZSA-N 2 2 360.542 3.919 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C(C)C)cc1OCC ZINC000422797846 943287347 /nfs/dbraw/zinc/28/73/47/943287347.db2.gz ORYQKTDHNBPNKO-DJPFJPOOSA-N 2 2 364.530 3.538 20 0 FHADLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1OCC(F)(F)F ZINC000422824681 943297139 /nfs/dbraw/zinc/29/71/39/943297139.db2.gz HVMVBBKISSZLBK-HOTGVXAUSA-N 2 2 366.383 3.871 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422830052 943298055 /nfs/dbraw/zinc/29/80/55/943298055.db2.gz QRKLQPMGVWWXGX-LPTQZCDUSA-N 2 2 360.448 3.605 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422846442 943304200 /nfs/dbraw/zinc/30/42/00/943304200.db2.gz FMIJQQMSILLEOF-HNNXBMFYSA-N 2 2 366.534 3.941 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422880939 943315644 /nfs/dbraw/zinc/31/56/44/943315644.db2.gz XXDWMHAQCSKOHP-NWZJSZKRSA-N 2 2 368.521 3.633 20 0 FHADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422917846 943340880 /nfs/dbraw/zinc/34/08/80/943340880.db2.gz FUIGHJZDVJGDNU-UGKGYDQZSA-N 2 2 364.493 3.740 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422949894 943346816 /nfs/dbraw/zinc/34/68/16/943346816.db2.gz UWGZCOHCLBAJOF-RBDMOPTHSA-N 2 2 354.494 3.531 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952925 943348371 /nfs/dbraw/zinc/34/83/71/943348371.db2.gz CSFBWTJTWGEMEE-MMOPVJDHSA-N 2 2 352.478 3.534 20 0 FHADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955350 943348941 /nfs/dbraw/zinc/34/89/41/943348941.db2.gz JASXDELAQIZBEE-DENIHFKCSA-N 2 2 364.493 3.740 20 0 FHADLP COc1ccc([C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422960429 943350529 /nfs/dbraw/zinc/35/05/29/943350529.db2.gz WJAIZBCJEREBKC-RBBKRZOGSA-N 2 2 366.509 3.986 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423066987 943380637 /nfs/dbraw/zinc/38/06/37/943380637.db2.gz YKVVERQXFXXRRL-HTAPYJJXSA-N 3 2 352.526 3.554 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423066987 943380642 /nfs/dbraw/zinc/38/06/42/943380642.db2.gz YKVVERQXFXXRRL-HTAPYJJXSA-N 3 2 352.526 3.554 20 0 FHADLP Cc1ncsc1C[N@H+](C/C=C\c1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000435424894 943404962 /nfs/dbraw/zinc/40/49/62/943404962.db2.gz BSEKAGPQLRQBCM-GWQWAINWSA-N 2 2 363.477 3.855 20 0 FHADLP Cc1ncsc1C[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@H]1CC[NH2+]C1 ZINC000435424894 943404966 /nfs/dbraw/zinc/40/49/66/943404966.db2.gz BSEKAGPQLRQBCM-GWQWAINWSA-N 2 2 363.477 3.855 20 0 FHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000423159387 943418571 /nfs/dbraw/zinc/41/85/71/943418571.db2.gz OYWVPPHFSZQSLO-SQNIBIBYSA-N 2 2 350.384 3.863 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CC[NH2+]C1 ZINC000435441300 943418662 /nfs/dbraw/zinc/41/86/62/943418662.db2.gz FBVSEFRKVZDCGA-MRXNPFEDSA-N 2 2 352.507 3.611 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc2cccnc21)C[C@@H]1CC[NH2+]C1 ZINC000435441300 943418664 /nfs/dbraw/zinc/41/86/64/943418664.db2.gz FBVSEFRKVZDCGA-MRXNPFEDSA-N 2 2 352.507 3.611 20 0 FHADLP COc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCCS2 ZINC000423243216 943456724 /nfs/dbraw/zinc/45/67/24/943456724.db2.gz ZRAIEHZTNPHTLK-GOSISDBHSA-N 2 2 370.522 3.539 20 0 FHADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278128 943469109 /nfs/dbraw/zinc/46/91/09/943469109.db2.gz PMOUMNKCXIPAQB-INIZCTEOSA-N 2 2 358.530 3.934 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000423344414 943477789 /nfs/dbraw/zinc/47/77/89/943477789.db2.gz WUGYWGVXRZAPEJ-IHPCNDPISA-N 2 2 354.519 3.967 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1F ZINC000423361437 943491143 /nfs/dbraw/zinc/49/11/43/943491143.db2.gz GUANOJFRUQDGDZ-UGKGYDQZSA-N 2 2 371.475 3.669 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322628 943514536 /nfs/dbraw/zinc/51/45/36/943514536.db2.gz WELVATJQXXMXGS-LAVFITLUSA-N 2 2 356.539 3.888 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435613935 943515609 /nfs/dbraw/zinc/51/56/09/943515609.db2.gz LGJOHZFFOGTTCR-IBGZPJMESA-N 2 2 351.494 3.756 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435613935 943515614 /nfs/dbraw/zinc/51/56/14/943515614.db2.gz LGJOHZFFOGTTCR-IBGZPJMESA-N 2 2 351.494 3.756 20 0 FHADLP COc1ncc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1Cl ZINC000284337643 943537543 /nfs/dbraw/zinc/53/75/43/943537543.db2.gz MPVMLOARHZPZBJ-CQSZACIVSA-N 2 2 356.857 3.839 20 0 FHADLP c1cc(-c2noc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2)co1 ZINC000435692570 943560034 /nfs/dbraw/zinc/56/00/34/943560034.db2.gz HCJNJZUXMIMAEG-INIZCTEOSA-N 2 2 370.478 3.535 20 0 FHADLP c1cc(-c2noc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2)co1 ZINC000435692570 943560041 /nfs/dbraw/zinc/56/00/41/943560041.db2.gz HCJNJZUXMIMAEG-INIZCTEOSA-N 2 2 370.478 3.535 20 0 FHADLP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@@H]2C[NH2+]CCO2)cs1 ZINC000423577011 943561313 /nfs/dbraw/zinc/56/13/13/943561313.db2.gz RRWHTCXWVBMVGV-WMZOPIPTSA-N 2 2 350.915 3.572 20 0 FHADLP Cc1cc(C)c(N2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)c(C)c1 ZINC000188944713 943793842 /nfs/dbraw/zinc/79/38/42/943793842.db2.gz MGCJTGQEVSUZAH-NRFANRHFSA-N 2 2 374.488 3.693 20 0 FHADLP COc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1OC(F)F ZINC000515373491 943819030 /nfs/dbraw/zinc/81/90/30/943819030.db2.gz JGGAKYIPYCYLOU-UHFFFAOYSA-N 2 2 363.408 3.768 20 0 FHADLP C[C@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[NH2+]C1 ZINC000515380780 943844200 /nfs/dbraw/zinc/84/42/00/943844200.db2.gz HDOSPUIEZDDWCJ-IAGOWNOFSA-N 2 2 364.493 3.566 20 0 FHADLP C[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1(C[NH3+])CCC1 ZINC000414794733 943960739 /nfs/dbraw/zinc/96/07/39/943960739.db2.gz VVVVMOWUXWZSSU-UHFFFAOYSA-N 2 2 357.885 3.906 20 0 FHADLP C[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)C1(C[NH3+])CCC1 ZINC000414794733 943960748 /nfs/dbraw/zinc/96/07/48/943960748.db2.gz VVVVMOWUXWZSSU-UHFFFAOYSA-N 2 2 357.885 3.906 20 0 FHADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(F)c1 ZINC000436047766 943972148 /nfs/dbraw/zinc/97/21/48/943972148.db2.gz DXJQWSTYQKIIPF-KGLIPLIRSA-N 2 2 351.466 3.902 20 0 FHADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(F)c1 ZINC000436047766 943972152 /nfs/dbraw/zinc/97/21/52/943972152.db2.gz DXJQWSTYQKIIPF-KGLIPLIRSA-N 2 2 351.466 3.902 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877362 943977645 /nfs/dbraw/zinc/97/76/45/943977645.db2.gz FSEXXRCQTQBHRO-RBUKOAKNSA-N 2 2 372.534 3.661 20 0 FHADLP CCOc1cccc2cc([C@@H](C)Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)oc21 ZINC000517123114 944028184 /nfs/dbraw/zinc/02/81/84/944028184.db2.gz SCLRWHHWKRPISO-OAHLLOKOSA-N 2 2 366.465 3.809 20 0 FHADLP Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)nc(C(C)C)[nH+]1 ZINC000506129257 944113505 /nfs/dbraw/zinc/11/35/05/944113505.db2.gz ULJBYVDTQDQSHC-UHFFFAOYSA-N 2 2 361.493 3.779 20 0 FHADLP c1c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)noc1-c1ccccc1 ZINC000517356228 944239044 /nfs/dbraw/zinc/23/90/44/944239044.db2.gz MSCZRFLBKPYEHV-SIKLNZKXSA-N 2 2 361.445 3.687 20 0 FHADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCCC(=O)OCC)C2 ZINC001280157943 944239890 /nfs/dbraw/zinc/23/98/90/944239890.db2.gz MFVGKIKPPDNUNH-IBGZPJMESA-N 2 2 352.563 3.944 20 0 FHADLP CCCC[C@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCCC(=O)OCC)C2 ZINC001280157943 944239896 /nfs/dbraw/zinc/23/98/96/944239896.db2.gz MFVGKIKPPDNUNH-IBGZPJMESA-N 2 2 352.563 3.944 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008103 944337215 /nfs/dbraw/zinc/33/72/15/944337215.db2.gz BNWUVZQBTPWRKU-HNAYVOBHSA-N 2 2 374.326 3.865 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cccnc2)C1 ZINC000925008103 944337219 /nfs/dbraw/zinc/33/72/19/944337219.db2.gz BNWUVZQBTPWRKU-HNAYVOBHSA-N 2 2 374.326 3.865 20 0 FHADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2conc2Cc2ccccc2)cc1F ZINC000550175356 944346968 /nfs/dbraw/zinc/34/69/68/944346968.db2.gz QPTMJZAOZZSNGS-UHFFFAOYSA-N 2 2 353.441 3.756 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000518510128 944453778 /nfs/dbraw/zinc/45/37/78/944453778.db2.gz HWAAOBSODIHQOS-SFHVURJKSA-N 2 2 367.415 3.706 20 0 FHADLP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426321802 944454966 /nfs/dbraw/zinc/45/49/66/944454966.db2.gz FVMBHTOVOVFAKM-MRXNPFEDSA-N 2 2 358.445 3.575 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583657 944514670 /nfs/dbraw/zinc/51/46/70/944514670.db2.gz FCTAJJLXFDQGTN-GGAORHGYSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583657 944514671 /nfs/dbraw/zinc/51/46/71/944514671.db2.gz FCTAJJLXFDQGTN-GGAORHGYSA-N 2 2 350.506 3.863 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584531 944636555 /nfs/dbraw/zinc/63/65/55/944636555.db2.gz CCQMHMPZQAZLCQ-HSALFYBXSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584531 944636557 /nfs/dbraw/zinc/63/65/57/944636557.db2.gz CCQMHMPZQAZLCQ-HSALFYBXSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506584531 944636565 /nfs/dbraw/zinc/63/65/65/944636565.db2.gz CCQMHMPZQAZLCQ-HSALFYBXSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506584531 944636574 /nfs/dbraw/zinc/63/65/74/944636574.db2.gz CCQMHMPZQAZLCQ-HSALFYBXSA-N 2 2 363.590 3.752 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000500372949 944672267 /nfs/dbraw/zinc/67/22/67/944672267.db2.gz QSPPJRDMDJZCOU-KRWDZBQOSA-N 2 2 353.510 3.968 20 0 FHADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425669951 944891527 /nfs/dbraw/zinc/89/15/27/944891527.db2.gz DSILBCGLPIGAHT-MRXNPFEDSA-N 2 2 369.513 3.737 20 0 FHADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425669951 944891537 /nfs/dbraw/zinc/89/15/37/944891537.db2.gz DSILBCGLPIGAHT-MRXNPFEDSA-N 2 2 369.513 3.737 20 0 FHADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414941248 944911389 /nfs/dbraw/zinc/91/13/89/944911389.db2.gz LGLZUIANEOMDKN-NHYWBVRUSA-N 2 2 355.429 3.917 20 0 FHADLP Cc1noc(C2CCC([NH2+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)CC2)n1 ZINC000330251182 945425420 /nfs/dbraw/zinc/42/54/20/945425420.db2.gz HJNNHUBNOCDEAA-UYSNPLJNSA-N 2 2 357.502 3.503 20 0 FHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)[C@@H](C)[NH3+] ZINC000415018345 945501422 /nfs/dbraw/zinc/50/14/22/945501422.db2.gz QTNSVDHXHKDWSO-CHWSQXEVSA-N 2 2 365.319 3.584 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388755717 945542625 /nfs/dbraw/zinc/54/26/25/945542625.db2.gz NBKOMOYCAHPYBB-UYAOXDASSA-N 2 2 352.526 3.998 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388755717 945542636 /nfs/dbraw/zinc/54/26/36/945542636.db2.gz NBKOMOYCAHPYBB-UYAOXDASSA-N 2 2 352.526 3.998 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246837600 945566693 /nfs/dbraw/zinc/56/66/93/945566693.db2.gz ATVNBQKSZVSZMH-IMRHEYAYSA-N 2 2 365.521 3.968 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246837600 945566695 /nfs/dbraw/zinc/56/66/95/945566695.db2.gz ATVNBQKSZVSZMH-IMRHEYAYSA-N 2 2 365.521 3.968 20 0 FHADLP Fc1cncc([C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC2)c1 ZINC000281363044 945613890 /nfs/dbraw/zinc/61/38/90/945613890.db2.gz WFPXILZAVHJHAZ-QFIPXVFZSA-N 2 2 353.485 3.969 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189202 946052064 /nfs/dbraw/zinc/05/20/64/946052064.db2.gz FQGUBUGISKTQBL-QKNQBKEWSA-N 2 2 371.569 3.623 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189202 946052077 /nfs/dbraw/zinc/05/20/77/946052077.db2.gz FQGUBUGISKTQBL-QKNQBKEWSA-N 2 2 371.569 3.623 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219354 946085410 /nfs/dbraw/zinc/08/54/10/946085410.db2.gz YOMNNZVJDRHYMG-SJBKTWHCSA-N 2 2 371.569 3.840 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219354 946085421 /nfs/dbraw/zinc/08/54/21/946085421.db2.gz YOMNNZVJDRHYMG-SJBKTWHCSA-N 2 2 371.569 3.840 20 0 FHADLP CCc1nc(C[NH+]2CCC(CNc3cc(CC)[nH+]c(C)n3)CC2)cs1 ZINC000302043614 946092979 /nfs/dbraw/zinc/09/29/79/946092979.db2.gz JKKJIEGWYGIQDJ-UHFFFAOYSA-N 2 2 359.543 3.690 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000508482081 946268085 /nfs/dbraw/zinc/26/80/85/946268085.db2.gz BSNKWJKTHOXYEI-LPHOPBHVSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000508482081 946268092 /nfs/dbraw/zinc/26/80/92/946268092.db2.gz BSNKWJKTHOXYEI-LPHOPBHVSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482081 946268101 /nfs/dbraw/zinc/26/81/01/946268101.db2.gz BSNKWJKTHOXYEI-LPHOPBHVSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482081 946268109 /nfs/dbraw/zinc/26/81/09/946268109.db2.gz BSNKWJKTHOXYEI-LPHOPBHVSA-N 2 2 362.468 3.633 20 0 FHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000520228643 946291321 /nfs/dbraw/zinc/29/13/21/946291321.db2.gz BGJWKWVNDGFCJJ-FQEVSTJZSA-N 2 2 354.494 3.661 20 0 FHADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302722999 946296710 /nfs/dbraw/zinc/29/67/10/946296710.db2.gz ILWHYMDPXAATDR-CJNGLKHVSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302722999 946296718 /nfs/dbraw/zinc/29/67/18/946296718.db2.gz ILWHYMDPXAATDR-CJNGLKHVSA-N 2 2 360.299 3.918 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@H](C(C)C)[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000520313967 946405926 /nfs/dbraw/zinc/40/59/26/946405926.db2.gz ZYUUYFBQXKDTST-GOSISDBHSA-N 2 2 357.502 3.521 20 0 FHADLP CC[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C(C)(C)C ZINC000428355742 946467341 /nfs/dbraw/zinc/46/73/41/946467341.db2.gz RGMBMJHKWXZDCT-MRXNPFEDSA-N 2 2 366.575 3.728 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441365747 946514017 /nfs/dbraw/zinc/51/40/17/946514017.db2.gz QYJRIIBMWYQMMG-TZIWHRDSSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441365747 946514026 /nfs/dbraw/zinc/51/40/26/946514026.db2.gz QYJRIIBMWYQMMG-TZIWHRDSSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441365747 946514035 /nfs/dbraw/zinc/51/40/35/946514035.db2.gz QYJRIIBMWYQMMG-TZIWHRDSSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441365747 946514047 /nfs/dbraw/zinc/51/40/47/946514047.db2.gz QYJRIIBMWYQMMG-TZIWHRDSSA-N 2 2 359.558 3.618 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cn1 ZINC000475511817 946532135 /nfs/dbraw/zinc/53/21/35/946532135.db2.gz WJBYERSOBFQBFT-CYBMUJFWSA-N 2 2 357.255 3.881 20 0 FHADLP CCOc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OC(F)F ZINC000475549152 946619462 /nfs/dbraw/zinc/61/94/62/946619462.db2.gz DMVIJKIEEQNCAW-UHFFFAOYSA-N 2 2 354.441 3.793 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561372 946662082 /nfs/dbraw/zinc/66/20/82/946662082.db2.gz YFBQAYNGVXRIDZ-XNOWSJKESA-N 3 2 367.581 3.894 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@H]3C2)cc1 ZINC000475561372 946662075 /nfs/dbraw/zinc/66/20/75/946662075.db2.gz YFBQAYNGVXRIDZ-XNOWSJKESA-N 3 2 367.581 3.894 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(OC)c1OC ZINC000473923308 946686504 /nfs/dbraw/zinc/68/65/04/946686504.db2.gz ONGWIOFOIRBUKC-UHFFFAOYSA-N 2 2 362.514 3.599 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475568337 946686530 /nfs/dbraw/zinc/68/65/30/946686530.db2.gz UWZFIVNVHHHBFO-UHFFFAOYSA-N 2 2 356.489 3.735 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC(=O)CC ZINC000840917900 946771284 /nfs/dbraw/zinc/77/12/84/946771284.db2.gz VDUCREZIZHNUCL-LJQANCHMSA-N 2 2 374.525 3.709 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OC(=O)CC ZINC000840917900 946771277 /nfs/dbraw/zinc/77/12/77/946771277.db2.gz VDUCREZIZHNUCL-LJQANCHMSA-N 2 2 374.525 3.709 20 0 FHADLP Cn1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000475285299 946822088 /nfs/dbraw/zinc/82/20/88/946822088.db2.gz YUXCNJITVVCACD-QGZVFWFLSA-N 2 2 368.912 3.838 20 0 FHADLP Cn1c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000475285299 946822099 /nfs/dbraw/zinc/82/20/99/946822099.db2.gz YUXCNJITVVCACD-QGZVFWFLSA-N 2 2 368.912 3.838 20 0 FHADLP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000894987373 946825182 /nfs/dbraw/zinc/82/51/82/946825182.db2.gz ZBPNSBBCZMRRPQ-LBPRGKRZSA-N 2 2 354.376 3.553 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000511937976 947056122 /nfs/dbraw/zinc/05/61/22/947056122.db2.gz BBXXQNVSATZBKF-NVXWUHKLSA-N 2 2 369.893 3.617 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1OC ZINC000192925754 947107505 /nfs/dbraw/zinc/10/75/05/947107505.db2.gz VSXRUKOHZITLRR-QGZVFWFLSA-N 2 2 374.912 3.969 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1OC ZINC000192925754 947107515 /nfs/dbraw/zinc/10/75/15/947107515.db2.gz VSXRUKOHZITLRR-QGZVFWFLSA-N 2 2 374.912 3.969 20 0 FHADLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC001167996412 947172911 /nfs/dbraw/zinc/17/29/11/947172911.db2.gz JTOYKIDORWESGQ-UHFFFAOYSA-N 2 2 373.541 3.725 20 0 FHADLP COc1ccccc1C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301280226 947265678 /nfs/dbraw/zinc/26/56/78/947265678.db2.gz PWMWZXXRLFYHTA-UHFFFAOYSA-N 2 2 351.425 3.705 20 0 FHADLP O=C(CCCn1cc[nH+]c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000662163394 947394881 /nfs/dbraw/zinc/39/48/81/947394881.db2.gz WSINAABYDDFSGZ-UHFFFAOYSA-N 2 2 374.916 3.836 20 0 FHADLP CC(C)(C)c1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)no1 ZINC000662327676 947758562 /nfs/dbraw/zinc/75/85/62/947758562.db2.gz SWFXFPYSTVNMSZ-UHFFFAOYSA-N 2 2 371.529 3.542 20 0 FHADLP CC(C)(C)c1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)no1 ZINC000662327676 947758565 /nfs/dbraw/zinc/75/85/65/947758565.db2.gz SWFXFPYSTVNMSZ-UHFFFAOYSA-N 2 2 371.529 3.542 20 0 FHADLP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000663344098 947807634 /nfs/dbraw/zinc/80/76/34/947807634.db2.gz OCNNEDAYAPAOFU-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1Br ZINC000663344098 947807640 /nfs/dbraw/zinc/80/76/40/947807640.db2.gz OCNNEDAYAPAOFU-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCNc4ccccc43)[nH+]c2)CC1 ZINC000278907059 948067248 /nfs/dbraw/zinc/06/72/48/948067248.db2.gz ZWEZYJCOBCUEMY-NRFANRHFSA-N 2 2 365.525 3.971 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001167827170 948139294 /nfs/dbraw/zinc/13/92/94/948139294.db2.gz UKUWTPJFVACTRC-GFCCVEGCSA-N 2 2 360.365 3.774 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001167827170 948139298 /nfs/dbraw/zinc/13/92/98/948139298.db2.gz UKUWTPJFVACTRC-GFCCVEGCSA-N 2 2 360.365 3.774 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346717 948183097 /nfs/dbraw/zinc/18/30/97/948183097.db2.gz KEWKGQSEYVQTJI-HNNXBMFYSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346717 948183100 /nfs/dbraw/zinc/18/31/00/948183100.db2.gz KEWKGQSEYVQTJI-HNNXBMFYSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2OCc2ccccc2)CCCO1 ZINC000432354339 948201786 /nfs/dbraw/zinc/20/17/86/948201786.db2.gz WBTJMEOJXNYYQK-HXUWFJFHSA-N 2 2 368.521 3.856 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccccc2OCc2ccccc2)CCCO1 ZINC000432354339 948201793 /nfs/dbraw/zinc/20/17/93/948201793.db2.gz WBTJMEOJXNYYQK-HXUWFJFHSA-N 2 2 368.521 3.856 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)s1 ZINC000512026103 948219183 /nfs/dbraw/zinc/21/91/83/948219183.db2.gz QPPHKYVLFXUHCR-UHFFFAOYSA-N 2 2 366.943 3.800 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237186650 948307458 /nfs/dbraw/zinc/30/74/58/948307458.db2.gz PHPQQROWCORHLS-ZWKOTPCHSA-N 2 2 360.933 3.856 20 0 FHADLP COc1ccc2nc(C[NH2+]Cc3ccc(C[NH+](C)C)c(F)c3)sc2c1 ZINC000474005949 948586621 /nfs/dbraw/zinc/58/66/21/948586621.db2.gz MUBNJYDILAHJLZ-UHFFFAOYSA-N 2 2 359.470 3.795 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000512164656 948603715 /nfs/dbraw/zinc/60/37/15/948603715.db2.gz DBTAIWAKIRDKRJ-IBGZPJMESA-N 2 2 370.516 3.955 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000512164656 948603717 /nfs/dbraw/zinc/60/37/17/948603717.db2.gz DBTAIWAKIRDKRJ-IBGZPJMESA-N 2 2 370.516 3.955 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000512164638 948603754 /nfs/dbraw/zinc/60/37/54/948603754.db2.gz CYOXSYFLZGEHBC-HXUWFJFHSA-N 2 2 352.526 3.816 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000512164638 948603756 /nfs/dbraw/zinc/60/37/56/948603756.db2.gz CYOXSYFLZGEHBC-HXUWFJFHSA-N 2 2 352.526 3.816 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(-c3ccccc3)nc2)c2cccc[nH+]2)CC1 ZINC000895110885 948651797 /nfs/dbraw/zinc/65/17/97/948651797.db2.gz BLMJVTYPDPHGOU-MXVIHJGJSA-N 2 2 359.477 3.815 20 0 FHADLP COCc1nc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cs1 ZINC000525787452 948732750 /nfs/dbraw/zinc/73/27/50/948732750.db2.gz KBUGTFBSMDVKMQ-UHFFFAOYSA-N 2 2 359.539 3.634 20 0 FHADLP COCc1nc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cs1 ZINC000525787452 948732753 /nfs/dbraw/zinc/73/27/53/948732753.db2.gz KBUGTFBSMDVKMQ-UHFFFAOYSA-N 2 2 359.539 3.634 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866045 567867691 /nfs/dbraw/zinc/86/76/91/567867691.db2.gz FBIVTQXIHIYGBA-MRXNPFEDSA-N 2 2 354.454 3.726 20 0 FHADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601866045 567867693 /nfs/dbraw/zinc/86/76/93/567867693.db2.gz FBIVTQXIHIYGBA-MRXNPFEDSA-N 2 2 354.454 3.726 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000601929824 567878821 /nfs/dbraw/zinc/87/88/21/567878821.db2.gz CDOYCXNTGBQUNM-HOTGVXAUSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000601929824 567878823 /nfs/dbraw/zinc/87/88/23/567878823.db2.gz CDOYCXNTGBQUNM-HOTGVXAUSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000601954173 567884934 /nfs/dbraw/zinc/88/49/34/567884934.db2.gz YWZJORQDJKAGPW-INIZCTEOSA-N 2 2 371.481 3.688 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)[nH]1 ZINC000602583058 567993964 /nfs/dbraw/zinc/99/39/64/567993964.db2.gz OVEZHGFOIZQQNW-FQEVSTJZSA-N 2 2 366.465 3.536 20 0 FHADLP CCC[N@@H+]1Cc2cccc(NC(=O)Cn3c4ccccc4[nH+]c3CC)c2C1 ZINC000066514879 568064536 /nfs/dbraw/zinc/06/45/36/568064536.db2.gz URPQAEHIHLUYAA-UHFFFAOYSA-N 2 2 362.477 3.963 20 0 FHADLP CCC[N@H+]1Cc2cccc(NC(=O)Cn3c4ccccc4[nH+]c3CC)c2C1 ZINC000066514879 568064537 /nfs/dbraw/zinc/06/45/37/568064537.db2.gz URPQAEHIHLUYAA-UHFFFAOYSA-N 2 2 362.477 3.963 20 0 FHADLP CCc1c[nH+]ccc1NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000603911765 568178721 /nfs/dbraw/zinc/17/87/21/568178721.db2.gz KEZYAKWXMRBZEV-KRWDZBQOSA-N 2 2 367.493 3.571 20 0 FHADLP CCc1c[nH+]ccc1NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000603911765 568178722 /nfs/dbraw/zinc/17/87/22/568178722.db2.gz KEZYAKWXMRBZEV-KRWDZBQOSA-N 2 2 367.493 3.571 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313942 568248959 /nfs/dbraw/zinc/24/89/59/568248959.db2.gz IWMRKTVXEZMMJA-MSOLQXFVSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313942 568248960 /nfs/dbraw/zinc/24/89/60/568248960.db2.gz IWMRKTVXEZMMJA-MSOLQXFVSA-N 2 2 351.450 3.539 20 0 FHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331337 568250934 /nfs/dbraw/zinc/25/09/34/568250934.db2.gz FYMZOYQVFZJKAE-TZIWHRDSSA-N 2 2 363.590 3.514 20 0 FHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331337 568250935 /nfs/dbraw/zinc/25/09/35/568250935.db2.gz FYMZOYQVFZJKAE-TZIWHRDSSA-N 2 2 363.590 3.514 20 0 FHADLP Fc1ccc(Br)c(F)c1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000563135381 568267781 /nfs/dbraw/zinc/26/77/81/568267781.db2.gz LILKQAHJTLWDOY-LBPRGKRZSA-N 2 2 359.258 3.549 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000604414716 568279483 /nfs/dbraw/zinc/27/94/83/568279483.db2.gz OUGLHLRXELGKHM-IYBDPMFKSA-N 2 2 360.473 3.983 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000604414716 568279485 /nfs/dbraw/zinc/27/94/85/568279485.db2.gz OUGLHLRXELGKHM-IYBDPMFKSA-N 2 2 360.473 3.983 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365312759 568488837 /nfs/dbraw/zinc/48/88/37/568488837.db2.gz AAMXUSLLFXWZDG-ABAIWWIYSA-N 2 2 373.353 3.961 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@H+]2C)cn1 ZINC000365312759 568488838 /nfs/dbraw/zinc/48/88/38/568488838.db2.gz AAMXUSLLFXWZDG-ABAIWWIYSA-N 2 2 373.353 3.961 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1 ZINC001164840134 720553200 /nfs/dbraw/zinc/55/32/00/720553200.db2.gz RPOSFYMLGMGLJO-PCCBWWKXSA-N 2 2 367.541 3.779 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1 ZINC001164840134 720553219 /nfs/dbraw/zinc/55/32/19/720553219.db2.gz RPOSFYMLGMGLJO-PCCBWWKXSA-N 2 2 367.541 3.779 20 0 FHADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001164858485 720927302 /nfs/dbraw/zinc/92/73/02/720927302.db2.gz NNEBEMNKGKRHKR-HNNXBMFYSA-N 2 2 356.518 3.526 20 0 FHADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(C(C)C)[nH+]1 ZINC001164858485 720927317 /nfs/dbraw/zinc/92/73/17/720927317.db2.gz NNEBEMNKGKRHKR-HNNXBMFYSA-N 2 2 356.518 3.526 20 0 FHADLP Cc1c[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c(C)c1 ZINC001164910830 721754461 /nfs/dbraw/zinc/75/44/61/721754461.db2.gz SHKDYJRQDSKKQP-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Cc1c[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c(C)c1 ZINC001164910830 721754466 /nfs/dbraw/zinc/75/44/66/721754466.db2.gz SHKDYJRQDSKKQP-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP COC(=O)c1ccc(-c2ccc(N(C)CC3CC[NH+](C)CC3)[nH+]c2C)cc1 ZINC001165043205 721936116 /nfs/dbraw/zinc/93/61/16/721936116.db2.gz QJGQWEQFEQBDFW-UHFFFAOYSA-N 2 2 367.493 3.622 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183005 936331217 /nfs/dbraw/zinc/33/12/17/936331217.db2.gz NSUHNAUBDPPYBW-BBRMVZONSA-N 2 2 362.411 3.929 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183005 936331220 /nfs/dbraw/zinc/33/12/20/936331220.db2.gz NSUHNAUBDPPYBW-BBRMVZONSA-N 2 2 362.411 3.929 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183005 936331224 /nfs/dbraw/zinc/33/12/24/936331224.db2.gz NSUHNAUBDPPYBW-BBRMVZONSA-N 2 2 362.411 3.929 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183005 936331228 /nfs/dbraw/zinc/33/12/28/936331228.db2.gz NSUHNAUBDPPYBW-BBRMVZONSA-N 2 2 362.411 3.929 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000153663489 936367634 /nfs/dbraw/zinc/36/76/34/936367634.db2.gz GOIWIBBNHKHTMP-SXBQZSJRSA-N 2 2 357.454 3.600 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000437142529 945063515 /nfs/dbraw/zinc/06/35/15/945063515.db2.gz GSEHDRBBPWJHOQ-TZIWHRDSSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000437142529 945063525 /nfs/dbraw/zinc/06/35/25/945063525.db2.gz GSEHDRBBPWJHOQ-TZIWHRDSSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000437142529 945063533 /nfs/dbraw/zinc/06/35/33/945063533.db2.gz GSEHDRBBPWJHOQ-TZIWHRDSSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000437142529 945063537 /nfs/dbraw/zinc/06/35/37/945063537.db2.gz GSEHDRBBPWJHOQ-TZIWHRDSSA-N 2 2 350.510 3.766 20 0 FHADLP CC(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000507242165 945067940 /nfs/dbraw/zinc/06/79/40/945067940.db2.gz DOXYXJDNDLJRRI-ZNDGOPKYSA-N 2 2 357.542 3.544 20 0 FHADLP CC(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000507242165 945067951 /nfs/dbraw/zinc/06/79/51/945067951.db2.gz DOXYXJDNDLJRRI-ZNDGOPKYSA-N 2 2 357.542 3.544 20 0 FHADLP O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150771016 937159493 /nfs/dbraw/zinc/15/94/93/937159493.db2.gz OCGMSFUTBHUBLX-HXUWFJFHSA-N 2 2 363.505 3.857 20 0 FHADLP O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150771016 937159494 /nfs/dbraw/zinc/15/94/94/937159494.db2.gz OCGMSFUTBHUBLX-HXUWFJFHSA-N 2 2 363.505 3.857 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153939976 927590753 /nfs/dbraw/zinc/59/07/53/927590753.db2.gz UINLYJRWGLVBSJ-SFHVURJKSA-N 2 2 374.488 3.846 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000154204314 937189708 /nfs/dbraw/zinc/18/97/08/937189708.db2.gz UWRLTEBLAOGSIY-FIKGOQFSSA-N 2 2 369.509 3.660 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000154204314 937189709 /nfs/dbraw/zinc/18/97/09/937189709.db2.gz UWRLTEBLAOGSIY-FIKGOQFSSA-N 2 2 369.509 3.660 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000274795592 928417281 /nfs/dbraw/zinc/41/72/81/928417281.db2.gz NOJNXQBWOFEYEI-UHFFFAOYSA-N 2 2 351.494 3.864 20 0 FHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000547696219 928555659 /nfs/dbraw/zinc/55/56/59/928555659.db2.gz VQWASGVJMAKZHC-GOSISDBHSA-N 2 2 367.522 3.506 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000547696219 928555666 /nfs/dbraw/zinc/55/56/66/928555666.db2.gz VQWASGVJMAKZHC-GOSISDBHSA-N 2 2 367.522 3.506 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC000558409864 928719128 /nfs/dbraw/zinc/71/91/28/928719128.db2.gz YKQLMNXUESOXML-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC000558409864 928719137 /nfs/dbraw/zinc/71/91/37/928719137.db2.gz YKQLMNXUESOXML-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC000558409864 928719145 /nfs/dbraw/zinc/71/91/45/928719145.db2.gz YKQLMNXUESOXML-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC000558409864 928719151 /nfs/dbraw/zinc/71/91/51/928719151.db2.gz YKQLMNXUESOXML-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000179766772 929017572 /nfs/dbraw/zinc/01/75/72/929017572.db2.gz KXUCKBQWUZKYFT-NRFANRHFSA-N 2 2 351.494 3.900 20 0 FHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000179766772 929017577 /nfs/dbraw/zinc/01/75/77/929017577.db2.gz KXUCKBQWUZKYFT-NRFANRHFSA-N 2 2 351.494 3.900 20 0 FHADLP CC[N@H+](C[C@H](O)c1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108865 929320088 /nfs/dbraw/zinc/32/00/88/929320088.db2.gz ASINUGOMLRUQEM-NRFANRHFSA-N 2 2 353.510 3.662 20 0 FHADLP CC[N@@H+](C[C@H](O)c1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108865 929320096 /nfs/dbraw/zinc/32/00/96/929320096.db2.gz ASINUGOMLRUQEM-NRFANRHFSA-N 2 2 353.510 3.662 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286450 937348768 /nfs/dbraw/zinc/34/87/68/937348768.db2.gz ZNGYTEPRZQSNGP-AZUAARDMSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286450 937348772 /nfs/dbraw/zinc/34/87/72/937348772.db2.gz ZNGYTEPRZQSNGP-AZUAARDMSA-N 2 2 352.526 3.782 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000583336625 937356375 /nfs/dbraw/zinc/35/63/75/937356375.db2.gz VUSULDLUNKHBSL-OALUTQOASA-N 2 2 370.493 3.638 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000583336625 937356377 /nfs/dbraw/zinc/35/63/77/937356377.db2.gz VUSULDLUNKHBSL-OALUTQOASA-N 2 2 370.493 3.638 20 0 FHADLP CN1Cc2ccccc2[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692368 929811118 /nfs/dbraw/zinc/81/11/18/929811118.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 2 361.533 3.958 20 0 FHADLP CN1Cc2ccccc2[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692368 929811119 /nfs/dbraw/zinc/81/11/19/929811119.db2.gz PPWDIUCHOHHUDO-JTOYRKQZSA-N 2 2 361.533 3.958 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010284 929938520 /nfs/dbraw/zinc/93/85/20/929938520.db2.gz NTURYOJABIKKJN-MSOLQXFVSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010284 929938524 /nfs/dbraw/zinc/93/85/24/929938524.db2.gz NTURYOJABIKKJN-MSOLQXFVSA-N 2 2 366.509 3.653 20 0 FHADLP O=C(c1cc(F)ccc1F)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000275697488 929940877 /nfs/dbraw/zinc/94/08/77/929940877.db2.gz USTBJUIRMBGTST-UHFFFAOYSA-N 2 2 350.453 3.736 20 0 FHADLP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000261975638 930518290 /nfs/dbraw/zinc/51/82/90/930518290.db2.gz QOISBIFAMFVDKN-SNVBAGLBSA-N 2 2 364.704 3.646 20 0 FHADLP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000261975638 930518295 /nfs/dbraw/zinc/51/82/95/930518295.db2.gz QOISBIFAMFVDKN-SNVBAGLBSA-N 2 2 364.704 3.646 20 0 FHADLP C[C@@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580363736 930573786 /nfs/dbraw/zinc/57/37/86/930573786.db2.gz LPHZISNSTXTHLC-WIYYLYMNSA-N 2 2 361.493 3.791 20 0 FHADLP C[C@@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580363736 930573788 /nfs/dbraw/zinc/57/37/88/930573788.db2.gz LPHZISNSTXTHLC-WIYYLYMNSA-N 2 2 361.493 3.791 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000683927847 930639407 /nfs/dbraw/zinc/63/94/07/930639407.db2.gz OJZQWUWZYTYVSW-UHFFFAOYSA-N 2 2 362.521 3.778 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1nc(Br)cs1 ZINC000834589240 930786342 /nfs/dbraw/zinc/78/63/42/930786342.db2.gz IFJUCOJNOHGMJW-JTQLQIEISA-N 2 2 372.307 3.957 20 0 FHADLP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000580564789 930860931 /nfs/dbraw/zinc/86/09/31/930860931.db2.gz KDKWHBCDKUMGTF-FQEVSTJZSA-N 2 2 373.541 3.932 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)c[nH+]1 ZINC000656253953 930873718 /nfs/dbraw/zinc/87/37/18/930873718.db2.gz MKKKHAMKLVEOIN-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c[nH+]1 ZINC000656253953 930873721 /nfs/dbraw/zinc/87/37/21/930873721.db2.gz MKKKHAMKLVEOIN-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000580646108 930960576 /nfs/dbraw/zinc/96/05/76/930960576.db2.gz BAHFMMNPHJJPTJ-OAHLLOKOSA-N 2 2 355.507 3.636 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc12 ZINC000656280995 931057289 /nfs/dbraw/zinc/05/72/89/931057289.db2.gz PJBYSBXLNPJSDQ-IBGZPJMESA-N 2 2 354.494 3.535 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc12 ZINC000656280995 931057294 /nfs/dbraw/zinc/05/72/94/931057294.db2.gz PJBYSBXLNPJSDQ-IBGZPJMESA-N 2 2 354.494 3.535 20 0 FHADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000030904162 931594335 /nfs/dbraw/zinc/59/43/35/931594335.db2.gz MEXPMASXEQJOQJ-LJQANCHMSA-N 2 2 364.489 3.504 20 0 FHADLP CCc1oc2ccccc2c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000030904162 931594345 /nfs/dbraw/zinc/59/43/45/931594345.db2.gz MEXPMASXEQJOQJ-LJQANCHMSA-N 2 2 364.489 3.504 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000430556628 931827897 /nfs/dbraw/zinc/82/78/97/931827897.db2.gz LEKCWKFPARFXDP-AWEZNQCLSA-N 2 2 352.693 3.548 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560707 931850237 /nfs/dbraw/zinc/85/02/37/931850237.db2.gz HRPIWLIEVRWZEF-RDJZCZTQSA-N 2 2 366.575 3.503 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560707 931850241 /nfs/dbraw/zinc/85/02/41/931850241.db2.gz HRPIWLIEVRWZEF-RDJZCZTQSA-N 2 2 366.575 3.503 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581243 931955201 /nfs/dbraw/zinc/95/52/01/931955201.db2.gz UCLHLPRPIJBJGX-XLIONFOSSA-N 2 2 353.510 3.986 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581243 931955207 /nfs/dbraw/zinc/95/52/07/931955207.db2.gz UCLHLPRPIJBJGX-XLIONFOSSA-N 2 2 353.510 3.986 20 0 FHADLP Cc1ncc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401542 932403281 /nfs/dbraw/zinc/40/32/81/932403281.db2.gz WNVASUPLCLOVSC-KRWDZBQOSA-N 2 2 358.555 3.623 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000276717034 933025520 /nfs/dbraw/zinc/02/55/20/933025520.db2.gz DTQZRORYOFMJHY-AWEZNQCLSA-N 2 2 367.428 3.590 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000090721360 933106046 /nfs/dbraw/zinc/10/60/46/933106046.db2.gz DUBZYVCZMMSBTC-MFKMUULPSA-N 2 2 363.246 3.623 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000090721360 933106048 /nfs/dbraw/zinc/10/60/48/933106048.db2.gz DUBZYVCZMMSBTC-MFKMUULPSA-N 2 2 363.246 3.623 20 0 FHADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000581973402 933148547 /nfs/dbraw/zinc/14/85/47/933148547.db2.gz LUGGIVNZLLQSPC-WIYYLYMNSA-N 2 2 365.452 3.988 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000430825280 933266436 /nfs/dbraw/zinc/26/64/36/933266436.db2.gz RXFVQQZFUDYZGQ-AZUAARDMSA-N 2 2 354.498 3.503 20 0 FHADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000548404406 933457139 /nfs/dbraw/zinc/45/71/39/933457139.db2.gz DFYUYTGVEGIGFF-UHFFFAOYSA-N 2 2 364.440 3.567 20 0 FHADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000548404406 933457144 /nfs/dbraw/zinc/45/71/44/933457144.db2.gz DFYUYTGVEGIGFF-UHFFFAOYSA-N 2 2 364.440 3.567 20 0 FHADLP CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510789635 933740124 /nfs/dbraw/zinc/74/01/24/933740124.db2.gz AJEXFAKMIZNKLL-GOSISDBHSA-N 2 2 369.475 3.862 20 0 FHADLP CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510789635 933740126 /nfs/dbraw/zinc/74/01/26/933740126.db2.gz AJEXFAKMIZNKLL-GOSISDBHSA-N 2 2 369.475 3.862 20 0 FHADLP CCC[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431070408 933778387 /nfs/dbraw/zinc/77/83/87/933778387.db2.gz KXRMOQPXLXDBKH-UHFFFAOYSA-N 2 2 365.521 3.684 20 0 FHADLP CCC[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431070408 933778390 /nfs/dbraw/zinc/77/83/90/933778390.db2.gz KXRMOQPXLXDBKH-UHFFFAOYSA-N 2 2 365.521 3.684 20 0 FHADLP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000431071429 933780371 /nfs/dbraw/zinc/78/03/71/933780371.db2.gz PKOQBEVMNOYXEV-NSHDSACASA-N 2 2 356.392 3.865 20 0 FHADLP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000431071429 933780377 /nfs/dbraw/zinc/78/03/77/933780377.db2.gz PKOQBEVMNOYXEV-NSHDSACASA-N 2 2 356.392 3.865 20 0 FHADLP COc1cc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2ccccc2)cc1OC ZINC000091669957 933870769 /nfs/dbraw/zinc/87/07/69/933870769.db2.gz KBYOYMINPFSJFU-UHFFFAOYSA-N 2 2 354.494 3.897 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@@H]2C=CCCC2)o1 ZINC000510918301 934062279 /nfs/dbraw/zinc/06/22/79/934062279.db2.gz DDYSZVJQKMXVGL-CQSZACIVSA-N 2 2 350.260 3.850 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@@H]2C=CCCC2)o1 ZINC000510918301 934062283 /nfs/dbraw/zinc/06/22/83/934062283.db2.gz DDYSZVJQKMXVGL-CQSZACIVSA-N 2 2 350.260 3.850 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535808509 934415415 /nfs/dbraw/zinc/41/54/15/934415415.db2.gz JJKJWICMLNCOSY-GMAHTHKFSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535808509 934415416 /nfs/dbraw/zinc/41/54/16/934415416.db2.gz JJKJWICMLNCOSY-GMAHTHKFSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535808509 934415419 /nfs/dbraw/zinc/41/54/19/934415419.db2.gz JJKJWICMLNCOSY-GMAHTHKFSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535808509 934415422 /nfs/dbraw/zinc/41/54/22/934415422.db2.gz JJKJWICMLNCOSY-GMAHTHKFSA-N 2 2 366.553 3.773 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000277126731 934538132 /nfs/dbraw/zinc/53/81/32/934538132.db2.gz RRVWAFXCAOKRLM-AWEZNQCLSA-N 2 2 351.520 3.555 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000277126731 934538133 /nfs/dbraw/zinc/53/81/33/934538133.db2.gz RRVWAFXCAOKRLM-AWEZNQCLSA-N 2 2 351.520 3.555 20 0 FHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000448021461 934588163 /nfs/dbraw/zinc/58/81/63/934588163.db2.gz IRNYTTAJSRAJFO-QNWVGRARSA-N 2 2 366.553 3.947 20 0 FHADLP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000448021461 934588169 /nfs/dbraw/zinc/58/81/69/934588169.db2.gz IRNYTTAJSRAJFO-QNWVGRARSA-N 2 2 366.553 3.947 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000090465476 934718205 /nfs/dbraw/zinc/71/82/05/934718205.db2.gz QSJVKUOMIPJVOG-KAGYGMCKSA-N 2 2 369.553 3.563 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000090465476 934718210 /nfs/dbraw/zinc/71/82/10/934718210.db2.gz QSJVKUOMIPJVOG-KAGYGMCKSA-N 2 2 369.553 3.563 20 0 FHADLP Clc1cnc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000472037428 934867269 /nfs/dbraw/zinc/86/72/69/934867269.db2.gz HZWYQOZBOKSVMJ-UHFFFAOYSA-N 2 2 351.903 3.561 20 0 FHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000104276771 935008790 /nfs/dbraw/zinc/00/87/90/935008790.db2.gz JHLGXPMAKHTRGT-LJQANCHMSA-N 2 2 354.498 3.868 20 0 FHADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000104276771 935008794 /nfs/dbraw/zinc/00/87/94/935008794.db2.gz JHLGXPMAKHTRGT-LJQANCHMSA-N 2 2 354.498 3.868 20 0 FHADLP CCOc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000506382145 945081646 /nfs/dbraw/zinc/08/16/46/945081646.db2.gz BZWJTDLWUOSZAC-UHFFFAOYSA-N 2 2 356.457 3.991 20 0 FHADLP CCOc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1OC(F)F ZINC000506382145 945081656 /nfs/dbraw/zinc/08/16/56/945081656.db2.gz BZWJTDLWUOSZAC-UHFFFAOYSA-N 2 2 356.457 3.991 20 0 FHADLP COC(=O)c1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000292997496 945090713 /nfs/dbraw/zinc/09/07/13/945090713.db2.gz SLYXFLQIPGKCOP-UONOGXRCSA-N 2 2 353.422 3.972 20 0 FHADLP CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)ccn1 ZINC000657356697 935340262 /nfs/dbraw/zinc/34/02/62/935340262.db2.gz PKTKHVYMISCHPI-QGZVFWFLSA-N 2 2 365.481 3.766 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657368345 935404545 /nfs/dbraw/zinc/40/45/45/935404545.db2.gz VRQCMENUDKIPFK-SFHVURJKSA-N 3 2 361.493 3.583 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657368345 935404547 /nfs/dbraw/zinc/40/45/47/935404547.db2.gz VRQCMENUDKIPFK-SFHVURJKSA-N 2 2 361.493 3.583 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123959 945101009 /nfs/dbraw/zinc/10/10/09/945101009.db2.gz MIIKSVDEFMWZTO-ICSRJNTNSA-N 2 2 370.468 3.597 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123959 945101016 /nfs/dbraw/zinc/10/10/16/945101016.db2.gz MIIKSVDEFMWZTO-ICSRJNTNSA-N 2 2 370.468 3.597 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388418 935506407 /nfs/dbraw/zinc/50/64/07/935506407.db2.gz KYXVPIRJAXHRPT-GOEBONIOSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388418 935506410 /nfs/dbraw/zinc/50/64/10/935506410.db2.gz KYXVPIRJAXHRPT-GOEBONIOSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc2ccccc21 ZINC000109795861 935521826 /nfs/dbraw/zinc/52/18/26/935521826.db2.gz MOFYFKFPWZSCTC-KRWDZBQOSA-N 2 2 362.477 3.551 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccccc1 ZINC000427135233 945114625 /nfs/dbraw/zinc/11/46/25/945114625.db2.gz IHIHGHHXUOSZFC-LEWJYISDSA-N 2 2 366.505 3.848 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccccc1 ZINC000427135233 945114631 /nfs/dbraw/zinc/11/46/31/945114631.db2.gz IHIHGHHXUOSZFC-LEWJYISDSA-N 2 2 366.505 3.848 20 0 FHADLP Cc1ccc2cc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446744 935781020 /nfs/dbraw/zinc/78/10/20/935781020.db2.gz KRAWDESMAPJTEM-QFIPXVFZSA-N 2 2 363.505 3.857 20 0 FHADLP Cc1ccc2cc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)[nH]c2c1 ZINC000657446744 935781022 /nfs/dbraw/zinc/78/10/22/935781022.db2.gz KRAWDESMAPJTEM-QFIPXVFZSA-N 2 2 363.505 3.857 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657462866 935825388 /nfs/dbraw/zinc/82/53/88/935825388.db2.gz YHVZTXTXBBSAKM-OAQYLSRUSA-N 2 2 352.526 3.683 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657462866 935825392 /nfs/dbraw/zinc/82/53/92/935825392.db2.gz YHVZTXTXBBSAKM-OAQYLSRUSA-N 2 2 352.526 3.683 20 0 FHADLP CC(C)C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccn1 ZINC000152816948 935869073 /nfs/dbraw/zinc/86/90/73/935869073.db2.gz NXJHRIAXYHKYRV-QFIPXVFZSA-N 2 2 352.526 3.861 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1OC ZINC000152886468 935879153 /nfs/dbraw/zinc/87/91/53/935879153.db2.gz HJHBAMMBFQGDFO-OAQYLSRUSA-N 2 2 353.510 3.838 20 0 FHADLP CC1CC[NH+]([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)c2ccccc2)CC1 ZINC000161341938 935894722 /nfs/dbraw/zinc/89/47/22/935894722.db2.gz WQPBPRVIGOUWKA-NRFANRHFSA-N 2 2 358.526 3.735 20 0 FHADLP CC1CC[NH+]([C@H](C[NH2+]C2CCC3(CC2)OCCO3)c2ccccc2)CC1 ZINC000161342006 935894885 /nfs/dbraw/zinc/89/48/85/935894885.db2.gz WQPBPRVIGOUWKA-OAQYLSRUSA-N 2 2 358.526 3.735 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000582704094 935965265 /nfs/dbraw/zinc/96/52/65/935965265.db2.gz JYDFEHHRVIXRKM-BEFAXECRSA-N 2 2 352.482 3.649 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c(C)[nH+]1 ZINC000582704094 935965266 /nfs/dbraw/zinc/96/52/66/935965266.db2.gz JYDFEHHRVIXRKM-BEFAXECRSA-N 2 2 352.482 3.649 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000582727459 935992219 /nfs/dbraw/zinc/99/22/19/935992219.db2.gz LKOAVOYHXFZZFB-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000582727459 935992222 /nfs/dbraw/zinc/99/22/22/935992222.db2.gz LKOAVOYHXFZZFB-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000106214355 945138907 /nfs/dbraw/zinc/13/89/07/945138907.db2.gz GTBRLIBKFRWYMA-UONOGXRCSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000106214355 945138909 /nfs/dbraw/zinc/13/89/09/945138909.db2.gz GTBRLIBKFRWYMA-UONOGXRCSA-N 2 2 357.483 3.955 20 0 FHADLP CO[C@@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COCc1ccccc1 ZINC000657591446 936069496 /nfs/dbraw/zinc/06/94/96/936069496.db2.gz XEJLCMJNYCYNDT-QFIPXVFZSA-N 2 2 365.477 3.584 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000582847399 936212554 /nfs/dbraw/zinc/21/25/54/936212554.db2.gz MZGSVNXYHSDUND-OAQYLSRUSA-N 2 2 372.472 3.712 20 0 FHADLP CCc1noc(C)c1C[N@H+](C)[C@@H]1CCC[NH+](Cc2c(CC)noc2C)CC1 ZINC000156992209 938308836 /nfs/dbraw/zinc/30/88/36/938308836.db2.gz VBUXLVLENNWBAT-QGZVFWFLSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2c(CC)noc2C)CC1 ZINC000156992209 938308837 /nfs/dbraw/zinc/30/88/37/938308837.db2.gz VBUXLVLENNWBAT-QGZVFWFLSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(CC)noc2C)CC1 ZINC000156992209 938308838 /nfs/dbraw/zinc/30/88/38/938308838.db2.gz VBUXLVLENNWBAT-QGZVFWFLSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(CC)noc2C)CC1 ZINC000156992209 938308839 /nfs/dbraw/zinc/30/88/39/938308839.db2.gz VBUXLVLENNWBAT-QGZVFWFLSA-N 2 2 374.529 3.891 20 0 FHADLP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000157026363 938310714 /nfs/dbraw/zinc/31/07/14/938310714.db2.gz SWDFONDAAIUSNT-APWZRJJASA-N 2 2 358.555 3.704 20 0 FHADLP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cs1 ZINC000157026363 938310715 /nfs/dbraw/zinc/31/07/15/938310715.db2.gz SWDFONDAAIUSNT-APWZRJJASA-N 2 2 358.555 3.704 20 0 FHADLP Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000189084087 938435630 /nfs/dbraw/zinc/43/56/30/938435630.db2.gz OKXLZBNFLIWHCG-PGRDOPGGSA-N 2 2 374.488 3.632 20 0 FHADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000583832295 938437474 /nfs/dbraw/zinc/43/74/74/938437474.db2.gz XPNNFWSVUKITFS-INIZCTEOSA-N 2 2 366.440 3.577 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000647315234 938493166 /nfs/dbraw/zinc/49/31/66/938493166.db2.gz UNIDUUSJUBZOMP-OCCSQVGLSA-N 2 2 353.304 3.519 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000647315234 938493168 /nfs/dbraw/zinc/49/31/68/938493168.db2.gz UNIDUUSJUBZOMP-OCCSQVGLSA-N 2 2 353.304 3.519 20 0 FHADLP C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000427986919 938557010 /nfs/dbraw/zinc/55/70/10/938557010.db2.gz IDHWWIMBZXMYTH-AZUAARDMSA-N 2 2 363.505 3.658 20 0 FHADLP C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427986919 938557012 /nfs/dbraw/zinc/55/70/12/938557012.db2.gz IDHWWIMBZXMYTH-AZUAARDMSA-N 2 2 363.505 3.658 20 0 FHADLP C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151722997 938645760 /nfs/dbraw/zinc/64/57/60/938645760.db2.gz FNSVIQSFYNEWIM-GOSISDBHSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(-c2ccncc2)cs1 ZINC000090046278 938868386 /nfs/dbraw/zinc/86/83/86/938868386.db2.gz QJTAICSGHVHBDE-HNNXBMFYSA-N 2 2 365.506 3.920 20 0 FHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1 ZINC000090115608 938876857 /nfs/dbraw/zinc/87/68/57/938876857.db2.gz VSZNJSLGSPHQSZ-UWJYYQICSA-N 2 2 355.526 3.567 20 0 FHADLP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667948 938882047 /nfs/dbraw/zinc/88/20/47/938882047.db2.gz KMRSJCYJEXFQLZ-HRAATJIYSA-N 2 2 351.494 3.893 20 0 FHADLP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090805936 938882790 /nfs/dbraw/zinc/88/27/90/938882790.db2.gz LJFVWNWEZWTPQC-RXVVDRJESA-N 2 2 351.494 3.808 20 0 FHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091587953 938903679 /nfs/dbraw/zinc/90/36/79/938903679.db2.gz XOHUPDLVKWHELQ-MRXNPFEDSA-N 2 2 371.481 3.761 20 0 FHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091587953 938903681 /nfs/dbraw/zinc/90/36/81/938903681.db2.gz XOHUPDLVKWHELQ-MRXNPFEDSA-N 2 2 371.481 3.761 20 0 FHADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471273 938989444 /nfs/dbraw/zinc/98/94/44/938989444.db2.gz YMGUKFRUTHUDBZ-UYAOXDASSA-N 2 2 358.917 3.501 20 0 FHADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471273 938989445 /nfs/dbraw/zinc/98/94/45/938989445.db2.gz YMGUKFRUTHUDBZ-UYAOXDASSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471273 938989446 /nfs/dbraw/zinc/98/94/46/938989446.db2.gz YMGUKFRUTHUDBZ-UYAOXDASSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471273 938989447 /nfs/dbraw/zinc/98/94/47/938989447.db2.gz YMGUKFRUTHUDBZ-UYAOXDASSA-N 2 2 358.917 3.501 20 0 FHADLP Cc1ccc(C[NH+]2CCCC3(CCC[N@@H+](Cc4ccc(C)cn4)C3)C2)nc1 ZINC000685593229 939003128 /nfs/dbraw/zinc/00/31/28/939003128.db2.gz VSDNVMZISUHISF-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Cc1ccc(C[NH+]2CCCC3(CCC[N@H+](Cc4ccc(C)cn4)C3)C2)nc1 ZINC000685593229 939003129 /nfs/dbraw/zinc/00/31/29/939003129.db2.gz VSDNVMZISUHISF-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Fc1cccn2cc(C[NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)nc12 ZINC000685632420 939006527 /nfs/dbraw/zinc/00/65/27/939006527.db2.gz PKQFBBUPFHQFPT-LJQANCHMSA-N 2 2 366.484 3.865 20 0 FHADLP Fc1cccn2cc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000685632420 939006528 /nfs/dbraw/zinc/00/65/28/939006528.db2.gz PKQFBBUPFHQFPT-LJQANCHMSA-N 2 2 366.484 3.865 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770423 939016476 /nfs/dbraw/zinc/01/64/76/939016476.db2.gz VCMCTXDLJRECMP-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770423 939016477 /nfs/dbraw/zinc/01/64/77/939016477.db2.gz VCMCTXDLJRECMP-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770423 939016478 /nfs/dbraw/zinc/01/64/78/939016478.db2.gz VCMCTXDLJRECMP-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770423 939016479 /nfs/dbraw/zinc/01/64/79/939016479.db2.gz VCMCTXDLJRECMP-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785148 939017324 /nfs/dbraw/zinc/01/73/24/939017324.db2.gz ARWKOILNULWORK-FPOVZHCZSA-N 2 2 367.541 3.928 20 0 FHADLP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785148 939017325 /nfs/dbraw/zinc/01/73/25/939017325.db2.gz ARWKOILNULWORK-FPOVZHCZSA-N 2 2 367.541 3.928 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054747 939020849 /nfs/dbraw/zinc/02/08/49/939020849.db2.gz GNQAUZRIUMYOTL-MAUKXSAKSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054747 939020850 /nfs/dbraw/zinc/02/08/50/939020850.db2.gz GNQAUZRIUMYOTL-MAUKXSAKSA-N 2 2 365.949 3.539 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658055383 939020911 /nfs/dbraw/zinc/02/09/11/939020911.db2.gz IELUFLDDFDWHPM-HOCLYGCPSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658055383 939020912 /nfs/dbraw/zinc/02/09/12/939020912.db2.gz IELUFLDDFDWHPM-HOCLYGCPSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cn21 ZINC000516769232 945223322 /nfs/dbraw/zinc/22/33/22/945223322.db2.gz WYCWERRTQNVHKR-FQEVSTJZSA-N 2 2 360.505 3.930 20 0 FHADLP Cc1cccc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cn21 ZINC000516769232 945223331 /nfs/dbraw/zinc/22/33/31/945223331.db2.gz WYCWERRTQNVHKR-FQEVSTJZSA-N 2 2 360.505 3.930 20 0 FHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294145 939100616 /nfs/dbraw/zinc/10/06/16/939100616.db2.gz LXBALVVRIZPMIM-HLLBOEOZSA-N 2 2 359.539 3.631 20 0 FHADLP C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)C1 ZINC000519231043 945236778 /nfs/dbraw/zinc/23/67/78/945236778.db2.gz ZDSMJOQLGLTMNO-FXAWDEMLSA-N 2 2 353.514 3.781 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000375794388 939897805 /nfs/dbraw/zinc/89/78/05/939897805.db2.gz LBKJJYIAKLPDJX-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@H+]2C)cn1 ZINC000375794388 939897816 /nfs/dbraw/zinc/89/78/16/939897816.db2.gz LBKJJYIAKLPDJX-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000584463347 939940030 /nfs/dbraw/zinc/94/00/30/939940030.db2.gz FNKDVXHPXGITQY-UHFFFAOYSA-N 2 2 354.479 3.885 20 0 FHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000375837539 939959900 /nfs/dbraw/zinc/95/99/00/939959900.db2.gz GTVCJWLQXLYDAF-KDOFPFPSSA-N 2 2 357.498 3.615 20 0 FHADLP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414096697 940502215 /nfs/dbraw/zinc/50/22/15/940502215.db2.gz HVADDYUEQBYYOG-BZSNNMDCSA-N 2 2 352.526 3.637 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143518 940668158 /nfs/dbraw/zinc/66/81/58/940668158.db2.gz NORALUTVQMZOJX-ICSRJNTNSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143518 940668163 /nfs/dbraw/zinc/66/81/63/940668163.db2.gz NORALUTVQMZOJX-ICSRJNTNSA-N 2 2 352.526 3.782 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000414397109 941094127 /nfs/dbraw/zinc/09/41/27/941094127.db2.gz OHSGNIOWESXLTE-SFHVURJKSA-N 2 2 356.489 3.628 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000414397109 941094129 /nfs/dbraw/zinc/09/41/29/941094129.db2.gz OHSGNIOWESXLTE-SFHVURJKSA-N 2 2 356.489 3.628 20 0 FHADLP c1cncc(C[N@H+]2CCC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673505 941377240 /nfs/dbraw/zinc/37/72/40/941377240.db2.gz RBGKEJAWNVASDD-KNQAVFIVSA-N 2 2 350.510 3.820 20 0 FHADLP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673505 941377243 /nfs/dbraw/zinc/37/72/43/941377243.db2.gz RBGKEJAWNVASDD-KNQAVFIVSA-N 2 2 350.510 3.820 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000377081631 941510316 /nfs/dbraw/zinc/51/03/16/941510316.db2.gz XCDNAMCQNQDPSZ-LBPRGKRZSA-N 2 2 357.385 3.550 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000549138705 941510762 /nfs/dbraw/zinc/51/07/62/941510762.db2.gz KFAYKOUIBVRFOC-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc1 ZINC000549138705 941510766 /nfs/dbraw/zinc/51/07/66/941510766.db2.gz KFAYKOUIBVRFOC-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc1 ZINC000549138705 941510768 /nfs/dbraw/zinc/51/07/68/941510768.db2.gz KFAYKOUIBVRFOC-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000549138705 941510772 /nfs/dbraw/zinc/51/07/72/941510772.db2.gz KFAYKOUIBVRFOC-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc(OC)c1OCc1ccccc1 ZINC000415053480 941568184 /nfs/dbraw/zinc/56/81/84/941568184.db2.gz JZPGSCQJGKYNSL-FQEVSTJZSA-N 2 2 372.509 3.746 20 0 FHADLP [NH3+]C[C@@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CCCC1 ZINC000415065031 941577670 /nfs/dbraw/zinc/57/76/70/941577670.db2.gz MATSRMDUCTUUNX-GOSISDBHSA-N 2 2 366.431 3.557 20 0 FHADLP Clc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079446 941588430 /nfs/dbraw/zinc/58/84/30/941588430.db2.gz HXCXQZAXUZHADV-FUHWJXTLSA-N 2 2 358.869 3.694 20 0 FHADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415083078 941593493 /nfs/dbraw/zinc/59/34/93/941593493.db2.gz FECJCBIJFAAWTI-ZSZQSSIHSA-N 2 2 358.457 3.987 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312945 941628525 /nfs/dbraw/zinc/62/85/25/941628525.db2.gz WSGBEDBBDXWCKI-NQIIRXRSSA-N 2 2 355.551 3.815 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000178312945 941628530 /nfs/dbraw/zinc/62/85/30/941628530.db2.gz WSGBEDBBDXWCKI-NQIIRXRSSA-N 2 2 355.551 3.815 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231106 941788606 /nfs/dbraw/zinc/78/86/06/941788606.db2.gz BTSXYFXVKUEYKU-CTNGQTDRSA-N 2 2 373.585 3.519 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231106 941788607 /nfs/dbraw/zinc/78/86/07/941788607.db2.gz BTSXYFXVKUEYKU-CTNGQTDRSA-N 2 2 373.585 3.519 20 0 FHADLP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c2c(c1)OCCCO2 ZINC000513404928 941899716 /nfs/dbraw/zinc/89/97/16/941899716.db2.gz BOPSMVBITHORKC-LJQANCHMSA-N 2 2 358.526 3.936 20 0 FHADLP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c2c(c1)OCCCO2 ZINC000513404928 941899718 /nfs/dbraw/zinc/89/97/18/941899718.db2.gz BOPSMVBITHORKC-LJQANCHMSA-N 2 2 358.526 3.936 20 0 FHADLP CC(C)(CCC[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415594320 941933894 /nfs/dbraw/zinc/93/38/94/941933894.db2.gz IODGFJROEDCWSU-UHFFFAOYSA-N 2 2 355.486 3.525 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793494 941995742 /nfs/dbraw/zinc/99/57/42/941995742.db2.gz SJYCKNPHZBDNMK-SGTLLEGYSA-N 2 2 351.466 3.730 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793494 941995744 /nfs/dbraw/zinc/99/57/44/941995744.db2.gz SJYCKNPHZBDNMK-SGTLLEGYSA-N 2 2 351.466 3.730 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012587 942040053 /nfs/dbraw/zinc/04/00/53/942040053.db2.gz QVUMZNRWKCETSP-PABCKOPISA-N 2 2 366.553 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012587 942040058 /nfs/dbraw/zinc/04/00/58/942040058.db2.gz QVUMZNRWKCETSP-PABCKOPISA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012587 942040061 /nfs/dbraw/zinc/04/00/61/942040061.db2.gz QVUMZNRWKCETSP-PABCKOPISA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012587 942040064 /nfs/dbraw/zinc/04/00/64/942040064.db2.gz QVUMZNRWKCETSP-PABCKOPISA-N 2 2 366.553 3.929 20 0 FHADLP COc1ccc([C@H](C)C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377897655 942058431 /nfs/dbraw/zinc/05/84/31/942058431.db2.gz CPVSKBBWZNSCOV-LJQANCHMSA-N 2 2 367.537 3.833 20 0 FHADLP COc1ccc([C@H](C)C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377897655 942058440 /nfs/dbraw/zinc/05/84/40/942058440.db2.gz CPVSKBBWZNSCOV-LJQANCHMSA-N 2 2 367.537 3.833 20 0 FHADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@@H]1C ZINC000280130607 942116763 /nfs/dbraw/zinc/11/67/63/942116763.db2.gz DCVRJHARVSSGFV-WWMYMODYSA-N 2 2 373.541 3.607 20 0 FHADLP Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000420847053 942227640 /nfs/dbraw/zinc/22/76/40/942227640.db2.gz KCSSSIJASVQAQG-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)[nH+]1 ZINC000420847053 942227646 /nfs/dbraw/zinc/22/76/46/942227646.db2.gz KCSSSIJASVQAQG-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)[nH+]1 ZINC000420856242 942231332 /nfs/dbraw/zinc/23/13/32/942231332.db2.gz XTTWWQOZOXUJHJ-UHFFFAOYSA-N 2 2 366.509 3.684 20 0 FHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000420910978 942249656 /nfs/dbraw/zinc/24/96/56/942249656.db2.gz FUTOMYIJGBFLEU-SFHVURJKSA-N 2 2 354.494 3.808 20 0 FHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1cccc(O)c1 ZINC000420910978 942249661 /nfs/dbraw/zinc/24/96/61/942249661.db2.gz FUTOMYIJGBFLEU-SFHVURJKSA-N 2 2 354.494 3.808 20 0 FHADLP Cc1csc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)n1 ZINC000420913182 942251060 /nfs/dbraw/zinc/25/10/60/942251060.db2.gz ALUIQGXCIHYEKX-LJQANCHMSA-N 2 2 357.523 3.525 20 0 FHADLP COc1ccccc1[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420917539 942254083 /nfs/dbraw/zinc/25/40/83/942254083.db2.gz SIXMMYFORDSRHD-OAQYLSRUSA-N 2 2 366.505 3.517 20 0 FHADLP COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420917539 942254085 /nfs/dbraw/zinc/25/40/85/942254085.db2.gz SIXMMYFORDSRHD-OAQYLSRUSA-N 2 2 366.505 3.517 20 0 FHADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000420941312 942264931 /nfs/dbraw/zinc/26/49/31/942264931.db2.gz SRDVKCWSOAAYRM-FQEVSTJZSA-N 2 2 371.550 3.793 20 0 FHADLP Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000420941312 942264935 /nfs/dbraw/zinc/26/49/35/942264935.db2.gz SRDVKCWSOAAYRM-FQEVSTJZSA-N 2 2 371.550 3.793 20 0 FHADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000420942175 942265582 /nfs/dbraw/zinc/26/55/82/942265582.db2.gz UWWDNVRFPBDXSS-HXUWFJFHSA-N 2 2 371.550 3.793 20 0 FHADLP Clc1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420954600 942274251 /nfs/dbraw/zinc/27/42/51/942274251.db2.gz WKRKCWSFZYXSNU-UHFFFAOYSA-N 2 2 356.897 3.951 20 0 FHADLP CC[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc(C)cs1 ZINC000420942964 942279673 /nfs/dbraw/zinc/27/96/73/942279673.db2.gz VZIZYJRQEMJBRC-HXUWFJFHSA-N 2 2 359.539 3.699 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cccc(C(C)C)c3)CC2)CC1 ZINC000421038879 942312405 /nfs/dbraw/zinc/31/24/05/942312405.db2.gz JQANGTMGROSHRT-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cccc(C(C)C)c3)CC2)CC1 ZINC000421038879 942312411 /nfs/dbraw/zinc/31/24/11/942312411.db2.gz JQANGTMGROSHRT-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000414822697 942423992 /nfs/dbraw/zinc/42/39/92/942423992.db2.gz FJAPDNLORZUXPN-FQEVSTJZSA-N 2 2 359.558 3.827 20 0 FHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000502456197 942458294 /nfs/dbraw/zinc/45/82/94/942458294.db2.gz YLMCEHBYAZCRDG-JBACZVJFSA-N 2 2 360.542 3.681 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)nn1C ZINC000421318287 942478899 /nfs/dbraw/zinc/47/88/99/942478899.db2.gz DIVRCNDXEKOBRA-UHFFFAOYSA-N 2 2 360.933 3.726 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nn1C ZINC000421318287 942478904 /nfs/dbraw/zinc/47/89/04/942478904.db2.gz DIVRCNDXEKOBRA-UHFFFAOYSA-N 2 2 360.933 3.726 20 0 FHADLP Brc1cccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414834023 942509172 /nfs/dbraw/zinc/50/91/72/942509172.db2.gz SHQPAJSUDSBNPB-LBPRGKRZSA-N 2 2 366.328 3.662 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414835357 942518601 /nfs/dbraw/zinc/51/86/01/942518601.db2.gz RPMSEUOCXKCXGQ-CJNGLKHVSA-N 2 2 365.399 3.712 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@](C)(C[NH3+])C2CC2)on1 ZINC000420292279 942596836 /nfs/dbraw/zinc/59/68/36/942596836.db2.gz OZEYWSJTIIUPPJ-OAQYLSRUSA-N 2 2 351.450 3.720 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1OC ZINC000420310744 942615276 /nfs/dbraw/zinc/61/52/76/942615276.db2.gz GSNNXCVCACVBCV-MRXNPFEDSA-N 2 2 361.511 3.531 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cs2)cc1OC ZINC000420310744 942615281 /nfs/dbraw/zinc/61/52/81/942615281.db2.gz GSNNXCVCACVBCV-MRXNPFEDSA-N 2 2 361.511 3.531 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@](C)(C[NH3+])C(C)C)on1 ZINC000420319358 942620168 /nfs/dbraw/zinc/62/01/68/942620168.db2.gz PIAKQEBAQOAJBF-NRFANRHFSA-N 2 2 353.466 3.966 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000420354790 942634987 /nfs/dbraw/zinc/63/49/87/942634987.db2.gz DKDNYYMGWTXAJG-KKSFZXQISA-N 2 2 353.510 3.514 20 0 FHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)[NH+]1CCCCCC1 ZINC000425077179 942640095 /nfs/dbraw/zinc/64/00/95/942640095.db2.gz HKDRYYYGZMDGHU-AWEZNQCLSA-N 2 2 364.559 3.503 20 0 FHADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)[NH+]1CCCCCC1 ZINC000425077179 942640098 /nfs/dbraw/zinc/64/00/98/942640098.db2.gz HKDRYYYGZMDGHU-AWEZNQCLSA-N 2 2 364.559 3.503 20 0 FHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000420374423 942644561 /nfs/dbraw/zinc/64/45/61/942644561.db2.gz RYYBENVCTJJPKP-IBGZPJMESA-N 2 2 369.534 3.754 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514083295 942735388 /nfs/dbraw/zinc/73/53/88/942735388.db2.gz MIQVVSJGAPCKJB-ZDUSSCGKSA-N 2 2 359.474 3.932 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000514083295 942735391 /nfs/dbraw/zinc/73/53/91/942735391.db2.gz MIQVVSJGAPCKJB-ZDUSSCGKSA-N 2 2 359.474 3.932 20 0 FHADLP CC[NH+]1CCC([N@H+](Cc2cccc(SC(=O)N(C)C)c2)C2CC2)CC1 ZINC000378443778 942773937 /nfs/dbraw/zinc/77/39/37/942773937.db2.gz UAHNCOQYMVXIPL-UHFFFAOYSA-N 2 2 361.555 3.909 20 0 FHADLP CC[NH+]1CCC([N@@H+](Cc2cccc(SC(=O)N(C)C)c2)C2CC2)CC1 ZINC000378443778 942773941 /nfs/dbraw/zinc/77/39/41/942773941.db2.gz UAHNCOQYMVXIPL-UHFFFAOYSA-N 2 2 361.555 3.909 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000378470603 942806637 /nfs/dbraw/zinc/80/66/37/942806637.db2.gz CJTSOZXGXDXOOK-ZRAXVTTISA-N 2 2 370.541 3.593 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000378470603 942806642 /nfs/dbraw/zinc/80/66/42/942806642.db2.gz CJTSOZXGXDXOOK-ZRAXVTTISA-N 2 2 370.541 3.593 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000514210941 942820491 /nfs/dbraw/zinc/82/04/91/942820491.db2.gz LQNKGYOAWDCPKL-YJBOKZPZSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@@H](C)C1 ZINC000514210941 942820495 /nfs/dbraw/zinc/82/04/95/942820495.db2.gz LQNKGYOAWDCPKL-YJBOKZPZSA-N 2 2 354.922 3.575 20 0 FHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414850562 942867483 /nfs/dbraw/zinc/86/74/83/942867483.db2.gz SOVJEBONGNCVFO-IIBYNOLFSA-N 2 2 369.509 3.825 20 0 FHADLP C[NH+](C)C1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCCC1 ZINC000425143852 942879081 /nfs/dbraw/zinc/87/90/81/942879081.db2.gz BFEVUBBLRZJSDR-LJQANCHMSA-N 2 2 368.525 3.703 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312213696 942919370 /nfs/dbraw/zinc/91/93/70/942919370.db2.gz NAXUHPBDSFOYCH-FUHWJXTLSA-N 2 2 370.497 3.922 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503061388 942944450 /nfs/dbraw/zinc/94/44/50/942944450.db2.gz GAWNZELBALZWFF-TZIWHRDSSA-N 2 2 368.525 3.513 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000503061388 942944451 /nfs/dbraw/zinc/94/44/51/942944451.db2.gz GAWNZELBALZWFF-TZIWHRDSSA-N 2 2 368.525 3.513 20 0 FHADLP Fc1ccc([C@@H]2C[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC000273421338 942952885 /nfs/dbraw/zinc/95/28/85/942952885.db2.gz JJGWUBSQVXSDEF-PMACEKPBSA-N 2 2 355.457 3.699 20 0 FHADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075087 942959979 /nfs/dbraw/zinc/95/99/79/942959979.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 3 2 373.589 3.683 20 0 FHADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075087 942959982 /nfs/dbraw/zinc/95/99/82/942959982.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 3 2 373.589 3.683 20 0 FHADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075087 942959984 /nfs/dbraw/zinc/95/99/84/942959984.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 3 2 373.589 3.683 20 0 FHADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075087 942959990 /nfs/dbraw/zinc/95/99/90/942959990.db2.gz MZWLFLNCPTWWNI-IBGZPJMESA-N 3 2 373.589 3.683 20 0 FHADLP CC(C)[NH+](CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000425199090 942977329 /nfs/dbraw/zinc/97/73/29/942977329.db2.gz YVNVMKNFGJMMNJ-IBGZPJMESA-N 2 2 356.514 3.557 20 0 FHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218119 943002894 /nfs/dbraw/zinc/00/28/94/943002894.db2.gz XMDLWHGOUTYONY-WOJBJXKFSA-N 2 2 368.525 3.558 20 0 FHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218119 943002900 /nfs/dbraw/zinc/00/29/00/943002900.db2.gz XMDLWHGOUTYONY-WOJBJXKFSA-N 2 2 368.525 3.558 20 0 FHADLP CC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079467 943075945 /nfs/dbraw/zinc/07/59/45/943075945.db2.gz KIVYLGNFQUHYNA-QUCCMNQESA-N 2 2 374.573 3.750 20 0 FHADLP CC[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079467 943075953 /nfs/dbraw/zinc/07/59/53/943075953.db2.gz KIVYLGNFQUHYNA-QUCCMNQESA-N 2 2 374.573 3.750 20 0 FHADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000434978920 943082983 /nfs/dbraw/zinc/08/29/83/943082983.db2.gz YEIIWTLOBLQWAX-UHFFFAOYSA-N 2 2 374.488 3.823 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@@H+](CCO)C3CC[NH+](C)CC3)cc2)c1 ZINC000434989808 943090133 /nfs/dbraw/zinc/09/01/33/943090133.db2.gz CMARAMNOZSKUPP-UHFFFAOYSA-N 2 2 352.522 3.859 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@H+](CCO)C3CC[NH+](C)CC3)cc2)c1 ZINC000434989808 943090140 /nfs/dbraw/zinc/09/01/40/943090140.db2.gz CMARAMNOZSKUPP-UHFFFAOYSA-N 2 2 352.522 3.859 20 0 FHADLP Brc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000435061993 943135253 /nfs/dbraw/zinc/13/52/53/943135253.db2.gz WAMXWBUICLNOPY-UHFFFAOYSA-N 2 2 364.287 3.955 20 0 FHADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000514603724 943141683 /nfs/dbraw/zinc/14/16/83/943141683.db2.gz ZWHJOPGYVAVYTN-KRWDZBQOSA-N 2 2 370.884 3.990 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000503381230 943157271 /nfs/dbraw/zinc/15/72/71/943157271.db2.gz XRHCGXAIOYDETH-QGZVFWFLSA-N 2 2 355.457 3.811 20 0 FHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000503381230 943157276 /nfs/dbraw/zinc/15/72/76/943157276.db2.gz XRHCGXAIOYDETH-QGZVFWFLSA-N 2 2 355.457 3.811 20 0 FHADLP CC(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272584101 943181758 /nfs/dbraw/zinc/18/17/58/943181758.db2.gz QVJLMEAEGRAYAB-UHFFFAOYSA-N 2 2 371.447 3.788 20 0 FHADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438000 943184112 /nfs/dbraw/zinc/18/41/12/943184112.db2.gz NWJNGKMSEBUMCI-IBGZPJMESA-N 2 2 374.573 3.828 20 0 FHADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438000 943184117 /nfs/dbraw/zinc/18/41/17/943184117.db2.gz NWJNGKMSEBUMCI-IBGZPJMESA-N 2 2 374.573 3.828 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1C[NH3+] ZINC000422639648 943207758 /nfs/dbraw/zinc/20/77/58/943207758.db2.gz UAUGBCFHQSDGKO-YRGRVCCFSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1C[NH3+] ZINC000422639648 943207764 /nfs/dbraw/zinc/20/77/64/943207764.db2.gz UAUGBCFHQSDGKO-YRGRVCCFSA-N 2 2 368.403 3.561 20 0 FHADLP [NH3+][C@H]1C[C@@H](NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699789 943237948 /nfs/dbraw/zinc/23/79/48/943237948.db2.gz BARWHGMEOKXRLH-LEWJYISDSA-N 2 2 357.448 3.664 20 0 FHADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422829727 943298249 /nfs/dbraw/zinc/29/82/49/943298249.db2.gz HUJIICPNPDOMLV-PWRODBHTSA-N 2 2 352.526 3.526 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422836968 943301185 /nfs/dbraw/zinc/30/11/85/943301185.db2.gz SIDNNZMQUQKMNR-YSZBQJHXSA-N 2 2 365.521 3.604 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422889987 943319728 /nfs/dbraw/zinc/31/97/28/943319728.db2.gz HECBQSXPRGKIAD-KURKYZTESA-N 3 2 352.526 3.823 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000422872611 943321872 /nfs/dbraw/zinc/32/18/72/943321872.db2.gz HUUWKHRGGLGMKT-JRGCBEDISA-N 2 2 352.478 3.787 20 0 FHADLP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000422912723 943328985 /nfs/dbraw/zinc/32/89/85/943328985.db2.gz WYTYCCMVWNQHJI-GBESFXJTSA-N 2 2 369.534 3.536 20 0 FHADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422917844 943341017 /nfs/dbraw/zinc/34/10/17/943341017.db2.gz FUIGHJZDVJGDNU-KNQAVFIVSA-N 2 2 364.493 3.740 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422944844 943345041 /nfs/dbraw/zinc/34/50/41/943345041.db2.gz MQRROFRHBXKFIB-SHDPVSIFSA-N 2 2 362.517 3.640 20 0 FHADLP c1ccc(OCc2cccnc2)c(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000435375616 943356746 /nfs/dbraw/zinc/35/67/46/943356746.db2.gz VUOFZOIYMYNRPY-UHFFFAOYSA-N 2 2 351.494 3.625 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000514898016 943369877 /nfs/dbraw/zinc/36/98/77/943369877.db2.gz LKPVJDQNVOPTRQ-MRXNPFEDSA-N 2 2 352.486 3.738 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423066990 943380562 /nfs/dbraw/zinc/38/05/62/943380562.db2.gz YKVVERQXFXXRRL-VGSWGCGISA-N 3 2 352.526 3.554 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423066990 943380568 /nfs/dbraw/zinc/38/05/68/943380568.db2.gz YKVVERQXFXXRRL-VGSWGCGISA-N 3 2 352.526 3.554 20 0 FHADLP CCCc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434520 943397516 /nfs/dbraw/zinc/39/75/16/943397516.db2.gz SNCRKKIWJWQXEN-FQEVSTJZSA-N 2 2 352.526 3.517 20 0 FHADLP CCCc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434520 943397523 /nfs/dbraw/zinc/39/75/23/943397523.db2.gz SNCRKKIWJWQXEN-FQEVSTJZSA-N 2 2 352.526 3.517 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000423107367 943402529 /nfs/dbraw/zinc/40/25/29/943402529.db2.gz PUDILKVHIQNGSZ-XWIAVFTESA-N 2 2 356.432 3.903 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423856 943403425 /nfs/dbraw/zinc/40/34/25/943403425.db2.gz WPBSNFCENCPFDK-GOSISDBHSA-N 2 2 358.917 3.701 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435423856 943403430 /nfs/dbraw/zinc/40/34/30/943403430.db2.gz WPBSNFCENCPFDK-GOSISDBHSA-N 2 2 358.917 3.701 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423145783 943407214 /nfs/dbraw/zinc/40/72/14/943407214.db2.gz MKPDEOHHANNFAP-SCWSEQNSSA-N 2 2 354.519 3.967 20 0 FHADLP COc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435429755 943408037 /nfs/dbraw/zinc/40/80/37/943408037.db2.gz ZFAVZLPCXJMXQA-GOSISDBHSA-N 2 2 357.523 3.604 20 0 FHADLP COc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435429755 943408042 /nfs/dbraw/zinc/40/80/42/943408042.db2.gz ZFAVZLPCXJMXQA-GOSISDBHSA-N 2 2 357.523 3.604 20 0 FHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](c1nccn1C)C1CC1 ZINC000638106001 943412078 /nfs/dbraw/zinc/41/20/78/943412078.db2.gz YHEDNVYMKNAQFL-HXUWFJFHSA-N 2 2 353.514 3.505 20 0 FHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](c1nccn1C)C1CC1 ZINC000638106001 943412081 /nfs/dbraw/zinc/41/20/81/943412081.db2.gz YHEDNVYMKNAQFL-HXUWFJFHSA-N 2 2 353.514 3.505 20 0 FHADLP Clc1ccc(Br)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414869616 943440996 /nfs/dbraw/zinc/44/09/96/943440996.db2.gz BMPSJQMTYGWXPY-UHFFFAOYSA-N 2 2 368.706 3.767 20 0 FHADLP COc1c(C)cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1Cl ZINC000423236710 943443794 /nfs/dbraw/zinc/44/37/94/943443794.db2.gz SGLWQWRIJOYFSZ-CQSZACIVSA-N 2 2 360.889 3.635 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC(F)(F)F ZINC000423239694 943444352 /nfs/dbraw/zinc/44/43/52/943444352.db2.gz WJPSBXRMCHKQEJ-ZDUSSCGKSA-N 2 2 366.387 3.563 20 0 FHADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000423238478 943444597 /nfs/dbraw/zinc/44/45/97/943444597.db2.gz VDDNCFOOOZHFPR-QGZVFWFLSA-N 2 2 362.424 3.656 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000423223547 943449715 /nfs/dbraw/zinc/44/97/15/943449715.db2.gz AKHBTYPVICEHFJ-CYBMUJFWSA-N 2 2 350.388 3.683 20 0 FHADLP COc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCCS2 ZINC000423243217 943456832 /nfs/dbraw/zinc/45/68/32/943456832.db2.gz ZRAIEHZTNPHTLK-SFHVURJKSA-N 2 2 370.522 3.539 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423248684 943458902 /nfs/dbraw/zinc/45/89/02/943458902.db2.gz RYJCDVCLRQMZSW-OXJNMPFZSA-N 2 2 354.498 3.911 20 0 FHADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000423266937 943466578 /nfs/dbraw/zinc/46/65/78/943466578.db2.gz DLECOICOPJUFKT-JLTOFOAXSA-N 2 2 362.901 3.892 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CCC[NH2+]1 ZINC000423424384 943506329 /nfs/dbraw/zinc/50/63/29/943506329.db2.gz LQEXVLCRVWJCST-YWZLYKJASA-N 2 2 359.539 3.846 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CCC[NH2+]1 ZINC000423426110 943506908 /nfs/dbraw/zinc/50/69/08/943506908.db2.gz MRQPEIZAJWWHFN-SJCJKPOMSA-N 2 2 351.541 3.599 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281446 943508017 /nfs/dbraw/zinc/50/80/17/943508017.db2.gz UUCVOCIODGNVCA-WMLDXEAASA-N 2 2 352.404 3.601 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281446 943508018 /nfs/dbraw/zinc/50/80/18/943508018.db2.gz UUCVOCIODGNVCA-WMLDXEAASA-N 2 2 352.404 3.601 20 0 FHADLP COC[C@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CCC[NH2+]1 ZINC000423415993 943511545 /nfs/dbraw/zinc/51/15/45/943511545.db2.gz FKGLWBSLYWQQEG-OXQOHEQNSA-N 2 2 357.523 3.546 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693283 943560940 /nfs/dbraw/zinc/56/09/40/943560940.db2.gz IMKKPMXUZCBLPG-SQNIBIBYSA-N 2 2 363.571 3.683 20 0 FHADLP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693283 943560943 /nfs/dbraw/zinc/56/09/43/943560943.db2.gz IMKKPMXUZCBLPG-SQNIBIBYSA-N 2 2 363.571 3.683 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000435730253 943573618 /nfs/dbraw/zinc/57/36/18/943573618.db2.gz DCWYRZAPWCLQQY-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H]1CC[NH2+]C1 ZINC000435730253 943573631 /nfs/dbraw/zinc/57/36/31/943573631.db2.gz DCWYRZAPWCLQQY-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000515226432 943581427 /nfs/dbraw/zinc/58/14/27/943581427.db2.gz XLSYCEQYASSUDF-NRFANRHFSA-N 2 2 350.466 3.641 20 0 FHADLP CC(C)n1c[nH+]cc1CNc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000424160593 943766484 /nfs/dbraw/zinc/76/64/84/943766484.db2.gz XGNZAXUFBRGTTR-UHFFFAOYSA-N 2 2 369.513 3.891 20 0 FHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000504928431 943925348 /nfs/dbraw/zinc/92/53/48/943925348.db2.gz AWFUKOIOLFJBPW-NQSCKRDGSA-N 2 2 350.506 3.552 20 0 FHADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000504928431 943925354 /nfs/dbraw/zinc/92/53/54/943925354.db2.gz AWFUKOIOLFJBPW-NQSCKRDGSA-N 2 2 350.506 3.552 20 0 FHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790444 943938614 /nfs/dbraw/zinc/93/86/14/943938614.db2.gz ZVCSDUJCYOUDSX-CQSZACIVSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790444 943938619 /nfs/dbraw/zinc/93/86/19/943938619.db2.gz ZVCSDUJCYOUDSX-CQSZACIVSA-N 2 2 362.823 3.546 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCOC4(CCCCC4)C3)[nH+]c2)CC1 ZINC000894342215 944099636 /nfs/dbraw/zinc/09/96/36/944099636.db2.gz KGEIAXJVCAOBBY-GOSISDBHSA-N 2 2 372.557 3.906 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934069 944216859 /nfs/dbraw/zinc/21/68/59/944216859.db2.gz YZLPZEXXTWOTMA-HRAATJIYSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934069 944216865 /nfs/dbraw/zinc/21/68/65/944216865.db2.gz YZLPZEXXTWOTMA-HRAATJIYSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425934069 944216872 /nfs/dbraw/zinc/21/68/72/944216872.db2.gz YZLPZEXXTWOTMA-HRAATJIYSA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425934069 944216880 /nfs/dbraw/zinc/21/68/80/944216880.db2.gz YZLPZEXXTWOTMA-HRAATJIYSA-N 2 2 360.448 3.595 20 0 FHADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@H+](CCCC(=O)OCC)C2 ZINC001280157944 944240722 /nfs/dbraw/zinc/24/07/22/944240722.db2.gz MFVGKIKPPDNUNH-LJQANCHMSA-N 2 2 352.563 3.944 20 0 FHADLP CCCC[C@@H](CC)C[NH+]1CC2(C1)CCC[N@@H+](CCCC(=O)OCC)C2 ZINC001280157944 944240731 /nfs/dbraw/zinc/24/07/31/944240731.db2.gz MFVGKIKPPDNUNH-LJQANCHMSA-N 2 2 352.563 3.944 20 0 FHADLP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000414977303 944284115 /nfs/dbraw/zinc/28/41/15/944284115.db2.gz JNQJPZZTHKFDKS-OAHLLOKOSA-N 2 2 365.319 3.585 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]Cc3cccc4c3NCCC4)C2)CC1 ZINC000894603325 944297967 /nfs/dbraw/zinc/29/79/67/944297967.db2.gz WJOIHFUAKCZZQV-UHFFFAOYSA-N 2 2 367.459 3.940 20 0 FHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000364331562 944362181 /nfs/dbraw/zinc/36/21/81/944362181.db2.gz ZQMBSYOITMPACB-IBGZPJMESA-N 2 2 366.509 3.753 20 0 FHADLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000364331562 944362191 /nfs/dbraw/zinc/36/21/91/944362191.db2.gz ZQMBSYOITMPACB-IBGZPJMESA-N 2 2 366.509 3.753 20 0 FHADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835870 944378741 /nfs/dbraw/zinc/37/87/41/944378741.db2.gz MLYGZOYPMFIMKY-QFIPXVFZSA-N 3 2 366.553 3.896 20 0 FHADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835870 944378749 /nfs/dbraw/zinc/37/87/49/944378749.db2.gz MLYGZOYPMFIMKY-QFIPXVFZSA-N 3 2 366.553 3.896 20 0 FHADLP Brc1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)s1 ZINC000439146901 944379334 /nfs/dbraw/zinc/37/93/34/944379334.db2.gz OJCFRZWGSIYNPS-IAQYHMDHSA-N 2 2 352.301 3.763 20 0 FHADLP c1cn(-c2ccc(C[NH+]3CCN(c4cc[nH+]c5ccccc54)CC3)cc2)c[nH+]1 ZINC000516170967 944554315 /nfs/dbraw/zinc/55/43/15/944554315.db2.gz AEICCKGAWZVRNF-UHFFFAOYSA-N 3 2 369.472 3.743 20 0 FHADLP O[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)c(F)c1 ZINC000759869258 944649201 /nfs/dbraw/zinc/64/92/01/944649201.db2.gz SBXUUWLTRPTEIZ-LJQANCHMSA-N 2 2 365.880 3.901 20 0 FHADLP Fc1c(Br)ccc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)c1F ZINC001222457465 944722702 /nfs/dbraw/zinc/72/27/02/944722702.db2.gz LBIRGDPYBGZLTG-UHFFFAOYSA-N 2 2 359.258 3.693 20 0 FHADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390704582 944751797 /nfs/dbraw/zinc/75/17/97/944751797.db2.gz URZWCKKEFPYLNJ-XMSQKQJNSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390704582 944751803 /nfs/dbraw/zinc/75/18/03/944751803.db2.gz URZWCKKEFPYLNJ-XMSQKQJNSA-N 2 2 354.469 3.694 20 0 FHADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)c[nH+]1 ZINC000516348307 944754209 /nfs/dbraw/zinc/75/42/09/944754209.db2.gz SGTKIQBQGSYOPD-BDTNDASRSA-N 2 2 373.504 3.649 20 0 FHADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)c[nH+]1 ZINC000516348307 944754211 /nfs/dbraw/zinc/75/42/11/944754211.db2.gz SGTKIQBQGSYOPD-BDTNDASRSA-N 2 2 373.504 3.649 20 0 FHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1 ZINC000364458349 944761120 /nfs/dbraw/zinc/76/11/20/944761120.db2.gz GUMYBMGCIYYWQK-MGPUTAFESA-N 2 2 359.539 3.503 20 0 FHADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1 ZINC000364458349 944761123 /nfs/dbraw/zinc/76/11/23/944761123.db2.gz GUMYBMGCIYYWQK-MGPUTAFESA-N 2 2 359.539 3.503 20 0 FHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390712224 944765133 /nfs/dbraw/zinc/76/51/33/944765133.db2.gz XCQLGTFUMQFKGN-CTNGQTDRSA-N 2 2 368.521 3.945 20 0 FHADLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390712224 944765137 /nfs/dbraw/zinc/76/51/37/944765137.db2.gz XCQLGTFUMQFKGN-CTNGQTDRSA-N 2 2 368.521 3.945 20 0 FHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390713286 944768085 /nfs/dbraw/zinc/76/80/85/944768085.db2.gz XKHWKRAPDHLAJT-UNMCSNQZSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390713286 944768092 /nfs/dbraw/zinc/76/80/92/944768092.db2.gz XKHWKRAPDHLAJT-UNMCSNQZSA-N 2 2 354.469 3.694 20 0 FHADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000426817284 944838090 /nfs/dbraw/zinc/83/80/90/944838090.db2.gz BKCPYOXWWQHRGS-CALCHBBNSA-N 2 2 363.546 3.683 20 0 FHADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000426817284 944838099 /nfs/dbraw/zinc/83/80/99/944838099.db2.gz BKCPYOXWWQHRGS-CALCHBBNSA-N 2 2 363.546 3.683 20 0 FHADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441670 944863665 /nfs/dbraw/zinc/86/36/65/944863665.db2.gz ACCLMNPLEAAIBJ-CTNGQTDRSA-N 2 2 352.526 3.763 20 0 FHADLP Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441670 944863668 /nfs/dbraw/zinc/86/36/68/944863668.db2.gz ACCLMNPLEAAIBJ-CTNGQTDRSA-N 2 2 352.526 3.763 20 0 FHADLP COc1sc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1Br ZINC000506324570 944938840 /nfs/dbraw/zinc/93/88/40/944938840.db2.gz HXSKVWUCCVDGOY-UHFFFAOYSA-N 2 2 361.349 3.824 20 0 FHADLP COc1sc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Br ZINC000506324570 944938843 /nfs/dbraw/zinc/93/88/43/944938843.db2.gz HXSKVWUCCVDGOY-UHFFFAOYSA-N 2 2 361.349 3.824 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000414944122 944971729 /nfs/dbraw/zinc/97/17/29/944971729.db2.gz OWZYFKKBDODHSH-JWOSDPRPSA-N 2 2 354.494 3.797 20 0 FHADLP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016447 /nfs/dbraw/zinc/01/64/47/945016447.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016457 /nfs/dbraw/zinc/01/64/57/945016457.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016468 /nfs/dbraw/zinc/01/64/68/945016468.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000187474334 945016477 /nfs/dbraw/zinc/01/64/77/945016477.db2.gz LXHBUAJUKKPJGY-KNQAVFIVSA-N 2 2 368.500 3.519 20 0 FHADLP Clc1ccc(C[NH+]2CCC(NC[C@@H]3[NH2+]CCc4ccccc43)CC2)cc1 ZINC000414955063 945036834 /nfs/dbraw/zinc/03/68/34/945036834.db2.gz MLYXKZCUAQEXKH-QFIPXVFZSA-N 2 2 369.940 3.781 20 0 FHADLP C(=C/c1ccccc1)\CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167984741 945045608 /nfs/dbraw/zinc/04/56/08/945045608.db2.gz QLDHNUYODXGMTO-VJAZVCSNSA-N 2 2 365.565 3.723 20 0 FHADLP C(=C/c1ccccc1)\CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167984741 945045614 /nfs/dbraw/zinc/04/56/14/945045614.db2.gz QLDHNUYODXGMTO-VJAZVCSNSA-N 2 2 365.565 3.723 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000519789873 945743683 /nfs/dbraw/zinc/74/36/83/945743683.db2.gz HEVUCTLRDBGCEJ-QUCCMNQESA-N 2 2 352.526 3.563 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000519789873 945743689 /nfs/dbraw/zinc/74/36/89/945743689.db2.gz HEVUCTLRDBGCEJ-QUCCMNQESA-N 2 2 352.526 3.563 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894475662 945750020 /nfs/dbraw/zinc/75/00/20/945750020.db2.gz HIQGZTFBXFIQSZ-UHFFFAOYSA-N 2 2 350.488 3.814 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1sccc1NC(=O)OC(C)(C)C ZINC000894475662 945750022 /nfs/dbraw/zinc/75/00/22/945750022.db2.gz HIQGZTFBXFIQSZ-UHFFFAOYSA-N 2 2 350.488 3.814 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000651729001 945789219 /nfs/dbraw/zinc/78/92/19/945789219.db2.gz RUIJZSAIOHFFFZ-VQIMIIECSA-N 2 2 372.484 3.986 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1F ZINC000651729001 945789227 /nfs/dbraw/zinc/78/92/27/945789227.db2.gz RUIJZSAIOHFFFZ-VQIMIIECSA-N 2 2 372.484 3.986 20 0 FHADLP COc1cccc2c(N3CC[NH+](Cc4cccc(O)c4)CC3)cc(C)[nH+]c12 ZINC000301640120 945888775 /nfs/dbraw/zinc/88/87/75/945888775.db2.gz BBSAFYHGTOGIEB-UHFFFAOYSA-N 2 2 363.461 3.580 20 0 FHADLP CCc1nc(C[NH+]2CCC(CNc3nc(C)[nH+]c(C)c3C)CC2)cs1 ZINC000301669936 945904502 /nfs/dbraw/zinc/90/45/02/945904502.db2.gz DZTNDBWHYCBKEG-UHFFFAOYSA-N 2 2 359.543 3.745 20 0 FHADLP COCCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1 ZINC000281913089 945927671 /nfs/dbraw/zinc/92/76/71/945927671.db2.gz IXIPVAPFBVKUTH-HXUWFJFHSA-N 2 2 368.456 3.972 20 0 FHADLP COC[C@@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651791060 945928643 /nfs/dbraw/zinc/92/86/43/945928643.db2.gz WTCUGLMMKASPMJ-HWOWSKLDSA-N 2 2 350.469 3.833 20 0 FHADLP COC(=O)c1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737861 945980292 /nfs/dbraw/zinc/98/02/92/945980292.db2.gz HGLFQRWCZNRVCN-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737861 945980301 /nfs/dbraw/zinc/98/03/01/945980301.db2.gz HGLFQRWCZNRVCN-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737861 945980310 /nfs/dbraw/zinc/98/03/10/945980310.db2.gz HGLFQRWCZNRVCN-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737861 945980317 /nfs/dbraw/zinc/98/03/17/945980317.db2.gz HGLFQRWCZNRVCN-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP C[NH+](C)C1CC[NH+](CCNc2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000301979757 946063274 /nfs/dbraw/zinc/06/32/74/946063274.db2.gz AKWCCNBSECUQFT-UHFFFAOYSA-N 2 2 367.324 3.980 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209157 946069890 /nfs/dbraw/zinc/06/98/90/946069890.db2.gz BOMNZGXHNKQSNG-IFMALSPDSA-N 2 2 371.569 3.620 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209157 946069905 /nfs/dbraw/zinc/06/99/05/946069905.db2.gz BOMNZGXHNKQSNG-IFMALSPDSA-N 2 2 371.569 3.620 20 0 FHADLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000520207923 946269064 /nfs/dbraw/zinc/26/90/64/946269064.db2.gz RVQMQVGBATZHMB-QGZVFWFLSA-N 2 2 351.450 3.649 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302870838 946360561 /nfs/dbraw/zinc/36/05/61/946360561.db2.gz BLLNYRMWHPIGOA-PKOBYXMFSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000302870838 946360574 /nfs/dbraw/zinc/36/05/74/946360574.db2.gz BLLNYRMWHPIGOA-PKOBYXMFSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000302870838 946360587 /nfs/dbraw/zinc/36/05/87/946360587.db2.gz BLLNYRMWHPIGOA-PKOBYXMFSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000302870838 946360599 /nfs/dbraw/zinc/36/05/99/946360599.db2.gz BLLNYRMWHPIGOA-PKOBYXMFSA-N 2 2 351.498 3.542 20 0 FHADLP Cc1ccc2[nH]c(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc2c1C ZINC000473131953 946408368 /nfs/dbraw/zinc/40/83/68/946408368.db2.gz JRLVUSFOPZTQBD-OALUTQOASA-N 2 2 368.569 3.775 20 0 FHADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000104276776 946428257 /nfs/dbraw/zinc/42/82/57/946428257.db2.gz JHLGXPMAKHTRGT-IBGZPJMESA-N 2 2 354.498 3.868 20 0 FHADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000104276776 946428261 /nfs/dbraw/zinc/42/82/61/946428261.db2.gz JHLGXPMAKHTRGT-IBGZPJMESA-N 2 2 354.498 3.868 20 0 FHADLP COc1c(Br)cccc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125376 946445931 /nfs/dbraw/zinc/44/59/31/946445931.db2.gz RDOWMCWNNCGJFH-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP COc1c(Br)cccc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475125376 946445934 /nfs/dbraw/zinc/44/59/34/946445934.db2.gz RDOWMCWNNCGJFH-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000441362320 946472515 /nfs/dbraw/zinc/47/25/15/946472515.db2.gz HKMCZOGIPSFFHX-NQIIRXRSSA-N 2 2 362.477 3.858 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441366369 946513964 /nfs/dbraw/zinc/51/39/64/946513964.db2.gz SZRAVORQUNLWHW-CMKODMSKSA-N 2 2 356.514 3.524 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441365745 946514612 /nfs/dbraw/zinc/51/46/12/946514612.db2.gz QYJRIIBMWYQMMG-FPOVZHCZSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441365745 946514617 /nfs/dbraw/zinc/51/46/17/946514617.db2.gz QYJRIIBMWYQMMG-FPOVZHCZSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441365745 946514622 /nfs/dbraw/zinc/51/46/22/946514622.db2.gz QYJRIIBMWYQMMG-FPOVZHCZSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441365745 946514626 /nfs/dbraw/zinc/51/46/26/946514626.db2.gz QYJRIIBMWYQMMG-FPOVZHCZSA-N 2 2 359.558 3.618 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417329485 946579237 /nfs/dbraw/zinc/57/92/37/946579237.db2.gz UCOKIGQHUVNHNW-FFZOFVMBSA-N 2 2 356.535 3.862 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000473923553 946709633 /nfs/dbraw/zinc/70/96/33/946709633.db2.gz PBNWZDPUAWVYEF-CQSZACIVSA-N 2 2 368.506 3.795 20 0 FHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000523138157 946890758 /nfs/dbraw/zinc/89/07/58/946890758.db2.gz GCYQFEDETNZZFO-IBGZPJMESA-N 2 2 373.585 3.788 20 0 FHADLP CC(C)c1ccc([C@@H](C)CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000523138157 946890747 /nfs/dbraw/zinc/89/07/47/946890747.db2.gz GCYQFEDETNZZFO-IBGZPJMESA-N 2 2 373.585 3.788 20 0 FHADLP Cc1[nH+]c(N)ccc1CNc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001167784955 946901044 /nfs/dbraw/zinc/90/10/44/946901044.db2.gz FZFMOPVKNALFSD-UHFFFAOYSA-N 2 2 362.412 3.516 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@@H]1CC[NH3+] ZINC000652353978 946901456 /nfs/dbraw/zinc/90/14/56/946901456.db2.gz IRJZEUUQBMRONF-SWLSCSKDSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@@H]1CC[NH3+] ZINC000652353978 946901464 /nfs/dbraw/zinc/90/14/64/946901464.db2.gz IRJZEUUQBMRONF-SWLSCSKDSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@H]1C[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCO1 ZINC001168080401 946911481 /nfs/dbraw/zinc/91/14/81/946911481.db2.gz UYQPKJJBDHXJDI-PGRDOPGGSA-N 2 2 350.506 3.865 20 0 FHADLP CCC[N@@H+](CCC[NH+]1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444578013 947008121 /nfs/dbraw/zinc/00/81/21/947008121.db2.gz ZTTXQBAIQTYCCI-UHFFFAOYSA-N 3 2 373.589 3.650 20 0 FHADLP CCC[N@H+](CCC[NH+]1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000444578013 947008112 /nfs/dbraw/zinc/00/81/12/947008112.db2.gz ZTTXQBAIQTYCCI-UHFFFAOYSA-N 3 2 373.589 3.650 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692747 947223216 /nfs/dbraw/zinc/22/32/16/947223216.db2.gz VYRZDZDQJLTVNL-XZOQPEGZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692747 947223226 /nfs/dbraw/zinc/22/32/26/947223226.db2.gz VYRZDZDQJLTVNL-XZOQPEGZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692747 947223232 /nfs/dbraw/zinc/22/32/32/947223232.db2.gz VYRZDZDQJLTVNL-XZOQPEGZSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692747 947223238 /nfs/dbraw/zinc/22/32/38/947223238.db2.gz VYRZDZDQJLTVNL-XZOQPEGZSA-N 2 2 372.553 3.701 20 0 FHADLP C[C@H](Nc1cc[nH+]c2cc(Br)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301323569 947286311 /nfs/dbraw/zinc/28/63/11/947286311.db2.gz WDTROOHKIRBNGJ-STQMWFEESA-N 2 2 364.287 3.518 20 0 FHADLP CC[NH+](CC)[C@@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000523719989 947533141 /nfs/dbraw/zinc/53/31/41/947533141.db2.gz PRWWVUGRTUAOGF-OAQYLSRUSA-N 2 2 362.477 3.572 20 0 FHADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000520456814 947538405 /nfs/dbraw/zinc/53/84/05/947538405.db2.gz XSFUFLHTGZQHNE-UHFFFAOYSA-N 2 2 366.509 3.743 20 0 FHADLP Cc1sc2nc([C@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)[nH]c(=O)c2c1C ZINC000662290257 947712712 /nfs/dbraw/zinc/71/27/12/947712712.db2.gz BSHNCQMEMZJVAR-XJKSGUPXSA-N 2 2 374.554 3.786 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189438626 947718729 /nfs/dbraw/zinc/71/87/29/947718729.db2.gz DRMXWBUQNLCOOF-SJORKVTESA-N 2 2 356.489 3.754 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189438626 947718732 /nfs/dbraw/zinc/71/87/32/947718732.db2.gz DRMXWBUQNLCOOF-SJORKVTESA-N 2 2 356.489 3.754 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001167821041 948073978 /nfs/dbraw/zinc/07/39/78/948073978.db2.gz ACHQNDHMXYRRCE-QZTJIDSGSA-N 2 2 362.562 3.697 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001167821041 948073985 /nfs/dbraw/zinc/07/39/85/948073985.db2.gz ACHQNDHMXYRRCE-QZTJIDSGSA-N 2 2 362.562 3.697 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCCO1 ZINC000432346839 948184883 /nfs/dbraw/zinc/18/48/83/948184883.db2.gz NAVLASZLYSBQPN-OAHLLOKOSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCCO1 ZINC000432346839 948184887 /nfs/dbraw/zinc/18/48/87/948184887.db2.gz NAVLASZLYSBQPN-OAHLLOKOSA-N 2 2 364.436 3.815 20 0 FHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432350610 948192425 /nfs/dbraw/zinc/19/24/25/948192425.db2.gz DAWXDBSBVKKDHN-IBGZPJMESA-N 2 2 370.541 3.586 20 0 FHADLP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432350610 948192432 /nfs/dbraw/zinc/19/24/32/948192432.db2.gz DAWXDBSBVKKDHN-IBGZPJMESA-N 2 2 370.541 3.586 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776699 948252176 /nfs/dbraw/zinc/25/21/76/948252176.db2.gz OIBUYHBRWSFSPZ-UXPWSPDFSA-N 2 2 356.466 3.755 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776699 948252184 /nfs/dbraw/zinc/25/21/84/948252184.db2.gz OIBUYHBRWSFSPZ-UXPWSPDFSA-N 2 2 356.466 3.755 20 0 FHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432421707 948381411 /nfs/dbraw/zinc/38/14/11/948381411.db2.gz AWRACTOYJYSVMY-YJBOKZPZSA-N 2 2 369.347 3.991 20 0 FHADLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432421707 948381419 /nfs/dbraw/zinc/38/14/19/948381419.db2.gz AWRACTOYJYSVMY-YJBOKZPZSA-N 2 2 369.347 3.991 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427851 948393452 /nfs/dbraw/zinc/39/34/52/948393452.db2.gz GBDOCNXRUAJLDE-IAGOWNOFSA-N 2 2 359.539 3.962 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427851 948393458 /nfs/dbraw/zinc/39/34/58/948393458.db2.gz GBDOCNXRUAJLDE-IAGOWNOFSA-N 2 2 359.539 3.962 20 0 FHADLP CCCOc1ccc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000512149929 948559438 /nfs/dbraw/zinc/55/94/38/948559438.db2.gz UBQZYGWHYSDEDL-AWEZNQCLSA-N 2 2 363.527 3.853 20 0 FHADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168007987 948691379 /nfs/dbraw/zinc/69/13/79/948691379.db2.gz VXYUPBPVHDMHMZ-OKKQUKKRSA-N 2 2 371.544 3.910 20 0 FHADLP C[C@@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168007987 948691383 /nfs/dbraw/zinc/69/13/83/948691383.db2.gz VXYUPBPVHDMHMZ-OKKQUKKRSA-N 2 2 371.544 3.910 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000536475106 948701463 /nfs/dbraw/zinc/70/14/63/948701463.db2.gz DGZNNZFPIBAPLF-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000536475106 948701469 /nfs/dbraw/zinc/70/14/69/948701469.db2.gz DGZNNZFPIBAPLF-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000536475106 948701473 /nfs/dbraw/zinc/70/14/73/948701473.db2.gz DGZNNZFPIBAPLF-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000536475106 948701477 /nfs/dbraw/zinc/70/14/77/948701477.db2.gz DGZNNZFPIBAPLF-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP Cc1cc(-c2noc([C@@H](C)[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)n2)ccc1F ZINC000365633798 948744097 /nfs/dbraw/zinc/74/40/97/948744097.db2.gz WSIRYEKCZILSBV-GDBMZVCRSA-N 2 2 369.444 3.858 20 0 FHADLP Cc1cc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)n2)ccc1F ZINC000365633798 948744120 /nfs/dbraw/zinc/74/41/20/948744120.db2.gz WSIRYEKCZILSBV-GDBMZVCRSA-N 2 2 369.444 3.858 20 0 FHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000507810892 948763519 /nfs/dbraw/zinc/76/35/19/948763519.db2.gz VRKNYNOTACBBKO-HXUWFJFHSA-N 2 2 358.432 3.574 20 0 FHADLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1C ZINC000532675765 517093891 /nfs/dbraw/zinc/09/38/91/517093891.db2.gz FBAZWEOGMKSUFT-UHFFFAOYSA-N 2 2 354.498 3.541 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)n1 ZINC000601954175 567884835 /nfs/dbraw/zinc/88/48/35/567884835.db2.gz YWZJORQDJKAGPW-MRXNPFEDSA-N 2 2 371.481 3.688 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ncc(Br)cc1F ZINC000186942899 568026066 /nfs/dbraw/zinc/02/60/66/568026066.db2.gz KOQNUEJICWJOFT-STQMWFEESA-N 2 2 358.299 3.898 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ncc(Br)cc1F ZINC000186942899 568026067 /nfs/dbraw/zinc/02/60/67/568026067.db2.gz KOQNUEJICWJOFT-STQMWFEESA-N 2 2 358.299 3.898 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000602822250 568045450 /nfs/dbraw/zinc/04/54/50/568045450.db2.gz UKZWBPMCILEOIA-CYBMUJFWSA-N 2 2 368.437 3.517 20 0 FHADLP Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604319955 568246782 /nfs/dbraw/zinc/24/67/82/568246782.db2.gz RVDRFXUBVKWYPP-KRWDZBQOSA-N 2 2 353.466 3.642 20 0 FHADLP Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604319955 568246783 /nfs/dbraw/zinc/24/67/83/568246783.db2.gz RVDRFXUBVKWYPP-KRWDZBQOSA-N 2 2 353.466 3.642 20 0 FHADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338950 /nfs/dbraw/zinc/33/89/50/568338950.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 3 2 361.961 3.938 20 0 FHADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338951 /nfs/dbraw/zinc/33/89/51/568338951.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338952 /nfs/dbraw/zinc/33/89/52/568338952.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226333 568338953 /nfs/dbraw/zinc/33/89/53/568338953.db2.gz ZWGPUQVFNDFHRA-XCDJFROHSA-N 3 2 361.961 3.938 20 0 FHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251812 568351847 /nfs/dbraw/zinc/35/18/47/568351847.db2.gz BOZILJBSYQSGPV-QAPCUYQASA-N 2 2 356.432 3.682 20 0 FHADLP C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251812 568351848 /nfs/dbraw/zinc/35/18/48/568351848.db2.gz BOZILJBSYQSGPV-QAPCUYQASA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251878 568352546 /nfs/dbraw/zinc/35/25/46/568352546.db2.gz PAMJTUINODKDKC-MAUKXSAKSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251878 568352547 /nfs/dbraw/zinc/35/25/47/568352547.db2.gz PAMJTUINODKDKC-MAUKXSAKSA-N 2 2 356.432 3.682 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365242401 568353666 /nfs/dbraw/zinc/35/36/66/568353666.db2.gz UPSDEUKEVVJLJK-SJORKVTESA-N 2 2 352.438 3.622 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365242401 568353667 /nfs/dbraw/zinc/35/36/67/568353667.db2.gz UPSDEUKEVVJLJK-SJORKVTESA-N 2 2 352.438 3.622 20 0 FHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390887618 568461210 /nfs/dbraw/zinc/46/12/10/568461210.db2.gz WZWCALJAOIYYCP-NQIIRXRSSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390887618 568461212 /nfs/dbraw/zinc/46/12/12/568461212.db2.gz WZWCALJAOIYYCP-NQIIRXRSSA-N 2 2 356.485 3.637 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365312765 568488827 /nfs/dbraw/zinc/48/88/27/568488827.db2.gz AAMXUSLLFXWZDG-NHYWBVRUSA-N 2 2 373.353 3.961 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@H+]2C)cn1 ZINC000365312765 568488828 /nfs/dbraw/zinc/48/88/28/568488828.db2.gz AAMXUSLLFXWZDG-NHYWBVRUSA-N 2 2 373.353 3.961 20 0 FHADLP Cc1nn(C)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000365389708 568594303 /nfs/dbraw/zinc/59/43/03/568594303.db2.gz KUUWTMQPOGWKAD-WCRBZPEASA-N 2 2 352.526 3.664 20 0 FHADLP Cc1nn(C)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000365389708 568594305 /nfs/dbraw/zinc/59/43/05/568594305.db2.gz KUUWTMQPOGWKAD-WCRBZPEASA-N 2 2 352.526 3.664 20 0 FHADLP Cc1nn(C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365389708 568594306 /nfs/dbraw/zinc/59/43/06/568594306.db2.gz KUUWTMQPOGWKAD-WCRBZPEASA-N 2 2 352.526 3.664 20 0 FHADLP Cc1nn(C)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365389708 568594308 /nfs/dbraw/zinc/59/43/08/568594308.db2.gz KUUWTMQPOGWKAD-WCRBZPEASA-N 2 2 352.526 3.664 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000365441699 568680169 /nfs/dbraw/zinc/68/01/69/568680169.db2.gz YLOZWWYLTPAECF-CVEARBPZSA-N 2 2 366.465 3.566 20 0 FHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836809 720555999 /nfs/dbraw/zinc/55/59/99/720555999.db2.gz LFOUSPYWMAKYCK-HKBOAZHASA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836809 720556009 /nfs/dbraw/zinc/55/60/09/720556009.db2.gz LFOUSPYWMAKYCK-HKBOAZHASA-N 2 2 365.525 3.533 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165030202 721824396 /nfs/dbraw/zinc/82/43/96/721824396.db2.gz YTZTWQCZNHALJG-PWIZWCRZSA-N 2 2 368.550 3.935 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165030202 721824398 /nfs/dbraw/zinc/82/43/98/721824398.db2.gz YTZTWQCZNHALJG-PWIZWCRZSA-N 2 2 368.550 3.935 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000153663382 936367615 /nfs/dbraw/zinc/36/76/15/936367615.db2.gz GOIWIBBNHKHTMP-DLUDVSRJSA-N 2 2 357.454 3.600 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206769274 927797029 /nfs/dbraw/zinc/79/70/29/927797029.db2.gz NZQSFSLXWFIRIV-ZFWWWQNUSA-N 2 2 355.320 3.796 20 0 FHADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206769274 927797041 /nfs/dbraw/zinc/79/70/41/927797041.db2.gz NZQSFSLXWFIRIV-ZFWWWQNUSA-N 2 2 355.320 3.796 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000162722839 937264824 /nfs/dbraw/zinc/26/48/24/937264824.db2.gz SUJVXUNOFYNMES-GQIGUUNPSA-N 2 2 355.482 3.701 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000162722839 937264825 /nfs/dbraw/zinc/26/48/25/937264825.db2.gz SUJVXUNOFYNMES-GQIGUUNPSA-N 2 2 355.482 3.701 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182873 928669999 /nfs/dbraw/zinc/66/99/99/928669999.db2.gz OPXVAGIGHDCWFZ-CHWSQXEVSA-N 2 2 366.387 3.635 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182873 928670008 /nfs/dbraw/zinc/67/00/08/928670008.db2.gz OPXVAGIGHDCWFZ-CHWSQXEVSA-N 2 2 366.387 3.635 20 0 FHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280341 929449313 /nfs/dbraw/zinc/44/93/13/929449313.db2.gz BPDGWBMTWHCQRI-KDOFPFPSSA-N 2 2 374.326 3.913 20 0 FHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280341 929449317 /nfs/dbraw/zinc/44/93/17/929449317.db2.gz BPDGWBMTWHCQRI-KDOFPFPSSA-N 2 2 374.326 3.913 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280341 929449325 /nfs/dbraw/zinc/44/93/25/929449325.db2.gz BPDGWBMTWHCQRI-KDOFPFPSSA-N 2 2 374.326 3.913 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CC[C@@H]21 ZINC000180280341 929449342 /nfs/dbraw/zinc/44/93/42/929449342.db2.gz BPDGWBMTWHCQRI-KDOFPFPSSA-N 2 2 374.326 3.913 20 0 FHADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000162864093 937337906 /nfs/dbraw/zinc/33/79/06/937337906.db2.gz SWDNRUFNSCUZOE-OAHLLOKOSA-N 2 2 359.470 3.650 20 0 FHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000162871510 937343267 /nfs/dbraw/zinc/34/32/67/937343267.db2.gz KJMURZPALDJTLO-MRXNPFEDSA-N 2 2 354.454 3.581 20 0 FHADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Cl ZINC000657751028 937346632 /nfs/dbraw/zinc/34/66/32/937346632.db2.gz NEIZMPCGRRDGEU-AWEZNQCLSA-N 2 2 362.823 3.702 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174560 929653621 /nfs/dbraw/zinc/65/36/21/929653621.db2.gz AUNRTUSLYHAVPB-VXGBXAGGSA-N 2 2 361.711 3.541 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174560 929653628 /nfs/dbraw/zinc/65/36/28/929653628.db2.gz AUNRTUSLYHAVPB-VXGBXAGGSA-N 2 2 361.711 3.541 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623369 929995011 /nfs/dbraw/zinc/99/50/11/929995011.db2.gz GUZPPKHUUBIIHJ-WDSOQIARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623369 929995017 /nfs/dbraw/zinc/99/50/17/929995017.db2.gz GUZPPKHUUBIIHJ-WDSOQIARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623369 929995026 /nfs/dbraw/zinc/99/50/26/929995026.db2.gz GUZPPKHUUBIIHJ-WDSOQIARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623369 929995030 /nfs/dbraw/zinc/99/50/30/929995030.db2.gz GUZPPKHUUBIIHJ-WDSOQIARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000312623373 929995095 /nfs/dbraw/zinc/99/50/95/929995095.db2.gz GUZPPKHUUBIIHJ-YTQUADARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000312623373 929995098 /nfs/dbraw/zinc/99/50/98/929995098.db2.gz GUZPPKHUUBIIHJ-YTQUADARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000312623373 929995099 /nfs/dbraw/zinc/99/50/99/929995099.db2.gz GUZPPKHUUBIIHJ-YTQUADARSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000312623373 929995102 /nfs/dbraw/zinc/99/51/02/929995102.db2.gz GUZPPKHUUBIIHJ-YTQUADARSA-N 2 2 368.477 3.581 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc4cnccc4c3)CC2)c1 ZINC000683765447 930084295 /nfs/dbraw/zinc/08/42/95/930084295.db2.gz QNJAZFDCNUPRTH-UHFFFAOYSA-N 2 2 374.532 3.845 20 0 FHADLP Cn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080203435 937381673 /nfs/dbraw/zinc/38/16/73/937381673.db2.gz IUWYNQNTYFHLAN-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080203435 937381677 /nfs/dbraw/zinc/38/16/77/937381677.db2.gz IUWYNQNTYFHLAN-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126687035 937404333 /nfs/dbraw/zinc/40/43/33/937404333.db2.gz LUGZRVNDFXCSLC-NRFANRHFSA-N 2 2 364.493 3.619 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000656251944 930850726 /nfs/dbraw/zinc/85/07/26/930850726.db2.gz QLYQBPLSNBVYJJ-UHFFFAOYSA-N 2 2 355.873 3.868 20 0 FHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3C)CC1)n2C ZINC000471595957 930868757 /nfs/dbraw/zinc/86/87/57/930868757.db2.gz VWTPVEUWOWIGMB-JXFKEZNVSA-N 2 2 370.541 3.715 20 0 FHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000155870735 931229110 /nfs/dbraw/zinc/22/91/10/931229110.db2.gz YZMRIQKTULLZES-UHFFFAOYSA-N 2 2 366.465 3.512 20 0 FHADLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000060806796 931298632 /nfs/dbraw/zinc/29/86/32/931298632.db2.gz FJMMDBVZPHURRY-UHFFFAOYSA-N 2 2 357.479 3.712 20 0 FHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n2)cc1C ZINC000581012576 931466659 /nfs/dbraw/zinc/46/66/59/931466659.db2.gz ICYZTBHKXDZSOT-FQEVSTJZSA-N 2 2 374.554 3.637 20 0 FHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090714758 931576052 /nfs/dbraw/zinc/57/60/52/931576052.db2.gz BNWJQJWXKLQGFW-HOTGVXAUSA-N 2 2 358.486 3.684 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560067 931851126 /nfs/dbraw/zinc/85/11/26/931851126.db2.gz YUUYYTCOQYSQKE-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560067 931851128 /nfs/dbraw/zinc/85/11/28/931851128.db2.gz YUUYYTCOQYSQKE-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000430562053 931871197 /nfs/dbraw/zinc/87/11/97/931871197.db2.gz PIGKMUAXZZQHFC-FUHWJXTLSA-N 2 2 372.340 3.620 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000430588000 931965255 /nfs/dbraw/zinc/96/52/55/931965255.db2.gz YEIXNJDRLMLKHP-AWEZNQCLSA-N 2 2 351.235 3.514 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430588913 931973157 /nfs/dbraw/zinc/97/31/57/931973157.db2.gz BCRQBWFEUXNATP-JTQLQIEISA-N 2 2 365.827 3.603 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430588913 931973167 /nfs/dbraw/zinc/97/31/67/931973167.db2.gz BCRQBWFEUXNATP-JTQLQIEISA-N 2 2 365.827 3.603 20 0 FHADLP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163158 931974429 /nfs/dbraw/zinc/97/44/29/931974429.db2.gz YTSGAYONLOXJHK-FBBABVLZSA-N 2 2 357.567 3.851 20 0 FHADLP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163158 931974450 /nfs/dbraw/zinc/97/44/50/931974450.db2.gz YTSGAYONLOXJHK-FBBABVLZSA-N 2 2 357.567 3.851 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1C ZINC000581438732 932075130 /nfs/dbraw/zinc/07/51/30/932075130.db2.gz ZHRVTGYJYHIENC-HXUWFJFHSA-N 2 2 374.488 3.950 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1C ZINC000581438732 932075141 /nfs/dbraw/zinc/07/51/41/932075141.db2.gz ZHRVTGYJYHIENC-HXUWFJFHSA-N 2 2 374.488 3.950 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000581647161 932380547 /nfs/dbraw/zinc/38/05/47/932380547.db2.gz DXBLLVUVJIBDHA-KEZQHZCBSA-N 2 2 366.505 3.514 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000581647161 932380553 /nfs/dbraw/zinc/38/05/53/932380553.db2.gz DXBLLVUVJIBDHA-KEZQHZCBSA-N 2 2 366.505 3.514 20 0 FHADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OCc3ccncc3)cc2)cc1 ZINC000656788880 932426556 /nfs/dbraw/zinc/42/65/56/932426556.db2.gz IFJSJGNYGZLPSP-DNQXCXABSA-N 2 2 373.500 3.896 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000581911856 932996525 /nfs/dbraw/zinc/99/65/25/932996525.db2.gz MGAPEEUSKCQNSR-OXJNMPFZSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000581911856 932996528 /nfs/dbraw/zinc/99/65/28/932996528.db2.gz MGAPEEUSKCQNSR-OXJNMPFZSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000581911856 932996530 /nfs/dbraw/zinc/99/65/30/932996530.db2.gz MGAPEEUSKCQNSR-OXJNMPFZSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000581911856 932996533 /nfs/dbraw/zinc/99/65/33/932996533.db2.gz MGAPEEUSKCQNSR-OXJNMPFZSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336196 933011722 /nfs/dbraw/zinc/01/17/22/933011722.db2.gz ABUYYTJBHFMPRO-ROUUACIJSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336196 933011727 /nfs/dbraw/zinc/01/17/27/933011727.db2.gz ABUYYTJBHFMPRO-ROUUACIJSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336996 933015925 /nfs/dbraw/zinc/01/59/25/933015925.db2.gz ROYXGJAGTJERNT-OAHLLOKOSA-N 2 2 372.900 3.609 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336996 933015931 /nfs/dbraw/zinc/01/59/31/933015931.db2.gz ROYXGJAGTJERNT-OAHLLOKOSA-N 2 2 372.900 3.609 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000430693496 933037292 /nfs/dbraw/zinc/03/72/92/933037292.db2.gz HBHCSRJZNCZEFK-NRFANRHFSA-N 2 2 372.472 3.539 20 0 FHADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2Cl)n1 ZINC000510531970 933192996 /nfs/dbraw/zinc/19/29/96/933192996.db2.gz DHNJRYRXZBYXSM-AWEZNQCLSA-N 2 2 355.873 3.843 20 0 FHADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccccc2Cl)n1 ZINC000510531970 933192999 /nfs/dbraw/zinc/19/29/99/933192999.db2.gz DHNJRYRXZBYXSM-AWEZNQCLSA-N 2 2 355.873 3.843 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510535970 933196727 /nfs/dbraw/zinc/19/67/27/933196727.db2.gz CMHBFRNSBARMPD-FQEVSTJZSA-N 2 2 363.509 3.959 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510535970 933196729 /nfs/dbraw/zinc/19/67/29/933196729.db2.gz CMHBFRNSBARMPD-FQEVSTJZSA-N 2 2 363.509 3.959 20 0 FHADLP C[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276920950 933992989 /nfs/dbraw/zinc/99/29/89/933992989.db2.gz MMIUVWKMHOXQDW-OAGGEKHMSA-N 2 2 351.454 3.915 20 0 FHADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937559 934187183 /nfs/dbraw/zinc/18/71/83/934187183.db2.gz ZBGZBPBWMDQYPZ-WTIAFYNJSA-N 2 2 360.505 3.529 20 0 FHADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937559 934187186 /nfs/dbraw/zinc/18/71/86/934187186.db2.gz ZBGZBPBWMDQYPZ-WTIAFYNJSA-N 2 2 360.505 3.529 20 0 FHADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610796332 934222186 /nfs/dbraw/zinc/22/21/86/934222186.db2.gz ARWYTBWBAKBREQ-OAHLLOKOSA-N 2 2 369.250 3.619 20 0 FHADLP Cc1cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C)c[nH+]1 ZINC000535773425 934362355 /nfs/dbraw/zinc/36/23/55/934362355.db2.gz MSUWKCPYMVJHHE-GOSISDBHSA-N 2 2 358.530 3.629 20 0 FHADLP Cc1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)c[nH+]1 ZINC000535773425 934362366 /nfs/dbraw/zinc/36/23/66/934362366.db2.gz MSUWKCPYMVJHHE-GOSISDBHSA-N 2 2 358.530 3.629 20 0 FHADLP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c(C)c[nH+]1 ZINC000535773659 934363081 /nfs/dbraw/zinc/36/30/81/934363081.db2.gz MRLIDKCQHQHCEG-GOSISDBHSA-N 2 2 372.538 3.777 20 0 FHADLP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(OC(F)F)cc1C ZINC000535805503 934410982 /nfs/dbraw/zinc/41/09/82/934410982.db2.gz BAGMQIKUJDXQGS-JENIJYKNSA-N 2 2 368.468 3.588 20 0 FHADLP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(OC(F)F)cc1C ZINC000535805503 934410985 /nfs/dbraw/zinc/41/09/85/934410985.db2.gz BAGMQIKUJDXQGS-JENIJYKNSA-N 2 2 368.468 3.588 20 0 FHADLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610799091 934442737 /nfs/dbraw/zinc/44/27/37/934442737.db2.gz GXQLSPGDCOQQSC-DOMZBBRYSA-N 2 2 369.250 3.617 20 0 FHADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974333 934465415 /nfs/dbraw/zinc/46/54/15/934465415.db2.gz DPEATCTVGINMHL-UWJYYQICSA-N 2 2 358.505 3.606 20 0 FHADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974333 934465421 /nfs/dbraw/zinc/46/54/21/934465421.db2.gz DPEATCTVGINMHL-UWJYYQICSA-N 2 2 358.505 3.606 20 0 FHADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000181009498 934521635 /nfs/dbraw/zinc/52/16/35/934521635.db2.gz WBIOTJOWAKLQPU-RTWAWAEBSA-N 2 2 370.493 3.929 20 0 FHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000684613398 934550676 /nfs/dbraw/zinc/55/06/76/934550676.db2.gz QROFXQJQHXWWSR-INIZCTEOSA-N 2 2 370.368 3.638 20 0 FHADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCCc3c(Cl)cccc3Cl)CC2)C1 ZINC000684613398 934550679 /nfs/dbraw/zinc/55/06/79/934550679.db2.gz QROFXQJQHXWWSR-INIZCTEOSA-N 2 2 370.368 3.638 20 0 FHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000448021462 934588290 /nfs/dbraw/zinc/58/82/90/934588290.db2.gz IRNYTTAJSRAJFO-QZNHQXDQSA-N 2 2 366.553 3.947 20 0 FHADLP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000448021462 934588294 /nfs/dbraw/zinc/58/82/94/934588294.db2.gz IRNYTTAJSRAJFO-QZNHQXDQSA-N 2 2 366.553 3.947 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000151007953 934746409 /nfs/dbraw/zinc/74/64/09/934746409.db2.gz CWECWCHTVIPDQS-BBRMVZONSA-N 2 2 353.495 3.684 20 0 FHADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000277252489 934843319 /nfs/dbraw/zinc/84/33/19/934843319.db2.gz OCFAMSSCUCJSLN-JYJNAYRXSA-N 2 2 359.518 3.670 20 0 FHADLP Clc1ccc(OCc2nc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000548624653 935049987 /nfs/dbraw/zinc/04/99/87/935049987.db2.gz UUYCSTMBKUJVOV-CQSZACIVSA-N 2 2 374.897 3.677 20 0 FHADLP COc1ccc2cc(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000582132293 935310584 /nfs/dbraw/zinc/31/05/84/935310584.db2.gz IGRDJJSCLDPRSZ-NRFANRHFSA-N 2 2 354.494 3.535 20 0 FHADLP COc1ccc2cc(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000582132293 935310587 /nfs/dbraw/zinc/31/05/87/935310587.db2.gz IGRDJJSCLDPRSZ-NRFANRHFSA-N 2 2 354.494 3.535 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000152223850 935316452 /nfs/dbraw/zinc/31/64/52/935316452.db2.gz AAWZACZFPYBPAU-INIZCTEOSA-N 2 2 362.433 3.680 20 0 FHADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000582151910 935353911 /nfs/dbraw/zinc/35/39/11/935353911.db2.gz WDWDBIIBHSVPJQ-OAHLLOKOSA-N 2 2 351.454 3.585 20 0 FHADLP COc1cc([C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccn1 ZINC000582191616 935387514 /nfs/dbraw/zinc/38/75/14/935387514.db2.gz DNXZCUJFWBILOR-JQRITLKVSA-N 2 2 357.420 3.546 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c2ccsc2S1 ZINC000158466816 935584839 /nfs/dbraw/zinc/58/48/39/935584839.db2.gz USRLLLWJTUDELK-WMLDXEAASA-N 2 2 374.579 3.610 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582420983 935685496 /nfs/dbraw/zinc/68/54/96/935685496.db2.gz RFZKJCRPVWATRJ-WZONZLPQSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582420983 935685500 /nfs/dbraw/zinc/68/55/00/935685500.db2.gz RFZKJCRPVWATRJ-WZONZLPQSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582420980 935685582 /nfs/dbraw/zinc/68/55/82/935685582.db2.gz RFZKJCRPVWATRJ-FDDCHVKYSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582420980 935685584 /nfs/dbraw/zinc/68/55/84/935685584.db2.gz RFZKJCRPVWATRJ-FDDCHVKYSA-N 2 2 363.505 3.756 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582443715 935715458 /nfs/dbraw/zinc/71/54/58/935715458.db2.gz BIEHMTIVECDZQN-UXHICEINSA-N 2 2 363.590 3.752 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582443715 935715461 /nfs/dbraw/zinc/71/54/61/935715461.db2.gz BIEHMTIVECDZQN-UXHICEINSA-N 2 2 363.590 3.752 20 0 FHADLP COC(=O)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448173 935721409 /nfs/dbraw/zinc/72/14/09/935721409.db2.gz UBVGTRNUWKTEHK-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448173 935721413 /nfs/dbraw/zinc/72/14/13/935721413.db2.gz UBVGTRNUWKTEHK-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448173 935721418 /nfs/dbraw/zinc/72/14/18/935721418.db2.gz UBVGTRNUWKTEHK-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448173 935721420 /nfs/dbraw/zinc/72/14/20/935721420.db2.gz UBVGTRNUWKTEHK-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000582448176 935721548 /nfs/dbraw/zinc/72/15/48/935721548.db2.gz UGMDZVGURCGBEP-UHFFFAOYSA-N 2 2 350.457 3.541 20 0 FHADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000582448176 935721550 /nfs/dbraw/zinc/72/15/50/935721550.db2.gz UGMDZVGURCGBEP-UHFFFAOYSA-N 2 2 350.457 3.541 20 0 FHADLP COc1ccc([C@H](C[NH+]2CCCC2)Nc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC000431422685 935759414 /nfs/dbraw/zinc/75/94/14/935759414.db2.gz OZQBYYJICGTFNJ-IBGZPJMESA-N 2 2 368.456 3.970 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000152811545 935870447 /nfs/dbraw/zinc/87/04/47/935870447.db2.gz DRSVZHBPMMQBDR-ZDUSSCGKSA-N 2 2 363.889 3.783 20 0 FHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793781 945136684 /nfs/dbraw/zinc/13/66/84/945136684.db2.gz QXKPDLOCZTXNBR-BTZGUFSASA-N 2 2 372.459 3.859 20 0 FHADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793781 945136688 /nfs/dbraw/zinc/13/66/88/945136688.db2.gz QXKPDLOCZTXNBR-BTZGUFSASA-N 2 2 372.459 3.859 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000582704096 935965230 /nfs/dbraw/zinc/96/52/30/935965230.db2.gz JYDFEHHRVIXRKM-HNAYVOBHSA-N 2 2 352.482 3.649 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000582704096 935965235 /nfs/dbraw/zinc/96/52/35/935965235.db2.gz JYDFEHHRVIXRKM-HNAYVOBHSA-N 2 2 352.482 3.649 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106214016 945138703 /nfs/dbraw/zinc/13/87/03/945138703.db2.gz LNZMZOSLNKLTPE-PKOBYXMFSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106214016 945138708 /nfs/dbraw/zinc/13/87/08/945138708.db2.gz LNZMZOSLNKLTPE-PKOBYXMFSA-N 2 2 354.498 3.726 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000076762681 936033683 /nfs/dbraw/zinc/03/36/83/936033683.db2.gz MQJYIFSPOCZODA-KRWDZBQOSA-N 2 2 372.484 3.985 20 0 FHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000077417519 936050917 /nfs/dbraw/zinc/05/09/17/936050917.db2.gz UHELOPQTMPPJCL-HNNXBMFYSA-N 2 2 371.916 3.824 20 0 FHADLP Fc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OCC(F)(F)F ZINC000628147185 936059752 /nfs/dbraw/zinc/05/97/52/936059752.db2.gz LACWZMBUINTLEK-CYBMUJFWSA-N 2 2 357.351 3.870 20 0 FHADLP Fc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1OCC(F)(F)F ZINC000628147185 936059758 /nfs/dbraw/zinc/05/97/58/936059758.db2.gz LACWZMBUINTLEK-CYBMUJFWSA-N 2 2 357.351 3.870 20 0 FHADLP C[C@@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000237480804 936085232 /nfs/dbraw/zinc/08/52/32/936085232.db2.gz SXVLIOAMSCSCLZ-IIDMSEBBSA-N 2 2 372.538 3.650 20 0 FHADLP C[C@@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000237480804 936085236 /nfs/dbraw/zinc/08/52/36/936085236.db2.gz SXVLIOAMSCSCLZ-IIDMSEBBSA-N 2 2 372.538 3.650 20 0 FHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582911203 936283691 /nfs/dbraw/zinc/28/36/91/936283691.db2.gz MQPMSZDYNXLUPZ-INIZCTEOSA-N 2 2 369.900 3.572 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000583594792 938311743 /nfs/dbraw/zinc/31/17/43/938311743.db2.gz NBALMHDBVBUQLA-SFHVURJKSA-N 2 2 357.461 3.968 20 0 FHADLP CC[NH2+]CC1CC[NH+](Cc2cc(Br)c(Cl)s2)CC1 ZINC000227911664 938432544 /nfs/dbraw/zinc/43/25/44/938432544.db2.gz RYEAVIBGJLSQCB-UHFFFAOYSA-N 2 2 351.741 3.986 20 0 FHADLP Cc1ccc(Br)cc1C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC001140656562 938460411 /nfs/dbraw/zinc/46/04/11/938460411.db2.gz BOPUCESNXSYPOD-UHFFFAOYSA-N 2 2 360.299 3.783 20 0 FHADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)[nH+]1 ZINC000092813234 938524105 /nfs/dbraw/zinc/52/41/05/938524105.db2.gz LMRMESZQMXTZBY-GDBMZVCRSA-N 2 2 356.539 3.905 20 0 FHADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)[nH+]1 ZINC000092813234 938524111 /nfs/dbraw/zinc/52/41/11/938524111.db2.gz LMRMESZQMXTZBY-GDBMZVCRSA-N 2 2 356.539 3.905 20 0 FHADLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000657814172 938528531 /nfs/dbraw/zinc/52/85/31/938528531.db2.gz ALAXOGLCSGFCDQ-HTAPYJJXSA-N 2 2 356.485 3.544 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc([S@@](C)=O)cc1 ZINC000151340879 938530124 /nfs/dbraw/zinc/53/01/24/938530124.db2.gz OJJPJWOVIHQVDP-CPJLOUKISA-N 2 2 353.491 3.520 20 0 FHADLP c1ccc(N2CCC([NH2+]CC[C@@H]3CSc4ccccc4O3)CC2)[nH+]c1 ZINC000647321112 938580662 /nfs/dbraw/zinc/58/06/62/938580662.db2.gz XWIWGMYZWZNTJG-QGZVFWFLSA-N 2 2 355.507 3.583 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000584166900 938624521 /nfs/dbraw/zinc/62/45/21/938624521.db2.gz OGAVPCOUNABMIS-MGPUTAFESA-N 2 2 355.457 3.698 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302095 938677521 /nfs/dbraw/zinc/67/75/21/938677521.db2.gz RYOZKHSTTYNDMM-QXCFHYIPSA-N 3 2 369.475 3.948 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302095 938677524 /nfs/dbraw/zinc/67/75/24/938677524.db2.gz RYOZKHSTTYNDMM-QXCFHYIPSA-N 3 2 369.475 3.948 20 0 FHADLP CC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@H+](C)Cc1ccccc1 ZINC000584305014 938678627 /nfs/dbraw/zinc/67/86/27/938678627.db2.gz WBESSCSLRJNWOD-FQEVSTJZSA-N 2 2 369.509 3.576 20 0 FHADLP CC[C@@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@@H+](C)Cc1ccccc1 ZINC000584305014 938678630 /nfs/dbraw/zinc/67/86/30/938678630.db2.gz WBESSCSLRJNWOD-FQEVSTJZSA-N 2 2 369.509 3.576 20 0 FHADLP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959822 938710165 /nfs/dbraw/zinc/71/01/65/938710165.db2.gz SUAWBYXBZKYMQY-AWEZNQCLSA-N 2 2 357.845 3.535 20 0 FHADLP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959822 938710167 /nfs/dbraw/zinc/71/01/67/938710167.db2.gz SUAWBYXBZKYMQY-AWEZNQCLSA-N 2 2 357.845 3.535 20 0 FHADLP FCC1(CF)CC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000657883480 938971553 /nfs/dbraw/zinc/97/15/53/938971553.db2.gz YASOKNGQSBSRSM-UHFFFAOYSA-N 2 2 371.903 3.530 20 0 FHADLP CCOC1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000657887885 938981893 /nfs/dbraw/zinc/98/18/93/938981893.db2.gz KLUVKSMTQXNOEN-PELRDEGISA-N 2 2 360.542 3.824 20 0 FHADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)s2)cc1 ZINC000668741718 938982310 /nfs/dbraw/zinc/98/23/10/938982310.db2.gz ZBPBNFNXTXGOLM-LJQANCHMSA-N 2 2 356.535 3.755 20 0 FHADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)s2)cc1 ZINC000668741718 938982311 /nfs/dbraw/zinc/98/23/11/938982311.db2.gz ZBPBNFNXTXGOLM-LJQANCHMSA-N 2 2 356.535 3.755 20 0 FHADLP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428167 938985424 /nfs/dbraw/zinc/98/54/24/938985424.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 2 372.459 3.547 20 0 FHADLP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428167 938985425 /nfs/dbraw/zinc/98/54/25/938985425.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428167 938985426 /nfs/dbraw/zinc/98/54/26/938985426.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428167 938985427 /nfs/dbraw/zinc/98/54/27/938985427.db2.gz QGOKQXNVQUCERM-ZQAYIGKJSA-N 2 2 372.459 3.547 20 0 FHADLP CSc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000685470124 938989252 /nfs/dbraw/zinc/98/92/52/938989252.db2.gz ZBFNKCOTOVGCLT-SWLSCSKDSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000685470124 938989253 /nfs/dbraw/zinc/98/92/53/938989253.db2.gz ZBFNKCOTOVGCLT-SWLSCSKDSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000685470124 938989254 /nfs/dbraw/zinc/98/92/54/938989254.db2.gz ZBFNKCOTOVGCLT-SWLSCSKDSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685470124 938989255 /nfs/dbraw/zinc/98/92/55/938989255.db2.gz ZBFNKCOTOVGCLT-SWLSCSKDSA-N 2 2 357.361 3.943 20 0 FHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658077487 939021141 /nfs/dbraw/zinc/02/11/41/939021141.db2.gz CXMCIFSWBZGNML-CZUORRHYSA-N 2 2 356.436 3.628 20 0 FHADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)cn21 ZINC000516769233 945222920 /nfs/dbraw/zinc/22/29/20/945222920.db2.gz WYCWERRTQNVHKR-HXUWFJFHSA-N 2 2 360.505 3.930 20 0 FHADLP Cc1cccc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)cn21 ZINC000516769233 945222928 /nfs/dbraw/zinc/22/29/28/945222928.db2.gz WYCWERRTQNVHKR-HXUWFJFHSA-N 2 2 360.505 3.930 20 0 FHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000658293847 939100657 /nfs/dbraw/zinc/10/06/57/939100657.db2.gz JIFRJSPGUDPXJP-WBVHZDCISA-N 2 2 355.309 3.824 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000658295823 939101794 /nfs/dbraw/zinc/10/17/94/939101794.db2.gz ORHXTPQTVPJPSH-WMZOPIPTSA-N 2 2 372.431 3.879 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327415 939104735 /nfs/dbraw/zinc/10/47/35/939104735.db2.gz OCPWCGLFIXKOAR-RHSMWYFYSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H](C)C1 ZINC000658327415 939104737 /nfs/dbraw/zinc/10/47/37/939104737.db2.gz OCPWCGLFIXKOAR-RHSMWYFYSA-N 2 2 374.447 3.654 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316558 939109862 /nfs/dbraw/zinc/10/98/62/939109862.db2.gz FUAWWDYSSYMCRB-ICSRJNTNSA-N 2 2 364.537 3.782 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1cc2n(n1)CCC2 ZINC000658316558 939109865 /nfs/dbraw/zinc/10/98/65/939109865.db2.gz FUAWWDYSSYMCRB-ICSRJNTNSA-N 2 2 364.537 3.782 20 0 FHADLP COc1ccccc1-c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)on1 ZINC000658358831 939125981 /nfs/dbraw/zinc/12/59/81/939125981.db2.gz ZWGJFEOYKJMMOC-UHFFFAOYSA-N 2 2 364.449 3.504 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(Br)c1 ZINC000375791721 939210476 /nfs/dbraw/zinc/21/04/76/939210476.db2.gz PCWDWFLSXQUHAR-CQSZACIVSA-N 2 2 364.287 3.630 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449251 945242851 /nfs/dbraw/zinc/24/28/51/945242851.db2.gz MROURTKUXGGYCY-IFXJQAMLSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449251 945242859 /nfs/dbraw/zinc/24/28/59/945242859.db2.gz MROURTKUXGGYCY-IFXJQAMLSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449248 945242901 /nfs/dbraw/zinc/24/29/01/945242901.db2.gz MROURTKUXGGYCY-AUUYWEPGSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449248 945242910 /nfs/dbraw/zinc/24/29/10/945242910.db2.gz MROURTKUXGGYCY-AUUYWEPGSA-N 2 2 363.427 3.542 20 0 FHADLP CC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1ccccc1F ZINC000507465883 945254217 /nfs/dbraw/zinc/25/42/17/945254217.db2.gz BSQVFTGWBIKFJD-OAHLLOKOSA-N 2 2 362.411 3.990 20 0 FHADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3ccccc3)c2)nc[nH+]1 ZINC000518274300 945280404 /nfs/dbraw/zinc/28/04/04/945280404.db2.gz SQZSZNAEJRUVCP-OAQYLSRUSA-N 2 2 373.504 3.944 20 0 FHADLP Cc1[nH]c(CN(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)[nH+]c1C ZINC000628278232 940061165 /nfs/dbraw/zinc/06/11/65/940061165.db2.gz GZFFBRRDCHVKDZ-UHFFFAOYSA-N 2 2 354.420 3.609 20 0 FHADLP CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CCCCC1 ZINC000548931226 940081738 /nfs/dbraw/zinc/08/17/38/940081738.db2.gz JUBXYORNGUWPFD-NRFANRHFSA-N 2 2 371.569 3.668 20 0 FHADLP CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CCCCC1 ZINC000548931226 940081742 /nfs/dbraw/zinc/08/17/42/940081742.db2.gz JUBXYORNGUWPFD-NRFANRHFSA-N 2 2 371.569 3.668 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302704 /nfs/dbraw/zinc/30/27/04/945302704.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 2 2 363.549 3.790 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000507526215 945302713 /nfs/dbraw/zinc/30/27/13/945302713.db2.gz LKWNBYIRLRAFQE-YCAMKHIRSA-N 2 2 363.549 3.790 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064345 940472772 /nfs/dbraw/zinc/47/27/72/940472772.db2.gz FOQYIJWJSBFWFW-MSOLQXFVSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064345 940472773 /nfs/dbraw/zinc/47/27/73/940472773.db2.gz FOQYIJWJSBFWFW-MSOLQXFVSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1cc2n(n1)CCC2 ZINC000414075710 940481434 /nfs/dbraw/zinc/48/14/34/940481434.db2.gz PLHDIOIVXSNDIF-SFHVURJKSA-N 2 2 352.526 3.912 20 0 FHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000414096983 940502340 /nfs/dbraw/zinc/50/23/40/940502340.db2.gz MLXVJENVGYYKKO-WMZOPIPTSA-N 2 2 354.498 3.712 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000159215575 940714388 /nfs/dbraw/zinc/71/43/88/940714388.db2.gz YLBZQHWLUIAQCH-CYBMUJFWSA-N 2 2 360.420 3.579 20 0 FHADLP Cc1cc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000613502932 940791348 /nfs/dbraw/zinc/79/13/48/940791348.db2.gz BQICMLYMTCEWED-IBGZPJMESA-N 2 2 364.518 3.788 20 0 FHADLP Cc1cc(NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000613502932 940791350 /nfs/dbraw/zinc/79/13/50/940791350.db2.gz BQICMLYMTCEWED-IBGZPJMESA-N 2 2 364.518 3.788 20 0 FHADLP Cc1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2csc(C)n2)CC3)cs1 ZINC000376365023 940844215 /nfs/dbraw/zinc/84/42/15/940844215.db2.gz DYLCDKDVDYRAIU-UHFFFAOYSA-N 2 2 362.568 3.705 20 0 FHADLP Cc1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2csc(C)n2)CC3)cs1 ZINC000376365023 940844218 /nfs/dbraw/zinc/84/42/18/940844218.db2.gz DYLCDKDVDYRAIU-UHFFFAOYSA-N 2 2 362.568 3.705 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949343 /nfs/dbraw/zinc/94/93/43/940949343.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 3 2 355.570 3.849 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949346 /nfs/dbraw/zinc/94/93/46/940949346.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949348 /nfs/dbraw/zinc/94/93/48/940949348.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582186 940949351 /nfs/dbraw/zinc/94/93/51/940949351.db2.gz PZGLUNBDKNUPOE-PKTZIBPZSA-N 3 2 355.570 3.849 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428142 940978511 /nfs/dbraw/zinc/97/85/11/940978511.db2.gz NNBQHZHHWVSBTD-CDHQVMDDSA-N 2 2 355.457 3.545 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428142 940978513 /nfs/dbraw/zinc/97/85/13/940978513.db2.gz NNBQHZHHWVSBTD-CDHQVMDDSA-N 2 2 355.457 3.545 20 0 FHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660904 945366313 /nfs/dbraw/zinc/36/63/13/945366313.db2.gz BCLCXPGCVJAYKV-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660904 945366323 /nfs/dbraw/zinc/36/63/23/945366323.db2.gz BCLCXPGCVJAYKV-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660904 945366330 /nfs/dbraw/zinc/36/63/30/945366330.db2.gz BCLCXPGCVJAYKV-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660904 945366341 /nfs/dbraw/zinc/36/63/41/945366341.db2.gz BCLCXPGCVJAYKV-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661725 945367621 /nfs/dbraw/zinc/36/76/21/945367621.db2.gz FQNDDYQRDOORCW-JOCHJYFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[NH+](C)CCOc1ccc(CNc2cc[nH+]c(OCC(F)(F)F)c2)cc1 ZINC000685916203 941015175 /nfs/dbraw/zinc/01/51/75/941015175.db2.gz QLZLEJHNMOZTSZ-UHFFFAOYSA-N 2 2 369.387 3.575 20 0 FHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661725 945367625 /nfs/dbraw/zinc/36/76/25/945367625.db2.gz FQNDDYQRDOORCW-JOCHJYFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661725 945367631 /nfs/dbraw/zinc/36/76/31/945367631.db2.gz FQNDDYQRDOORCW-JOCHJYFZSA-N 2 2 369.484 3.717 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccc3F)nc1)C2 ZINC000660661725 945367644 /nfs/dbraw/zinc/36/76/44/945367644.db2.gz FQNDDYQRDOORCW-JOCHJYFZSA-N 2 2 369.484 3.717 20 0 FHADLP COc1cc2c(cc1C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)O[C@@H](C)C2 ZINC000030901943 941086615 /nfs/dbraw/zinc/08/66/15/941086615.db2.gz TTZBMIKMRZGRES-INIZCTEOSA-N 2 2 363.461 3.553 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116509 /nfs/dbraw/zinc/11/65/09/941116509.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 2 2 351.494 3.727 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116510 /nfs/dbraw/zinc/11/65/10/941116510.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 2 2 351.494 3.727 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116512 /nfs/dbraw/zinc/11/65/12/941116512.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 2 2 351.494 3.727 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc2ccccc21 ZINC000177319316 941116513 /nfs/dbraw/zinc/11/65/13/941116513.db2.gz IWGMLSSTVZIUKR-MOPGFXCFSA-N 2 2 351.494 3.727 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000311249988 941152682 /nfs/dbraw/zinc/15/26/82/941152682.db2.gz SFHUYVRUFWWZLH-BRWVUGGUSA-N 2 2 364.534 3.723 20 0 FHADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376970161 941481500 /nfs/dbraw/zinc/48/15/00/941481500.db2.gz ZMLVKHQUPWAZRS-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376970161 941481502 /nfs/dbraw/zinc/48/15/02/941481502.db2.gz ZMLVKHQUPWAZRS-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000376970161 941481504 /nfs/dbraw/zinc/48/15/04/941481504.db2.gz ZMLVKHQUPWAZRS-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000376970161 941481507 /nfs/dbraw/zinc/48/15/07/941481507.db2.gz ZMLVKHQUPWAZRS-AVRDEDQJSA-N 2 2 364.468 3.894 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCCO2 ZINC000377167906 941534700 /nfs/dbraw/zinc/53/47/00/941534700.db2.gz GYZLJNYPWFVFHU-INIZCTEOSA-N 2 2 353.466 3.563 20 0 FHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729339077 941722739 /nfs/dbraw/zinc/72/27/39/941722739.db2.gz SVALXYJSPGOSRA-HXUWFJFHSA-N 2 2 370.541 3.960 20 0 FHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000729339077 941722744 /nfs/dbraw/zinc/72/27/44/941722744.db2.gz SVALXYJSPGOSRA-HXUWFJFHSA-N 2 2 370.541 3.960 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204952 941779867 /nfs/dbraw/zinc/77/98/67/941779867.db2.gz YDLKCMDTEWKSBF-UGKGYDQZSA-N 3 2 365.606 3.510 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000513204952 941779870 /nfs/dbraw/zinc/77/98/70/941779870.db2.gz YDLKCMDTEWKSBF-UGKGYDQZSA-N 3 2 365.606 3.510 20 0 FHADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1c1ccccc1 ZINC000513226311 941797834 /nfs/dbraw/zinc/79/78/34/941797834.db2.gz ICLFBHSZWKPIKM-NRFANRHFSA-N 2 2 355.526 3.569 20 0 FHADLP Cc1[nH+]c(N2CCOCC2)ccc1NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000584534127 941835125 /nfs/dbraw/zinc/83/51/25/941835125.db2.gz CBNFHQVFVKNHKA-UHFFFAOYSA-N 2 2 365.481 3.610 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000377649299 941868950 /nfs/dbraw/zinc/86/89/50/941868950.db2.gz MCEVTMBBPFEMRG-QEORTHHSSA-N 2 2 365.930 3.632 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)s1 ZINC000377649299 941868956 /nfs/dbraw/zinc/86/89/56/941868956.db2.gz MCEVTMBBPFEMRG-QEORTHHSSA-N 2 2 365.930 3.632 20 0 FHADLP COc1cc([C@@H](C)[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1F ZINC000377648658 941869651 /nfs/dbraw/zinc/86/96/51/941869651.db2.gz LGFNLSOEQIULSV-QGZVFWFLSA-N 2 2 371.500 3.929 20 0 FHADLP COc1cc([C@@H](C)[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1F ZINC000377648658 941869653 /nfs/dbraw/zinc/86/96/53/941869653.db2.gz LGFNLSOEQIULSV-QGZVFWFLSA-N 2 2 371.500 3.929 20 0 FHADLP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCc4[nH+]c[nH]c43)cc2)CC1 ZINC000377661221 941876575 /nfs/dbraw/zinc/87/65/75/941876575.db2.gz DKLYOLVDZJYULR-SFHVURJKSA-N 2 2 352.482 3.700 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000119319091 941879631 /nfs/dbraw/zinc/87/96/31/941879631.db2.gz XIHNNFRWVYAPBS-GJZGRUSLSA-N 2 2 371.447 3.887 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462626 941941214 /nfs/dbraw/zinc/94/12/14/941941214.db2.gz FVJMQKWQFQCPSP-OIBXWCBGSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462626 941941217 /nfs/dbraw/zinc/94/12/17/941941217.db2.gz FVJMQKWQFQCPSP-OIBXWCBGSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462627 941941323 /nfs/dbraw/zinc/94/13/23/941941323.db2.gz FVJMQKWQFQCPSP-PTUXOGIPSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462627 941941327 /nfs/dbraw/zinc/94/13/27/941941327.db2.gz FVJMQKWQFQCPSP-PTUXOGIPSA-N 2 2 351.538 3.932 20 0 FHADLP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000513473216 941952306 /nfs/dbraw/zinc/95/23/06/941952306.db2.gz ULIFVNICTDPBEA-YADHBBJMSA-N 2 2 370.924 3.800 20 0 FHADLP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000513473216 941952307 /nfs/dbraw/zinc/95/23/07/941952307.db2.gz ULIFVNICTDPBEA-YADHBBJMSA-N 2 2 370.924 3.800 20 0 FHADLP C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481379 941957702 /nfs/dbraw/zinc/95/77/02/941957702.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481379 941957704 /nfs/dbraw/zinc/95/77/04/941957704.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481379 941957706 /nfs/dbraw/zinc/95/77/06/941957706.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481379 941957709 /nfs/dbraw/zinc/95/77/09/941957709.db2.gz BCIHSCRASKFCQH-HOJAQTOUSA-N 2 2 357.567 3.994 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000513517665 941978211 /nfs/dbraw/zinc/97/82/11/941978211.db2.gz JIFKBWUGDJZNOR-FBEWHJACSA-N 2 2 353.510 3.942 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000513517665 941978214 /nfs/dbraw/zinc/97/82/14/941978214.db2.gz JIFKBWUGDJZNOR-FBEWHJACSA-N 2 2 353.510 3.942 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)[C@H](C)C2)s1 ZINC000377794173 941997102 /nfs/dbraw/zinc/99/71/02/941997102.db2.gz XNHOMGNBPSBQED-KUHUBIRLSA-N 2 2 354.523 3.933 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cccc4[nH]ccc43)[C@H](C)C2)s1 ZINC000377794173 941997105 /nfs/dbraw/zinc/99/71/05/941997105.db2.gz XNHOMGNBPSBQED-KUHUBIRLSA-N 2 2 354.523 3.933 20 0 FHADLP Fc1ccc(F)c2c1CC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000513532036 942001238 /nfs/dbraw/zinc/00/12/38/942001238.db2.gz KBYQVQWKFPFSIJ-HXUWFJFHSA-N 2 2 358.432 3.574 20 0 FHADLP CCOc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)ccc1OC(F)F ZINC000377832435 942019967 /nfs/dbraw/zinc/01/99/67/942019967.db2.gz RXAWLLKHKQFMBD-HNNXBMFYSA-N 2 2 365.424 3.859 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)CCC2 ZINC000377833571 942023900 /nfs/dbraw/zinc/02/39/00/942023900.db2.gz ZOMCYVWQGAJOMO-MRXNPFEDSA-N 2 2 369.900 3.913 20 0 FHADLP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC000651107776 942031874 /nfs/dbraw/zinc/03/18/74/942031874.db2.gz QXQJDWQEDKZXER-QZTJIDSGSA-N 2 2 354.498 3.525 20 0 FHADLP C[C@H](CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)n1cc[nH+]c1 ZINC000651107776 942031879 /nfs/dbraw/zinc/03/18/79/942031879.db2.gz QXQJDWQEDKZXER-QZTJIDSGSA-N 2 2 354.498 3.525 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051794 /nfs/dbraw/zinc/05/17/94/942051794.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 2 2 352.526 3.838 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051797 /nfs/dbraw/zinc/05/17/97/942051797.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 2 2 352.526 3.838 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051802 /nfs/dbraw/zinc/05/18/02/942051802.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 2 2 352.526 3.838 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024011 942051807 /nfs/dbraw/zinc/05/18/07/942051807.db2.gz GOHSNNJAUJHTRL-QLUYHJEBSA-N 2 2 352.526 3.838 20 0 FHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000415920273 942156455 /nfs/dbraw/zinc/15/64/55/942156455.db2.gz ONMNOIQMDUACDB-INIZCTEOSA-N 2 2 372.538 3.768 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000182088487 942203874 /nfs/dbraw/zinc/20/38/74/942203874.db2.gz ZOGSPQGCKIHXEJ-MRXNPFEDSA-N 2 2 369.900 3.714 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000182088487 942203881 /nfs/dbraw/zinc/20/38/81/942203881.db2.gz ZOGSPQGCKIHXEJ-MRXNPFEDSA-N 2 2 369.900 3.714 20 0 FHADLP Cc1cc(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420849242 942228740 /nfs/dbraw/zinc/22/87/40/942228740.db2.gz NLUWVIHNSXCESC-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420849242 942228747 /nfs/dbraw/zinc/22/87/47/942228747.db2.gz NLUWVIHNSXCESC-LJQANCHMSA-N 2 2 366.509 3.504 20 0 FHADLP Oc1ccc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420896761 942243887 /nfs/dbraw/zinc/24/38/87/942243887.db2.gz BIILOBPBARCDQN-UHFFFAOYSA-N 2 2 366.505 3.604 20 0 FHADLP Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420925818 942257861 /nfs/dbraw/zinc/25/78/61/942257861.db2.gz WTZWKDBYHIIQGQ-HXUWFJFHSA-N 2 2 357.523 3.621 20 0 FHADLP Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000420925818 942257864 /nfs/dbraw/zinc/25/78/64/942257864.db2.gz WTZWKDBYHIIQGQ-HXUWFJFHSA-N 2 2 357.523 3.621 20 0 FHADLP Cc1ccc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cn1 ZINC000420933189 942260925 /nfs/dbraw/zinc/26/09/25/942260925.db2.gz HOHQFGOIFSXTBO-UHFFFAOYSA-N 2 2 365.521 3.602 20 0 FHADLP Cc1cnc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)s1 ZINC000420951746 942272917 /nfs/dbraw/zinc/27/29/17/942272917.db2.gz TXURSHCAKHMWRT-IBGZPJMESA-N 2 2 357.523 3.525 20 0 FHADLP CC[C@](C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1nc(C)cs1 ZINC000420942458 942280105 /nfs/dbraw/zinc/28/01/05/942280105.db2.gz VNDAUWGMXCMGDK-FQEVSTJZSA-N 2 2 359.539 3.699 20 0 FHADLP C[C@H]([NH2+]C1(C[NH2+][C@H]2CCCC23CCOCC3)CCOCC1)c1ccccc1 ZINC000502279400 942329314 /nfs/dbraw/zinc/32/93/14/942329314.db2.gz HCJPIKNOMVTYFK-FPOVZHCZSA-N 2 2 372.553 3.825 20 0 FHADLP CCCc1ccccc1NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421077562 942333991 /nfs/dbraw/zinc/33/39/91/942333991.db2.gz DJSIXWXADWIJAQ-UHFFFAOYSA-N 2 2 372.557 3.663 20 0 FHADLP CCCc1ccccc1NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421077562 942333994 /nfs/dbraw/zinc/33/39/94/942333994.db2.gz DJSIXWXADWIJAQ-UHFFFAOYSA-N 2 2 372.557 3.663 20 0 FHADLP Brc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000309870977 942349234 /nfs/dbraw/zinc/34/92/34/942349234.db2.gz GSWXSMUNVSKIEE-UHFFFAOYSA-N 2 2 360.299 3.598 20 0 FHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000414503004 942379613 /nfs/dbraw/zinc/37/96/13/942379613.db2.gz KZTMASPJPVAZOJ-UHFFFAOYSA-N 2 2 354.679 3.853 20 0 FHADLP c1cc(C[NH2+]Cc2cccc(C3CC3)c2)cc(OCC[NH+]2CCOCC2)c1 ZINC000421327797 942484885 /nfs/dbraw/zinc/48/48/85/942484885.db2.gz RDMJYSNPUAESQQ-UHFFFAOYSA-N 2 2 366.505 3.565 20 0 FHADLP CCOc1cc(C[NH2+]C[C@@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccc1O ZINC000502494243 942489597 /nfs/dbraw/zinc/48/95/97/942489597.db2.gz NCBHQSIKRIYPKT-NRFANRHFSA-N 2 2 368.521 3.963 20 0 FHADLP CCOc1cc(C[NH2+]C[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1O ZINC000502494243 942489601 /nfs/dbraw/zinc/48/96/01/942489601.db2.gz NCBHQSIKRIYPKT-NRFANRHFSA-N 2 2 368.521 3.963 20 0 FHADLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1OCC(F)(F)F ZINC000414837096 942530475 /nfs/dbraw/zinc/53/04/75/942530475.db2.gz UDPOEPGHTKWIAO-MRXNPFEDSA-N 2 2 368.399 3.816 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844579 942610902 /nfs/dbraw/zinc/61/09/02/942610902.db2.gz KXKSPKPZROKEQK-AVRDEDQJSA-N 2 2 367.537 3.537 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420364563 942640136 /nfs/dbraw/zinc/64/01/36/942640136.db2.gz PEQFADOBXSJGOW-HOTGVXAUSA-N 2 2 372.340 3.620 20 0 FHADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000420402202 942662119 /nfs/dbraw/zinc/66/21/19/942662119.db2.gz JWRSQQTZYYHJFT-AWEZNQCLSA-N 2 2 354.376 3.523 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(Cl)c1Cl ZINC000434470640 942690123 /nfs/dbraw/zinc/69/01/23/942690123.db2.gz OWRMILLEHYKBHJ-HYVNUMGLSA-N 2 2 357.325 3.719 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(Cl)c1Cl ZINC000434470640 942690128 /nfs/dbraw/zinc/69/01/28/942690128.db2.gz OWRMILLEHYKBHJ-HYVNUMGLSA-N 2 2 357.325 3.719 20 0 FHADLP c1c[nH]c([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCCC2)n1 ZINC000513755370 942747031 /nfs/dbraw/zinc/74/70/31/942747031.db2.gz RYBAPHSNQKIRAF-OAQYLSRUSA-N 2 2 368.525 3.653 20 0 FHADLP CCn1c(C)cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000434683519 942871906 /nfs/dbraw/zinc/87/19/06/942871906.db2.gz DNGYDFOQZCUKQL-UHFFFAOYSA-N 2 2 368.525 3.720 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899059 /nfs/dbraw/zinc/89/90/59/942899059.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 2 370.541 3.895 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899062 /nfs/dbraw/zinc/89/90/62/942899062.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 2 370.541 3.895 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899064 /nfs/dbraw/zinc/89/90/64/942899064.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 2 370.541 3.895 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)c2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000434730233 942899066 /nfs/dbraw/zinc/89/90/66/942899066.db2.gz YMAISNGMVRFDRW-ZWCUEREDSA-N 2 2 370.541 3.895 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312213697 942919027 /nfs/dbraw/zinc/91/90/27/942919027.db2.gz NAXUHPBDSFOYCH-SJLPKXTDSA-N 2 2 370.497 3.922 20 0 FHADLP C[C@@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312213695 942919116 /nfs/dbraw/zinc/91/91/16/942919116.db2.gz NAXUHPBDSFOYCH-AEFFLSMTSA-N 2 2 370.497 3.922 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738193 942931235 /nfs/dbraw/zinc/93/12/35/942931235.db2.gz RQFQNRAFRBEOLE-RCZSKKKRSA-N 2 2 354.542 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738193 942931249 /nfs/dbraw/zinc/93/12/49/942931249.db2.gz RQFQNRAFRBEOLE-RCZSKKKRSA-N 2 2 354.542 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738193 942931255 /nfs/dbraw/zinc/93/12/55/942931255.db2.gz RQFQNRAFRBEOLE-RCZSKKKRSA-N 2 2 354.542 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H](C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434738193 942931259 /nfs/dbraw/zinc/93/12/59/942931259.db2.gz RQFQNRAFRBEOLE-RCZSKKKRSA-N 2 2 354.542 3.929 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422003621 942934695 /nfs/dbraw/zinc/93/46/95/942934695.db2.gz DPLBJLIFZWDGSX-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000422003621 942934697 /nfs/dbraw/zinc/93/46/97/942934697.db2.gz DPLBJLIFZWDGSX-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP CC[C@H](CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1 ZINC000503048997 942938693 /nfs/dbraw/zinc/93/86/93/942938693.db2.gz XUKGZJCJFAYJSX-GOSISDBHSA-N 2 2 352.526 3.640 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)CC1 ZINC000422015564 942952002 /nfs/dbraw/zinc/95/20/02/942952002.db2.gz GYVIAIJRIRGBMH-HXUWFJFHSA-N 2 2 371.569 3.507 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)c3ccccc3C)CC2)CC1 ZINC000422015564 942952009 /nfs/dbraw/zinc/95/20/09/942952009.db2.gz GYVIAIJRIRGBMH-HXUWFJFHSA-N 2 2 371.569 3.507 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000513763545 942990657 /nfs/dbraw/zinc/99/06/57/942990657.db2.gz ZCDZFLLAZIXBOH-AWEZNQCLSA-N 2 2 355.463 3.630 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1)CC1CC1 ZINC000422204089 943046256 /nfs/dbraw/zinc/04/62/56/943046256.db2.gz ISDYSLIGTPIOQY-UHFFFAOYSA-N 2 2 372.557 3.742 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1)CC1CC1 ZINC000422204089 943046263 /nfs/dbraw/zinc/04/62/63/943046263.db2.gz ISDYSLIGTPIOQY-UHFFFAOYSA-N 2 2 372.557 3.742 20 0 FHADLP CC(C)[NH+](CCN(C)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000425247086 943051278 /nfs/dbraw/zinc/05/12/78/943051278.db2.gz NCVBGJMGMFWNFP-IBGZPJMESA-N 2 2 356.514 3.509 20 0 FHADLP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000435004272 943095325 /nfs/dbraw/zinc/09/53/25/943095325.db2.gz RAVQZYAIZNKRAC-QFBILLFUSA-N 2 2 354.498 3.635 20 0 FHADLP CCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000545912397 943130501 /nfs/dbraw/zinc/13/05/01/943130501.db2.gz QKIIBHQCZQMGSO-MRXNPFEDSA-N 2 2 364.555 3.867 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)COC2 ZINC000272314252 943134571 /nfs/dbraw/zinc/13/45/71/943134571.db2.gz UMXVZCJZQCBYBN-INIZCTEOSA-N 2 2 366.509 3.815 20 0 FHADLP COc1cccc2c1CC[C@@H]2Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272342781 943140392 /nfs/dbraw/zinc/14/03/92/943140392.db2.gz ZVXDZZGGAKTHCZ-FQEVSTJZSA-N 2 2 366.509 3.720 20 0 FHADLP Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503364656 943150462 /nfs/dbraw/zinc/15/04/62/943150462.db2.gz FNGILOLOGJYEIH-IBGZPJMESA-N 2 2 351.494 3.980 20 0 FHADLP Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503364656 943150466 /nfs/dbraw/zinc/15/04/66/943150466.db2.gz FNGILOLOGJYEIH-IBGZPJMESA-N 2 2 351.494 3.980 20 0 FHADLP CCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503411380 943168746 /nfs/dbraw/zinc/16/87/46/943168746.db2.gz OZMJBPMEKUGUQG-SFHVURJKSA-N 2 2 372.557 3.580 20 0 FHADLP CCN(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000503411380 943168751 /nfs/dbraw/zinc/16/87/51/943168751.db2.gz OZMJBPMEKUGUQG-SFHVURJKSA-N 2 2 372.557 3.580 20 0 FHADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413850 943171124 /nfs/dbraw/zinc/17/11/24/943171124.db2.gz VEGIFHCANDFUBY-OALUTQOASA-N 2 2 374.573 3.730 20 0 FHADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413850 943171125 /nfs/dbraw/zinc/17/11/25/943171125.db2.gz VEGIFHCANDFUBY-OALUTQOASA-N 2 2 374.573 3.730 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433426 943180736 /nfs/dbraw/zinc/18/07/36/943180736.db2.gz QICCWMNKVROZOY-MSOLQXFVSA-N 2 2 372.557 3.578 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433426 943180741 /nfs/dbraw/zinc/18/07/41/943180741.db2.gz QICCWMNKVROZOY-MSOLQXFVSA-N 2 2 372.557 3.578 20 0 FHADLP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437086 943183057 /nfs/dbraw/zinc/18/30/57/943183057.db2.gz WTIUXLVRURQLCN-GOSISDBHSA-N 2 2 367.493 3.680 20 0 FHADLP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437086 943183061 /nfs/dbraw/zinc/18/30/61/943183061.db2.gz WTIUXLVRURQLCN-GOSISDBHSA-N 2 2 367.493 3.680 20 0 FHADLP Fc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1 ZINC000272611357 943186709 /nfs/dbraw/zinc/18/67/09/943186709.db2.gz WFHBDFCWOMTQQB-OAHLLOKOSA-N 2 2 373.438 3.658 20 0 FHADLP C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272659342 943194424 /nfs/dbraw/zinc/19/44/24/943194424.db2.gz HIUXSFHEJMPANG-HNNXBMFYSA-N 2 2 353.495 3.648 20 0 FHADLP O[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000272843379 943231078 /nfs/dbraw/zinc/23/10/78/943231078.db2.gz IXVFEFZIRQVNCP-IBGZPJMESA-N 2 2 366.427 3.880 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422701070 943237753 /nfs/dbraw/zinc/23/77/53/943237753.db2.gz BEOLFMROKMCDPZ-CBGDNZLLSA-N 2 2 372.484 3.822 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000505629278 943240314 /nfs/dbraw/zinc/24/03/14/943240314.db2.gz HIAPTKPEWPZCPU-UTKZUKDTSA-N 2 2 362.477 3.602 20 0 FHADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738187 943251123 /nfs/dbraw/zinc/25/11/23/943251123.db2.gz VGWKESLSEGFGIT-XJKSGUPXSA-N 2 2 364.839 3.712 20 0 FHADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000514738187 943251130 /nfs/dbraw/zinc/25/11/30/943251130.db2.gz VGWKESLSEGFGIT-XJKSGUPXSA-N 2 2 364.839 3.712 20 0 FHADLP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425303727 943256991 /nfs/dbraw/zinc/25/69/91/943256991.db2.gz MXOQVIVSINCEDA-FQEVSTJZSA-N 2 2 368.525 3.656 20 0 FHADLP c1ccc(C(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422727659 943262675 /nfs/dbraw/zinc/26/26/75/943262675.db2.gz HTYWXBYELWGBRS-GOTSBHOMSA-N 2 2 350.506 3.565 20 0 FHADLP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425313319 943281680 /nfs/dbraw/zinc/28/16/80/943281680.db2.gz SGNSVXKIEKIDJB-HXUWFJFHSA-N 2 2 368.525 3.656 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422784428 943282347 /nfs/dbraw/zinc/28/23/47/943282347.db2.gz POOJTLUKBVXCKB-ZWOKBUDYSA-N 2 2 354.494 3.780 20 0 FHADLP Clc1ccccc1[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422787478 943283151 /nfs/dbraw/zinc/28/31/51/943283151.db2.gz MGJRIVFSYGPUIM-IIBYNOLFSA-N 2 2 372.896 3.932 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764326 943284921 /nfs/dbraw/zinc/28/49/21/943284921.db2.gz PWNHAOKXVUMNDT-KJGCVMFHSA-N 3 2 357.464 3.804 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764326 943284923 /nfs/dbraw/zinc/28/49/23/943284923.db2.gz PWNHAOKXVUMNDT-KJGCVMFHSA-N 3 2 357.464 3.804 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C(C)C)cc1OCC ZINC000422797848 943287310 /nfs/dbraw/zinc/28/73/10/943287310.db2.gz ORYQKTDHNBPNKO-PLMTUMEDSA-N 2 2 364.530 3.538 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2cccc3cccnc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422820577 943295813 /nfs/dbraw/zinc/29/58/13/943295813.db2.gz RIHUQCGZKKXRND-GGAORHGYSA-N 2 2 361.489 3.869 20 0 FHADLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1OCC(F)(F)F ZINC000422824682 943297224 /nfs/dbraw/zinc/29/72/24/943297224.db2.gz HVMVBBKISSZLBK-HZPDHXFCSA-N 2 2 366.383 3.871 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](c2cccnc2)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422830153 943298324 /nfs/dbraw/zinc/29/83/24/943298324.db2.gz IFLVZNFMSDFJEB-BDTNDASRSA-N 2 2 353.510 3.913 20 0 FHADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422836769 943301113 /nfs/dbraw/zinc/30/11/13/943301113.db2.gz RZSNZWASBXXLKP-CTNGQTDRSA-N 2 2 354.542 3.916 20 0 FHADLP C[C@H](NC1CC[NH+](CCC(F)(F)F)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000186323929 943302501 /nfs/dbraw/zinc/30/25/01/943302501.db2.gz LQQWQGBHGZGYAX-MAUKXSAKSA-N 2 2 357.464 3.684 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422853613 943306684 /nfs/dbraw/zinc/30/66/84/943306684.db2.gz ZKXDAARIFPGDEN-PMACEKPBSA-N 2 2 355.457 3.698 20 0 FHADLP CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1OC(F)F ZINC000422871996 943321259 /nfs/dbraw/zinc/32/12/59/943321259.db2.gz FGQICIVNDQVJAY-PBHICJAKSA-N 2 2 364.436 3.735 20 0 FHADLP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893166 943330121 /nfs/dbraw/zinc/33/01/21/943330121.db2.gz PDPVPCCHBZMOAX-QWRGUYRKSA-N 2 2 366.328 3.831 20 0 FHADLP COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422991016 943352136 /nfs/dbraw/zinc/35/21/36/943352136.db2.gz OZWRHMZVXKCWKW-BTYIYWSLSA-N 2 2 351.450 3.891 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423049485 943368921 /nfs/dbraw/zinc/36/89/21/943368921.db2.gz XTPXSIWXSCOOMF-BNEJOLLZSA-N 2 2 356.432 3.698 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391131 943377931 /nfs/dbraw/zinc/37/79/31/943377931.db2.gz RNOVUMKPFCCCDP-OEAKIKGJSA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391131 943377936 /nfs/dbraw/zinc/37/79/36/943377936.db2.gz RNOVUMKPFCCCDP-OEAKIKGJSA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435429756 943407909 /nfs/dbraw/zinc/40/79/09/943407909.db2.gz ZFAVZLPCXJMXQA-SFHVURJKSA-N 2 2 357.523 3.604 20 0 FHADLP COc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435429756 943407910 /nfs/dbraw/zinc/40/79/10/943407910.db2.gz ZFAVZLPCXJMXQA-SFHVURJKSA-N 2 2 357.523 3.604 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(SC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436182 943415212 /nfs/dbraw/zinc/41/52/12/943415212.db2.gz DUDFLINBTNTWDU-LJQANCHMSA-N 2 2 370.566 3.769 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(SC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436182 943415214 /nfs/dbraw/zinc/41/52/14/943415214.db2.gz DUDFLINBTNTWDU-LJQANCHMSA-N 2 2 370.566 3.769 20 0 FHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Br)ccc1F ZINC000423185546 943420388 /nfs/dbraw/zinc/42/03/88/943420388.db2.gz JNNBVFZOXFXSNW-CYBMUJFWSA-N 2 2 366.278 3.814 20 0 FHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000503941606 943427188 /nfs/dbraw/zinc/42/71/88/943427188.db2.gz KOMGNMNRBSYZMO-JQIJEIRASA-N 2 2 370.459 3.887 20 0 FHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000503941606 943427190 /nfs/dbraw/zinc/42/71/90/943427190.db2.gz KOMGNMNRBSYZMO-JQIJEIRASA-N 2 2 370.459 3.887 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1C(F)(F)F ZINC000423237999 943444212 /nfs/dbraw/zinc/44/42/12/943444212.db2.gz UQXFCIFBCREMJM-ZDUSSCGKSA-N 2 2 350.388 3.683 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC(F)(F)F ZINC000423239693 943444320 /nfs/dbraw/zinc/44/43/20/943444320.db2.gz WJPSBXRMCHKQEJ-CYBMUJFWSA-N 2 2 366.387 3.563 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239615 943444971 /nfs/dbraw/zinc/44/49/71/943444971.db2.gz BLSUCQWSYXQXFT-YVEFUNNKSA-N 2 2 351.263 3.809 20 0 FHADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(I)cc1 ZINC000423245223 943457555 /nfs/dbraw/zinc/45/75/55/943457555.db2.gz OGLOPQIFPATOIH-WBMJQRKESA-N 2 2 366.246 3.642 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000515039000 943466696 /nfs/dbraw/zinc/46/66/96/943466696.db2.gz WKBOBGQAUKXRHB-VAMGGRTRSA-N 2 2 367.541 3.709 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000515039000 943466699 /nfs/dbraw/zinc/46/66/99/943466699.db2.gz WKBOBGQAUKXRHB-VAMGGRTRSA-N 2 2 367.541 3.709 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)CCC2 ZINC000423334485 943482598 /nfs/dbraw/zinc/48/25/98/943482598.db2.gz OZRVHYQFEACBCE-YQVWRLOYSA-N 2 2 371.550 3.827 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CCC[NH2+]1 ZINC000423426113 943506946 /nfs/dbraw/zinc/50/69/46/943506946.db2.gz MRQPEIZAJWWHFN-YVEFUNNKSA-N 2 2 351.541 3.599 20 0 FHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423401981 943507438 /nfs/dbraw/zinc/50/74/38/943507438.db2.gz RCKRDWVVEQGIJG-JTSKRJEESA-N 2 2 361.489 3.871 20 0 FHADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423401986 943507547 /nfs/dbraw/zinc/50/75/47/943507547.db2.gz RCKRDWVVEQGIJG-VGSWGCGISA-N 2 2 361.489 3.871 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000423427888 943507622 /nfs/dbraw/zinc/50/76/22/943507622.db2.gz OBXJRWANVHIIGR-JTSKRJEESA-N 2 2 354.494 3.781 20 0 FHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660199178 943540394 /nfs/dbraw/zinc/54/03/94/943540394.db2.gz DOSGVTDHWTZDMO-XLIONFOSSA-N 2 2 356.510 3.714 20 0 FHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660199178 943540398 /nfs/dbraw/zinc/54/03/98/943540398.db2.gz DOSGVTDHWTZDMO-XLIONFOSSA-N 2 2 356.510 3.714 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423517116 943543533 /nfs/dbraw/zinc/54/35/33/943543533.db2.gz YOPSPQZKUZHEQH-QVKFZJNVSA-N 2 2 366.509 3.884 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCC3)cc1 ZINC000423552400 943555677 /nfs/dbraw/zinc/55/56/77/943555677.db2.gz JVMVRTVKOQBFHI-WBVHZDCISA-N 2 2 357.523 3.928 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423565677 943557696 /nfs/dbraw/zinc/55/76/96/943557696.db2.gz SVKQTUDCPWVSOQ-CGTJXYLNSA-N 2 2 350.478 3.566 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000435733726 943587514 /nfs/dbraw/zinc/58/75/14/943587514.db2.gz CTBXHGWTCBOZIF-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1cccc(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000435733726 943587515 /nfs/dbraw/zinc/58/75/15/943587515.db2.gz CTBXHGWTCBOZIF-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647934508 943749557 /nfs/dbraw/zinc/74/95/57/943749557.db2.gz HNFPAEPGTOEDKV-CSODHUTKSA-N 2 2 367.493 3.865 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647934508 943749559 /nfs/dbraw/zinc/74/95/59/943749559.db2.gz HNFPAEPGTOEDKV-CSODHUTKSA-N 2 2 367.493 3.865 20 0 FHADLP c1cn(Cc2ccc(C[NH2+][C@H](c3ccccc3)c3cncnc3)cc2)c[nH+]1 ZINC000516894524 943810310 /nfs/dbraw/zinc/81/03/10/943810310.db2.gz ILIPZJRCWUCEHQ-JOCHJYFZSA-N 2 2 355.445 3.601 20 0 FHADLP c1csc([C@@H](Cc2ccncc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000424273331 943829629 /nfs/dbraw/zinc/82/96/29/943829629.db2.gz WQDPCDHMKOKANJ-GOSISDBHSA-N 2 2 352.507 3.792 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cccc(C2CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000516927206 943834235 /nfs/dbraw/zinc/83/42/35/943834235.db2.gz CNPPSCZDRDUKAI-NRFANRHFSA-N 2 2 364.537 3.925 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cccc(C2CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000516927206 943834239 /nfs/dbraw/zinc/83/42/39/943834239.db2.gz CNPPSCZDRDUKAI-NRFANRHFSA-N 2 2 364.537 3.925 20 0 FHADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977868 943877384 /nfs/dbraw/zinc/87/73/84/943877384.db2.gz AINMNTDGELBPOQ-FUHWJXTLSA-N 2 2 361.555 3.732 20 0 FHADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977868 943877391 /nfs/dbraw/zinc/87/73/91/943877391.db2.gz AINMNTDGELBPOQ-FUHWJXTLSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977868 943877399 /nfs/dbraw/zinc/87/73/99/943877399.db2.gz AINMNTDGELBPOQ-FUHWJXTLSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977868 943877411 /nfs/dbraw/zinc/87/74/11/943877411.db2.gz AINMNTDGELBPOQ-FUHWJXTLSA-N 2 2 361.555 3.732 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000414876203 943916174 /nfs/dbraw/zinc/91/61/74/943916174.db2.gz CXUHNLFGPJLAOX-UYAOXDASSA-N 2 2 367.518 3.849 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CCC([N@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676260 943932093 /nfs/dbraw/zinc/93/20/93/943932093.db2.gz FRUWXFQJJFDVBT-KBWCOIMZSA-N 3 2 352.526 3.539 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc3ccccc3)CC1)C2 ZINC000366676260 943932096 /nfs/dbraw/zinc/93/20/96/943932096.db2.gz FRUWXFQJJFDVBT-KBWCOIMZSA-N 3 2 352.526 3.539 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877227 943991116 /nfs/dbraw/zinc/99/11/16/943991116.db2.gz FSEXXRCQTQBHRO-MOPGFXCFSA-N 2 2 372.534 3.661 20 0 FHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414802595 944015657 /nfs/dbraw/zinc/01/56/57/944015657.db2.gz KTIGQYHCLPHSMY-UHFFFAOYSA-N 2 2 365.319 3.585 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1 ZINC000414878856 944033820 /nfs/dbraw/zinc/03/38/20/944033820.db2.gz HUFCQGQLGUOCQN-FCHUYYIVSA-N 2 2 361.489 3.787 20 0 FHADLP CC[C@@H](C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[NH+](CC)CC ZINC000436177235 944089889 /nfs/dbraw/zinc/08/98/89/944089889.db2.gz SDXKDBODMZDVTJ-IBGZPJMESA-N 2 2 354.498 3.945 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000436251772 944145470 /nfs/dbraw/zinc/14/54/70/944145470.db2.gz JZJYCYFITPJPQG-IBGZPJMESA-N 2 2 352.507 3.892 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000436251772 944145473 /nfs/dbraw/zinc/14/54/73/944145473.db2.gz JZJYCYFITPJPQG-IBGZPJMESA-N 2 2 352.507 3.892 20 0 FHADLP C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000517263502 944166030 /nfs/dbraw/zinc/16/60/30/944166030.db2.gz NVYKTQDPWLXWRP-KSFYIVLOSA-N 2 2 354.469 3.944 20 0 FHADLP C[N@H+](Cc1cc2ccccc2o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425915792 944169093 /nfs/dbraw/zinc/16/90/93/944169093.db2.gz DXJZYZZXUODAAN-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[N@@H+](Cc1cc2ccccc2o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425915792 944169096 /nfs/dbraw/zinc/16/90/96/944169096.db2.gz DXJZYZZXUODAAN-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1cc2ccccc2o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425915792 944169098 /nfs/dbraw/zinc/16/90/98/944169098.db2.gz DXJZYZZXUODAAN-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1cc2ccccc2o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425915792 944169100 /nfs/dbraw/zinc/16/91/00/944169100.db2.gz DXJZYZZXUODAAN-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)C2 ZINC000425950495 944363935 /nfs/dbraw/zinc/36/39/35/944363935.db2.gz AEUJZYXJYPKPNC-QGZVFWFLSA-N 2 2 351.425 3.667 20 0 FHADLP CCc1nnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837878 944390742 /nfs/dbraw/zinc/39/07/42/944390742.db2.gz LXUTZWTWQAEFCD-NRFANRHFSA-N 2 2 368.525 3.755 20 0 FHADLP CCc1nnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837878 944390746 /nfs/dbraw/zinc/39/07/46/944390746.db2.gz LXUTZWTWQAEFCD-NRFANRHFSA-N 2 2 368.525 3.755 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000398111353 944492832 /nfs/dbraw/zinc/49/28/32/944492832.db2.gz DEXMLDQCSOIZHA-KXBFYZLASA-N 2 2 357.429 3.734 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000398111353 944492835 /nfs/dbraw/zinc/49/28/35/944492835.db2.gz DEXMLDQCSOIZHA-KXBFYZLASA-N 2 2 357.429 3.734 20 0 FHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390611079 944558644 /nfs/dbraw/zinc/55/86/44/944558644.db2.gz WWXXPKASCOVDTR-WMZOPIPTSA-N 2 2 358.448 3.988 20 0 FHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390611079 944558652 /nfs/dbraw/zinc/55/86/52/944558652.db2.gz WWXXPKASCOVDTR-WMZOPIPTSA-N 2 2 358.448 3.988 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000518683915 944595291 /nfs/dbraw/zinc/59/52/91/944595291.db2.gz FIWKGPCZTYZOFC-TXPKVOOTSA-N 2 2 356.466 3.627 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000518683915 944595299 /nfs/dbraw/zinc/59/52/99/944595299.db2.gz FIWKGPCZTYZOFC-TXPKVOOTSA-N 2 2 356.466 3.627 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000518683914 944595707 /nfs/dbraw/zinc/59/57/07/944595707.db2.gz FIWKGPCZTYZOFC-JTDSTZFVSA-N 2 2 356.466 3.627 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000518683914 944595710 /nfs/dbraw/zinc/59/57/10/944595710.db2.gz FIWKGPCZTYZOFC-JTDSTZFVSA-N 2 2 356.466 3.627 20 0 FHADLP COc1cc(C[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)ccc1OCc1ccncc1 ZINC000414931345 944636386 /nfs/dbraw/zinc/63/63/86/944636386.db2.gz RFAFCXNZXXARLP-NRFANRHFSA-N 2 2 369.509 3.537 20 0 FHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390681491 944710234 /nfs/dbraw/zinc/71/02/34/944710234.db2.gz VZAWMRGIEJBLTD-OFNKIYASSA-N 2 2 352.522 3.888 20 0 FHADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390681491 944710239 /nfs/dbraw/zinc/71/02/39/944710239.db2.gz VZAWMRGIEJBLTD-OFNKIYASSA-N 2 2 352.522 3.888 20 0 FHADLP CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000518768067 944719867 /nfs/dbraw/zinc/71/98/67/944719867.db2.gz CCHKRXNENNKFID-OAQYLSRUSA-N 2 2 366.505 3.630 20 0 FHADLP CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000518768067 944719874 /nfs/dbraw/zinc/71/98/74/944719874.db2.gz CCHKRXNENNKFID-OAQYLSRUSA-N 2 2 366.505 3.630 20 0 FHADLP C[N@H+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984350 944862559 /nfs/dbraw/zinc/86/25/59/944862559.db2.gz NJXRFRUALOASOB-XYPWUTKMSA-N 2 2 353.432 3.938 20 0 FHADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167984350 944862566 /nfs/dbraw/zinc/86/25/66/944862566.db2.gz NJXRFRUALOASOB-XYPWUTKMSA-N 2 2 353.432 3.938 20 0 FHADLP C[NH+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167984350 944862573 /nfs/dbraw/zinc/86/25/73/944862573.db2.gz NJXRFRUALOASOB-XYPWUTKMSA-N 2 2 353.432 3.938 20 0 FHADLP C[NH+](Cc1ncccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167984350 944862583 /nfs/dbraw/zinc/86/25/83/944862583.db2.gz NJXRFRUALOASOB-XYPWUTKMSA-N 2 2 353.432 3.938 20 0 FHADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441675 944864194 /nfs/dbraw/zinc/86/41/94/944864194.db2.gz ACCLMNPLEAAIBJ-TZIWHRDSSA-N 2 2 352.526 3.763 20 0 FHADLP Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441675 944864205 /nfs/dbraw/zinc/86/42/05/944864205.db2.gz ACCLMNPLEAAIBJ-TZIWHRDSSA-N 2 2 352.526 3.763 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)Cc1ccccc1 ZINC000518917628 944937307 /nfs/dbraw/zinc/93/73/07/944937307.db2.gz ZMIMXYDVZMGJCT-VSKRKVRLSA-N 2 2 368.569 3.989 20 0 FHADLP COc1ccc2c(c1)CC[N@@H+](Cc1nc3c(s1)C[NH+](C(C)C)CC3)CC2 ZINC000439779904 944963177 /nfs/dbraw/zinc/96/31/77/944963177.db2.gz HLXLTVLBCRAJRB-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1ccc2c(c1)CC[N@H+](Cc1nc3c(s1)C[NH+](C(C)C)CC3)CC2 ZINC000439779904 944963185 /nfs/dbraw/zinc/96/31/85/944963185.db2.gz HLXLTVLBCRAJRB-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1ccc2c(c1)CC[NH+](Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)CC2 ZINC000439779904 944963189 /nfs/dbraw/zinc/96/31/89/944963189.db2.gz HLXLTVLBCRAJRB-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1ccc2c(c1)CC[NH+](Cc1nc3c(s1)C[N@H+](C(C)C)CC3)CC2 ZINC000439779904 944963196 /nfs/dbraw/zinc/96/31/96/944963196.db2.gz HLXLTVLBCRAJRB-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000187474316 945006406 /nfs/dbraw/zinc/00/64/06/945006406.db2.gz LXHBUAJUKKPJGY-DENIHFKCSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cn2)cc1 ZINC000187474316 945006414 /nfs/dbraw/zinc/00/64/14/945006414.db2.gz LXHBUAJUKKPJGY-DENIHFKCSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2)cc1 ZINC000187474316 945006423 /nfs/dbraw/zinc/00/64/23/945006423.db2.gz LXHBUAJUKKPJGY-DENIHFKCSA-N 2 2 368.500 3.519 20 0 FHADLP Fc1ccc(Cn2cc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000187474316 945006434 /nfs/dbraw/zinc/00/64/34/945006434.db2.gz LXHBUAJUKKPJGY-DENIHFKCSA-N 2 2 368.500 3.519 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc([C@H](C)C(F)(F)F)cc2)CC1 ZINC000660697547 945401143 /nfs/dbraw/zinc/40/11/43/945401143.db2.gz HQKAYVTVPLSXGE-INIZCTEOSA-N 2 2 372.475 3.925 20 0 FHADLP C[C@H]1CC([N@@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065970 945796505 /nfs/dbraw/zinc/79/65/05/945796505.db2.gz ZJERXXVHNZHNHH-ZENYQMPMSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@H]1CC([N@H+]2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065970 945796511 /nfs/dbraw/zinc/79/65/11/945796511.db2.gz ZJERXXVHNZHNHH-ZENYQMPMSA-N 2 2 368.443 3.832 20 0 FHADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000800223540 945805203 /nfs/dbraw/zinc/80/52/03/945805203.db2.gz FXGKVKBSAKVPJW-UHFFFAOYSA-N 2 2 368.547 3.843 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3cncc(F)c3)C3CC3)[nH+]c2)CC1 ZINC000281690883 945806356 /nfs/dbraw/zinc/80/63/56/945806356.db2.gz SCBMBAVHXMOLOI-OAQYLSRUSA-N 2 2 369.488 3.709 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)n2c1CCCC2 ZINC000281937570 945950942 /nfs/dbraw/zinc/95/09/42/945950942.db2.gz DSXPCJXDUZTVIE-QGZVFWFLSA-N 2 2 363.465 3.649 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)n2c1CCCC2 ZINC000281937570 945950950 /nfs/dbraw/zinc/95/09/50/945950950.db2.gz DSXPCJXDUZTVIE-QGZVFWFLSA-N 2 2 363.465 3.649 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209158 946070553 /nfs/dbraw/zinc/07/05/53/946070553.db2.gz BOMNZGXHNKQSNG-IRLDBZIGSA-N 2 2 371.569 3.620 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444209158 946070561 /nfs/dbraw/zinc/07/05/61/946070561.db2.gz BOMNZGXHNKQSNG-IRLDBZIGSA-N 2 2 371.569 3.620 20 0 FHADLP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076413 946110234 /nfs/dbraw/zinc/11/02/34/946110234.db2.gz HKBVQFFTDXOSFJ-FPOVZHCZSA-N 2 2 350.510 3.838 20 0 FHADLP CCc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076413 946110237 /nfs/dbraw/zinc/11/02/37/946110237.db2.gz HKBVQFFTDXOSFJ-FPOVZHCZSA-N 2 2 350.510 3.838 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000520234904 946295996 /nfs/dbraw/zinc/29/59/96/946295996.db2.gz ITQWFMMZYRGVRS-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000520234904 946296005 /nfs/dbraw/zinc/29/60/05/946296005.db2.gz ITQWFMMZYRGVRS-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)cc1 ZINC000112628263 946705674 /nfs/dbraw/zinc/70/56/74/946705674.db2.gz UVFRKNUGXQGBFQ-NRFANRHFSA-N 2 2 362.477 3.522 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168074953 946771122 /nfs/dbraw/zinc/77/11/22/946771122.db2.gz MABMDSQQBQXJCF-KDOFPFPSSA-N 2 2 356.432 3.827 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC(=O)CC ZINC000840917899 946771313 /nfs/dbraw/zinc/77/13/13/946771313.db2.gz VDUCREZIZHNUCL-IBGZPJMESA-N 2 2 374.525 3.709 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OC(=O)CC ZINC000840917899 946771316 /nfs/dbraw/zinc/77/13/16/946771316.db2.gz VDUCREZIZHNUCL-IBGZPJMESA-N 2 2 374.525 3.709 20 0 FHADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccccn2)CC1 ZINC000123187239 946779207 /nfs/dbraw/zinc/77/92/07/946779207.db2.gz BOOZFWHZVZDGKP-UHFFFAOYSA-N 2 2 372.394 3.971 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCC([C@H]4CCCCO4)CC3)C2)cc1 ZINC000661864848 946791270 /nfs/dbraw/zinc/79/12/70/946791270.db2.gz DLCWRQJTZVVWOL-XZOQPEGZSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCC([C@H]4CCCCO4)CC3)C2)cc1 ZINC000661864848 946791278 /nfs/dbraw/zinc/79/12/78/946791278.db2.gz DLCWRQJTZVVWOL-XZOQPEGZSA-N 2 2 372.553 3.559 20 0 FHADLP Cn1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000475285295 946822729 /nfs/dbraw/zinc/82/27/29/946822729.db2.gz YUXCNJITVVCACD-KRWDZBQOSA-N 2 2 368.912 3.838 20 0 FHADLP Cn1c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2ccc(Cl)cc21 ZINC000475285295 946822741 /nfs/dbraw/zinc/82/27/41/946822741.db2.gz YUXCNJITVVCACD-KRWDZBQOSA-N 2 2 368.912 3.838 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599672 946882365 /nfs/dbraw/zinc/88/23/65/946882365.db2.gz ZFIDHRBMANRKNF-APZTZJSISA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182599672 946882373 /nfs/dbraw/zinc/88/23/73/946882373.db2.gz ZFIDHRBMANRKNF-APZTZJSISA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599672 946882381 /nfs/dbraw/zinc/88/23/81/946882381.db2.gz ZFIDHRBMANRKNF-APZTZJSISA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182599672 946882391 /nfs/dbraw/zinc/88/23/91/946882391.db2.gz ZFIDHRBMANRKNF-APZTZJSISA-N 2 2 363.496 3.659 20 0 FHADLP Cc1ccc([C@]2(C)C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001167995015 946891748 /nfs/dbraw/zinc/89/17/48/946891748.db2.gz UDUVXDDQOUAIGB-KORDQABASA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@]2(C)C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001167995015 946891759 /nfs/dbraw/zinc/89/17/59/946891759.db2.gz UDUVXDDQOUAIGB-KORDQABASA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCO2)cc1 ZINC001167995015 946891769 /nfs/dbraw/zinc/89/17/69/946891769.db2.gz UDUVXDDQOUAIGB-KORDQABASA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001167995015 946891783 /nfs/dbraw/zinc/89/17/83/946891783.db2.gz UDUVXDDQOUAIGB-KORDQABASA-N 2 2 354.538 3.948 20 0 FHADLP COc1cccc([C@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000301217085 947237428 /nfs/dbraw/zinc/23/74/28/947237428.db2.gz ZLXXOZZMIHMCET-KRWDZBQOSA-N 2 2 354.498 3.800 20 0 FHADLP Fc1ccc2c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301249334 947250039 /nfs/dbraw/zinc/25/00/39/947250039.db2.gz IQURJFMLFMCNQW-OAQYLSRUSA-N 2 2 351.425 3.859 20 0 FHADLP CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1 ZINC000523419786 947251365 /nfs/dbraw/zinc/25/13/65/947251365.db2.gz UNDUFUYRYDTLJF-UHFFFAOYSA-N 2 2 365.481 3.806 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000367168351 947296962 /nfs/dbraw/zinc/29/69/62/947296962.db2.gz QCRADBXQZCMFMC-FQEVSTJZSA-N 2 2 356.420 3.976 20 0 FHADLP Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301363556 947307775 /nfs/dbraw/zinc/30/77/75/947307775.db2.gz PNGRKMJAXJUPNE-UHFFFAOYSA-N 2 2 370.403 3.866 20 0 FHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000475620307 947476914 /nfs/dbraw/zinc/47/69/14/947476914.db2.gz WHUWMLCBTQDVBW-UHFFFAOYSA-N 2 2 372.519 3.597 20 0 FHADLP CSCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000188714430 947519421 /nfs/dbraw/zinc/51/94/21/947519421.db2.gz SDDYIQNADXGFQX-UTKZUKDTSA-N 2 2 355.551 3.945 20 0 FHADLP CSCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000188714430 947519426 /nfs/dbraw/zinc/51/94/26/947519426.db2.gz SDDYIQNADXGFQX-UTKZUKDTSA-N 2 2 355.551 3.945 20 0 FHADLP Clc1cc(Br)cnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662296373 947723024 /nfs/dbraw/zinc/72/30/24/947723024.db2.gz YZPHACUIIGMVMP-ZDUSSCGKSA-N 2 2 372.738 3.709 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805443 /nfs/dbraw/zinc/80/54/43/947805443.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805452 /nfs/dbraw/zinc/80/54/52/947805452.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805462 /nfs/dbraw/zinc/80/54/62/947805462.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344048 947805472 /nfs/dbraw/zinc/80/54/72/947805472.db2.gz MZDBCLPOUPWPIM-DHIUTWEWSA-N 3 2 367.581 3.895 20 0 FHADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000106276290 948127746 /nfs/dbraw/zinc/12/77/46/948127746.db2.gz ZFOKVOBWACHIBV-NRFANRHFSA-N 2 2 353.510 3.851 20 0 FHADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000106276290 948127752 /nfs/dbraw/zinc/12/77/52/948127752.db2.gz ZFOKVOBWACHIBV-NRFANRHFSA-N 2 2 353.510 3.851 20 0 FHADLP COc1ccc2oc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)c(C)c2c1 ZINC000432411971 948360215 /nfs/dbraw/zinc/36/02/15/948360215.db2.gz DAMYXXZVIPXJSQ-RDJZCZTQSA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc2oc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)c(C)c2c1 ZINC000432411971 948360224 /nfs/dbraw/zinc/36/02/24/948360224.db2.gz DAMYXXZVIPXJSQ-RDJZCZTQSA-N 2 2 360.498 3.901 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1F ZINC000432415110 948364329 /nfs/dbraw/zinc/36/43/29/948364329.db2.gz MTLGEMGDAQLRAK-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)cc1F ZINC000432415110 948364335 /nfs/dbraw/zinc/36/43/35/948364335.db2.gz MTLGEMGDAQLRAK-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1F ZINC000432415109 948364427 /nfs/dbraw/zinc/36/44/27/948364427.db2.gz MTLGEMGDAQLRAK-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)cc1F ZINC000432415109 948364436 /nfs/dbraw/zinc/36/44/36/948364436.db2.gz MTLGEMGDAQLRAK-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069873 948494329 /nfs/dbraw/zinc/49/43/29/948494329.db2.gz BYVPSUYOBIYOFY-HOTGVXAUSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069873 948494333 /nfs/dbraw/zinc/49/43/33/948494333.db2.gz BYVPSUYOBIYOFY-HOTGVXAUSA-N 2 2 370.324 3.929 20 0 FHADLP CC[NH+]1CCN(c2ccc(CNc3[nH+]ccc4cc(F)ccc43)cn2)CC1 ZINC000516054394 517549764 /nfs/dbraw/zinc/54/97/64/517549764.db2.gz JMZOEHRJCKNGQJ-UHFFFAOYSA-N 2 2 365.456 3.523 20 0 FHADLP Brc1cncc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000185835792 567868394 /nfs/dbraw/zinc/86/83/94/567868394.db2.gz AILBTLFPILCRSP-GOSISDBHSA-N 2 2 360.299 3.598 20 0 FHADLP Brc1cncc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000185835792 567868396 /nfs/dbraw/zinc/86/83/96/567868396.db2.gz AILBTLFPILCRSP-GOSISDBHSA-N 2 2 360.299 3.598 20 0 FHADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000521408181 567884103 /nfs/dbraw/zinc/88/41/03/567884103.db2.gz UUZABDIYAQCFCT-LEWJYISDSA-N 2 2 373.460 3.537 20 0 FHADLP CCOc1ccccc1C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051426414 567895427 /nfs/dbraw/zinc/89/54/27/567895427.db2.gz JEOQRHPRLNBVBU-IBGZPJMESA-N 2 2 367.493 3.545 20 0 FHADLP CCOc1ccccc1C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051426414 567895428 /nfs/dbraw/zinc/89/54/28/567895428.db2.gz JEOQRHPRLNBVBU-IBGZPJMESA-N 2 2 367.493 3.545 20 0 FHADLP CSc1cccc(N(C(=O)CCCn2cc[nH+]c2)C2CC[NH+](C)CC2)c1 ZINC000601981878 567895645 /nfs/dbraw/zinc/89/56/45/567895645.db2.gz QNVBJLLPIRAXIA-UHFFFAOYSA-N 2 2 372.538 3.513 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000602656788 568006399 /nfs/dbraw/zinc/00/63/99/568006399.db2.gz NNMLQAYIFVRSLJ-VQIMIIECSA-N 2 2 354.450 3.524 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)o1 ZINC000602656788 568006400 /nfs/dbraw/zinc/00/64/00/568006400.db2.gz NNMLQAYIFVRSLJ-VQIMIIECSA-N 2 2 354.450 3.524 20 0 FHADLP CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603874148 568174614 /nfs/dbraw/zinc/17/46/14/568174614.db2.gz YGIMFYPNRVMIDW-PZJWPPBQSA-N 2 2 363.590 3.610 20 0 FHADLP CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603874148 568174615 /nfs/dbraw/zinc/17/46/15/568174615.db2.gz YGIMFYPNRVMIDW-PZJWPPBQSA-N 2 2 363.590 3.610 20 0 FHADLP C[C@H](C[NH2+][C@H](C)c1ncc(Br)cc1F)C[NH+]1CCCCC1 ZINC000187033361 568232952 /nfs/dbraw/zinc/23/29/52/568232952.db2.gz NTQOCWRWCBRQRE-CHWSQXEVSA-N 2 2 358.299 3.756 20 0 FHADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242033 568241809 /nfs/dbraw/zinc/24/18/09/568241809.db2.gz RTEGDLVZBVLFOH-IEBWSBKVSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242033 568241810 /nfs/dbraw/zinc/24/18/10/568241810.db2.gz RTEGDLVZBVLFOH-IEBWSBKVSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242034 568241879 /nfs/dbraw/zinc/24/18/79/568241879.db2.gz RTEGDLVZBVLFOH-MJGOQNOKSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242034 568241880 /nfs/dbraw/zinc/24/18/80/568241880.db2.gz RTEGDLVZBVLFOH-MJGOQNOKSA-N 2 2 372.538 3.642 20 0 FHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000604299976 568245092 /nfs/dbraw/zinc/24/50/92/568245092.db2.gz XLIILXMCRKGPIX-UHFFFAOYSA-N 2 2 374.444 3.610 20 0 FHADLP Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1Oc1cc[nH+]cc1 ZINC000604312099 568248579 /nfs/dbraw/zinc/24/85/79/568248579.db2.gz FDROKLHGIJOVFQ-UHFFFAOYSA-N 2 2 353.466 3.788 20 0 FHADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604330772 568250850 /nfs/dbraw/zinc/25/08/50/568250850.db2.gz AEWVEAAVSIZYIE-GOSISDBHSA-N 2 2 353.466 3.787 20 0 FHADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604330772 568250851 /nfs/dbraw/zinc/25/08/51/568250851.db2.gz AEWVEAAVSIZYIE-GOSISDBHSA-N 2 2 353.466 3.787 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](c4ccccc4)C[C@H]3C)c2cc1C ZINC000604392980 568283058 /nfs/dbraw/zinc/28/30/58/568283058.db2.gz PGSDYJSXSOKWIP-HLAWJBBLSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](c4ccccc4)C[C@H]3C)c2cc1C ZINC000604392980 568283059 /nfs/dbraw/zinc/28/30/59/568283059.db2.gz PGSDYJSXSOKWIP-HLAWJBBLSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000365234557 568345143 /nfs/dbraw/zinc/34/51/43/568345143.db2.gz OIHFMBAKYHVJES-HXUWFJFHSA-N 2 2 364.497 3.765 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1nncn1CC(C)C ZINC000365234557 568345144 /nfs/dbraw/zinc/34/51/44/568345144.db2.gz OIHFMBAKYHVJES-HXUWFJFHSA-N 2 2 364.497 3.765 20 0 FHADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313597 568484494 /nfs/dbraw/zinc/48/44/94/568484494.db2.gz CHCUMMJPECKCAV-LEWJYISDSA-N 2 2 357.542 3.717 20 0 FHADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313597 568484496 /nfs/dbraw/zinc/48/44/96/568484496.db2.gz CHCUMMJPECKCAV-LEWJYISDSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313597 568484498 /nfs/dbraw/zinc/48/44/98/568484498.db2.gz CHCUMMJPECKCAV-LEWJYISDSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C1 ZINC000365313597 568484499 /nfs/dbraw/zinc/48/44/99/568484499.db2.gz CHCUMMJPECKCAV-LEWJYISDSA-N 2 2 357.542 3.717 20 0 FHADLP Fc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000365333580 568516053 /nfs/dbraw/zinc/51/60/53/568516053.db2.gz XSZZUYIVONUAFW-LBPRGKRZSA-N 2 2 361.288 3.723 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000182055180 568712098 /nfs/dbraw/zinc/71/20/98/568712098.db2.gz AIGSVHWAPXJQNK-SEVLPDGMSA-N 2 2 355.526 3.544 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028967 721819871 /nfs/dbraw/zinc/81/98/71/721819871.db2.gz YFMBYJJOUMZKHC-DFQSSKMNSA-N 2 2 366.509 3.531 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028967 721819875 /nfs/dbraw/zinc/81/98/75/721819875.db2.gz YFMBYJJOUMZKHC-DFQSSKMNSA-N 2 2 366.509 3.531 20 0 FHADLP CCc1cc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995069 722204475 /nfs/dbraw/zinc/20/44/75/722204475.db2.gz KXWXRGVWWVWEDQ-OAQYLSRUSA-N 2 2 354.473 3.731 20 0 FHADLP CCc1cc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995069 722204478 /nfs/dbraw/zinc/20/44/78/722204478.db2.gz KXWXRGVWWVWEDQ-OAQYLSRUSA-N 2 2 354.473 3.731 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000583051164 937080278 /nfs/dbraw/zinc/08/02/78/937080278.db2.gz CIRAEOPLXKDZIB-WMZHIEFXSA-N 2 2 360.505 3.684 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000583329735 927135133 /nfs/dbraw/zinc/13/51/33/927135133.db2.gz ADNGCVWJNMEZQW-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000583329735 927135139 /nfs/dbraw/zinc/13/51/39/927135139.db2.gz ADNGCVWJNMEZQW-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000579749324 927284513 /nfs/dbraw/zinc/28/45/13/927284513.db2.gz QMWIEUWBRAEQNL-KSFYIVLOSA-N 2 2 354.469 3.944 20 0 FHADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000067267475 928459912 /nfs/dbraw/zinc/45/99/12/928459912.db2.gz FJMHLDSLYVZEGU-FQEVSTJZSA-N 2 2 363.465 3.597 20 0 FHADLP CCC(CC)[N@H+](C[C@H](C)C(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208720586 928519334 /nfs/dbraw/zinc/51/93/34/928519334.db2.gz GYNFFYOIFBWJOE-SFHVURJKSA-N 2 2 360.542 3.951 20 0 FHADLP CCC(CC)[N@@H+](C[C@H](C)C(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208720586 928519341 /nfs/dbraw/zinc/51/93/41/928519341.db2.gz GYNFFYOIFBWJOE-SFHVURJKSA-N 2 2 360.542 3.951 20 0 FHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000547696222 928555789 /nfs/dbraw/zinc/55/57/89/928555789.db2.gz VQWASGVJMAKZHC-SFHVURJKSA-N 2 2 367.522 3.506 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccc3[nH]cnc3c1)CC2 ZINC000547696222 928555795 /nfs/dbraw/zinc/55/57/95/928555795.db2.gz VQWASGVJMAKZHC-SFHVURJKSA-N 2 2 367.522 3.506 20 0 FHADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000274829324 928832500 /nfs/dbraw/zinc/83/25/00/928832500.db2.gz UAQDOTKUJHJGBI-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(C)o1 ZINC000180169749 929412629 /nfs/dbraw/zinc/41/26/29/929412629.db2.gz AJPFRMMWPHSZON-BURNTYAHSA-N 2 2 354.494 3.776 20 0 FHADLP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(C)o1 ZINC000180169749 929412631 /nfs/dbraw/zinc/41/26/31/929412631.db2.gz AJPFRMMWPHSZON-BURNTYAHSA-N 2 2 354.494 3.776 20 0 FHADLP O[C@]1(C[NH2+]Cc2cccc(Cl)c2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000525461562 929678612 /nfs/dbraw/zinc/67/86/12/929678612.db2.gz YXMOYEGDNBIPNI-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP O[C@]1(C[NH2+]Cc2cccc(Cl)c2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461562 929678616 /nfs/dbraw/zinc/67/86/16/929678616.db2.gz YXMOYEGDNBIPNI-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP CCSc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000471472170 929843887 /nfs/dbraw/zinc/84/38/87/929843887.db2.gz QRHAVGSZTASWSK-UHFFFAOYSA-N 2 2 370.566 3.758 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)CC3 ZINC000123226835 929938692 /nfs/dbraw/zinc/93/86/92/929938692.db2.gz JSHFSDCMAZOKHH-CVEARBPZSA-N 2 2 353.510 3.640 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)CC3 ZINC000123226835 929938703 /nfs/dbraw/zinc/93/87/03/929938703.db2.gz JSHFSDCMAZOKHH-CVEARBPZSA-N 2 2 353.510 3.640 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)CC3 ZINC000123226547 929941045 /nfs/dbraw/zinc/94/10/45/929941045.db2.gz JSHFSDCMAZOKHH-HZPDHXFCSA-N 2 2 353.510 3.640 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)CC3 ZINC000123226547 929941049 /nfs/dbraw/zinc/94/10/49/929941049.db2.gz JSHFSDCMAZOKHH-HZPDHXFCSA-N 2 2 353.510 3.640 20 0 FHADLP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@@H]([NH+]4CCCC4)CC3)n2)C1 ZINC000656127677 930302522 /nfs/dbraw/zinc/30/25/22/930302522.db2.gz VZBDDOSXZXEPLL-GOSISDBHSA-N 2 2 357.546 3.558 20 0 FHADLP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000312735751 930367272 /nfs/dbraw/zinc/36/72/72/930367272.db2.gz WWPCZDUQWIPEEY-XMMPIXPASA-N 2 2 363.549 3.558 20 0 FHADLP CC(C)N(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000583402560 937411125 /nfs/dbraw/zinc/41/11/25/937411125.db2.gz KOVNRUWPIXWOLW-UHFFFAOYSA-N 2 2 368.525 3.817 20 0 FHADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1nc(Br)cs1 ZINC000834526756 930540364 /nfs/dbraw/zinc/54/03/64/930540364.db2.gz OMLLRRWTHCRIOL-WDEREUQCSA-N 2 2 357.321 3.868 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000656262386 930945360 /nfs/dbraw/zinc/94/53/60/930945360.db2.gz TYDIBGJORNYQOR-JWTNVVGKSA-N 2 2 358.917 3.891 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000656262386 930945366 /nfs/dbraw/zinc/94/53/66/930945366.db2.gz TYDIBGJORNYQOR-JWTNVVGKSA-N 2 2 358.917 3.891 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000656262386 930945370 /nfs/dbraw/zinc/94/53/70/930945370.db2.gz TYDIBGJORNYQOR-JWTNVVGKSA-N 2 2 358.917 3.891 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000656262386 930945375 /nfs/dbraw/zinc/94/53/75/930945375.db2.gz TYDIBGJORNYQOR-JWTNVVGKSA-N 2 2 358.917 3.891 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001167442105 931461990 /nfs/dbraw/zinc/46/19/90/931461990.db2.gz BDGSBLKVXFTWIP-VXKWHMMOSA-N 2 2 374.569 3.934 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001167442105 931461999 /nfs/dbraw/zinc/46/19/99/931461999.db2.gz BDGSBLKVXFTWIP-VXKWHMMOSA-N 2 2 374.569 3.934 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000581038511 931513210 /nfs/dbraw/zinc/51/32/10/931513210.db2.gz MKVSCOSUPFONOZ-UYAOXDASSA-N 2 2 362.521 3.882 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000581038511 931513214 /nfs/dbraw/zinc/51/32/14/931513214.db2.gz MKVSCOSUPFONOZ-UYAOXDASSA-N 2 2 362.521 3.882 20 0 FHADLP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090714761 931575930 /nfs/dbraw/zinc/57/59/30/931575930.db2.gz BNWJQJWXKLQGFW-JKSUJKDBSA-N 2 2 358.486 3.684 20 0 FHADLP COc1ccc(C[NH+](CCc2c[nH+]cn2C)Cc2ccc(OC)cc2)cc1 ZINC000656431990 931709569 /nfs/dbraw/zinc/70/95/69/931709569.db2.gz ZZWBOCSSJQANFE-UHFFFAOYSA-N 2 2 365.477 3.682 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000430553037 931811658 /nfs/dbraw/zinc/81/16/58/931811658.db2.gz SSDRYQYMUQQXPK-OBJOEFQTSA-N 2 2 368.403 3.876 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000430553037 931811665 /nfs/dbraw/zinc/81/16/65/931811665.db2.gz SSDRYQYMUQQXPK-OBJOEFQTSA-N 2 2 368.403 3.876 20 0 FHADLP Fc1ccccc1COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000548158598 931819706 /nfs/dbraw/zinc/81/97/06/931819706.db2.gz QQPUYEPNJVNOOJ-UHFFFAOYSA-N 2 2 366.440 3.902 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583046 931950514 /nfs/dbraw/zinc/95/05/14/931950514.db2.gz RIVFJVJADNTMHP-KNQAVFIVSA-N 2 2 359.558 3.611 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586455 931964665 /nfs/dbraw/zinc/96/46/65/931964665.db2.gz YKKSWKJIGBYLGP-OLZOCXBDSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586455 931964670 /nfs/dbraw/zinc/96/46/70/931964670.db2.gz YKKSWKJIGBYLGP-OLZOCXBDSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598003 932028998 /nfs/dbraw/zinc/02/89/98/932028998.db2.gz NDUOBTQDLCPJIY-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598003 932029008 /nfs/dbraw/zinc/02/90/08/932029008.db2.gz NDUOBTQDLCPJIY-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ncc(C(C)(C)C)s2)c2ccccc2)CC1 ZINC000581482358 932155258 /nfs/dbraw/zinc/15/52/58/932155258.db2.gz KNPNSKGOZDVGAP-SFHVURJKSA-N 2 2 372.582 3.519 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000510429933 932187100 /nfs/dbraw/zinc/18/71/00/932187100.db2.gz WGRIZTXYIMBYSH-UHFFFAOYSA-N 2 2 366.509 3.519 20 0 FHADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615339 932301438 /nfs/dbraw/zinc/30/14/38/932301438.db2.gz BMIKSSPALSGJLY-WIYYLYMNSA-N 2 2 371.569 3.579 20 0 FHADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615339 932301444 /nfs/dbraw/zinc/30/14/44/932301444.db2.gz BMIKSSPALSGJLY-WIYYLYMNSA-N 2 2 371.569 3.579 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3cc4ccncc4s3)[nH+]c2)CC1 ZINC000656770955 932407383 /nfs/dbraw/zinc/40/73/83/932407383.db2.gz ZIOAFSJJECRLBJ-UHFFFAOYSA-N 2 2 367.522 3.834 20 0 FHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000656790263 932427446 /nfs/dbraw/zinc/42/74/46/932427446.db2.gz MLYDCMOXDHDETR-GOTSBHOMSA-N 2 2 361.489 3.869 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCN(c4ccccc4)C3)C2)CC1 ZINC000684412680 932592363 /nfs/dbraw/zinc/59/23/63/932592363.db2.gz RNAWRYCXSLNZDA-LRYGQEGESA-N 2 2 367.459 3.660 20 0 FHADLP C[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)Cn1cc[nH+]c1 ZINC000647176634 932594840 /nfs/dbraw/zinc/59/48/40/932594840.db2.gz RKNJOXJIYMRIJR-NSHDSACASA-N 2 2 374.229 3.673 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000090721357 933105711 /nfs/dbraw/zinc/10/57/11/933105711.db2.gz DUBZYVCZMMSBTC-ZWNOBZJWSA-N 2 2 363.246 3.623 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000090721357 933105714 /nfs/dbraw/zinc/10/57/14/933105714.db2.gz DUBZYVCZMMSBTC-ZWNOBZJWSA-N 2 2 363.246 3.623 20 0 FHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000510539252 933200897 /nfs/dbraw/zinc/20/08/97/933200897.db2.gz MLUDXDQOUHMIKP-DYESRHJHSA-N 2 2 362.477 3.602 20 0 FHADLP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)CC1 ZINC000430927099 933424551 /nfs/dbraw/zinc/42/45/51/933424551.db2.gz PLDMHALIVJSCDG-QWHCGFSZSA-N 2 2 374.554 3.514 20 0 FHADLP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510782046 933713526 /nfs/dbraw/zinc/71/35/26/933713526.db2.gz QLEVRJNFIDUYRD-QFIPXVFZSA-N 2 2 365.521 3.572 20 0 FHADLP COC(=O)c1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)oc1C ZINC000431085568 933808750 /nfs/dbraw/zinc/80/87/50/933808750.db2.gz KFOQGNROERINMO-TZMCWYRMSA-N 2 2 359.470 3.534 20 0 FHADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937558 934187081 /nfs/dbraw/zinc/18/70/81/934187081.db2.gz ZBGZBPBWMDQYPZ-AJSBUHFISA-N 2 2 360.505 3.529 20 0 FHADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510937558 934187086 /nfs/dbraw/zinc/18/70/86/934187086.db2.gz ZBGZBPBWMDQYPZ-AJSBUHFISA-N 2 2 360.505 3.529 20 0 FHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000934011048 934424059 /nfs/dbraw/zinc/42/40/59/934424059.db2.gz IRPKIWXAEGXLDX-QHCPKHFHSA-N 2 2 374.488 3.691 20 0 FHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000934011048 934424062 /nfs/dbraw/zinc/42/40/62/934424062.db2.gz IRPKIWXAEGXLDX-QHCPKHFHSA-N 2 2 374.488 3.691 20 0 FHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000181009559 934521819 /nfs/dbraw/zinc/52/18/19/934521819.db2.gz WBIOTJOWAKLQPU-LEWJYISDSA-N 2 2 370.493 3.929 20 0 FHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328752 934656236 /nfs/dbraw/zinc/65/62/36/934656236.db2.gz XNAQJLXVNRASPR-BWAGFHJFSA-N 2 2 371.569 3.586 20 0 FHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328752 934656238 /nfs/dbraw/zinc/65/62/38/934656238.db2.gz XNAQJLXVNRASPR-BWAGFHJFSA-N 2 2 371.569 3.586 20 0 FHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000537958869 934834947 /nfs/dbraw/zinc/83/49/47/934834947.db2.gz LICRWRVWCANZKF-YTFSRNRJSA-N 2 2 368.496 3.883 20 0 FHADLP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)C[C@H](C)O1 ZINC000472046612 934890673 /nfs/dbraw/zinc/89/06/73/934890673.db2.gz AUPATHYVOMVPCI-KBPBESRZSA-N 2 2 365.930 3.696 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c(C)[nH+]1 ZINC000653178399 934971121 /nfs/dbraw/zinc/97/11/21/934971121.db2.gz RDSUMZDSHFSZEA-IEBWSBKVSA-N 2 2 352.482 3.964 20 0 FHADLP C[C@H](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)n1cc[nH+]c1 ZINC000563222719 935118684 /nfs/dbraw/zinc/11/86/84/935118684.db2.gz PKOXHQOBXQIWDY-MRXNPFEDSA-N 2 2 351.454 3.723 20 0 FHADLP CC[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000157739629 935177432 /nfs/dbraw/zinc/17/74/32/935177432.db2.gz HHTWHIUKAREUBX-IBGZPJMESA-N 2 2 371.569 3.554 20 0 FHADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582297810 935502434 /nfs/dbraw/zinc/50/24/34/935502434.db2.gz GASQJRZVWFQZDJ-VQTJNVASSA-N 2 2 371.912 3.602 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2)c[nH+]1 ZINC000511784286 945108196 /nfs/dbraw/zinc/10/81/96/945108196.db2.gz FVFOLYXPLRIARP-VABKMULXSA-N 2 2 359.473 3.877 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@@H]4COCC[C@@H]43)cc2)c[nH+]1 ZINC000511784286 945108203 /nfs/dbraw/zinc/10/82/03/945108203.db2.gz FVFOLYXPLRIARP-VABKMULXSA-N 2 2 359.473 3.877 20 0 FHADLP CSc1cccc(N(C(=O)C[C@@H](C)n2cc[nH+]c2)C2CC[NH+](C)CC2)c1 ZINC000582363294 935570720 /nfs/dbraw/zinc/57/07/20/935570720.db2.gz PZELIMLXMAPNEG-MRXNPFEDSA-N 2 2 372.538 3.684 20 0 FHADLP C[C@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582428261 935690213 /nfs/dbraw/zinc/69/02/13/935690213.db2.gz FTNSHNOVTUENNK-CHWSQXEVSA-N 2 2 357.458 3.628 20 0 FHADLP C[C@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582428261 935690215 /nfs/dbraw/zinc/69/02/15/935690215.db2.gz FTNSHNOVTUENNK-CHWSQXEVSA-N 2 2 357.458 3.628 20 0 FHADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582428264 935690468 /nfs/dbraw/zinc/69/04/68/935690468.db2.gz FTNSHNOVTUENNK-STQMWFEESA-N 2 2 357.458 3.628 20 0 FHADLP C[C@@H](c1nnc(-c2ccccc2F)s1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582428264 935690471 /nfs/dbraw/zinc/69/04/71/935690471.db2.gz FTNSHNOVTUENNK-STQMWFEESA-N 2 2 357.458 3.628 20 0 FHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243754 935695589 /nfs/dbraw/zinc/69/55/89/935695589.db2.gz NPAOUTGYAUEBRR-CYBMUJFWSA-N 2 2 366.387 3.566 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000431429253 935782269 /nfs/dbraw/zinc/78/22/69/935782269.db2.gz YJVODKYUTSXARR-FUHWJXTLSA-N 2 2 360.383 3.848 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000431429253 935782270 /nfs/dbraw/zinc/78/22/70/935782270.db2.gz YJVODKYUTSXARR-FUHWJXTLSA-N 2 2 360.383 3.848 20 0 FHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCCO2 ZINC000152826014 935869611 /nfs/dbraw/zinc/86/96/11/935869611.db2.gz QHPBSNLNSRFZLZ-NRFANRHFSA-N 2 2 369.484 3.731 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1cc(F)c(F)c(F)c1 ZINC000152846388 935871144 /nfs/dbraw/zinc/87/11/44/935871144.db2.gz KSDZIFMLFHVFHS-CQSZACIVSA-N 2 2 363.427 3.857 20 0 FHADLP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152844522 935871155 /nfs/dbraw/zinc/87/11/55/935871155.db2.gz DIHNDEHRWNNGDG-SFHVURJKSA-N 2 2 353.510 3.756 20 0 FHADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000582633435 935896561 /nfs/dbraw/zinc/89/65/61/935896561.db2.gz QWCSNXDUPGQDOT-UHFFFAOYSA-N 2 2 364.493 3.996 20 0 FHADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000582633435 935896566 /nfs/dbraw/zinc/89/65/66/935896566.db2.gz QWCSNXDUPGQDOT-UHFFFAOYSA-N 2 2 364.493 3.996 20 0 FHADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525950 935954005 /nfs/dbraw/zinc/95/40/05/935954005.db2.gz YUMCCTUOSPOOSD-KRWDZBQOSA-N 2 2 352.482 3.796 20 0 FHADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525950 935954006 /nfs/dbraw/zinc/95/40/06/935954006.db2.gz YUMCCTUOSPOOSD-KRWDZBQOSA-N 2 2 352.482 3.796 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631664 938300619 /nfs/dbraw/zinc/30/06/19/938300619.db2.gz GUAOZYHAZQOPNR-IFMALSPDSA-N 3 2 355.501 3.812 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631664 938300620 /nfs/dbraw/zinc/30/06/20/938300620.db2.gz GUAOZYHAZQOPNR-IFMALSPDSA-N 3 2 355.501 3.812 20 0 FHADLP CN1CC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1c1ccccc1 ZINC000569631664 938300621 /nfs/dbraw/zinc/30/06/21/938300621.db2.gz GUAOZYHAZQOPNR-IFMALSPDSA-N 2 2 355.501 3.812 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692863 938363380 /nfs/dbraw/zinc/36/33/80/938363380.db2.gz JYSYCSMCEYVALB-AXMKBWGCSA-N 2 2 374.594 3.853 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692863 938363383 /nfs/dbraw/zinc/36/33/83/938363383.db2.gz JYSYCSMCEYVALB-AXMKBWGCSA-N 2 2 374.594 3.853 20 0 FHADLP CC(C)C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000583700683 938366156 /nfs/dbraw/zinc/36/61/56/938366156.db2.gz UKKBJEIFUUCKQY-WSTZPKSXSA-N 2 2 356.514 3.716 20 0 FHADLP CSc1ccc([C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N(C)C)cc1 ZINC000583803249 938422732 /nfs/dbraw/zinc/42/27/32/938422732.db2.gz XXPGUCCFTOOZBS-HXUWFJFHSA-N 2 2 370.566 3.665 20 0 FHADLP c1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000657806162 938480646 /nfs/dbraw/zinc/48/06/46/938480646.db2.gz HRDDMOXCQMWZBB-XMMPIXPASA-N 2 2 363.549 3.558 20 0 FHADLP c1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000657806162 938480647 /nfs/dbraw/zinc/48/06/47/938480647.db2.gz HRDDMOXCQMWZBB-XMMPIXPASA-N 2 2 363.549 3.558 20 0 FHADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158457450 938528757 /nfs/dbraw/zinc/52/87/57/938528757.db2.gz UZRJCXFVUQBEPT-KRWDZBQOSA-N 2 2 364.493 3.739 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1N(C)C ZINC000151349487 938529927 /nfs/dbraw/zinc/52/99/27/938529927.db2.gz JFYJRAWCAFRRIA-MRXNPFEDSA-N 2 2 352.457 3.987 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2ccnc2)cc1 ZINC000151343254 938530352 /nfs/dbraw/zinc/53/03/52/938530352.db2.gz SXGVRHXPROFMSC-GOSISDBHSA-N 2 2 357.461 3.968 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)cc1C ZINC000158683927 938563807 /nfs/dbraw/zinc/56/38/07/938563807.db2.gz JJTZHUNRNSTOSD-QXAKKESOSA-N 2 2 354.498 3.831 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)cc1C ZINC000158683927 938563811 /nfs/dbraw/zinc/56/38/11/938563811.db2.gz JJTZHUNRNSTOSD-QXAKKESOSA-N 2 2 354.498 3.831 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)o2)cc1C ZINC000158683927 938563814 /nfs/dbraw/zinc/56/38/14/938563814.db2.gz JJTZHUNRNSTOSD-QXAKKESOSA-N 2 2 354.498 3.831 20 0 FHADLP Cc1ccc(-c2nnc([C@H](C)[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)o2)cc1C ZINC000158683927 938563816 /nfs/dbraw/zinc/56/38/16/938563816.db2.gz JJTZHUNRNSTOSD-QXAKKESOSA-N 2 2 354.498 3.831 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000657823271 938573089 /nfs/dbraw/zinc/57/30/89/938573089.db2.gz JZUKRVFWNQJTII-MRXNPFEDSA-N 2 2 351.450 3.511 20 0 FHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151795441 938681680 /nfs/dbraw/zinc/68/16/80/938681680.db2.gz NANLKNDJPKCYHJ-PGRDOPGGSA-N 2 2 368.521 3.544 20 0 FHADLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000151795441 938681681 /nfs/dbraw/zinc/68/16/81/938681681.db2.gz NANLKNDJPKCYHJ-PGRDOPGGSA-N 2 2 368.521 3.544 20 0 FHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000151795372 938681691 /nfs/dbraw/zinc/68/16/91/938681691.db2.gz NANLKNDJPKCYHJ-XMSQKQJNSA-N 2 2 368.521 3.544 20 0 FHADLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000151795372 938681693 /nfs/dbraw/zinc/68/16/93/938681693.db2.gz NANLKNDJPKCYHJ-XMSQKQJNSA-N 2 2 368.521 3.544 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968306 938710709 /nfs/dbraw/zinc/71/07/09/938710709.db2.gz WRGOCOOUDOFOML-UHFFFAOYSA-N 2 2 372.900 3.583 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968306 938710710 /nfs/dbraw/zinc/71/07/10/938710710.db2.gz WRGOCOOUDOFOML-UHFFFAOYSA-N 2 2 372.900 3.583 20 0 FHADLP C[N@H+](Cc1coc(-c2cccs2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968580 938710719 /nfs/dbraw/zinc/71/07/19/938710719.db2.gz UFKOFGUQMQNVFQ-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP C[N@@H+](Cc1coc(-c2cccs2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968580 938710721 /nfs/dbraw/zinc/71/07/21/938710721.db2.gz UFKOFGUQMQNVFQ-UHFFFAOYSA-N 2 2 354.479 3.899 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000083206503 938810814 /nfs/dbraw/zinc/81/08/14/938810814.db2.gz VLFXTASCHJOSRP-ZDUSSCGKSA-N 2 2 366.387 3.637 20 0 FHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000083206503 938810815 /nfs/dbraw/zinc/81/08/15/938810815.db2.gz VLFXTASCHJOSRP-ZDUSSCGKSA-N 2 2 366.387 3.637 20 0 FHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985560 945207524 /nfs/dbraw/zinc/20/75/24/945207524.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 2 371.544 3.737 20 0 FHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985560 945207527 /nfs/dbraw/zinc/20/75/27/945207527.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 2 371.544 3.737 20 0 FHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985560 945207532 /nfs/dbraw/zinc/20/75/32/945207532.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 2 371.544 3.737 20 0 FHADLP C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH+]1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985560 945207535 /nfs/dbraw/zinc/20/75/35/945207535.db2.gz YLQMURQNCPPWCM-MRCBEBMISA-N 2 2 371.544 3.737 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090666668 938881607 /nfs/dbraw/zinc/88/16/07/938881607.db2.gz HUMUTNQCVHQCRT-YOEHRIQHSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090666668 938881611 /nfs/dbraw/zinc/88/16/11/938881611.db2.gz HUMUTNQCVHQCRT-YOEHRIQHSA-N 2 2 366.431 3.582 20 0 FHADLP CCOc1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066104 938910568 /nfs/dbraw/zinc/91/05/68/938910568.db2.gz VJVHTTNMVSCFNA-WIYYLYMNSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066104 938910570 /nfs/dbraw/zinc/91/05/70/938910570.db2.gz VJVHTTNMVSCFNA-WIYYLYMNSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066104 938910572 /nfs/dbraw/zinc/91/05/72/938910572.db2.gz VJVHTTNMVSCFNA-WIYYLYMNSA-N 2 2 374.573 3.695 20 0 FHADLP CCOc1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)nn1CC(C)C ZINC000092066104 938910574 /nfs/dbraw/zinc/91/05/74/938910574.db2.gz VJVHTTNMVSCFNA-WIYYLYMNSA-N 2 2 374.573 3.695 20 0 FHADLP CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818794 938930499 /nfs/dbraw/zinc/93/04/99/938930499.db2.gz LJHPRVJTXLDZLX-SFHVURJKSA-N 2 2 358.555 3.553 20 0 FHADLP CC[N@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818794 938930500 /nfs/dbraw/zinc/93/05/00/938930500.db2.gz LJHPRVJTXLDZLX-SFHVURJKSA-N 2 2 358.555 3.553 20 0 FHADLP CC[NH+](Cc1cnc(N(C)C)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818794 938930502 /nfs/dbraw/zinc/93/05/02/938930502.db2.gz LJHPRVJTXLDZLX-SFHVURJKSA-N 2 2 358.555 3.553 20 0 FHADLP CC[NH+](Cc1cnc(N(C)C)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818794 938930503 /nfs/dbraw/zinc/93/05/03/938930503.db2.gz LJHPRVJTXLDZLX-SFHVURJKSA-N 2 2 358.555 3.553 20 0 FHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C(C)(C)C)s2)CC1 ZINC000685444624 938987073 /nfs/dbraw/zinc/98/70/73/938987073.db2.gz PTZHHHGHMKUCLX-UHFFFAOYSA-N 2 2 368.587 3.605 20 0 FHADLP CN(Cc1ccccc1OC1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457686 938987933 /nfs/dbraw/zinc/98/79/33/938987933.db2.gz JMZAWCAVMDULTD-OAQYLSRUSA-N 2 2 371.569 3.608 20 0 FHADLP CN(Cc1ccccc1OC1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457686 938987934 /nfs/dbraw/zinc/98/79/34/938987934.db2.gz JMZAWCAVMDULTD-OAQYLSRUSA-N 2 2 371.569 3.608 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572100 938991990 /nfs/dbraw/zinc/99/19/90/938991990.db2.gz CTKJLKDHBQNZQX-SJLPKXTDSA-N 2 2 368.912 3.845 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572100 938991991 /nfs/dbraw/zinc/99/19/91/938991991.db2.gz CTKJLKDHBQNZQX-SJLPKXTDSA-N 2 2 368.912 3.845 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)CCCO2 ZINC000657951758 939010724 /nfs/dbraw/zinc/01/07/24/939010724.db2.gz AEFRCEKTZLFBIY-UZLBHIALSA-N 2 2 366.509 3.720 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)F)nc1 ZINC000657953376 939011391 /nfs/dbraw/zinc/01/13/91/939011391.db2.gz OMOMPSTUEROABW-CJNGLKHVSA-N 2 2 361.440 3.728 20 0 FHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657980700 939015239 /nfs/dbraw/zinc/01/52/39/939015239.db2.gz OHHANOHIPHLQEU-DLBZAZTESA-N 2 2 362.315 3.817 20 0 FHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)C1 ZINC000658101097 939026146 /nfs/dbraw/zinc/02/61/46/939026146.db2.gz MJLGPJLLIHSDIZ-WIYYLYMNSA-N 2 2 356.558 3.815 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229586 939075352 /nfs/dbraw/zinc/07/53/52/939075352.db2.gz RZMYJXNKNZUTAE-PKOBYXMFSA-N 2 2 357.542 3.963 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229586 939075355 /nfs/dbraw/zinc/07/53/55/939075355.db2.gz RZMYJXNKNZUTAE-PKOBYXMFSA-N 2 2 357.542 3.963 20 0 FHADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293067 939099932 /nfs/dbraw/zinc/09/99/32/939099932.db2.gz CQKJCNMCFTXZCT-WMLDXEAASA-N 2 2 352.906 3.643 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccccc12 ZINC000658292501 939100057 /nfs/dbraw/zinc/10/00/57/939100057.db2.gz ZZVNMTUHYCUMJK-WMZOPIPTSA-N 2 2 354.494 3.752 20 0 FHADLP Clc1cc2c(c(Cl)c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658293840 939100759 /nfs/dbraw/zinc/10/07/59/939100759.db2.gz JIFRJSPGUDPXJP-DOTOQJQBSA-N 2 2 355.309 3.824 20 0 FHADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCO2 ZINC000658296314 939102226 /nfs/dbraw/zinc/10/22/26/939102226.db2.gz YTGDNVOOQPZJPX-PZJWPPBQSA-N 2 2 358.526 3.867 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1 ZINC000586790362 939206687 /nfs/dbraw/zinc/20/66/87/939206687.db2.gz YYKMUOCPSCZHDG-PBHICJAKSA-N 2 2 369.490 3.903 20 0 FHADLP CC(C)(C)c1csc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000507504941 945285127 /nfs/dbraw/zinc/28/51/27/945285127.db2.gz CYFPFSKKJDGJGH-UHFFFAOYSA-N 2 2 363.493 3.990 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168797 940409934 /nfs/dbraw/zinc/40/99/34/940409934.db2.gz YEPGOWVXIXPKME-BXTJHSDWSA-N 2 2 369.538 3.764 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cnc2ccsc2c1 ZINC000376168797 940409937 /nfs/dbraw/zinc/40/99/37/940409937.db2.gz YEPGOWVXIXPKME-BXTJHSDWSA-N 2 2 369.538 3.764 20 0 FHADLP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448334189 940420853 /nfs/dbraw/zinc/42/08/53/940420853.db2.gz XWTHKYFMIIELCC-OAQYLSRUSA-N 2 2 360.505 3.826 20 0 FHADLP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448334189 940420856 /nfs/dbraw/zinc/42/08/56/940420856.db2.gz XWTHKYFMIIELCC-OAQYLSRUSA-N 2 2 360.505 3.826 20 0 FHADLP C[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448334189 940420858 /nfs/dbraw/zinc/42/08/58/940420858.db2.gz XWTHKYFMIIELCC-OAQYLSRUSA-N 2 2 360.505 3.826 20 0 FHADLP C[NH+](Cc1ccnn1-c1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448334189 940420860 /nfs/dbraw/zinc/42/08/60/940420860.db2.gz XWTHKYFMIIELCC-OAQYLSRUSA-N 2 2 360.505 3.826 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177805032 940446651 /nfs/dbraw/zinc/44/66/51/940446651.db2.gz ZYWPUFIFPITAGG-GOSISDBHSA-N 3 2 364.493 3.664 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414090955 940496178 /nfs/dbraw/zinc/49/61/78/940496178.db2.gz DBSCVBHGYSMHFU-GHTZIAJQSA-N 2 2 364.493 3.866 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127748 940638156 /nfs/dbraw/zinc/63/81/56/940638156.db2.gz SOTRRJMLZDJPRN-JXHRLWIKSA-N 2 2 368.521 3.537 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c(C)c1 ZINC000414127748 940638159 /nfs/dbraw/zinc/63/81/59/940638159.db2.gz SOTRRJMLZDJPRN-JXHRLWIKSA-N 2 2 368.521 3.537 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892573490 940812647 /nfs/dbraw/zinc/81/26/47/940812647.db2.gz CZHIQNXHBBNCEC-HNNXBMFYSA-N 2 2 356.539 3.937 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892573490 940812649 /nfs/dbraw/zinc/81/26/49/940812649.db2.gz CZHIQNXHBBNCEC-HNNXBMFYSA-N 2 2 356.539 3.937 20 0 FHADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000647550417 941071511 /nfs/dbraw/zinc/07/15/11/941071511.db2.gz PULLIFLSHMJKRR-XJKSGUPXSA-N 2 2 356.341 3.545 20 0 FHADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176723510 941073681 /nfs/dbraw/zinc/07/36/81/941073681.db2.gz CZFGFZOFYQFMPQ-NQIIRXRSSA-N 2 2 374.488 3.655 20 0 FHADLP C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176723510 941073683 /nfs/dbraw/zinc/07/36/83/941073683.db2.gz CZFGFZOFYQFMPQ-NQIIRXRSSA-N 2 2 374.488 3.655 20 0 FHADLP Brc1cscc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000376749305 941108239 /nfs/dbraw/zinc/10/82/39/941108239.db2.gz GOMRXRFXVJWGAJ-UHFFFAOYSA-N 2 2 352.301 3.664 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000177304577 941115299 /nfs/dbraw/zinc/11/52/99/941115299.db2.gz WXGLPNPFGOISCQ-KGLIPLIRSA-N 2 2 370.324 3.881 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000177304577 941115300 /nfs/dbraw/zinc/11/53/00/941115300.db2.gz WXGLPNPFGOISCQ-KGLIPLIRSA-N 2 2 370.324 3.881 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000177304577 941115302 /nfs/dbraw/zinc/11/53/02/941115302.db2.gz WXGLPNPFGOISCQ-KGLIPLIRSA-N 2 2 370.324 3.881 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1c(Cl)cccc1Cl ZINC000177304577 941115303 /nfs/dbraw/zinc/11/53/03/941115303.db2.gz WXGLPNPFGOISCQ-KGLIPLIRSA-N 2 2 370.324 3.881 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000177311997 941115973 /nfs/dbraw/zinc/11/59/73/941115973.db2.gz FBKHJCOIUZQWRW-MSOLQXFVSA-N 2 2 372.488 3.675 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000177311997 941115974 /nfs/dbraw/zinc/11/59/74/941115974.db2.gz FBKHJCOIUZQWRW-MSOLQXFVSA-N 2 2 372.488 3.675 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000177311997 941115975 /nfs/dbraw/zinc/11/59/75/941115975.db2.gz FBKHJCOIUZQWRW-MSOLQXFVSA-N 2 2 372.488 3.675 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000177311997 941115976 /nfs/dbraw/zinc/11/59/76/941115976.db2.gz FBKHJCOIUZQWRW-MSOLQXFVSA-N 2 2 372.488 3.675 20 0 FHADLP CCCC[NH+]1CCC([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1 ZINC000164482119 941121012 /nfs/dbraw/zinc/12/10/12/941121012.db2.gz CPISEGCQWLQZRW-UHFFFAOYSA-N 3 2 358.574 3.576 20 0 FHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cn2c1 ZINC000178235575 941212309 /nfs/dbraw/zinc/21/23/09/941212309.db2.gz MYUJDQLWTZHPNK-CQSZACIVSA-N 2 2 354.479 3.534 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000549168071 941573814 /nfs/dbraw/zinc/57/38/14/941573814.db2.gz ZIWKSYQWLYOGKA-RLWLMLJZSA-N 2 2 370.562 3.685 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[S@](=O)c1ccccc1 ZINC000549168071 941573816 /nfs/dbraw/zinc/57/38/16/941573816.db2.gz ZIWKSYQWLYOGKA-RLWLMLJZSA-N 2 2 370.562 3.685 20 0 FHADLP FC(F)(F)COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccn1 ZINC000415079767 941591719 /nfs/dbraw/zinc/59/17/19/941591719.db2.gz KOKRSQNOBACQHQ-IAGOWNOFSA-N 2 2 365.399 3.606 20 0 FHADLP COCCOCc1ccc(C[NH2+]C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000377398643 941692367 /nfs/dbraw/zinc/69/23/67/941692367.db2.gz BGIUSEPHNGNRNH-UHFFFAOYSA-N 2 2 374.550 3.665 20 0 FHADLP C[N@H+](CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)Cc1ccccc1 ZINC000513487556 941959473 /nfs/dbraw/zinc/95/94/73/941959473.db2.gz GQFZMHBGPUKRFB-HSZRJFAPSA-N 2 2 360.505 3.872 20 0 FHADLP C[N@@H+](CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1)Cc1ccccc1 ZINC000513487556 941959474 /nfs/dbraw/zinc/95/94/74/941959474.db2.gz GQFZMHBGPUKRFB-HSZRJFAPSA-N 2 2 360.505 3.872 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000513517667 941978075 /nfs/dbraw/zinc/97/80/75/941978075.db2.gz JIFKBWUGDJZNOR-ZIPUMODLSA-N 2 2 353.510 3.942 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000513517667 941978079 /nfs/dbraw/zinc/97/80/79/941978079.db2.gz JIFKBWUGDJZNOR-ZIPUMODLSA-N 2 2 353.510 3.942 20 0 FHADLP Fc1cc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)ccc1-n1cc[nH+]c1 ZINC000513537646 941994974 /nfs/dbraw/zinc/99/49/74/941994974.db2.gz BLYTZNBDZNGANB-NRFANRHFSA-N 2 2 373.435 3.875 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCCO3)CCC2 ZINC000377832861 942020723 /nfs/dbraw/zinc/02/07/23/942020723.db2.gz VFFLACDLSLTFQN-HNNXBMFYSA-N 2 2 361.873 3.673 20 0 FHADLP COc1c(C)cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000434007708 942037045 /nfs/dbraw/zinc/03/70/45/942037045.db2.gz WZVVFNASWHRYHX-PZJWPPBQSA-N 2 2 370.541 3.560 20 0 FHADLP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000434007708 942037050 /nfs/dbraw/zinc/03/70/50/942037050.db2.gz WZVVFNASWHRYHX-PZJWPPBQSA-N 2 2 370.541 3.560 20 0 FHADLP COc1c(C)cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000434007708 942037055 /nfs/dbraw/zinc/03/70/55/942037055.db2.gz WZVVFNASWHRYHX-PZJWPPBQSA-N 2 2 370.541 3.560 20 0 FHADLP COc1c(C)cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000434007708 942037059 /nfs/dbraw/zinc/03/70/59/942037059.db2.gz WZVVFNASWHRYHX-PZJWPPBQSA-N 2 2 370.541 3.560 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1cccs1 ZINC000377871218 942047068 /nfs/dbraw/zinc/04/70/68/942047068.db2.gz SHAVTORKHVSWJJ-KUHUBIRLSA-N 2 2 356.495 3.904 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1cccs1 ZINC000377871218 942047072 /nfs/dbraw/zinc/04/70/72/942047072.db2.gz SHAVTORKHVSWJJ-KUHUBIRLSA-N 2 2 356.495 3.904 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC000415917065 942141248 /nfs/dbraw/zinc/14/12/48/942141248.db2.gz JKCFWBNDNLBZSX-MRXNPFEDSA-N 2 2 372.538 3.768 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCSC4(CCC4)CC3)sc2C1 ZINC000414473661 942222296 /nfs/dbraw/zinc/22/22/96/942222296.db2.gz BONWWVHMLKGBHS-UHFFFAOYSA-N 2 2 351.585 3.771 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCSC4(CCC4)CC3)sc2C1 ZINC000414473661 942222301 /nfs/dbraw/zinc/22/23/01/942222301.db2.gz BONWWVHMLKGBHS-UHFFFAOYSA-N 2 2 351.585 3.771 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCSC4(CCC4)CC3)sc2C1 ZINC000414473661 942222306 /nfs/dbraw/zinc/22/23/06/942222306.db2.gz BONWWVHMLKGBHS-UHFFFAOYSA-N 2 2 351.585 3.771 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCSC4(CCC4)CC3)sc2C1 ZINC000414473661 942222311 /nfs/dbraw/zinc/22/23/11/942222311.db2.gz BONWWVHMLKGBHS-UHFFFAOYSA-N 2 2 351.585 3.771 20 0 FHADLP C[N@H+](Cc1ccc(Cl)s1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906866 942248102 /nfs/dbraw/zinc/24/81/02/942248102.db2.gz UKVGGSIXTKYHLT-UHFFFAOYSA-N 2 2 350.915 3.866 20 0 FHADLP C[N@@H+](Cc1ccc(Cl)s1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420906866 942248108 /nfs/dbraw/zinc/24/81/08/942248108.db2.gz UKVGGSIXTKYHLT-UHFFFAOYSA-N 2 2 350.915 3.866 20 0 FHADLP Cc1csc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)n1 ZINC000420913179 942250838 /nfs/dbraw/zinc/25/08/38/942250838.db2.gz ALUIQGXCIHYEKX-IBGZPJMESA-N 2 2 357.523 3.525 20 0 FHADLP Cc1csc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCCC2)n1 ZINC000420944079 942268128 /nfs/dbraw/zinc/26/81/28/942268128.db2.gz XUASDEXZHDDRHI-UHFFFAOYSA-N 2 2 371.550 3.843 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986431 942282664 /nfs/dbraw/zinc/28/26/64/942282664.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986431 942282667 /nfs/dbraw/zinc/28/26/67/942282667.db2.gz YKEDVWQOUGDSID-NRFANRHFSA-N 2 2 365.512 3.908 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286748 /nfs/dbraw/zinc/28/67/48/942286748.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286751 /nfs/dbraw/zinc/28/67/51/942286751.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286755 /nfs/dbraw/zinc/28/67/55/942286755.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974340 942286758 /nfs/dbraw/zinc/28/67/58/942286758.db2.gz DIAABDLQILUBTH-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421070008 942328478 /nfs/dbraw/zinc/32/84/78/942328478.db2.gz QYVHXJGFSULNTM-UHFFFAOYSA-N 2 2 370.497 3.741 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC[C@H](c4cccnc4)C3)[nH+]c2)C1 ZINC000502434900 942451526 /nfs/dbraw/zinc/45/15/26/942451526.db2.gz MKESAZDBLVLHOL-FBBABVLZSA-N 2 2 365.525 3.755 20 0 FHADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]C[C@H]3CCC[NH2+]C3)cs2)cc1 ZINC000414826076 942458903 /nfs/dbraw/zinc/45/89/03/942458903.db2.gz IFWVQBJAHAGCGO-LBPRGKRZSA-N 2 2 355.429 3.918 20 0 FHADLP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1cnn(C3CCCC3)c1-c1ccccc1)CC2 ZINC000421341553 942495048 /nfs/dbraw/zinc/49/50/48/942495048.db2.gz KLJCIBAQDXVSOY-IBGZPJMESA-N 2 2 361.493 3.966 20 0 FHADLP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cn1 ZINC000893203264 942588054 /nfs/dbraw/zinc/58/80/54/942588054.db2.gz WLHZHOJLTGDFOS-SFHVURJKSA-N 2 2 352.526 3.990 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293210 942597516 /nfs/dbraw/zinc/59/75/16/942597516.db2.gz QLPUKRGJHCCXBZ-YLJYHZDGSA-N 2 2 363.505 3.509 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293210 942597522 /nfs/dbraw/zinc/59/75/22/942597522.db2.gz QLPUKRGJHCCXBZ-YLJYHZDGSA-N 2 2 363.505 3.509 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967189 942604969 /nfs/dbraw/zinc/60/49/69/942604969.db2.gz JSPMHJBCYXYYKB-NHCUHLMSSA-N 2 2 365.606 3.998 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967189 942604971 /nfs/dbraw/zinc/60/49/71/942604971.db2.gz JSPMHJBCYXYYKB-NHCUHLMSSA-N 2 2 365.606 3.998 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420301573 942610979 /nfs/dbraw/zinc/61/09/79/942610979.db2.gz FGMTXQUWHDCRTH-GMAHTHKFSA-N 2 2 359.473 3.777 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420301573 942610989 /nfs/dbraw/zinc/61/09/89/942610989.db2.gz FGMTXQUWHDCRTH-GMAHTHKFSA-N 2 2 359.473 3.777 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000420303898 942612029 /nfs/dbraw/zinc/61/20/29/942612029.db2.gz ICISNAFJWFQSFH-JOCHJYFZSA-N 2 2 363.461 3.689 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)on1 ZINC000420303898 942612035 /nfs/dbraw/zinc/61/20/35/942612035.db2.gz ICISNAFJWFQSFH-JOCHJYFZSA-N 2 2 363.461 3.689 20 0 FHADLP C[N@H+](CC(=O)N1c2ccccc2CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000420307908 942613871 /nfs/dbraw/zinc/61/38/71/942613871.db2.gz JECDQVMPOVGQPQ-FQEVSTJZSA-N 2 2 363.505 3.524 20 0 FHADLP C[N@@H+](CC(=O)N1c2ccccc2CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000420307908 942613876 /nfs/dbraw/zinc/61/38/76/942613876.db2.gz JECDQVMPOVGQPQ-FQEVSTJZSA-N 2 2 363.505 3.524 20 0 FHADLP C[N@H+](CC(=O)N1c2ccccc2CCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000420307910 942614135 /nfs/dbraw/zinc/61/41/35/942614135.db2.gz JECDQVMPOVGQPQ-HXUWFJFHSA-N 2 2 363.505 3.524 20 0 FHADLP C[N@@H+](CC(=O)N1c2ccccc2CCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000420307910 942614140 /nfs/dbraw/zinc/61/41/40/942614140.db2.gz JECDQVMPOVGQPQ-HXUWFJFHSA-N 2 2 363.505 3.524 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342577 942619224 /nfs/dbraw/zinc/61/92/24/942619224.db2.gz OZOYAADPSDMXTH-AHIWAGSCSA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342577 942619229 /nfs/dbraw/zinc/61/92/29/942619229.db2.gz OZOYAADPSDMXTH-AHIWAGSCSA-N 2 2 352.935 3.869 20 0 FHADLP Cc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348301 942627652 /nfs/dbraw/zinc/62/76/52/942627652.db2.gz KSAJNEYBNDIGSS-FQEVSTJZSA-N 2 2 356.901 3.681 20 0 FHADLP Cc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348301 942627659 /nfs/dbraw/zinc/62/76/59/942627659.db2.gz KSAJNEYBNDIGSS-FQEVSTJZSA-N 2 2 356.901 3.681 20 0 FHADLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414844963 942629744 /nfs/dbraw/zinc/62/97/44/942629744.db2.gz RYWGEAMAMJSFTB-NSHDSACASA-N 2 2 354.317 3.518 20 0 FHADLP [NH3+]C[C@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000420356676 942636035 /nfs/dbraw/zinc/63/60/35/942636035.db2.gz CXBUFIXSVWGLDZ-NRFANRHFSA-N 2 2 351.494 3.936 20 0 FHADLP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000420404211 942662723 /nfs/dbraw/zinc/66/27/23/942662723.db2.gz LYBSSVKGFNHEPC-DQYPLSBCSA-N 2 2 353.293 3.575 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000514089397 942741014 /nfs/dbraw/zinc/74/10/14/942741014.db2.gz PPPQHLLVXGTFNG-OAHLLOKOSA-N 2 2 369.490 3.673 20 0 FHADLP C[NH+](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425090804 942751434 /nfs/dbraw/zinc/75/14/34/942751434.db2.gz XVIVEAJQNPGULQ-QGZVFWFLSA-N 2 2 372.538 3.541 20 0 FHADLP C[NH+](C)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1ccccc1 ZINC000425090804 942751437 /nfs/dbraw/zinc/75/14/37/942751437.db2.gz XVIVEAJQNPGULQ-QGZVFWFLSA-N 2 2 372.538 3.541 20 0 FHADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502782531 942755107 /nfs/dbraw/zinc/75/51/07/942755107.db2.gz SWUONWCIKCNREX-UHFFFAOYSA-N 2 2 360.461 3.927 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644200 942823771 /nfs/dbraw/zinc/82/37/71/942823771.db2.gz FAXKCRPDXRZNSP-VQIMIIECSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644200 942823774 /nfs/dbraw/zinc/82/37/74/942823774.db2.gz FAXKCRPDXRZNSP-VQIMIIECSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644200 942823778 /nfs/dbraw/zinc/82/37/78/942823778.db2.gz FAXKCRPDXRZNSP-VQIMIIECSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CC2CCOCC2)C1 ZINC000434644200 942823781 /nfs/dbraw/zinc/82/37/81/942823781.db2.gz FAXKCRPDXRZNSP-VQIMIIECSA-N 2 2 365.587 3.658 20 0 FHADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000584568908 942848547 /nfs/dbraw/zinc/84/85/47/942848547.db2.gz PJLZPSBPFIEDKB-LJQANCHMSA-N 2 2 352.482 3.699 20 0 FHADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000584568908 942848552 /nfs/dbraw/zinc/84/85/52/942848552.db2.gz PJLZPSBPFIEDKB-LJQANCHMSA-N 2 2 352.482 3.699 20 0 FHADLP C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312213698 942919350 /nfs/dbraw/zinc/91/93/50/942919350.db2.gz NAXUHPBDSFOYCH-WMZOPIPTSA-N 2 2 370.497 3.922 20 0 FHADLP CCC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422008852 942937196 /nfs/dbraw/zinc/93/71/96/942937196.db2.gz QBAIUUDYIQVEJL-QFIPXVFZSA-N 2 2 371.569 3.589 20 0 FHADLP CCC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422008852 942937197 /nfs/dbraw/zinc/93/71/97/942937197.db2.gz QBAIUUDYIQVEJL-QFIPXVFZSA-N 2 2 371.569 3.589 20 0 FHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000378616452 942965220 /nfs/dbraw/zinc/96/52/20/942965220.db2.gz OTURMUWVIWYGFF-YLJYHZDGSA-N 2 2 366.509 3.603 20 0 FHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000378616452 942965225 /nfs/dbraw/zinc/96/52/25/942965225.db2.gz OTURMUWVIWYGFF-YLJYHZDGSA-N 2 2 366.509 3.603 20 0 FHADLP Cc1cc(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc(C)[nH+]1 ZINC000422165008 943017667 /nfs/dbraw/zinc/01/76/67/943017667.db2.gz OBYIVBZPSAHNSK-QGZVFWFLSA-N 2 2 354.498 3.627 20 0 FHADLP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434984240 943074956 /nfs/dbraw/zinc/07/49/56/943074956.db2.gz ZSINYFFPBXODCN-GFCCVEGCSA-N 2 2 366.387 3.635 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435002568 943095112 /nfs/dbraw/zinc/09/51/12/943095112.db2.gz FNTKHEZGLCTAFZ-QGZVFWFLSA-N 2 2 368.525 3.665 20 0 FHADLP C[NH+](C)[C@H]1CCOc2c(NC3CCN(c4cccc[nH+]4)CC3)cccc21 ZINC000435020628 943101861 /nfs/dbraw/zinc/10/18/61/943101861.db2.gz KZJMVNXGQHJLNO-IBGZPJMESA-N 2 2 352.482 3.548 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(F)cc1 ZINC000503411372 943168358 /nfs/dbraw/zinc/16/83/58/943168358.db2.gz OXIVIMPCRQRRKD-MRXNPFEDSA-N 2 2 370.472 3.567 20 0 FHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(F)cc1 ZINC000503411372 943168361 /nfs/dbraw/zinc/16/83/61/943168361.db2.gz OXIVIMPCRQRRKD-MRXNPFEDSA-N 2 2 370.472 3.567 20 0 FHADLP COc1cccc2c(NCC3CC[NH+](Cc4ccncc4)CC3)cc[nH+]c12 ZINC000664283041 943177316 /nfs/dbraw/zinc/17/73/16/943177316.db2.gz MSUSWQJRNWFSFE-UHFFFAOYSA-N 2 2 362.477 3.963 20 0 FHADLP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437087 943183385 /nfs/dbraw/zinc/18/33/85/943183385.db2.gz WTIUXLVRURQLCN-SFHVURJKSA-N 2 2 367.493 3.680 20 0 FHADLP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437087 943183388 /nfs/dbraw/zinc/18/33/88/943183388.db2.gz WTIUXLVRURQLCN-SFHVURJKSA-N 2 2 367.493 3.680 20 0 FHADLP CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438001 943183858 /nfs/dbraw/zinc/18/38/58/943183858.db2.gz NWJNGKMSEBUMCI-LJQANCHMSA-N 2 2 374.573 3.828 20 0 FHADLP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438001 943183861 /nfs/dbraw/zinc/18/38/61/943183861.db2.gz NWJNGKMSEBUMCI-LJQANCHMSA-N 2 2 374.573 3.828 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ccccc3)c3ccccn3)[nH+]c2)C1 ZINC000272616648 943187594 /nfs/dbraw/zinc/18/75/94/943187594.db2.gz LHBISOMAILSOSV-OFNKIYASSA-N 2 2 373.504 3.818 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ncc(C(C)(C)C)s3)[nH+]c2)C1 ZINC000584584234 943191006 /nfs/dbraw/zinc/19/10/06/943191006.db2.gz FJPBADLSYIFMPQ-OAHLLOKOSA-N 2 2 359.543 3.588 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000545916701 943245722 /nfs/dbraw/zinc/24/57/22/943245722.db2.gz DSSNXLRNTPKGSM-AWEZNQCLSA-N 2 2 372.431 3.774 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cn1 ZINC000422689314 943245935 /nfs/dbraw/zinc/24/59/35/943245935.db2.gz FELHVUPCRCXTJZ-MSOLQXFVSA-N 2 2 355.482 3.893 20 0 FHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422731829 943249831 /nfs/dbraw/zinc/24/98/31/943249831.db2.gz MMPQMUMZZIZPDE-RHSMWYFYSA-N 2 2 352.400 3.676 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422719473 943257645 /nfs/dbraw/zinc/25/76/45/943257645.db2.gz YFOXEOYDMJMSRP-SFTDATJTSA-N 2 2 351.494 3.868 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727136 943261573 /nfs/dbraw/zinc/26/15/73/943261573.db2.gz GVYZEPOUMMMRCE-KZNAEPCWSA-N 2 2 355.448 3.529 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727136 943261578 /nfs/dbraw/zinc/26/15/78/943261578.db2.gz GVYZEPOUMMMRCE-KZNAEPCWSA-N 2 2 355.448 3.529 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422771762 943277417 /nfs/dbraw/zinc/27/74/17/943277417.db2.gz YNVQBAHACKOJPU-FYZZASKESA-N 2 2 360.542 3.919 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422795167 943285721 /nfs/dbraw/zinc/28/57/21/943285721.db2.gz ZTAORKXHSGJGTD-IFMALSPDSA-N 2 2 364.493 3.518 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765695 943285862 /nfs/dbraw/zinc/28/58/62/943285862.db2.gz RBFOXJDFADBZDD-QFHJOOASSA-N 3 2 369.475 3.805 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765695 943285868 /nfs/dbraw/zinc/28/58/68/943285868.db2.gz RBFOXJDFADBZDD-QFHJOOASSA-N 3 2 369.475 3.805 20 0 FHADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422796307 943286390 /nfs/dbraw/zinc/28/63/90/943286390.db2.gz YEXUGZCJOMLHKF-HUUCEWRRSA-N 2 2 351.372 3.862 20 0 FHADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422796301 943286651 /nfs/dbraw/zinc/28/66/51/943286651.db2.gz YEXUGZCJOMLHKF-CABCVRRESA-N 2 2 351.372 3.862 20 0 FHADLP COc1cccc(C([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc(OC)c2)c1 ZINC000422823613 943296494 /nfs/dbraw/zinc/29/64/94/943296494.db2.gz LWZDLQHWUGVSGX-DFNIBXOVSA-N 2 2 352.478 3.666 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422830051 943297892 /nfs/dbraw/zinc/29/78/92/943297892.db2.gz QRKLQPMGVWWXGX-IPHXSNPTSA-N 2 2 360.448 3.605 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422900678 943324666 /nfs/dbraw/zinc/32/46/66/943324666.db2.gz ARBJADUMUNETMR-ICSRJNTNSA-N 2 2 359.539 3.866 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(CNc3ccc(N4CCCC4)c[nH+]3)sc2C1 ZINC000425340860 943337597 /nfs/dbraw/zinc/33/75/97/943337597.db2.gz BNWJQPOXCVKOFG-UHFFFAOYSA-N 2 2 357.527 3.517 20 0 FHADLP CC(C)[N@H+]1CCc2nc(CNc3ccc(N4CCCC4)c[nH+]3)sc2C1 ZINC000425340860 943337608 /nfs/dbraw/zinc/33/76/08/943337608.db2.gz BNWJQPOXCVKOFG-UHFFFAOYSA-N 2 2 357.527 3.517 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)ccc1OCCC(C)C ZINC000422949615 943346954 /nfs/dbraw/zinc/34/69/54/943346954.db2.gz UOWXDFMIDJHKIQ-LNLFQRSKSA-N 2 2 364.530 3.538 20 0 FHADLP COc1ccc([C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422960430 943350557 /nfs/dbraw/zinc/35/05/57/943350557.db2.gz WJAIZBCJEREBKC-UNMCSNQZSA-N 2 2 366.509 3.986 20 0 FHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375154 943356468 /nfs/dbraw/zinc/35/64/68/943356468.db2.gz SPTGYXVPLMAVMG-NEPJUHHUSA-N 2 2 366.328 3.742 20 0 FHADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375154 943356474 /nfs/dbraw/zinc/35/64/74/943356474.db2.gz SPTGYXVPLMAVMG-NEPJUHHUSA-N 2 2 366.328 3.742 20 0 FHADLP COc1ccc([C@@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422980321 943357109 /nfs/dbraw/zinc/35/71/09/943357109.db2.gz LMHPCWYRIMEMGC-TZIWHRDSSA-N 2 2 352.482 3.596 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C)[nH+]1 ZINC000417133577 943364934 /nfs/dbraw/zinc/36/49/34/943364934.db2.gz BZJASVQBONNAHJ-KRWDZBQOSA-N 2 2 352.482 3.745 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(C)[nH+]1 ZINC000417133577 943364944 /nfs/dbraw/zinc/36/49/44/943364944.db2.gz BZJASVQBONNAHJ-KRWDZBQOSA-N 2 2 352.482 3.745 20 0 FHADLP COc1cc(C[NH+]2CCC([NH3+])CC2)ccc1OCc1ccc(Cl)cc1 ZINC000435378988 943368028 /nfs/dbraw/zinc/36/80/28/943368028.db2.gz KVTPNUAKZCZWNA-UHFFFAOYSA-N 2 2 360.885 3.851 20 0 FHADLP C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038395 943373836 /nfs/dbraw/zinc/37/38/36/943373836.db2.gz YQPNEKRTUZDVGP-IGNZVWTISA-N 2 2 353.913 3.591 20 0 FHADLP C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038395 943373839 /nfs/dbraw/zinc/37/38/39/943373839.db2.gz YQPNEKRTUZDVGP-IGNZVWTISA-N 2 2 353.913 3.591 20 0 FHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423043089 943375811 /nfs/dbraw/zinc/37/58/11/943375811.db2.gz NGSNIRBZDHVYMJ-HNHYXYPQSA-N 2 2 352.404 3.858 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423101067 943394683 /nfs/dbraw/zinc/39/46/83/943394683.db2.gz HWJPGLRCBJDKAP-BNEJOLLZSA-N 2 2 356.432 3.698 20 0 FHADLP COc1ccc([C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423116148 943395544 /nfs/dbraw/zinc/39/55/44/943395544.db2.gz ZRGCLBVUJIOVQJ-CTNGQTDRSA-N 2 2 351.494 3.595 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428347 943407296 /nfs/dbraw/zinc/40/72/96/943407296.db2.gz RWFPQVNHFBVZIX-AQDCRGGLSA-N 2 2 350.510 3.561 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428347 943407299 /nfs/dbraw/zinc/40/72/99/943407299.db2.gz RWFPQVNHFBVZIX-AQDCRGGLSA-N 2 2 350.510 3.561 20 0 FHADLP COc1ccc([C@H]([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c2ccco2)cc1 ZINC000423171205 943425246 /nfs/dbraw/zinc/42/52/46/943425246.db2.gz ZRMXYUGJQRNLMT-VFNWGFHPSA-N 2 2 351.450 3.891 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423235616 943443064 /nfs/dbraw/zinc/44/30/64/943443064.db2.gz GSOSZLDXEWCMLH-IERDGZPVSA-N 2 2 353.510 3.862 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000515038999 943466591 /nfs/dbraw/zinc/46/65/91/943466591.db2.gz WKBOBGQAUKXRHB-SLFFLAALSA-N 2 2 367.541 3.709 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000515038999 943466593 /nfs/dbraw/zinc/46/65/93/943466593.db2.gz WKBOBGQAUKXRHB-SLFFLAALSA-N 2 2 367.541 3.709 20 0 FHADLP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423275556 943469217 /nfs/dbraw/zinc/46/92/17/943469217.db2.gz LSZSNOHAZKTOSI-SFHVURJKSA-N 2 2 370.541 3.962 20 0 FHADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299365 943476019 /nfs/dbraw/zinc/47/60/19/943476019.db2.gz PXYJIOOWWKWZTK-DOTOQJQBSA-N 2 2 352.544 3.571 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000423335881 943483400 /nfs/dbraw/zinc/48/34/00/943483400.db2.gz PZOKITKEILMZML-DZFGPLHGSA-N 2 2 370.468 3.566 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3c2ccc(OC)c3F)cc1 ZINC000423342125 943484830 /nfs/dbraw/zinc/48/48/30/943484830.db2.gz VBEYKDKUTLIJBI-PWIZWCRZSA-N 2 2 370.468 3.566 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423374084 943490454 /nfs/dbraw/zinc/49/04/54/943490454.db2.gz HQISZVWGMSQDHT-DYVFJYSZSA-N 2 2 355.320 3.504 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423377771 943495033 /nfs/dbraw/zinc/49/50/33/943495033.db2.gz FISXUNAMAABWDE-WDEREUQCSA-N 2 2 365.827 3.664 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069552 943496459 /nfs/dbraw/zinc/49/64/59/943496459.db2.gz XRNUKCOSBLHLFT-FZKQIMNGSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069552 943496461 /nfs/dbraw/zinc/49/64/61/943496461.db2.gz XRNUKCOSBLHLFT-FZKQIMNGSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000515069552 943496467 /nfs/dbraw/zinc/49/64/67/943496467.db2.gz XRNUKCOSBLHLFT-FZKQIMNGSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000515069552 943496472 /nfs/dbraw/zinc/49/64/72/943496472.db2.gz XRNUKCOSBLHLFT-FZKQIMNGSA-N 2 2 356.432 3.686 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@H+]2C)o1 ZINC000504123255 943505092 /nfs/dbraw/zinc/50/50/92/943505092.db2.gz YUGKNTCGIAYYDM-IBGZPJMESA-N 2 2 350.466 3.625 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CCC[N@@H+]2C)o1 ZINC000504123255 943505095 /nfs/dbraw/zinc/50/50/95/943505095.db2.gz YUGKNTCGIAYYDM-IBGZPJMESA-N 2 2 350.466 3.625 20 0 FHADLP CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435628689 943527454 /nfs/dbraw/zinc/52/74/54/943527454.db2.gz RLYOEHMSQKERLE-HNNXBMFYSA-N 2 2 368.403 3.719 20 0 FHADLP CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435628689 943527459 /nfs/dbraw/zinc/52/74/59/943527459.db2.gz RLYOEHMSQKERLE-HNNXBMFYSA-N 2 2 368.403 3.719 20 0 FHADLP CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435630266 943528813 /nfs/dbraw/zinc/52/88/13/943528813.db2.gz ZXCVPGYEYKFROQ-HNNXBMFYSA-N 2 2 368.403 3.719 20 0 FHADLP CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435630266 943528818 /nfs/dbraw/zinc/52/88/18/943528818.db2.gz ZXCVPGYEYKFROQ-HNNXBMFYSA-N 2 2 368.403 3.719 20 0 FHADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423499600 943529613 /nfs/dbraw/zinc/52/96/13/943529613.db2.gz CFFSDRVZYNQVEC-MGPUTAFESA-N 2 2 364.555 3.571 20 0 FHADLP Clc1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492227 943536393 /nfs/dbraw/zinc/53/63/93/943536393.db2.gz MGKDXGSVKPQYNB-CJNGLKHVSA-N 2 2 373.722 3.522 20 0 FHADLP Clc1cc(Br)ccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492228 943536492 /nfs/dbraw/zinc/53/64/92/943536492.db2.gz MGKDXGSVKPQYNB-CZUORRHYSA-N 2 2 373.722 3.522 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423517119 943543154 /nfs/dbraw/zinc/54/31/54/943543154.db2.gz YOPSPQZKUZHEQH-VFNWGFHPSA-N 2 2 366.509 3.884 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCC3)cc1 ZINC000423552399 943555937 /nfs/dbraw/zinc/55/59/37/943555937.db2.gz JVMVRTVKOQBFHI-RDJZCZTQSA-N 2 2 357.523 3.928 20 0 FHADLP CCCC/C=C/CC(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270013215 943608226 /nfs/dbraw/zinc/60/82/26/943608226.db2.gz ACQDHRUXYGBTMD-DXRKNVDNSA-N 2 2 358.530 3.571 20 0 FHADLP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000660246310 943750108 /nfs/dbraw/zinc/75/01/08/943750108.db2.gz ZTKLTTSULUOIRM-HXUWFJFHSA-N 2 2 374.573 3.660 20 0 FHADLP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000515289036 943763000 /nfs/dbraw/zinc/76/30/00/943763000.db2.gz RKOYVQMGGHCSPP-UHFFFAOYSA-N 2 2 363.509 3.748 20 0 FHADLP c1cn(Cc2ccc(C[NH2+][C@@H](c3ccccc3)c3cncnc3)cc2)c[nH+]1 ZINC000516894525 943810184 /nfs/dbraw/zinc/81/01/84/943810184.db2.gz ILIPZJRCWUCEHQ-QFIPXVFZSA-N 2 2 355.445 3.601 20 0 FHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000584868294 943830501 /nfs/dbraw/zinc/83/05/01/943830501.db2.gz XQUREAWNLHLIPE-MDNBWPLSSA-N 2 2 356.482 3.718 20 0 FHADLP Cc1cc2ncc([C@H](C)[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c(C)n2n1 ZINC000120148715 944096162 /nfs/dbraw/zinc/09/61/62/944096162.db2.gz LZZFKIKLGIQERZ-KRWDZBQOSA-N 2 2 363.509 3.661 20 0 FHADLP CCC([NH3+])(CC)C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000414814355 944117522 /nfs/dbraw/zinc/11/75/22/944117522.db2.gz VIRLLLULFJSECP-UHFFFAOYSA-N 2 2 365.319 3.550 20 0 FHADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436255212 944147900 /nfs/dbraw/zinc/14/79/00/944147900.db2.gz XGHJGLCIZGNGTH-INIZCTEOSA-N 2 2 364.839 3.541 20 0 FHADLP CC(C)Oc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425926609 944198931 /nfs/dbraw/zinc/19/89/31/944198931.db2.gz PMKQJIBXZSDTPS-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425926609 944198934 /nfs/dbraw/zinc/19/89/34/944198934.db2.gz PMKQJIBXZSDTPS-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425926609 944198939 /nfs/dbraw/zinc/19/89/39/944198939.db2.gz PMKQJIBXZSDTPS-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425926609 944198944 /nfs/dbraw/zinc/19/89/44/944198944.db2.gz PMKQJIBXZSDTPS-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934072 944216770 /nfs/dbraw/zinc/21/67/70/944216770.db2.gz YZLPZEXXTWOTMA-KKSFZXQISA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425934072 944216775 /nfs/dbraw/zinc/21/67/75/944216775.db2.gz YZLPZEXXTWOTMA-KKSFZXQISA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425934072 944216777 /nfs/dbraw/zinc/21/67/77/944216777.db2.gz YZLPZEXXTWOTMA-KKSFZXQISA-N 2 2 360.448 3.595 20 0 FHADLP C[C@@H](c1ccc(F)c(F)c1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425934072 944216782 /nfs/dbraw/zinc/21/67/82/944216782.db2.gz YZLPZEXXTWOTMA-KKSFZXQISA-N 2 2 360.448 3.595 20 0 FHADLP CC[NH+]1CCC(n2nccc2NCc2cc(C)[nH+]c3c2CCCC3)CC1 ZINC000893339408 944244751 /nfs/dbraw/zinc/24/47/51/944244751.db2.gz YGNQWZPMEYJBDA-UHFFFAOYSA-N 2 2 353.514 3.734 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414883004 944247589 /nfs/dbraw/zinc/24/75/89/944247589.db2.gz MMVBICKJNTVOKG-RTBURBONSA-N 2 2 362.420 3.532 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000390526210 944377698 /nfs/dbraw/zinc/37/76/98/944377698.db2.gz CNMWFZJOCKXWNJ-NRFANRHFSA-N 2 2 366.505 3.848 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000390526210 944377705 /nfs/dbraw/zinc/37/77/05/944377705.db2.gz CNMWFZJOCKXWNJ-NRFANRHFSA-N 2 2 366.505 3.848 20 0 FHADLP C[C@@H](Cc1ccccc1F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000438180592 944390255 /nfs/dbraw/zinc/39/02/55/944390255.db2.gz PZDAVHQSJMKPMI-INIZCTEOSA-N 2 2 356.489 3.794 20 0 FHADLP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1F ZINC000517626009 944442188 /nfs/dbraw/zinc/44/21/88/944442188.db2.gz SIKTYQRLPXETPE-UHFFFAOYSA-N 2 2 358.486 3.637 20 0 FHADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(F)c1 ZINC000516030755 944443768 /nfs/dbraw/zinc/44/37/68/944443768.db2.gz VNQRQGCOXXXIOZ-HXUWFJFHSA-N 2 2 355.457 3.581 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc(N2CCCC2)n1 ZINC000426340812 944494044 /nfs/dbraw/zinc/49/40/44/944494044.db2.gz WBCBIWJWYWAPDP-UWJYYQICSA-N 2 2 371.573 3.518 20 0 FHADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660418507 944604458 /nfs/dbraw/zinc/60/44/58/944604458.db2.gz BKJXDDKVBMYXPM-NQIIRXRSSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660418507 944604464 /nfs/dbraw/zinc/60/44/64/944604464.db2.gz BKJXDDKVBMYXPM-NQIIRXRSSA-N 2 2 356.510 3.617 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585481 944642221 /nfs/dbraw/zinc/64/22/21/944642221.db2.gz GUKJOMOLHYODAD-ADAARDCZSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585481 944642225 /nfs/dbraw/zinc/64/22/25/944642225.db2.gz GUKJOMOLHYODAD-ADAARDCZSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506585481 944642227 /nfs/dbraw/zinc/64/22/27/944642227.db2.gz GUKJOMOLHYODAD-ADAARDCZSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506585481 944642234 /nfs/dbraw/zinc/64/22/34/944642234.db2.gz GUKJOMOLHYODAD-ADAARDCZSA-N 2 2 363.590 3.751 20 0 FHADLP Cn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390668950 944674751 /nfs/dbraw/zinc/67/47/51/944674751.db2.gz RNNXNVIRKMJMAU-OAQYLSRUSA-N 2 2 362.521 3.964 20 0 FHADLP Cn1c2ccccc2nc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390668950 944674756 /nfs/dbraw/zinc/67/47/56/944674756.db2.gz RNNXNVIRKMJMAU-OAQYLSRUSA-N 2 2 362.521 3.964 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1O ZINC000426407886 944715733 /nfs/dbraw/zinc/71/57/33/944715733.db2.gz XVIRHFITYPRXLE-QGZVFWFLSA-N 2 2 365.477 3.757 20 0 FHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020848 944717187 /nfs/dbraw/zinc/71/71/87/944717187.db2.gz YRXSBFDSLKAIJM-HKUYNNGSSA-N 2 2 350.572 3.787 20 0 FHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020848 944717191 /nfs/dbraw/zinc/71/71/91/944717191.db2.gz YRXSBFDSLKAIJM-HKUYNNGSSA-N 2 2 350.572 3.787 20 0 FHADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390692740 944728907 /nfs/dbraw/zinc/72/89/07/944728907.db2.gz QJAHVXITJOGPRB-HSZRJFAPSA-N 2 2 368.521 3.855 20 0 FHADLP CC(C)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390692740 944728912 /nfs/dbraw/zinc/72/89/12/944728912.db2.gz QJAHVXITJOGPRB-HSZRJFAPSA-N 2 2 368.521 3.855 20 0 FHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000518868086 944875594 /nfs/dbraw/zinc/87/55/94/944875594.db2.gz NFVGNWSXYPWLPG-NRFANRHFSA-N 2 2 366.509 3.647 20 0 FHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000518868086 944875603 /nfs/dbraw/zinc/87/56/03/944875603.db2.gz NFVGNWSXYPWLPG-NRFANRHFSA-N 2 2 366.509 3.647 20 0 FHADLP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000414940895 944923120 /nfs/dbraw/zinc/92/31/20/944923120.db2.gz KYFUEAFRZFRRFI-NRFANRHFSA-N 2 2 367.537 3.856 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000414944124 944971493 /nfs/dbraw/zinc/97/14/93/944971493.db2.gz OWZYFKKBDODHSH-KQLYMOGASA-N 2 2 354.494 3.797 20 0 FHADLP Clc1cccc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660476537 945002947 /nfs/dbraw/zinc/00/29/47/945002947.db2.gz ZLURTKJTXVPPAO-QGZVFWFLSA-N 2 2 354.947 3.619 20 0 FHADLP Clc1cccc(SCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660476537 945002956 /nfs/dbraw/zinc/00/29/56/945002956.db2.gz ZLURTKJTXVPPAO-QGZVFWFLSA-N 2 2 354.947 3.619 20 0 FHADLP Clc1cccc(SCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660476536 945003548 /nfs/dbraw/zinc/00/35/48/945003548.db2.gz ZLURTKJTXVPPAO-KRWDZBQOSA-N 2 2 354.947 3.619 20 0 FHADLP Clc1cccc(SCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660476536 945003558 /nfs/dbraw/zinc/00/35/58/945003558.db2.gz ZLURTKJTXVPPAO-KRWDZBQOSA-N 2 2 354.947 3.619 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc3cccnc32)cc1F ZINC000414951359 945030625 /nfs/dbraw/zinc/03/06/25/945030625.db2.gz PTTSCFSUYNVSFX-FXAWDEMLSA-N 2 2 353.416 3.748 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1F ZINC000414951361 945030983 /nfs/dbraw/zinc/03/09/83/945030983.db2.gz PTTSCFSUYNVSFX-PXNSSMCTSA-N 2 2 353.416 3.748 20 0 FHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000519033206 945047826 /nfs/dbraw/zinc/04/78/26/945047826.db2.gz IKDWUOCUGPBFBH-PXNSSMCTSA-N 2 2 353.514 3.781 20 0 FHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000519033207 945047994 /nfs/dbraw/zinc/04/79/94/945047994.db2.gz IKDWUOCUGPBFBH-XLIONFOSSA-N 2 2 353.514 3.781 20 0 FHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167038 945057782 /nfs/dbraw/zinc/05/77/82/945057782.db2.gz INLBLHJNTJSXJN-LHRDXKRPSA-N 2 2 354.523 3.538 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167038 945057796 /nfs/dbraw/zinc/05/77/96/945057796.db2.gz INLBLHJNTJSXJN-LHRDXKRPSA-N 2 2 354.523 3.538 20 0 FHADLP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000519731877 945695222 /nfs/dbraw/zinc/69/52/22/945695222.db2.gz HWUDZFMRQKJBBQ-OAHLLOKOSA-N 2 2 355.929 3.762 20 0 FHADLP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000519731877 945695226 /nfs/dbraw/zinc/69/52/26/945695226.db2.gz HWUDZFMRQKJBBQ-OAHLLOKOSA-N 2 2 355.929 3.762 20 0 FHADLP CCCC[C@@H](C)N(CCCC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551884 945730946 /nfs/dbraw/zinc/73/09/46/945730946.db2.gz HLYJZWWEHBHBMF-RTBURBONSA-N 2 2 366.594 3.545 20 0 FHADLP CCCC[C@@H](C)N(CCCC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551884 945730950 /nfs/dbraw/zinc/73/09/50/945730950.db2.gz HLYJZWWEHBHBMF-RTBURBONSA-N 2 2 366.594 3.545 20 0 FHADLP C[C@H](Nc1cc[nH+]c2ccc(Br)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000301185865 945768312 /nfs/dbraw/zinc/76/83/12/945768312.db2.gz JSBJZDBRPYGRHJ-STQMWFEESA-N 2 2 364.287 3.518 20 0 FHADLP c1coc(C2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000661160750 945794440 /nfs/dbraw/zinc/79/44/40/945794440.db2.gz CQAFXEFBJJSKKE-OAQYLSRUSA-N 2 2 354.494 3.750 20 0 FHADLP c1coc(C2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000661160750 945794448 /nfs/dbraw/zinc/79/44/48/945794448.db2.gz CQAFXEFBJJSKKE-OAQYLSRUSA-N 2 2 354.494 3.750 20 0 FHADLP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001271551675 945850144 /nfs/dbraw/zinc/85/01/44/945850144.db2.gz HCJXUKCRLNMPKF-OHSMVPPVSA-N 2 2 360.546 3.670 20 0 FHADLP CCCC[C@H](CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001271551675 945850155 /nfs/dbraw/zinc/85/01/55/945850155.db2.gz HCJXUKCRLNMPKF-OHSMVPPVSA-N 2 2 360.546 3.670 20 0 FHADLP Cc1nc(NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301714276 945930209 /nfs/dbraw/zinc/93/02/09/945930209.db2.gz ZHYNKPNFGXGBLD-GJZGRUSLSA-N 2 2 354.498 3.623 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2nc(N)c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301914583 946035289 /nfs/dbraw/zinc/03/52/89/946035289.db2.gz UXORBTFLOOWPGS-SUMWQHHRSA-N 2 2 353.495 3.769 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2nc(N)c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301914583 946035301 /nfs/dbraw/zinc/03/53/01/946035301.db2.gz UXORBTFLOOWPGS-SUMWQHHRSA-N 2 2 353.495 3.769 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453290 946122979 /nfs/dbraw/zinc/12/29/79/946122979.db2.gz BNGWLOWSWTWTNM-LVCYWYKZSA-N 2 2 356.510 3.790 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453290 946122980 /nfs/dbraw/zinc/12/29/80/946122980.db2.gz BNGWLOWSWTWTNM-LVCYWYKZSA-N 2 2 356.510 3.790 20 0 FHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520177497 946237377 /nfs/dbraw/zinc/23/73/77/946237377.db2.gz VWGGDGAJSWDGKH-IBGZPJMESA-N 2 2 360.461 3.723 20 0 FHADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520177497 946237387 /nfs/dbraw/zinc/23/73/87/946237387.db2.gz VWGGDGAJSWDGKH-IBGZPJMESA-N 2 2 360.461 3.723 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247330 946341940 /nfs/dbraw/zinc/34/19/40/946341940.db2.gz RGKSMIKWJJEXFQ-HFTRVMKXSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247330 946341954 /nfs/dbraw/zinc/34/19/54/946341954.db2.gz RGKSMIKWJJEXFQ-HFTRVMKXSA-N 2 2 373.324 3.556 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302920278 946385518 /nfs/dbraw/zinc/38/55/18/946385518.db2.gz ZCPZEABGQRSAKG-BEFAXECRSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000302920278 946385531 /nfs/dbraw/zinc/38/55/31/946385531.db2.gz ZCPZEABGQRSAKG-BEFAXECRSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302920278 946385543 /nfs/dbraw/zinc/38/55/43/946385543.db2.gz ZCPZEABGQRSAKG-BEFAXECRSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@H]1c1cccs1 ZINC000302920278 946385556 /nfs/dbraw/zinc/38/55/56/946385556.db2.gz ZCPZEABGQRSAKG-BEFAXECRSA-N 2 2 357.527 3.633 20 0 FHADLP CC1(C)CC([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC(C)(C)[NH2+]1 ZINC000103341067 946444335 /nfs/dbraw/zinc/44/43/35/946444335.db2.gz QDYWYIQWQZZKID-UHFFFAOYSA-N 2 2 373.522 3.938 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000441362323 946474717 /nfs/dbraw/zinc/47/47/17/946474717.db2.gz HKMCZOGIPSFFHX-RXVVDRJESA-N 2 2 362.477 3.858 20 0 FHADLP Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(-c2ccnn2C)c1 ZINC000520419544 946565414 /nfs/dbraw/zinc/56/54/14/946565414.db2.gz BVQGLRMTTFLOJW-UHFFFAOYSA-N 2 2 357.461 3.871 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811190 /nfs/dbraw/zinc/81/11/90/946811190.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811200 /nfs/dbraw/zinc/81/12/00/946811200.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811211 /nfs/dbraw/zinc/81/12/11/946811211.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)C2)cc1 ZINC000661877815 946811226 /nfs/dbraw/zinc/81/12/26/946811226.db2.gz ZMNQRIACFCTGGG-VABKMULXSA-N 2 2 372.553 3.559 20 0 FHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CCSCC1 ZINC000475331231 946893300 /nfs/dbraw/zinc/89/33/00/946893300.db2.gz BWLHHXUVJBDWBU-UWTIGNOOSA-N 2 2 350.494 3.913 20 0 FHADLP Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000124312464 946942289 /nfs/dbraw/zinc/94/22/89/946942289.db2.gz DPALIIBTNSFGFY-UHFFFAOYSA-N 2 2 356.470 3.851 20 0 FHADLP Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)c2cc(F)ccc2[nH+]1 ZINC000124312464 946942294 /nfs/dbraw/zinc/94/22/94/946942294.db2.gz DPALIIBTNSFGFY-UHFFFAOYSA-N 2 2 356.470 3.851 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@@H](Oc4ccccc4)C3)sc2C1 ZINC000418103848 946948878 /nfs/dbraw/zinc/94/88/78/946948878.db2.gz WVDYLEOJTYYPMB-GOSISDBHSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H](Oc4ccccc4)C3)sc2C1 ZINC000418103848 946948892 /nfs/dbraw/zinc/94/88/92/946948892.db2.gz WVDYLEOJTYYPMB-GOSISDBHSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@@H](Oc4ccccc4)C3)sc2C1 ZINC000418103848 946948884 /nfs/dbraw/zinc/94/88/84/946948884.db2.gz WVDYLEOJTYYPMB-GOSISDBHSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)sc2C1 ZINC000418103848 946948901 /nfs/dbraw/zinc/94/89/01/946948901.db2.gz WVDYLEOJTYYPMB-GOSISDBHSA-N 2 2 371.550 3.953 20 0 FHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909606249 947024031 /nfs/dbraw/zinc/02/40/31/947024031.db2.gz VUTPSTBGTQHKRG-UHFFFAOYSA-N 2 2 372.419 3.632 20 0 FHADLP Fc1ccccc1-c1noc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000444606776 947032936 /nfs/dbraw/zinc/03/29/36/947032936.db2.gz HEYXWKUGPKKZOY-UHFFFAOYSA-N 2 2 369.444 3.765 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692745 947222535 /nfs/dbraw/zinc/22/25/35/947222535.db2.gz VYRZDZDQJLTVNL-GOTSBHOMSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692745 947222545 /nfs/dbraw/zinc/22/25/45/947222545.db2.gz VYRZDZDQJLTVNL-GOTSBHOMSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692745 947222554 /nfs/dbraw/zinc/22/25/54/947222554.db2.gz VYRZDZDQJLTVNL-GOTSBHOMSA-N 2 2 372.553 3.701 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+](C[C@@H]3CCCO3)C3CCCC3)C2)cc1 ZINC000429692745 947222564 /nfs/dbraw/zinc/22/25/64/947222564.db2.gz VYRZDZDQJLTVNL-GOTSBHOMSA-N 2 2 372.553 3.701 20 0 FHADLP c1csc(C[NH+]2CCC(CNc3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000301246458 947249477 /nfs/dbraw/zinc/24/94/77/947249477.db2.gz OFDBWXGXUVJNFC-UHFFFAOYSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[NH+]2CCC(CNc3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000301246458 947249485 /nfs/dbraw/zinc/24/94/85/947249485.db2.gz OFDBWXGXUVJNFC-UHFFFAOYSA-N 2 2 371.554 3.853 20 0 FHADLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301427822 947338090 /nfs/dbraw/zinc/33/80/90/947338090.db2.gz UPNLYYQPWRUALA-UHFFFAOYSA-N 2 2 369.900 3.561 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)c1OC ZINC000796702778 947412624 /nfs/dbraw/zinc/41/26/24/947412624.db2.gz OROXGTQHBUJVMY-HNAYVOBHSA-N 2 2 359.514 3.844 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309801 947739847 /nfs/dbraw/zinc/73/98/47/947739847.db2.gz DTNYYHPKLYSMQE-NQIIRXRSSA-N 2 2 372.484 3.729 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309801 947739850 /nfs/dbraw/zinc/73/98/50/947739850.db2.gz DTNYYHPKLYSMQE-NQIIRXRSSA-N 2 2 372.484 3.729 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCNc4ccccc43)[nH+]c2)CC1 ZINC000278907060 948067774 /nfs/dbraw/zinc/06/77/74/948067774.db2.gz ZWEZYJCOBCUEMY-OAQYLSRUSA-N 2 2 365.525 3.971 20 0 FHADLP COc1cc(Cl)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432366392 948227731 /nfs/dbraw/zinc/22/77/31/948227731.db2.gz AWFOFPNEVPVGSH-CYBMUJFWSA-N 2 2 361.313 3.593 20 0 FHADLP COc1cc(Cl)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Cl ZINC000432366392 948227738 /nfs/dbraw/zinc/22/77/38/948227738.db2.gz AWFOFPNEVPVGSH-CYBMUJFWSA-N 2 2 361.313 3.593 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000512097072 948408523 /nfs/dbraw/zinc/40/85/23/948408523.db2.gz BSXRBQNSJUBCEK-INIZCTEOSA-N 2 2 367.465 3.973 20 0 FHADLP COc1cc([C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1OC(C)C ZINC000512113373 948453007 /nfs/dbraw/zinc/45/30/07/948453007.db2.gz IPCJEWNTVZMTPE-AWEZNQCLSA-N 2 2 363.527 3.851 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000512124938 948487397 /nfs/dbraw/zinc/48/73/97/948487397.db2.gz VDZFCPKECWGVFM-UHFFFAOYSA-N 3 2 372.582 3.871 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110335 948641009 /nfs/dbraw/zinc/64/10/09/948641009.db2.gz ISKJQOBNJDRXDQ-IYARVYRRSA-N 2 2 355.530 3.926 20 0 FHADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000279235291 948650920 /nfs/dbraw/zinc/65/09/20/948650920.db2.gz ZDXYNHJPEPFIRT-SFHVURJKSA-N 2 2 373.566 3.687 20 0 FHADLP CC(C)(C)c1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000279235291 948650922 /nfs/dbraw/zinc/65/09/22/948650922.db2.gz ZDXYNHJPEPFIRT-SFHVURJKSA-N 2 2 373.566 3.687 20 0 FHADLP c1cn(CCc2ccccc2)c(CNc2cc[nH+]c(N3CCCCC3)n2)[nH+]1 ZINC000509588936 515247975 /nfs/dbraw/zinc/24/79/75/515247975.db2.gz ZIQKDLYAMHGVRV-UHFFFAOYSA-N 2 2 362.481 3.518 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc4c(c3)CC(C)(C)O4)[nH+]c2)C1 ZINC000532993430 517242521 /nfs/dbraw/zinc/24/25/21/517242521.db2.gz JASKBSIPRVUAGP-LJQANCHMSA-N 2 2 366.509 3.548 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000275702759 527513021 /nfs/dbraw/zinc/51/30/21/527513021.db2.gz XTEZCGXAOXCRHR-SJLPKXTDSA-N 2 2 356.857 3.632 20 0 FHADLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ncc(Br)cc2F)CC1 ZINC000186979327 568034139 /nfs/dbraw/zinc/03/41/39/568034139.db2.gz ZCZYOXBLQJCCMG-GFCCVEGCSA-N 2 2 358.299 3.754 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)n1 ZINC000602822252 568045430 /nfs/dbraw/zinc/04/54/30/568045430.db2.gz UKZWBPMCILEOIA-ZDUSSCGKSA-N 2 2 368.437 3.517 20 0 FHADLP Cc1[nH+]ccn1CCCNC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000603860069 568170436 /nfs/dbraw/zinc/17/04/36/568170436.db2.gz FSNQVSXNPUWIDF-UHFFFAOYSA-N 2 2 370.840 3.852 20 0 FHADLP O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000071964775 568334335 /nfs/dbraw/zinc/33/43/35/568334335.db2.gz BWFFIXBBHHXERN-LJQANCHMSA-N 2 2 365.304 3.502 20 0 FHADLP O[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000071964775 568334336 /nfs/dbraw/zinc/33/43/36/568334336.db2.gz BWFFIXBBHHXERN-LJQANCHMSA-N 2 2 365.304 3.502 20 0 FHADLP CCCn1cc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891391 568381859 /nfs/dbraw/zinc/38/18/59/568381859.db2.gz BHQSVVSMNGYRGC-OAQYLSRUSA-N 2 2 354.542 3.856 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165656 568594086 /nfs/dbraw/zinc/59/40/86/568594086.db2.gz ONNPWCBJQXWQRG-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165656 568594088 /nfs/dbraw/zinc/59/40/88/568594088.db2.gz ONNPWCBJQXWQRG-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000365409675 568629318 /nfs/dbraw/zinc/62/93/18/568629318.db2.gz LBYUDNAXRZQSQH-UHFFFAOYSA-N 2 2 351.450 3.621 20 0 FHADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC000328656384 571326263 /nfs/dbraw/zinc/32/62/63/571326263.db2.gz ZHAKHCMXOVJJNQ-QGZVFWFLSA-N 2 2 367.522 3.506 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1cccc3c[nH]nc31)CC2 ZINC000328656384 571326264 /nfs/dbraw/zinc/32/62/64/571326264.db2.gz ZHAKHCMXOVJJNQ-QGZVFWFLSA-N 2 2 367.522 3.506 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807964 720111078 /nfs/dbraw/zinc/11/10/78/720111078.db2.gz DBVLFHZPDXQYRW-WMZHIEFXSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807964 720111087 /nfs/dbraw/zinc/11/10/87/720111087.db2.gz DBVLFHZPDXQYRW-WMZHIEFXSA-N 2 2 365.521 3.728 20 0 FHADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836807 720556618 /nfs/dbraw/zinc/55/66/18/720556618.db2.gz LFOUSPYWMAKYCK-ACRUOGEOSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164836807 720556622 /nfs/dbraw/zinc/55/66/22/720556622.db2.gz LFOUSPYWMAKYCK-ACRUOGEOSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788896 721411186 /nfs/dbraw/zinc/41/11/86/721411186.db2.gz SLGOGQZGFBXURP-IYBDPMFKSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164788896 721411189 /nfs/dbraw/zinc/41/11/89/721411189.db2.gz SLGOGQZGFBXURP-IYBDPMFKSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028128 721815921 /nfs/dbraw/zinc/81/59/21/721815921.db2.gz WEWKQUHKIKBWGW-XKGZKEIXSA-N 2 2 354.473 3.661 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028128 721815922 /nfs/dbraw/zinc/81/59/22/721815922.db2.gz WEWKQUHKIKBWGW-XKGZKEIXSA-N 2 2 354.473 3.661 20 0 FHADLP CCOC(=O)c1c(C)cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]c1C ZINC001165046657 721972426 /nfs/dbraw/zinc/97/24/26/721972426.db2.gz CJAVYEIZLAPYAZ-GOSISDBHSA-N 2 2 359.514 3.720 20 0 FHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)c(OC)c1 ZINC000121343880 936312560 /nfs/dbraw/zinc/31/25/60/936312560.db2.gz LMYXALRGWMQPDA-GOSISDBHSA-N 2 2 355.482 3.809 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000582968989 936331827 /nfs/dbraw/zinc/33/18/27/936331827.db2.gz XEMPKYRCRQEIAZ-OLZOCXBDSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000582968989 936331832 /nfs/dbraw/zinc/33/18/32/936331832.db2.gz XEMPKYRCRQEIAZ-OLZOCXBDSA-N 2 2 364.287 3.521 20 0 FHADLP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657719277 936381348 /nfs/dbraw/zinc/38/13/48/936381348.db2.gz LSIIQGWDZASQPP-UHFFFAOYSA-N 2 2 370.516 3.623 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000583051165 937080333 /nfs/dbraw/zinc/08/03/33/937080333.db2.gz CIRAEOPLXKDZIB-XXBNENTESA-N 2 2 360.505 3.684 20 0 FHADLP CCCC[NH+]1CCC([NH2+][C@H]2CCCc3oc(C(=O)OCC)c(C)c32)CC1 ZINC000583064232 937088850 /nfs/dbraw/zinc/08/88/50/937088850.db2.gz JHRHLDIEEILLGT-KRWDZBQOSA-N 2 2 362.514 3.996 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(C(F)(F)F)cs1 ZINC000274611410 927237312 /nfs/dbraw/zinc/23/73/12/927237312.db2.gz NNYMCEUJVWDXMD-LLVKDONJSA-N 2 2 356.417 3.877 20 0 FHADLP CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000510088759 928034029 /nfs/dbraw/zinc/03/40/29/928034029.db2.gz ULMUJVFUHVPXCT-UHFFFAOYSA-N 2 2 369.509 3.982 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394606942 928360321 /nfs/dbraw/zinc/36/03/21/928360321.db2.gz GFIQGLNPMMJAAI-SNVBAGLBSA-N 2 2 373.092 3.586 20 0 FHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229288 928391859 /nfs/dbraw/zinc/39/18/59/928391859.db2.gz ALJWVJKJWLAJGD-RXVVDRJESA-N 2 2 353.510 3.640 20 0 FHADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229288 928391874 /nfs/dbraw/zinc/39/18/74/928391874.db2.gz ALJWVJKJWLAJGD-RXVVDRJESA-N 2 2 353.510 3.640 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000162722465 937264676 /nfs/dbraw/zinc/26/46/76/937264676.db2.gz SUJVXUNOFYNMES-QINHECLXSA-N 2 2 355.482 3.701 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000162722465 937264680 /nfs/dbraw/zinc/26/46/80/937264680.db2.gz SUJVXUNOFYNMES-QINHECLXSA-N 2 2 355.482 3.701 20 0 FHADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000161601685 937266447 /nfs/dbraw/zinc/26/64/47/937266447.db2.gz FOMPZCSZPNWQHX-MRXNPFEDSA-N 2 2 365.949 3.702 20 0 FHADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)c2C1 ZINC000134781591 929238137 /nfs/dbraw/zinc/23/81/37/929238137.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[NH+]3CCc4ccccc4C3)c2C1 ZINC000134781591 929238147 /nfs/dbraw/zinc/23/81/47/929238147.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[NH+]1Cc2cccc(NC(=O)[C@@H](C)[N@@H+]3CCc4ccccc4C3)c2C1 ZINC000134781591 929238159 /nfs/dbraw/zinc/23/81/59/929238159.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 2 363.505 3.798 20 0 FHADLP CCC[NH+]1Cc2cccc(NC(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)c2C1 ZINC000134781591 929238172 /nfs/dbraw/zinc/23/81/72/929238172.db2.gz PQSZMWHKYWQBGX-QGZVFWFLSA-N 2 2 363.505 3.798 20 0 FHADLP Clc1ccccc1[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179991625 929292568 /nfs/dbraw/zinc/29/25/68/929292568.db2.gz YXOAQCXIFOQSPS-FQEVSTJZSA-N 2 2 369.852 3.687 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000180159385 929409156 /nfs/dbraw/zinc/40/91/56/929409156.db2.gz OAURHUDFWQEULX-WZONZLPQSA-N 2 2 350.506 3.850 20 0 FHADLP CC(C)(C)C1CCC(O)(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000180172373 929412256 /nfs/dbraw/zinc/41/22/56/929412256.db2.gz GGOSSTPNNKCCSN-UHFFFAOYSA-N 2 2 364.496 3.960 20 0 FHADLP FC(F)(F)c1ccc(Cl)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750603 937336066 /nfs/dbraw/zinc/33/60/66/937336066.db2.gz JRVDJJKSXFSZFZ-HNNXBMFYSA-N 2 2 362.823 3.702 20 0 FHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000162871394 937343102 /nfs/dbraw/zinc/34/31/02/937343102.db2.gz KJMURZPALDJTLO-INIZCTEOSA-N 2 2 354.454 3.581 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000533709281 929689828 /nfs/dbraw/zinc/68/98/28/929689828.db2.gz KQPNDGBIEBOQCC-QGZVFWFLSA-N 2 2 367.493 3.580 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[NH2+]1 ZINC001210495768 929856888 /nfs/dbraw/zinc/85/68/88/929856888.db2.gz BQEZQEWGVSYNLJ-CQSZACIVSA-N 2 2 365.399 3.831 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[NH2+]1 ZINC001210495768 929856900 /nfs/dbraw/zinc/85/69/00/929856900.db2.gz BQEZQEWGVSYNLJ-CQSZACIVSA-N 2 2 365.399 3.831 20 0 FHADLP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000126687279 937404338 /nfs/dbraw/zinc/40/43/38/937404338.db2.gz LUGZRVNDFXCSLC-OAQYLSRUSA-N 2 2 364.493 3.619 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCn2cc[nH+]c2)CCC3)cc1 ZINC000155704365 930557292 /nfs/dbraw/zinc/55/72/92/930557292.db2.gz OABHOUGMBJTNHX-INIZCTEOSA-N 2 2 354.479 3.682 20 0 FHADLP C[NH+](C)[C@H]1C[C@@H](CNc2cc[nH+]c3cc(F)c(Br)cc23)C1 ZINC000656211462 930643149 /nfs/dbraw/zinc/64/31/49/930643149.db2.gz FAXZMPUEVXREOC-PHIMTYICSA-N 2 2 352.251 3.889 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1nc(Br)cs1 ZINC000834589241 930786813 /nfs/dbraw/zinc/78/68/13/930786813.db2.gz IFJUCOJNOHGMJW-SNVBAGLBSA-N 2 2 372.307 3.957 20 0 FHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)cc(C)c1F ZINC001143380776 930991364 /nfs/dbraw/zinc/99/13/64/930991364.db2.gz VBPQJOYYAUUPLV-UHFFFAOYSA-N 2 2 372.484 3.903 20 0 FHADLP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)cc(C)c1F ZINC001143380776 930991367 /nfs/dbraw/zinc/99/13/67/930991367.db2.gz VBPQJOYYAUUPLV-UHFFFAOYSA-N 2 2 372.484 3.903 20 0 FHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281155 931056707 /nfs/dbraw/zinc/05/67/07/931056707.db2.gz OKDCIQUVRQUJKU-NRFANRHFSA-N 2 2 354.494 3.535 20 0 FHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281155 931056716 /nfs/dbraw/zinc/05/67/16/931056716.db2.gz OKDCIQUVRQUJKU-NRFANRHFSA-N 2 2 354.494 3.535 20 0 FHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744242 931091445 /nfs/dbraw/zinc/09/14/45/931091445.db2.gz IGPNZJWBRJWXIL-PXAZEXFGSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744242 931091454 /nfs/dbraw/zinc/09/14/54/931091454.db2.gz IGPNZJWBRJWXIL-PXAZEXFGSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744244 931091852 /nfs/dbraw/zinc/09/18/52/931091852.db2.gz IGPNZJWBRJWXIL-SJKOYZFVSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744244 931091862 /nfs/dbraw/zinc/09/18/62/931091862.db2.gz IGPNZJWBRJWXIL-SJKOYZFVSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000375635725 931165804 /nfs/dbraw/zinc/16/58/04/931165804.db2.gz QUYOFICKLXBGHH-SXLOBPIMSA-N 2 2 366.509 3.704 20 0 FHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003051 931311182 /nfs/dbraw/zinc/31/11/82/931311182.db2.gz AULTUEDSNDHKPW-UHFFFAOYSA-N 2 2 357.889 3.578 20 0 FHADLP c1ccc(C[C@@H]2CC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326168 /nfs/dbraw/zinc/32/61/68/931326168.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326175 /nfs/dbraw/zinc/32/61/75/931326175.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326182 /nfs/dbraw/zinc/32/61/82/931326182.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907547 931326186 /nfs/dbraw/zinc/32/61/86/931326186.db2.gz ORXYKIDEZLXNBV-GOTSBHOMSA-N 2 2 350.506 3.595 20 0 FHADLP Cc1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)c2c([nH+]1)CCCC2 ZINC000581053022 931527461 /nfs/dbraw/zinc/52/74/61/931527461.db2.gz WGQDDHGPCMTIFO-UHFFFAOYSA-N 2 2 356.436 3.517 20 0 FHADLP c1ccc(-c2nc3ccccn3c2C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430543152 931759526 /nfs/dbraw/zinc/75/95/26/931759526.db2.gz DKSIOBUZHDCRSR-UHFFFAOYSA-N 2 2 360.505 3.965 20 0 FHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc1 ZINC000430572411 931911567 /nfs/dbraw/zinc/91/15/67/931911567.db2.gz OCLAUCNXLJLOJP-OAQYLSRUSA-N 2 2 355.482 3.689 20 0 FHADLP c1cncc(COc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)c1 ZINC000430585364 931962511 /nfs/dbraw/zinc/96/25/11/931962511.db2.gz SDBHLZITKQFKDG-UHFFFAOYSA-N 2 2 351.494 3.625 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000581575603 932265228 /nfs/dbraw/zinc/26/52/28/932265228.db2.gz XPFIJSSAGRUXCS-UHFFFAOYSA-N 2 2 374.286 3.558 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000581575603 932265231 /nfs/dbraw/zinc/26/52/31/932265231.db2.gz XPFIJSSAGRUXCS-UHFFFAOYSA-N 2 2 374.286 3.558 20 0 FHADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000564456229 932480331 /nfs/dbraw/zinc/48/03/31/932480331.db2.gz KTNGMLHPLSZDBH-APWZRJJASA-N 2 2 352.482 3.733 20 0 FHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000581727170 932561269 /nfs/dbraw/zinc/56/12/69/932561269.db2.gz LSYVENMIWKVKCG-UTKZUKDTSA-N 2 2 369.484 3.511 20 0 FHADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000581727168 932561527 /nfs/dbraw/zinc/56/15/27/932561527.db2.gz LSYVENMIWKVKCG-DYESRHJHSA-N 2 2 369.484 3.511 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+]C[C@H]3CCOc4ccccc43)C2)CC1 ZINC000684411422 932588368 /nfs/dbraw/zinc/58/83/68/932588368.db2.gz WZQODYXTRUGHEX-ODIFPOPNSA-N 2 2 368.443 3.948 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCNc4ccccc43)[nH+]c2)C1 ZINC000581753249 932609610 /nfs/dbraw/zinc/60/96/10/932609610.db2.gz PGOHGQOCKNDDGQ-PXNSSMCTSA-N 2 2 351.498 3.581 20 0 FHADLP CN(C(=O)/C=C\C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575249 932703099 /nfs/dbraw/zinc/70/30/99/932703099.db2.gz PBDTWCYIXDCXED-QFRKBEELSA-N 2 2 361.574 3.528 20 0 FHADLP CN(C(=O)/C=C\C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575249 932703106 /nfs/dbraw/zinc/70/31/06/932703106.db2.gz PBDTWCYIXDCXED-QFRKBEELSA-N 2 2 361.574 3.528 20 0 FHADLP Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1cccc2[nH+]ccn21 ZINC000891570321 932775774 /nfs/dbraw/zinc/77/57/74/932775774.db2.gz UVAYUIISUUSCQM-KRWDZBQOSA-N 2 2 350.466 3.548 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336195 933011832 /nfs/dbraw/zinc/01/18/32/933011832.db2.gz ABUYYTJBHFMPRO-QZTJIDSGSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336195 933011836 /nfs/dbraw/zinc/01/18/36/933011836.db2.gz ABUYYTJBHFMPRO-QZTJIDSGSA-N 2 2 366.509 3.653 20 0 FHADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156558397 933711200 /nfs/dbraw/zinc/71/12/00/933711200.db2.gz QDZAYPHVBKIHBD-QFBILLFUSA-N 2 2 354.498 3.530 20 0 FHADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156558397 933711208 /nfs/dbraw/zinc/71/12/08/933711208.db2.gz QDZAYPHVBKIHBD-QFBILLFUSA-N 2 2 354.498 3.530 20 0 FHADLP COC(=O)c1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)oc1C ZINC000431085365 933807887 /nfs/dbraw/zinc/80/78/87/933807887.db2.gz KFOQGNROERINMO-GXTWGEPZSA-N 2 2 359.470 3.534 20 0 FHADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)cc(C)c1OCc1ccccn1 ZINC000091669542 933870825 /nfs/dbraw/zinc/87/08/25/933870825.db2.gz JVMZVLZLYOMOPY-UHFFFAOYSA-N 2 2 353.510 3.803 20 0 FHADLP Cc1noc(C2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000091835986 933899917 /nfs/dbraw/zinc/89/99/17/933899917.db2.gz MRVBOLBSQSJXDB-UHFFFAOYSA-N 2 2 356.514 3.716 20 0 FHADLP Cc1noc(C2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000091835986 933899922 /nfs/dbraw/zinc/89/99/22/933899922.db2.gz MRVBOLBSQSJXDB-UHFFFAOYSA-N 2 2 356.514 3.716 20 0 FHADLP C[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276920952 933992672 /nfs/dbraw/zinc/99/26/72/933992672.db2.gz MMIUVWKMHOXQDW-OWCLPIDISA-N 2 2 351.454 3.915 20 0 FHADLP C[C@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276920952 933992681 /nfs/dbraw/zinc/99/26/81/933992681.db2.gz MMIUVWKMHOXQDW-OWCLPIDISA-N 2 2 351.454 3.915 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587648 934098921 /nfs/dbraw/zinc/09/89/21/934098921.db2.gz OXYJDMQVBRVKCR-SFHVURJKSA-N 2 2 356.514 3.922 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587648 934098929 /nfs/dbraw/zinc/09/89/29/934098929.db2.gz OXYJDMQVBRVKCR-SFHVURJKSA-N 2 2 356.514 3.922 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000092587712 934099593 /nfs/dbraw/zinc/09/95/93/934099593.db2.gz YSKKPBXDXHBRGT-OAQYLSRUSA-N 2 2 356.558 3.626 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000092587712 934099597 /nfs/dbraw/zinc/09/95/97/934099597.db2.gz YSKKPBXDXHBRGT-OAQYLSRUSA-N 2 2 356.558 3.626 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1O ZINC000276963406 934144220 /nfs/dbraw/zinc/14/42/20/934144220.db2.gz BGLWDRWOWVSLAU-QGZVFWFLSA-N 2 2 365.477 3.757 20 0 FHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(C)c[nH+]1 ZINC000535773292 934362754 /nfs/dbraw/zinc/36/27/54/934362754.db2.gz FOVLSOMMEDKPJS-INIZCTEOSA-N 2 2 366.509 3.674 20 0 FHADLP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c(C)c[nH+]1 ZINC000535773292 934362766 /nfs/dbraw/zinc/36/27/66/934362766.db2.gz FOVLSOMMEDKPJS-INIZCTEOSA-N 2 2 366.509 3.674 20 0 FHADLP Cc1cc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)c(C)c[nH+]1 ZINC000535774740 934365626 /nfs/dbraw/zinc/36/56/26/934365626.db2.gz CPLGITCWDGRBPL-UHFFFAOYSA-N 2 2 366.509 3.818 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000535808510 934415500 /nfs/dbraw/zinc/41/55/00/934415500.db2.gz JJKJWICMLNCOSY-JTHBVZDNSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000535808510 934415502 /nfs/dbraw/zinc/41/55/02/934415502.db2.gz JJKJWICMLNCOSY-JTHBVZDNSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535808510 934415511 /nfs/dbraw/zinc/41/55/11/934415511.db2.gz JJKJWICMLNCOSY-JTHBVZDNSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000535808510 934415515 /nfs/dbraw/zinc/41/55/15/934415515.db2.gz JJKJWICMLNCOSY-JTHBVZDNSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535808508 934415942 /nfs/dbraw/zinc/41/59/42/934415942.db2.gz JJKJWICMLNCOSY-GGAORHGYSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535808508 934415946 /nfs/dbraw/zinc/41/59/46/934415946.db2.gz JJKJWICMLNCOSY-GGAORHGYSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535808508 934415951 /nfs/dbraw/zinc/41/59/51/934415951.db2.gz JJKJWICMLNCOSY-GGAORHGYSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000535808508 934415955 /nfs/dbraw/zinc/41/59/55/934415955.db2.gz JJKJWICMLNCOSY-GGAORHGYSA-N 2 2 366.553 3.773 20 0 FHADLP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000132125498 934611090 /nfs/dbraw/zinc/61/10/90/934611090.db2.gz INRTVEWTSAJZRS-UHFFFAOYSA-N 3 2 366.553 3.861 20 0 FHADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c[nH+]1 ZINC000458363498 934780473 /nfs/dbraw/zinc/78/04/73/934780473.db2.gz CZAWEAPUIGSVDO-KRWDZBQOSA-N 2 2 354.498 3.627 20 0 FHADLP CCOCc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000151645153 934831124 /nfs/dbraw/zinc/83/11/24/934831124.db2.gz ZGYPJBKPYJVRRI-PGRDOPGGSA-N 2 2 353.510 3.618 20 0 FHADLP CCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000151645153 934831129 /nfs/dbraw/zinc/83/11/29/934831129.db2.gz ZGYPJBKPYJVRRI-PGRDOPGGSA-N 2 2 353.510 3.618 20 0 FHADLP CC[N@@H+](Cc1cnn(C2CCC2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088020 934966297 /nfs/dbraw/zinc/96/62/97/934966297.db2.gz BIIOTCPSNCWKEM-UHFFFAOYSA-N 2 2 353.514 3.742 20 0 FHADLP CC[N@H+](Cc1cnn(C2CCC2)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088020 934966300 /nfs/dbraw/zinc/96/63/00/934966300.db2.gz BIIOTCPSNCWKEM-UHFFFAOYSA-N 2 2 353.514 3.742 20 0 FHADLP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000657295591 934997482 /nfs/dbraw/zinc/99/74/82/934997482.db2.gz DNRYPYOFLFKJLM-UHFFFAOYSA-N 2 2 362.315 3.764 20 0 FHADLP Cc1c(Br)cncc1C[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000657295591 934997488 /nfs/dbraw/zinc/99/74/88/934997488.db2.gz DNRYPYOFLFKJLM-UHFFFAOYSA-N 2 2 362.315 3.764 20 0 FHADLP Fc1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cccc1OC1CC1 ZINC000657305650 935060172 /nfs/dbraw/zinc/06/01/72/935060172.db2.gz PNTQPJYMXHDRDV-UHFFFAOYSA-N 2 2 351.425 3.902 20 0 FHADLP COc1cc(Br)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582030390 935155005 /nfs/dbraw/zinc/15/50/05/935155005.db2.gz OZYZTBWZEFSPNP-XYPWUTKMSA-N 2 2 353.304 3.515 20 0 FHADLP COc1cc(Br)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582030390 935155006 /nfs/dbraw/zinc/15/50/06/935155006.db2.gz OZYZTBWZEFSPNP-XYPWUTKMSA-N 2 2 353.304 3.515 20 0 FHADLP COc1cc(Br)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582030390 935155009 /nfs/dbraw/zinc/15/50/09/935155009.db2.gz OZYZTBWZEFSPNP-XYPWUTKMSA-N 2 2 353.304 3.515 20 0 FHADLP COc1cc(Br)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582030390 935155011 /nfs/dbraw/zinc/15/50/11/935155011.db2.gz OZYZTBWZEFSPNP-XYPWUTKMSA-N 2 2 353.304 3.515 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657362360 935364770 /nfs/dbraw/zinc/36/47/70/935364770.db2.gz AUAZFLHIVAWUAP-LPHOPBHVSA-N 2 2 364.505 3.594 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657362360 935364775 /nfs/dbraw/zinc/36/47/75/935364775.db2.gz AUAZFLHIVAWUAP-LPHOPBHVSA-N 2 2 364.505 3.594 20 0 FHADLP c1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657362597 935368997 /nfs/dbraw/zinc/36/89/97/935368997.db2.gz XWCPSMDBWQELBC-GGAORHGYSA-N 2 2 366.505 3.609 20 0 FHADLP c1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000657362597 935369000 /nfs/dbraw/zinc/36/90/00/935369000.db2.gz XWCPSMDBWQELBC-GGAORHGYSA-N 2 2 366.505 3.609 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000582175402 935373944 /nfs/dbraw/zinc/37/39/44/935373944.db2.gz FYPKTNPXHDGDLY-YWZLYKJASA-N 2 2 355.457 3.698 20 0 FHADLP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698201 935954125 /nfs/dbraw/zinc/95/41/25/935954125.db2.gz XOYXNQPJNGHQGU-SFTDATJTSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698201 935954127 /nfs/dbraw/zinc/95/41/27/935954127.db2.gz XOYXNQPJNGHQGU-SFTDATJTSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698201 935954129 /nfs/dbraw/zinc/95/41/29/935954129.db2.gz XOYXNQPJNGHQGU-SFTDATJTSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698201 935954132 /nfs/dbraw/zinc/95/41/32/935954132.db2.gz XOYXNQPJNGHQGU-SFTDATJTSA-N 2 2 364.537 3.728 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000076762690 936033798 /nfs/dbraw/zinc/03/37/98/936033798.db2.gz MQJYIFSPOCZODA-QGZVFWFLSA-N 2 2 372.484 3.985 20 0 FHADLP COc1cc2cccnc2c(N(c2c[nH+]ccc2OC)[C@@H](C)CCC[NH3+])c1 ZINC001167615309 936109655 /nfs/dbraw/zinc/10/96/55/936109655.db2.gz JXRCCAWDMFIDEC-HNNXBMFYSA-N 2 2 366.465 3.913 20 0 FHADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793784 936130794 /nfs/dbraw/zinc/13/07/94/936130794.db2.gz OODUZNLYVOWTIB-KBXCAEBGSA-N 2 2 367.415 3.834 20 0 FHADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793784 936130796 /nfs/dbraw/zinc/13/07/96/936130796.db2.gz OODUZNLYVOWTIB-KBXCAEBGSA-N 2 2 367.415 3.834 20 0 FHADLP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657662326 936182850 /nfs/dbraw/zinc/18/28/50/936182850.db2.gz ANCKRNMQYRDJPV-LJQANCHMSA-N 2 2 350.510 3.584 20 0 FHADLP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657662326 936182853 /nfs/dbraw/zinc/18/28/53/936182853.db2.gz ANCKRNMQYRDJPV-LJQANCHMSA-N 2 2 350.510 3.584 20 0 FHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000582932304 936299062 /nfs/dbraw/zinc/29/90/62/936299062.db2.gz ZLNGYTIHTCCPAV-UHFFFAOYSA-N 2 2 352.478 3.554 20 0 FHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)OCCO3)CC1 ZINC000582932304 936299065 /nfs/dbraw/zinc/29/90/65/936299065.db2.gz ZLNGYTIHTCCPAV-UHFFFAOYSA-N 2 2 352.478 3.554 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nsc3ccccc32)CC1 ZINC000657770205 938301146 /nfs/dbraw/zinc/30/11/46/938301146.db2.gz KTXAXAZNFAWFIO-UHFFFAOYSA-N 2 2 357.445 3.845 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000261843463 938305003 /nfs/dbraw/zinc/30/50/03/938305003.db2.gz IWZGZJXBKIJPCZ-CYBMUJFWSA-N 2 2 358.313 3.644 20 0 FHADLP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH2+]C1 ZINC000261843463 938305004 /nfs/dbraw/zinc/30/50/04/938305004.db2.gz IWZGZJXBKIJPCZ-CYBMUJFWSA-N 2 2 358.313 3.644 20 0 FHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647299133 938308114 /nfs/dbraw/zinc/30/81/14/938308114.db2.gz FFYRSQJAKPKHDM-BJLQDIEVSA-N 2 2 352.526 3.781 20 0 FHADLP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647299133 938308116 /nfs/dbraw/zinc/30/81/16/938308116.db2.gz FFYRSQJAKPKHDM-BJLQDIEVSA-N 2 2 352.526 3.781 20 0 FHADLP CC(C)c1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157026502 938310676 /nfs/dbraw/zinc/31/06/76/938310676.db2.gz SWDFONDAAIUSNT-LPHOPBHVSA-N 2 2 358.555 3.704 20 0 FHADLP CC(C)c1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cs1 ZINC000157026502 938310677 /nfs/dbraw/zinc/31/06/77/938310677.db2.gz SWDFONDAAIUSNT-LPHOPBHVSA-N 2 2 358.555 3.704 20 0 FHADLP COc1ccc(C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(OC)cc2)cc1 ZINC000151125856 938387485 /nfs/dbraw/zinc/38/74/85/938387485.db2.gz UFYUQZYBOKLFPA-QFIPXVFZSA-N 2 2 365.477 3.864 20 0 FHADLP C[NH2+]Cc1ccccc1C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000650756691 938417204 /nfs/dbraw/zinc/41/72/04/938417204.db2.gz HUCGBJAZIIJGLI-HXUWFJFHSA-N 2 2 354.885 3.672 20 0 FHADLP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1Cl ZINC000668715714 938555879 /nfs/dbraw/zinc/55/58/79/938555879.db2.gz SLWFVVDVJMUXIP-MRXNPFEDSA-N 2 2 366.292 3.680 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959400 938710413 /nfs/dbraw/zinc/71/04/13/938710413.db2.gz OPXVAGIGHDCWFZ-OLZOCXBDSA-N 2 2 366.387 3.635 20 0 FHADLP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959400 938710415 /nfs/dbraw/zinc/71/04/15/938710415.db2.gz OPXVAGIGHDCWFZ-OLZOCXBDSA-N 2 2 366.387 3.635 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnc(-c4ccco4)s3)[nH+]c2)C1 ZINC000278758550 938815138 /nfs/dbraw/zinc/81/51/38/938815138.db2.gz NJZKWXVECAKZOU-HNNXBMFYSA-N 2 2 369.494 3.551 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772545 938882380 /nfs/dbraw/zinc/88/23/80/938882380.db2.gz GTEIGAMBNVXFOP-APWZRJJASA-N 2 2 359.901 3.614 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772545 938882383 /nfs/dbraw/zinc/88/23/83/938882383.db2.gz GTEIGAMBNVXFOP-APWZRJJASA-N 2 2 359.901 3.614 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1OC ZINC000092066986 938910477 /nfs/dbraw/zinc/91/04/77/938910477.db2.gz WBXWLNRDSGAXLI-PBHICJAKSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1OC ZINC000092066986 938910478 /nfs/dbraw/zinc/91/04/78/938910478.db2.gz WBXWLNRDSGAXLI-PBHICJAKSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1OC ZINC000092066986 938910479 /nfs/dbraw/zinc/91/04/79/938910479.db2.gz WBXWLNRDSGAXLI-PBHICJAKSA-N 2 2 364.917 3.806 20 0 FHADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1OC ZINC000092066986 938910481 /nfs/dbraw/zinc/91/04/81/938910481.db2.gz WBXWLNRDSGAXLI-PBHICJAKSA-N 2 2 364.917 3.806 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000093318341 938924498 /nfs/dbraw/zinc/92/44/98/938924498.db2.gz AAUZAGYZAXCAFQ-SJLPKXTDSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000093318341 938924499 /nfs/dbraw/zinc/92/44/99/938924499.db2.gz AAUZAGYZAXCAFQ-SJLPKXTDSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318341 938924502 /nfs/dbraw/zinc/92/45/02/938924502.db2.gz AAUZAGYZAXCAFQ-SJLPKXTDSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318341 938924504 /nfs/dbraw/zinc/92/45/04/938924504.db2.gz AAUZAGYZAXCAFQ-SJLPKXTDSA-N 2 2 358.555 3.694 20 0 FHADLP C[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428164 938985392 /nfs/dbraw/zinc/98/53/92/938985392.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 2 372.459 3.547 20 0 FHADLP C[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428164 938985393 /nfs/dbraw/zinc/98/53/93/938985393.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428164 938985394 /nfs/dbraw/zinc/98/53/94/938985394.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428164 938985395 /nfs/dbraw/zinc/98/53/95/938985395.db2.gz QGOKQXNVQUCERM-HUPBUCHYSA-N 2 2 372.459 3.547 20 0 FHADLP C[N@H+](Cc1ccccc1OCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443137 938986920 /nfs/dbraw/zinc/98/69/20/938986920.db2.gz MLAZPFAWUZZEHN-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[N@@H+](Cc1ccccc1OCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443137 938986921 /nfs/dbraw/zinc/98/69/21/938986921.db2.gz MLAZPFAWUZZEHN-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443137 938986922 /nfs/dbraw/zinc/98/69/22/938986922.db2.gz MLAZPFAWUZZEHN-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[NH+](Cc1ccccc1OCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443137 938986923 /nfs/dbraw/zinc/98/69/23/938986923.db2.gz MLAZPFAWUZZEHN-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP CSc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000685470123 938989291 /nfs/dbraw/zinc/98/92/91/938989291.db2.gz ZBFNKCOTOVGCLT-IUODEOHRSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000685470123 938989292 /nfs/dbraw/zinc/98/92/92/938989292.db2.gz ZBFNKCOTOVGCLT-IUODEOHRSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000685470123 938989293 /nfs/dbraw/zinc/98/92/93/938989293.db2.gz ZBFNKCOTOVGCLT-IUODEOHRSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000685470123 938989294 /nfs/dbraw/zinc/98/92/94/938989294.db2.gz ZBFNKCOTOVGCLT-IUODEOHRSA-N 2 2 357.361 3.943 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470660 938989426 /nfs/dbraw/zinc/98/94/26/938989426.db2.gz DBUCFFONNJAUEQ-TZIWHRDSSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000685470660 938989427 /nfs/dbraw/zinc/98/94/27/938989427.db2.gz DBUCFFONNJAUEQ-TZIWHRDSSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000685470660 938989428 /nfs/dbraw/zinc/98/94/28/938989428.db2.gz DBUCFFONNJAUEQ-TZIWHRDSSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470660 938989429 /nfs/dbraw/zinc/98/94/29/938989429.db2.gz DBUCFFONNJAUEQ-TZIWHRDSSA-N 2 2 351.494 3.673 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000685566858 939001288 /nfs/dbraw/zinc/00/12/88/939001288.db2.gz YQTJDRVHJPWPTD-YJBOKZPZSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000685566858 939001289 /nfs/dbraw/zinc/00/12/89/939001289.db2.gz YQTJDRVHJPWPTD-YJBOKZPZSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566858 939001290 /nfs/dbraw/zinc/00/12/90/939001290.db2.gz YQTJDRVHJPWPTD-YJBOKZPZSA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566858 939001291 /nfs/dbraw/zinc/00/12/91/939001291.db2.gz YQTJDRVHJPWPTD-YJBOKZPZSA-N 2 2 359.539 3.566 20 0 FHADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453448 939003469 /nfs/dbraw/zinc/00/34/69/939003469.db2.gz QGUZCCDAGHOKMD-QFIPXVFZSA-N 2 2 369.553 3.648 20 0 FHADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000131453448 939003470 /nfs/dbraw/zinc/00/34/70/939003470.db2.gz QGUZCCDAGHOKMD-QFIPXVFZSA-N 2 2 369.553 3.648 20 0 FHADLP COC[C@H](CC1CCOCC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000657928667 939008145 /nfs/dbraw/zinc/00/81/45/939008145.db2.gz ADVYHANJATWYSX-UNMCSNQZSA-N 2 2 371.525 3.663 20 0 FHADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785147 939017302 /nfs/dbraw/zinc/01/73/02/939017302.db2.gz ARWKOILNULWORK-CTNGQTDRSA-N 2 2 367.541 3.928 20 0 FHADLP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785147 939017303 /nfs/dbraw/zinc/01/73/03/939017303.db2.gz ARWKOILNULWORK-CTNGQTDRSA-N 2 2 367.541 3.928 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658055384 939020893 /nfs/dbraw/zinc/02/08/93/939020893.db2.gz IELUFLDDFDWHPM-ZBFHGGJFSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658055384 939020894 /nfs/dbraw/zinc/02/08/94/939020894.db2.gz IELUFLDDFDWHPM-ZBFHGGJFSA-N 2 2 351.922 3.828 20 0 FHADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138794 939041868 /nfs/dbraw/zinc/04/18/68/939041868.db2.gz OFHVSSBATIZMFX-RTWAWAEBSA-N 2 2 374.475 3.609 20 0 FHADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138794 939041873 /nfs/dbraw/zinc/04/18/73/939041873.db2.gz OFHVSSBATIZMFX-RTWAWAEBSA-N 2 2 374.475 3.609 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000658189487 939061728 /nfs/dbraw/zinc/06/17/28/939061728.db2.gz UHCPGMXAANBJAQ-XFJVYGCCSA-N 2 2 355.345 3.809 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@H]2CSCc3ccc(Br)cc32)CC[N@H+]1C ZINC000658189487 939061732 /nfs/dbraw/zinc/06/17/32/939061732.db2.gz UHCPGMXAANBJAQ-XFJVYGCCSA-N 2 2 355.345 3.809 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000658295819 939101611 /nfs/dbraw/zinc/10/16/11/939101611.db2.gz ORHXTPQTVPJPSH-FUHWJXTLSA-N 2 2 372.431 3.879 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000658295967 939101641 /nfs/dbraw/zinc/10/16/41/939101641.db2.gz WOCRMIOSRBGZKP-YOEHRIQHSA-N 2 2 370.509 3.948 20 0 FHADLP Fc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658297109 939102224 /nfs/dbraw/zinc/10/22/24/939102224.db2.gz YDAGYUJXNCQOIN-GMAHTHKFSA-N 2 2 368.496 3.952 20 0 FHADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000507496431 945266889 /nfs/dbraw/zinc/26/68/89/945266889.db2.gz OWQPTOIHOFGHOO-DLBZAZTESA-N 2 2 370.516 3.947 20 0 FHADLP Cc1ccn(-c2ccccc2C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000507488850 945275714 /nfs/dbraw/zinc/27/57/14/945275714.db2.gz VNLBDZYWPIAXMX-UHFFFAOYSA-N 2 2 366.431 3.687 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438979096 945284526 /nfs/dbraw/zinc/28/45/26/945284526.db2.gz NRYQYFNADDUNKK-HNNXBMFYSA-N 2 2 364.449 3.690 20 0 FHADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000375837544 939959887 /nfs/dbraw/zinc/95/98/87/939959887.db2.gz GTVCJWLQXLYDAF-RDTXWAMCSA-N 2 2 357.498 3.615 20 0 FHADLP CC(C)(C)c1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000182986574 940398549 /nfs/dbraw/zinc/39/85/49/940398549.db2.gz BGNNENJKVZEQKA-UHFFFAOYSA-N 2 2 365.587 3.765 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3CCc4cc(Cl)ccc43)CCC[N@@H+]2C)cn1 ZINC000376169004 940406072 /nfs/dbraw/zinc/40/60/72/940406072.db2.gz ZFTNKIPSJIHSGA-CDHQVMDDSA-N 2 2 358.917 3.734 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@@H]3CCc4cc(Cl)ccc43)CCC[N@H+]2C)cn1 ZINC000376169004 940406073 /nfs/dbraw/zinc/40/60/73/940406073.db2.gz ZFTNKIPSJIHSGA-CDHQVMDDSA-N 2 2 358.917 3.734 20 0 FHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177774026 940426743 /nfs/dbraw/zinc/42/67/43/940426743.db2.gz TWLLCYNAYYLXRI-MSOLQXFVSA-N 2 2 364.534 3.821 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CCCO)c3ccccc3)CC2)cc1 ZINC000160820143 940867523 /nfs/dbraw/zinc/86/75/23/940867523.db2.gz JVUNJKOEFVQHRC-QHCPKHFHSA-N 2 2 367.537 3.825 20 0 FHADLP c1cncc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673499 941377232 /nfs/dbraw/zinc/37/72/32/941377232.db2.gz RBGKEJAWNVASDD-DENIHFKCSA-N 2 2 350.510 3.820 20 0 FHADLP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673499 941377235 /nfs/dbraw/zinc/37/72/35/941377235.db2.gz RBGKEJAWNVASDD-DENIHFKCSA-N 2 2 350.510 3.820 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)[C@@H]1c1cccnc1 ZINC000377154273 941532969 /nfs/dbraw/zinc/53/29/69/941532969.db2.gz MCNPNQGIOAFUNZ-BBRMVZONSA-N 2 2 366.328 3.688 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cscc2Br)[C@@H]1c1cccnc1 ZINC000377154273 941532977 /nfs/dbraw/zinc/53/29/77/941532977.db2.gz MCNPNQGIOAFUNZ-BBRMVZONSA-N 2 2 366.328 3.688 20 0 FHADLP CC1(C)C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2cc(N)ccc2O1 ZINC000415030046 941553875 /nfs/dbraw/zinc/55/38/75/941553875.db2.gz FOYQZIJKQIRKGE-KRWDZBQOSA-N 2 2 354.479 3.908 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037170 941563427 /nfs/dbraw/zinc/56/34/27/941563427.db2.gz GNMRDGIFEHKJLT-WBVHZDCISA-N 2 2 371.506 3.503 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037170 941563431 /nfs/dbraw/zinc/56/34/31/941563431.db2.gz GNMRDGIFEHKJLT-WBVHZDCISA-N 2 2 371.506 3.503 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415063047 941581019 /nfs/dbraw/zinc/58/10/19/941581019.db2.gz GTGLEBHBOAELKN-GOSISDBHSA-N 2 2 356.420 3.707 20 0 FHADLP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1OC ZINC000415083075 941593413 /nfs/dbraw/zinc/59/34/13/941593413.db2.gz FECJCBIJFAAWTI-GMBSWORKSA-N 2 2 358.457 3.987 20 0 FHADLP COc1cc(F)c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1OC ZINC000415083077 941593596 /nfs/dbraw/zinc/59/35/96/941593596.db2.gz FECJCBIJFAAWTI-URLQWDBASA-N 2 2 358.457 3.987 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc21 ZINC000549237540 941697606 /nfs/dbraw/zinc/69/76/06/941697606.db2.gz SEHFSWQEPRAPLV-RTBURBONSA-N 2 2 353.466 3.655 20 0 FHADLP Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(-c2cnn(C)c2)c1 ZINC000549253334 941758376 /nfs/dbraw/zinc/75/83/76/941758376.db2.gz QNCWHSOQFXRTHX-UHFFFAOYSA-N 2 2 371.488 3.930 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000513487857 941958916 /nfs/dbraw/zinc/95/89/16/941958916.db2.gz LCMLKPXXTWFAKI-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000513487857 941958920 /nfs/dbraw/zinc/95/89/20/941958920.db2.gz LCMLKPXXTWFAKI-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OCc1ccccc1 ZINC000377784941 941981933 /nfs/dbraw/zinc/98/19/33/941981933.db2.gz QKTXKPINQDLSKI-GOSISDBHSA-N 2 2 363.461 3.644 20 0 FHADLP c1cn(Cc2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)c[nH+]1 ZINC000513510801 941982509 /nfs/dbraw/zinc/98/25/09/941982509.db2.gz GEKYHMUDAVRMKL-HSZRJFAPSA-N 2 2 369.472 3.795 20 0 FHADLP C[N@H+](Cc1ccc(Sc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000513513895 941984407 /nfs/dbraw/zinc/98/44/07/941984407.db2.gz HQPQWPXKUZVPKD-UHFFFAOYSA-N 2 2 356.535 3.726 20 0 FHADLP C[N@@H+](Cc1ccc(Sc2ccccc2)cc1)C1CC[NH+](CCO)CC1 ZINC000513513895 941984410 /nfs/dbraw/zinc/98/44/10/941984410.db2.gz HQPQWPXKUZVPKD-UHFFFAOYSA-N 2 2 356.535 3.726 20 0 FHADLP Cc1ccc(-c2cnc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)o2)cc1 ZINC000377921320 942069945 /nfs/dbraw/zinc/06/99/45/942069945.db2.gz WFLIYXVSWQSWCX-UHFFFAOYSA-N 2 2 350.466 3.838 20 0 FHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280199195 942133658 /nfs/dbraw/zinc/13/36/58/942133658.db2.gz MOMCWKHIIIUZTD-UHFFFAOYSA-N 2 2 351.903 3.777 20 0 FHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502013040 942171838 /nfs/dbraw/zinc/17/18/38/942171838.db2.gz GFDDUTXEOKIVPD-UXHICEINSA-N 2 2 356.514 3.524 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nc2c(s1)CCC2 ZINC000502042270 942184602 /nfs/dbraw/zinc/18/46/02/942184602.db2.gz ORDGWQLJFQJWLD-INIZCTEOSA-N 2 2 355.551 3.990 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000182091317 942204686 /nfs/dbraw/zinc/20/46/86/942204686.db2.gz MULWDCMKEUYQOI-QGZVFWFLSA-N 2 2 356.489 3.614 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000182091317 942204689 /nfs/dbraw/zinc/20/46/89/942204689.db2.gz MULWDCMKEUYQOI-QGZVFWFLSA-N 2 2 356.489 3.614 20 0 FHADLP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000420814263 942219948 /nfs/dbraw/zinc/21/99/48/942219948.db2.gz ZEQCMVUNSOGBNK-UHFFFAOYSA-N 2 2 354.498 3.540 20 0 FHADLP Cc1cc(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420849240 942228668 /nfs/dbraw/zinc/22/86/68/942228668.db2.gz NLUWVIHNSXCESC-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000420849240 942228673 /nfs/dbraw/zinc/22/86/73/942228673.db2.gz NLUWVIHNSXCESC-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908966 942248480 /nfs/dbraw/zinc/24/84/80/942248480.db2.gz XEVCHHASYKGQHA-UHFFFAOYSA-N 2 2 350.915 3.866 20 0 FHADLP C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908966 942248481 /nfs/dbraw/zinc/24/84/81/942248481.db2.gz XEVCHHASYKGQHA-UHFFFAOYSA-N 2 2 350.915 3.866 20 0 FHADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420922815 942255516 /nfs/dbraw/zinc/25/55/16/942255516.db2.gz OPEPDRCNFCWRAR-OAQYLSRUSA-N 2 2 370.493 3.595 20 0 FHADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420922815 942255521 /nfs/dbraw/zinc/25/55/21/942255521.db2.gz OPEPDRCNFCWRAR-OAQYLSRUSA-N 2 2 370.493 3.595 20 0 FHADLP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420916238 942266527 /nfs/dbraw/zinc/26/65/27/942266527.db2.gz NVNSVIRQZNLELV-INIZCTEOSA-N 2 2 359.539 3.785 20 0 FHADLP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420916238 942266529 /nfs/dbraw/zinc/26/65/29/942266529.db2.gz NVNSVIRQZNLELV-INIZCTEOSA-N 2 2 359.539 3.785 20 0 FHADLP CC(C)([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000420948997 942270927 /nfs/dbraw/zinc/27/09/27/942270927.db2.gz QDYLVWITFKPDFJ-UHFFFAOYSA-N 2 2 360.448 3.822 20 0 FHADLP FC(F)(F)CC1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420961380 942277107 /nfs/dbraw/zinc/27/71/07/942277107.db2.gz JGTBEHCJEHEMCI-UHFFFAOYSA-N 2 2 356.432 3.683 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286396 /nfs/dbraw/zinc/28/63/96/942286396.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286404 /nfs/dbraw/zinc/28/64/04/942286404.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286409 /nfs/dbraw/zinc/28/64/09/942286409.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000420974342 942286413 /nfs/dbraw/zinc/28/64/13/942286413.db2.gz DIAABDLQILUBTH-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP C[NH+](C)CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000501118959 942318515 /nfs/dbraw/zinc/31/85/15/942318515.db2.gz SXQRBDOKWNSXCM-UHFFFAOYSA-N 2 2 354.523 3.984 20 0 FHADLP C[NH+](C)CCC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000501118959 942318519 /nfs/dbraw/zinc/31/85/19/942318519.db2.gz SXQRBDOKWNSXCM-UHFFFAOYSA-N 2 2 354.523 3.984 20 0 FHADLP CCn1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000502318404 942351298 /nfs/dbraw/zinc/35/12/98/942351298.db2.gz OSZHBFFZJIUZNN-QGZVFWFLSA-N 2 2 363.509 3.969 20 0 FHADLP CCn1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c2ccccc21 ZINC000502318404 942351301 /nfs/dbraw/zinc/35/13/01/942351301.db2.gz OSZHBFFZJIUZNN-QGZVFWFLSA-N 2 2 363.509 3.969 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000502321414 942353517 /nfs/dbraw/zinc/35/35/17/942353517.db2.gz XWDHBYGEOCTKSO-HXUWFJFHSA-N 2 2 365.521 3.967 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000502321414 942353521 /nfs/dbraw/zinc/35/35/21/942353521.db2.gz XWDHBYGEOCTKSO-HXUWFJFHSA-N 2 2 365.521 3.967 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1C ZINC000421319866 942480601 /nfs/dbraw/zinc/48/06/01/942480601.db2.gz OHBXFJNZMXLQNT-HNNXBMFYSA-N 2 2 352.954 3.858 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)nn1C ZINC000421319866 942480607 /nfs/dbraw/zinc/48/06/07/942480607.db2.gz OHBXFJNZMXLQNT-HNNXBMFYSA-N 2 2 352.954 3.858 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)nn1C ZINC000421332005 942506212 /nfs/dbraw/zinc/50/62/12/942506212.db2.gz KYAKWSZATNRHHL-UHFFFAOYSA-N 2 2 360.933 3.904 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967024 942604511 /nfs/dbraw/zinc/60/45/11/942604511.db2.gz GMQBXBVAWSZWIY-IHPCNDPISA-N 2 2 351.579 3.608 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967024 942604515 /nfs/dbraw/zinc/60/45/15/942604515.db2.gz GMQBXBVAWSZWIY-IHPCNDPISA-N 2 2 351.579 3.608 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1cccc(C(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308899 942614692 /nfs/dbraw/zinc/61/46/92/942614692.db2.gz KTWDFDZKZYPTKS-QGZVFWFLSA-N 2 2 360.452 3.502 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1cccc(C(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420308899 942614698 /nfs/dbraw/zinc/61/46/98/942614698.db2.gz KTWDFDZKZYPTKS-QGZVFWFLSA-N 2 2 360.452 3.502 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420352405 942634714 /nfs/dbraw/zinc/63/47/14/942634714.db2.gz ACSLRWNMPQVXJY-AZUAARDMSA-N 2 2 373.928 3.509 20 0 FHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@H]3CC[NH2+]CC3(C)C)cc2)c1 ZINC000420358704 942636930 /nfs/dbraw/zinc/63/69/30/942636930.db2.gz IYXLVMGGJSUOFZ-FQEVSTJZSA-N 2 2 367.493 3.704 20 0 FHADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1 ZINC000420359717 942637709 /nfs/dbraw/zinc/63/77/09/942637709.db2.gz KEJXJDRIQIYJKB-RBUKOAKNSA-N 2 2 359.558 3.611 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420362453 942638678 /nfs/dbraw/zinc/63/86/78/942638678.db2.gz OIIKURTVTXDODH-WBMJQRKESA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420362453 942638680 /nfs/dbraw/zinc/63/86/80/942638680.db2.gz OIIKURTVTXDODH-WBMJQRKESA-N 2 2 359.297 3.529 20 0 FHADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccccc1Oc1ccccc1)C1CCCCC1 ZINC000420365375 942640706 /nfs/dbraw/zinc/64/07/06/942640706.db2.gz SAEBTMCAHWUKQO-FQEVSTJZSA-N 2 2 367.493 3.915 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000502705991 942672987 /nfs/dbraw/zinc/67/29/87/942672987.db2.gz LJSSXZLMPNVFDK-UHFFFAOYSA-N 2 2 369.296 3.849 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000502705991 942672990 /nfs/dbraw/zinc/67/29/90/942672990.db2.gz LJSSXZLMPNVFDK-UHFFFAOYSA-N 2 2 369.296 3.849 20 0 FHADLP CC(C)[C@H]1[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC12CCOCC2 ZINC000414534809 942682451 /nfs/dbraw/zinc/68/24/51/942682451.db2.gz GUHNLRGLQBWZOY-LJQANCHMSA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@H]1[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC12CCOCC2 ZINC000414534809 942682455 /nfs/dbraw/zinc/68/24/55/942682455.db2.gz GUHNLRGLQBWZOY-LJQANCHMSA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@H]1[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC12CCOCC2 ZINC000414534809 942682456 /nfs/dbraw/zinc/68/24/56/942682456.db2.gz GUHNLRGLQBWZOY-LJQANCHMSA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@H]1[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC12CCOCC2 ZINC000414534809 942682458 /nfs/dbraw/zinc/68/24/58/942682458.db2.gz GUHNLRGLQBWZOY-LJQANCHMSA-N 2 2 363.571 3.547 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000514085109 942737157 /nfs/dbraw/zinc/73/71/57/942737157.db2.gz TUESEYZVLBTHEZ-MRXNPFEDSA-N 2 2 372.534 3.892 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000182802892 942790174 /nfs/dbraw/zinc/79/01/74/942790174.db2.gz GLVFGCTXYJTANM-KRWDZBQOSA-N 2 2 366.933 3.708 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000182802892 942790178 /nfs/dbraw/zinc/79/01/78/942790178.db2.gz GLVFGCTXYJTANM-KRWDZBQOSA-N 2 2 366.933 3.708 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644198 942823811 /nfs/dbraw/zinc/82/38/11/942823811.db2.gz FAXKCRPDXRZNSP-LPHOPBHVSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644198 942823816 /nfs/dbraw/zinc/82/38/16/942823816.db2.gz FAXKCRPDXRZNSP-LPHOPBHVSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644198 942823821 /nfs/dbraw/zinc/82/38/21/942823821.db2.gz FAXKCRPDXRZNSP-LPHOPBHVSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644198 942823828 /nfs/dbraw/zinc/82/38/28/942823828.db2.gz FAXKCRPDXRZNSP-LPHOPBHVSA-N 2 2 365.587 3.658 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421828909 942836410 /nfs/dbraw/zinc/83/64/10/942836410.db2.gz FYRXNDMHOHQLJB-CQSZACIVSA-N 2 2 356.913 3.889 20 0 FHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000421829547 942836794 /nfs/dbraw/zinc/83/67/94/942836794.db2.gz IJZGCVQFUCZFNK-LSDHHAIUSA-N 2 2 352.906 3.500 20 0 FHADLP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421829545 942837193 /nfs/dbraw/zinc/83/71/93/942837193.db2.gz IJZGCVQFUCZFNK-GJZGRUSLSA-N 2 2 352.906 3.500 20 0 FHADLP c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434675890 942861030 /nfs/dbraw/zinc/86/10/30/942861030.db2.gz MWJYRTFOQGAWSV-UHFFFAOYSA-N 2 2 361.493 3.785 20 0 FHADLP Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn2cc[nH+]c12 ZINC000502980747 942892975 /nfs/dbraw/zinc/89/29/75/942892975.db2.gz IFKUNDICAITHGG-KRWDZBQOSA-N 2 2 366.440 3.633 20 0 FHADLP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn2cc[nH+]c12 ZINC000502980747 942892980 /nfs/dbraw/zinc/89/29/80/942892980.db2.gz IFKUNDICAITHGG-KRWDZBQOSA-N 2 2 366.440 3.633 20 0 FHADLP C[NH+](C)CCc1ccc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425174575 942935073 /nfs/dbraw/zinc/93/50/73/942935073.db2.gz CNZRXMCAEMYCNC-HXUWFJFHSA-N 2 2 362.477 3.675 20 0 FHADLP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434743638 942935823 /nfs/dbraw/zinc/93/58/23/942935823.db2.gz BHZXEDMXALYLGF-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434743638 942935826 /nfs/dbraw/zinc/93/58/26/942935826.db2.gz BHZXEDMXALYLGF-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[NH+](CCOc1ccccc1Cl)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434743638 942935829 /nfs/dbraw/zinc/93/58/29/942935829.db2.gz BHZXEDMXALYLGF-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[NH+](CCOc1ccccc1Cl)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434743638 942935834 /nfs/dbraw/zinc/93/58/34/942935834.db2.gz BHZXEDMXALYLGF-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422008851 942937077 /nfs/dbraw/zinc/93/70/77/942937077.db2.gz QBAIUUDYIQVEJL-JOCHJYFZSA-N 2 2 371.569 3.589 20 0 FHADLP CCC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422008851 942937081 /nfs/dbraw/zinc/93/70/81/942937081.db2.gz QBAIUUDYIQVEJL-JOCHJYFZSA-N 2 2 371.569 3.589 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3C(C)(C)C)CC2)CC1 ZINC000422025895 942943376 /nfs/dbraw/zinc/94/33/76/942943376.db2.gz SQRFIEBWJVDGSE-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3C(C)(C)C)CC2)CC1 ZINC000422025895 942943379 /nfs/dbraw/zinc/94/33/79/942943379.db2.gz SQRFIEBWJVDGSE-UHFFFAOYSA-N 2 2 371.569 3.616 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc4ccsc43)CC2)CC1 ZINC000422027178 942943489 /nfs/dbraw/zinc/94/34/89/942943489.db2.gz WBYHFUCKDHPJCW-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc4ccsc43)CC2)CC1 ZINC000422027178 942943493 /nfs/dbraw/zinc/94/34/93/942943493.db2.gz WBYHFUCKDHPJCW-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414863974 943101090 /nfs/dbraw/zinc/10/10/90/943101090.db2.gz YIIKLDASKMKQGF-UHFFFAOYSA-N 2 2 354.420 3.733 20 0 FHADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272187121 943109350 /nfs/dbraw/zinc/10/93/50/943109350.db2.gz GTMQAIXKMXPBAC-INIZCTEOSA-N 2 2 354.498 3.794 20 0 FHADLP CC[C@](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)(C(=O)OC)c1ccccc1 ZINC000414593266 943121920 /nfs/dbraw/zinc/12/19/20/943121920.db2.gz VWQDZUPCKCGMPD-HXUWFJFHSA-N 2 2 369.490 3.544 20 0 FHADLP COc1ccc(OCCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378153 943155783 /nfs/dbraw/zinc/15/57/83/943155783.db2.gz RGQGRUJXLDUPGL-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP COc1ccc(OCCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378153 943155788 /nfs/dbraw/zinc/15/57/88/943155788.db2.gz RGQGRUJXLDUPGL-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(F)cc1 ZINC000503411371 943168504 /nfs/dbraw/zinc/16/85/04/943168504.db2.gz OXIVIMPCRQRRKD-INIZCTEOSA-N 2 2 370.472 3.567 20 0 FHADLP O=C(CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccc(F)cc1 ZINC000503411371 943168508 /nfs/dbraw/zinc/16/85/08/943168508.db2.gz OXIVIMPCRQRRKD-INIZCTEOSA-N 2 2 370.472 3.567 20 0 FHADLP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503430408 943179042 /nfs/dbraw/zinc/17/90/42/943179042.db2.gz KZKWNMKDHXNKJV-QGZVFWFLSA-N 2 2 354.498 3.619 20 0 FHADLP COc1c(C)cnc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503430408 943179044 /nfs/dbraw/zinc/17/90/44/943179044.db2.gz KZKWNMKDHXNKJV-QGZVFWFLSA-N 2 2 354.498 3.619 20 0 FHADLP C[NH+](C)C1CCN(c2ccc([NH2+]C[C@H]3C[C@]3(C)Br)cc2)CC1 ZINC000893283548 943243529 /nfs/dbraw/zinc/24/35/29/943243529.db2.gz UVVJADDXHXAWDU-KDOFPFPSSA-N 2 2 366.347 3.802 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422711498 943243870 /nfs/dbraw/zinc/24/38/70/943243870.db2.gz NFCQKGAXASYVJD-UXHICEINSA-N 2 2 355.457 3.698 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422712971 943245102 /nfs/dbraw/zinc/24/51/02/943245102.db2.gz JEQPJDOLSCIUTP-VXKWHMMOSA-N 3 2 359.558 3.734 20 0 FHADLP Brc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccco4)CC3)c2c1 ZINC000503558643 943261361 /nfs/dbraw/zinc/26/13/61/943261361.db2.gz VSYATWAKXUTLIA-UHFFFAOYSA-N 2 2 372.266 3.913 20 0 FHADLP CCN(CC[NH+]1CCCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425313318 943281949 /nfs/dbraw/zinc/28/19/49/943281949.db2.gz SGNSVXKIEKIDJB-FQEVSTJZSA-N 2 2 368.525 3.656 20 0 FHADLP Clc1ccccc1[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422787477 943283474 /nfs/dbraw/zinc/28/34/74/943283474.db2.gz MGJRIVFSYGPUIM-IERDGZPVSA-N 2 2 372.896 3.932 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764324 943284842 /nfs/dbraw/zinc/28/48/42/943284842.db2.gz PWNHAOKXVUMNDT-ILXVDBEPSA-N 3 2 357.464 3.804 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764324 943284843 /nfs/dbraw/zinc/28/48/43/943284843.db2.gz PWNHAOKXVUMNDT-ILXVDBEPSA-N 3 2 357.464 3.804 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2cccc3cccnc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422820578 943295494 /nfs/dbraw/zinc/29/54/94/943295494.db2.gz RIHUQCGZKKXRND-GMAHTHKFSA-N 2 2 361.489 3.869 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2cccc3cccnc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422820579 943295730 /nfs/dbraw/zinc/29/57/30/943295730.db2.gz RIHUQCGZKKXRND-JTHBVZDNSA-N 2 2 361.489 3.869 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422836966 943300281 /nfs/dbraw/zinc/30/02/81/943300281.db2.gz SIDNNZMQUQKMNR-NMNUPHIUSA-N 2 2 365.521 3.604 20 0 FHADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422878310 943313655 /nfs/dbraw/zinc/31/36/55/943313655.db2.gz SQPOYNXFQODYON-STZQEDGTSA-N 2 2 368.521 3.601 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880444 943314821 /nfs/dbraw/zinc/31/48/21/943314821.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 3 2 352.526 3.823 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880444 943314826 /nfs/dbraw/zinc/31/48/26/943314826.db2.gz LWVMFCVGOJSVRW-KSZLIROESA-N 3 2 352.526 3.823 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422888256 943318406 /nfs/dbraw/zinc/31/84/06/943318406.db2.gz CHKYKZHNKDZSTM-SFTDATJTSA-N 3 2 353.510 3.642 20 0 FHADLP C[C@H]([NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422872802 943322148 /nfs/dbraw/zinc/32/21/48/943322148.db2.gz IRUHMGDMSKCBNY-SGTLLEGYSA-N 2 2 363.274 3.875 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902190 943325345 /nfs/dbraw/zinc/32/53/45/943325345.db2.gz TZKNXWNCUWYCQF-RJGXRXQPSA-N 3 2 355.570 3.860 20 0 FHADLP c1coc(-c2nc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cs2)c1 ZINC000422893304 943330379 /nfs/dbraw/zinc/33/03/79/943330379.db2.gz PYOJQPKMYXWUGF-OXJNMPFZSA-N 2 2 367.474 3.749 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000422936637 943338193 /nfs/dbraw/zinc/33/81/93/943338193.db2.gz FLGWJMOBJNCTFD-XWIAVFTESA-N 2 2 350.915 3.848 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2Cl)cc1 ZINC000422919114 943341588 /nfs/dbraw/zinc/34/15/88/943341588.db2.gz JKTSGGCFZLHISE-XPIZARPCSA-N 2 2 374.912 3.795 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422962619 943342999 /nfs/dbraw/zinc/34/29/99/943342999.db2.gz CWJJQJSQWXQPTH-HLRQEUIKSA-N 3 2 356.558 3.507 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[N@H+](C)Cc3ccccc3)C(C)C)ccn12 ZINC001269939369 943344532 /nfs/dbraw/zinc/34/45/32/943344532.db2.gz MIHZHYZONKRTLO-FQEVSTJZSA-N 2 2 364.493 3.529 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[N@@H+](C)Cc3ccccc3)C(C)C)ccn12 ZINC001269939369 943344537 /nfs/dbraw/zinc/34/45/37/943344537.db2.gz MIHZHYZONKRTLO-FQEVSTJZSA-N 2 2 364.493 3.529 20 0 FHADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CN1c1ccccc1Cl ZINC000422955604 943349526 /nfs/dbraw/zinc/34/95/26/943349526.db2.gz JRQNXTZUTQRLPO-ZIFCJYIRSA-N 2 2 369.896 3.528 20 0 FHADLP CC(C)COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422972537 943355124 /nfs/dbraw/zinc/35/51/24/943355124.db2.gz MAKHOFSMNCOLFJ-IPJJNNNSSA-N 2 2 370.493 3.839 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000514898015 943369709 /nfs/dbraw/zinc/36/97/09/943369709.db2.gz LKPVJDQNVOPTRQ-INIZCTEOSA-N 2 2 352.486 3.738 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423055784 943377063 /nfs/dbraw/zinc/37/70/63/943377063.db2.gz XDMOMVXTCJSSMR-ADHNFCLRSA-N 2 2 366.505 3.998 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069245 943380989 /nfs/dbraw/zinc/38/09/89/943380989.db2.gz AUJMPGMNLFFIMA-DBXWQHBBSA-N 2 2 354.494 3.683 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000423101072 943394397 /nfs/dbraw/zinc/39/43/97/943394397.db2.gz HWJPGLRCBJDKAP-PILAGYSTSA-N 2 2 356.432 3.698 20 0 FHADLP CCSc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435433839 943396585 /nfs/dbraw/zinc/39/65/85/943396585.db2.gz UTJXTSRUFQKUOP-LJQANCHMSA-N 2 2 370.566 3.676 20 0 FHADLP CCSc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435433839 943396590 /nfs/dbraw/zinc/39/65/90/943396590.db2.gz UTJXTSRUFQKUOP-LJQANCHMSA-N 2 2 370.566 3.676 20 0 FHADLP COc1ccc2oc(C[N@@H+](Cc3scnc3C)C[C@H]3CC[NH2+]C3)cc2c1 ZINC000435436464 943415180 /nfs/dbraw/zinc/41/51/80/943415180.db2.gz GJWWALKRHXUJRP-HNNXBMFYSA-N 2 2 371.506 3.818 20 0 FHADLP COc1ccc2oc(C[N@H+](Cc3scnc3C)C[C@H]3CC[NH2+]C3)cc2c1 ZINC000435436464 943415182 /nfs/dbraw/zinc/41/51/82/943415182.db2.gz GJWWALKRHXUJRP-HNNXBMFYSA-N 2 2 371.506 3.818 20 0 FHADLP COc1c(C)cc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1C ZINC000435444768 943420458 /nfs/dbraw/zinc/42/04/58/943420458.db2.gz SPEGFVBWCBPVKL-KRWDZBQOSA-N 2 2 359.539 3.689 20 0 FHADLP COc1c(C)cc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1C ZINC000435444768 943420463 /nfs/dbraw/zinc/42/04/63/943420463.db2.gz SPEGFVBWCBPVKL-KRWDZBQOSA-N 2 2 359.539 3.689 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435447326 943423238 /nfs/dbraw/zinc/42/32/38/943423238.db2.gz OUMIQHUZIBFVAI-UABRLCRWSA-N 2 2 357.523 3.585 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435447326 943423241 /nfs/dbraw/zinc/42/32/41/943423241.db2.gz OUMIQHUZIBFVAI-UABRLCRWSA-N 2 2 357.523 3.585 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000503953404 943436407 /nfs/dbraw/zinc/43/64/07/943436407.db2.gz OSFCAMXYZRPLOT-UHFFFAOYSA-N 2 2 367.537 3.792 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000503953404 943436416 /nfs/dbraw/zinc/43/64/16/943436416.db2.gz OSFCAMXYZRPLOT-UHFFFAOYSA-N 2 2 367.537 3.792 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423235617 943442866 /nfs/dbraw/zinc/44/28/66/943442866.db2.gz GSOSZLDXEWCMLH-IIBYNOLFSA-N 2 2 353.510 3.862 20 0 FHADLP COc1ccc([C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc2)cc1 ZINC000423224537 943449755 /nfs/dbraw/zinc/44/97/55/943449755.db2.gz CJFCDOCJNVOFMX-QHCPKHFHSA-N 2 2 374.488 3.701 20 0 FHADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299368 943476652 /nfs/dbraw/zinc/47/66/52/943476652.db2.gz PXYJIOOWWKWZTK-WBVHZDCISA-N 2 2 352.544 3.571 20 0 FHADLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423329478 943481265 /nfs/dbraw/zinc/48/12/65/943481265.db2.gz SVZFEEWRLMOMIS-QLJPJBMISA-N 2 2 353.297 3.875 20 0 FHADLP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1c(F)cccc1F ZINC000423341705 943484819 /nfs/dbraw/zinc/48/48/19/943484819.db2.gz WUMRDJVILRPQOP-IBGZPJMESA-N 2 2 359.420 3.589 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2sc(-c3ccc(C)cc3)nc2C)CCC[NH2+]1 ZINC000423424378 943506556 /nfs/dbraw/zinc/50/65/56/943506556.db2.gz LQEXVLCRVWJCST-FOIQADDNSA-N 2 2 359.539 3.846 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499302 943529582 /nfs/dbraw/zinc/52/95/82/943529582.db2.gz JJMSOIFURDWXCQ-YADHBBJMSA-N 2 2 363.509 3.570 20 0 FHADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423499601 943529719 /nfs/dbraw/zinc/52/97/19/943529719.db2.gz CFFSDRVZYNQVEC-QRWLVFNGSA-N 2 2 364.555 3.571 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496111 943537659 /nfs/dbraw/zinc/53/76/59/943537659.db2.gz DFUOXKXZQMKPIC-VGSWGCGISA-N 3 2 355.526 3.540 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660199177 943540257 /nfs/dbraw/zinc/54/02/57/943540257.db2.gz DOSGVTDHWTZDMO-PXNSSMCTSA-N 2 2 356.510 3.714 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660199177 943540263 /nfs/dbraw/zinc/54/02/63/943540263.db2.gz DOSGVTDHWTZDMO-PXNSSMCTSA-N 2 2 356.510 3.714 20 0 FHADLP Fc1ccc([C@@H](CCSc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423524311 943546505 /nfs/dbraw/zinc/54/65/05/943546505.db2.gz OGHHGQBHWANIDP-UYAOXDASSA-N 2 2 360.498 3.627 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000424296617 943824943 /nfs/dbraw/zinc/82/49/43/943824943.db2.gz SBNYVNBKWGTQPN-CWFSZBLJSA-N 2 2 353.466 3.665 20 0 FHADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000584865617 943825658 /nfs/dbraw/zinc/82/56/58/943825658.db2.gz FNQZOSKAISCVJG-MRXNPFEDSA-N 2 2 366.440 3.577 20 0 FHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790441 943938707 /nfs/dbraw/zinc/93/87/07/943938707.db2.gz ZVCSDUJCYOUDSX-AWEZNQCLSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC12CCOCC2 ZINC000414790441 943938709 /nfs/dbraw/zinc/93/87/09/943938709.db2.gz ZVCSDUJCYOUDSX-AWEZNQCLSA-N 2 2 362.823 3.546 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1 ZINC000414878858 944034101 /nfs/dbraw/zinc/03/41/01/944034101.db2.gz HUFCQGQLGUOCQN-FGZHOGPDSA-N 2 2 361.489 3.787 20 0 FHADLP Cc1ccc(C2CC2)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000424686372 944047306 /nfs/dbraw/zinc/04/73/06/944047306.db2.gz IBSGJALUTUITNE-UHFFFAOYSA-N 2 2 369.553 3.553 20 0 FHADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CC1(C)C ZINC000709308496 944067276 /nfs/dbraw/zinc/06/72/76/944067276.db2.gz QRMWVJGPMABNFZ-QGZVFWFLSA-N 2 2 353.551 3.630 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@@H](c4ccccc4)C3)[nH+]c2)C1 ZINC000437784344 944110671 /nfs/dbraw/zinc/11/06/71/944110671.db2.gz KARQQYDVFJSSFT-SVFBPWRDSA-N 2 2 350.510 3.970 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000364230806 944113356 /nfs/dbraw/zinc/11/33/56/944113356.db2.gz VSGBCGJCCXVOHS-NVXWUHKLSA-N 2 2 366.469 3.850 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000364230806 944113363 /nfs/dbraw/zinc/11/33/63/944113363.db2.gz VSGBCGJCCXVOHS-NVXWUHKLSA-N 2 2 366.469 3.850 20 0 FHADLP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312971 944191980 /nfs/dbraw/zinc/19/19/80/944191980.db2.gz KYPKJOJPKBIYHC-LAUBAEHRSA-N 2 2 355.551 3.846 20 0 FHADLP CSc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000436312971 944191983 /nfs/dbraw/zinc/19/19/83/944191983.db2.gz KYPKJOJPKBIYHC-LAUBAEHRSA-N 2 2 355.551 3.846 20 0 FHADLP Cc1ccc2cc([C@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc2c1 ZINC000425941605 944287284 /nfs/dbraw/zinc/28/72/84/944287284.db2.gz ZZHJSGNEWMNQNC-KRWDZBQOSA-N 2 2 364.493 3.739 20 0 FHADLP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000438074974 944316422 /nfs/dbraw/zinc/31/64/22/944316422.db2.gz QYVJCONHOQPGOI-MSOLQXFVSA-N 2 2 369.475 3.909 20 0 FHADLP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000438074976 944316922 /nfs/dbraw/zinc/31/69/22/944316922.db2.gz QYVJCONHOQPGOI-QZTJIDSGSA-N 2 2 369.475 3.909 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000390521202 944359005 /nfs/dbraw/zinc/35/90/05/944359005.db2.gz BMUZKMKAUDRTOW-FQEVSTJZSA-N 2 2 352.478 3.806 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000390521202 944359014 /nfs/dbraw/zinc/35/90/14/944359014.db2.gz BMUZKMKAUDRTOW-FQEVSTJZSA-N 2 2 352.478 3.806 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000398012926 944382143 /nfs/dbraw/zinc/38/21/43/944382143.db2.gz MTKAFEVSXITFAW-SFHVURJKSA-N 2 2 366.431 3.590 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000398012926 944382153 /nfs/dbraw/zinc/38/21/53/944382153.db2.gz MTKAFEVSXITFAW-SFHVURJKSA-N 2 2 366.431 3.590 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)nc(N2CCCC2)n1 ZINC000426323331 944456749 /nfs/dbraw/zinc/45/67/49/944456749.db2.gz MCLOVBHIGAXIPB-LAUBAEHRSA-N 2 2 371.573 3.518 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nc(N2CCCC2)n1 ZINC000426323324 944456982 /nfs/dbraw/zinc/45/69/82/944456982.db2.gz MCLOVBHIGAXIPB-DYESRHJHSA-N 2 2 371.573 3.518 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)[nH+]c2)CC1 ZINC000467347752 944463521 /nfs/dbraw/zinc/46/35/21/944463521.db2.gz CCOMISXZWGIGJV-GUDVDZBRSA-N 2 2 372.557 3.619 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846448 944538431 /nfs/dbraw/zinc/53/84/31/944538431.db2.gz XTURJMFPFXIEMW-UZLBHIALSA-N 2 2 368.924 3.956 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846448 944538437 /nfs/dbraw/zinc/53/84/37/944538437.db2.gz XTURJMFPFXIEMW-UZLBHIALSA-N 2 2 368.924 3.956 20 0 FHADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000426001496 944583261 /nfs/dbraw/zinc/58/32/61/944583261.db2.gz KXCDLXDMLDDDFS-CALCHBBNSA-N 2 2 364.518 3.594 20 0 FHADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000426001496 944583267 /nfs/dbraw/zinc/58/32/67/944583267.db2.gz KXCDLXDMLDDDFS-CALCHBBNSA-N 2 2 364.518 3.594 20 0 FHADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000426001496 944583271 /nfs/dbraw/zinc/58/32/71/944583271.db2.gz KXCDLXDMLDDDFS-CALCHBBNSA-N 2 2 364.518 3.594 20 0 FHADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccs3)C[C@@H]2C1 ZINC000426001496 944583277 /nfs/dbraw/zinc/58/32/77/944583277.db2.gz KXCDLXDMLDDDFS-CALCHBBNSA-N 2 2 364.518 3.594 20 0 FHADLP c1cn(CCCC2CC[NH+](Cc3cnc([C@@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000516215330 944598518 /nfs/dbraw/zinc/59/85/18/944598518.db2.gz QCRDWOQFKGANGW-SFHVURJKSA-N 2 2 360.527 3.884 20 0 FHADLP CC[N@H+](CC(C)(C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000426394545 944649785 /nfs/dbraw/zinc/64/97/85/944649785.db2.gz FQOOHFNEAKWZSB-UHFFFAOYSA-N 2 2 362.562 3.872 20 0 FHADLP CC[N@@H+](CC(C)(C)COC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000426394545 944649790 /nfs/dbraw/zinc/64/97/90/944649790.db2.gz FQOOHFNEAKWZSB-UHFFFAOYSA-N 2 2 362.562 3.872 20 0 FHADLP Cc1nc2ccc(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2s1 ZINC000426400834 944668109 /nfs/dbraw/zinc/66/81/09/944668109.db2.gz LHMDJRSHTDWFOJ-CALCHBBNSA-N 2 2 372.582 3.595 20 0 FHADLP Cc1nc2ccc(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc2s1 ZINC000426400834 944668112 /nfs/dbraw/zinc/66/81/12/944668112.db2.gz LHMDJRSHTDWFOJ-CALCHBBNSA-N 2 2 372.582 3.595 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1O ZINC000426425350 944758012 /nfs/dbraw/zinc/75/80/12/944758012.db2.gz PJPPIOKCUMYKKN-OAHLLOKOSA-N 2 2 369.440 3.837 20 0 FHADLP CC[N@H+](CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058590 944765197 /nfs/dbraw/zinc/76/51/97/944765197.db2.gz MFEILWMIQVWJDV-WMZOPIPTSA-N 2 2 363.512 3.893 20 0 FHADLP CC[N@@H+](CCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)CCC(F)(F)F ZINC000426058590 944765206 /nfs/dbraw/zinc/76/52/06/944765206.db2.gz MFEILWMIQVWJDV-WMZOPIPTSA-N 2 2 363.512 3.893 20 0 FHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390713277 944767793 /nfs/dbraw/zinc/76/77/93/944767793.db2.gz XKHWKRAPDHLAJT-IRLDBZIGSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390713277 944767801 /nfs/dbraw/zinc/76/78/01/944767801.db2.gz XKHWKRAPDHLAJT-IRLDBZIGSA-N 2 2 354.469 3.694 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000427002071 945004576 /nfs/dbraw/zinc/00/45/76/945004576.db2.gz VKPYHORJWFEPLT-KRWDZBQOSA-N 2 2 362.514 3.573 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000427002071 945004582 /nfs/dbraw/zinc/00/45/82/945004582.db2.gz VKPYHORJWFEPLT-KRWDZBQOSA-N 2 2 362.514 3.573 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388755715 945543013 /nfs/dbraw/zinc/54/30/13/945543013.db2.gz NBKOMOYCAHPYBB-QUCCMNQESA-N 2 2 352.526 3.998 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388755715 945543023 /nfs/dbraw/zinc/54/30/23/945543023.db2.gz NBKOMOYCAHPYBB-QUCCMNQESA-N 2 2 352.526 3.998 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246837653 945571442 /nfs/dbraw/zinc/57/14/42/945571442.db2.gz ATVNBQKSZVSZMH-ZQMYSKGWSA-N 2 2 365.521 3.968 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246837653 945571449 /nfs/dbraw/zinc/57/14/49/945571449.db2.gz ATVNBQKSZVSZMH-ZQMYSKGWSA-N 2 2 365.521 3.968 20 0 FHADLP Cc1cc(Br)cn2c(CNc3cc4c(c[nH+]3)CCC4)c[nH+]c12 ZINC000550308204 945579299 /nfs/dbraw/zinc/57/92/99/945579299.db2.gz OEZXADVZJYXRSE-UHFFFAOYSA-N 2 2 357.255 3.901 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000651673578 945613095 /nfs/dbraw/zinc/61/30/95/945613095.db2.gz PGTWFGKQPRNNGO-UHFFFAOYSA-N 2 2 372.484 3.640 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000651724973 945787585 /nfs/dbraw/zinc/78/75/85/945787585.db2.gz OSQBUEGZVHTFSV-SFHVURJKSA-N 2 2 369.440 3.650 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168065967 945796331 /nfs/dbraw/zinc/79/63/31/945796331.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168065967 945796332 /nfs/dbraw/zinc/79/63/32/945796332.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065967 945796334 /nfs/dbraw/zinc/79/63/34/945796334.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065967 945796339 /nfs/dbraw/zinc/79/63/39/945796339.db2.gz ZJERXXVHNZHNHH-JIYJMNMHSA-N 2 2 368.443 3.832 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301673544 945907479 /nfs/dbraw/zinc/90/74/79/945907479.db2.gz OSSSQKVPHWOOPI-QGZVFWFLSA-N 2 2 367.493 3.703 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786106 945916226 /nfs/dbraw/zinc/91/62/26/945916226.db2.gz KYRAQJLKQXNUNR-OALUTQOASA-N 2 2 353.510 3.900 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786106 945916230 /nfs/dbraw/zinc/91/62/30/945916230.db2.gz KYRAQJLKQXNUNR-OALUTQOASA-N 2 2 353.510 3.900 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000301707582 945925076 /nfs/dbraw/zinc/92/50/76/945925076.db2.gz JBIHKGZIUWVUEG-OXQOHEQNSA-N 2 2 367.493 3.640 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000301707582 945925090 /nfs/dbraw/zinc/92/50/90/945925090.db2.gz JBIHKGZIUWVUEG-OXQOHEQNSA-N 2 2 367.493 3.640 20 0 FHADLP Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000101544114 945953398 /nfs/dbraw/zinc/95/33/98/945953398.db2.gz NWIIAMNGEAZJDX-UHFFFAOYSA-N 2 2 374.488 3.529 20 0 FHADLP Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000101544114 945953404 /nfs/dbraw/zinc/95/34/04/945953404.db2.gz NWIIAMNGEAZJDX-UHFFFAOYSA-N 2 2 374.488 3.529 20 0 FHADLP CCCc1cc(N2CC[NH+](Cc3cc(C)no3)CC2)c2ccccc2[nH+]1 ZINC000301771916 945958091 /nfs/dbraw/zinc/95/80/91/945958091.db2.gz DYRKRPCYXLWNCN-UHFFFAOYSA-N 2 2 350.466 3.806 20 0 FHADLP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737862 945980056 /nfs/dbraw/zinc/98/00/56/945980056.db2.gz HGLFQRWCZNRVCN-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737862 945980065 /nfs/dbraw/zinc/98/00/65/945980065.db2.gz HGLFQRWCZNRVCN-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737862 945980069 /nfs/dbraw/zinc/98/00/69/945980069.db2.gz HGLFQRWCZNRVCN-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000303737862 945980077 /nfs/dbraw/zinc/98/00/77/945980077.db2.gz HGLFQRWCZNRVCN-PGRDOPGGSA-N 2 2 366.505 3.958 20 0 FHADLP CC(C)c1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000301855316 946005124 /nfs/dbraw/zinc/00/51/24/946005124.db2.gz HYKIRPSHHXNEAB-MOPGFXCFSA-N 2 2 360.546 3.903 20 0 FHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCC([NH+]2CCCCC2)CC1 ZINC000301864665 946009820 /nfs/dbraw/zinc/00/98/20/946009820.db2.gz FQGCSQVEDXSAJJ-UHFFFAOYSA-N 2 2 356.518 3.790 20 0 FHADLP Cc1[nH]c(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[nH+]c1C ZINC000896913866 946125092 /nfs/dbraw/zinc/12/50/92/946125092.db2.gz MLFDUJDYTXXERN-UHFFFAOYSA-N 2 2 362.477 3.589 20 0 FHADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000302238101 946191693 /nfs/dbraw/zinc/19/16/93/946191693.db2.gz GWFXRHOMNUAXJL-AWEZNQCLSA-N 2 2 366.431 3.692 20 0 FHADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000302238101 946191707 /nfs/dbraw/zinc/19/17/07/946191707.db2.gz GWFXRHOMNUAXJL-AWEZNQCLSA-N 2 2 366.431 3.692 20 0 FHADLP Cc1cc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000302589342 946257920 /nfs/dbraw/zinc/25/79/20/946257920.db2.gz VSRYKCDLSKGRKC-GOSISDBHSA-N 2 2 365.399 3.894 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000508482083 946267204 /nfs/dbraw/zinc/26/72/04/946267204.db2.gz BSNKWJKTHOXYEI-VQIMIIECSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000508482083 946267214 /nfs/dbraw/zinc/26/72/14/946267214.db2.gz BSNKWJKTHOXYEI-VQIMIIECSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482083 946267225 /nfs/dbraw/zinc/26/72/25/946267225.db2.gz BSNKWJKTHOXYEI-VQIMIIECSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482083 946267237 /nfs/dbraw/zinc/26/72/37/946267237.db2.gz BSNKWJKTHOXYEI-VQIMIIECSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302870837 946360869 /nfs/dbraw/zinc/36/08/69/946360869.db2.gz BLLNYRMWHPIGOA-MJGOQNOKSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000302870837 946360883 /nfs/dbraw/zinc/36/08/83/946360883.db2.gz BLLNYRMWHPIGOA-MJGOQNOKSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000302870837 946360893 /nfs/dbraw/zinc/36/08/93/946360893.db2.gz BLLNYRMWHPIGOA-MJGOQNOKSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000302870837 946360904 /nfs/dbraw/zinc/36/09/04/946360904.db2.gz BLLNYRMWHPIGOA-MJGOQNOKSA-N 2 2 351.498 3.542 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@@H](C(C)C)[NH+]3CCC(C)CC3)ccc2[nH+]1 ZINC000520313968 946405866 /nfs/dbraw/zinc/40/58/66/946405866.db2.gz ZYUUYFBQXKDTST-SFHVURJKSA-N 2 2 357.502 3.521 20 0 FHADLP Brc1cccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000314726925 946440299 /nfs/dbraw/zinc/44/02/99/946440299.db2.gz VITWJVIREILAPN-UHFFFAOYSA-N 2 2 367.331 3.778 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000441362316 946472339 /nfs/dbraw/zinc/47/23/39/946472339.db2.gz HKMCZOGIPSFFHX-GHTZIAJQSA-N 2 2 362.477 3.858 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441363839 946511281 /nfs/dbraw/zinc/51/12/81/946511281.db2.gz KNBUAMPQOFAAJM-AZUAARDMSA-N 2 2 356.514 3.526 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402455 946558135 /nfs/dbraw/zinc/55/81/35/946558135.db2.gz HSDWMXWDEPLBGY-ZJOUEHCJSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402455 946558138 /nfs/dbraw/zinc/55/81/38/946558138.db2.gz HSDWMXWDEPLBGY-ZJOUEHCJSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000441402455 946558149 /nfs/dbraw/zinc/55/81/49/946558149.db2.gz HSDWMXWDEPLBGY-ZJOUEHCJSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000441402455 946558152 /nfs/dbraw/zinc/55/81/52/946558152.db2.gz HSDWMXWDEPLBGY-ZJOUEHCJSA-N 2 2 369.553 3.888 20 0 FHADLP CC(C)CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824244328 946633948 /nfs/dbraw/zinc/63/39/48/946633948.db2.gz QRSVIYTUZKBZRS-QGZVFWFLSA-N 2 2 370.545 3.636 20 0 FHADLP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824401211 946682335 /nfs/dbraw/zinc/68/23/35/946682335.db2.gz OCFCFRMTYPNEEC-MRXNPFEDSA-N 2 2 370.545 3.636 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-c2ccncc2)cc1 ZINC000655719956 946729593 /nfs/dbraw/zinc/72/95/93/946729593.db2.gz XWUMEMJVUJSQIF-JTSKRJEESA-N 2 2 351.494 3.653 20 0 FHADLP c1cc(CNc2cc(N3CCCCC3)nc[nH+]2)cc(C[NH+]2CCCC2)c1 ZINC000110129041 946851786 /nfs/dbraw/zinc/85/17/86/946851786.db2.gz RXADUYONQDSYQQ-UHFFFAOYSA-N 2 2 351.498 3.675 20 0 FHADLP c1cc(CNc2cc(N3CCCCC3)[nH+]cn2)cc(C[NH+]2CCCC2)c1 ZINC000110129041 946851797 /nfs/dbraw/zinc/85/17/97/946851797.db2.gz RXADUYONQDSYQQ-UHFFFAOYSA-N 2 2 351.498 3.675 20 0 FHADLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892854 /nfs/dbraw/zinc/89/28/54/946892854.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 3 2 367.581 3.846 20 0 FHADLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892867 /nfs/dbraw/zinc/89/28/67/946892867.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 3 2 367.581 3.846 20 0 FHADLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892874 /nfs/dbraw/zinc/89/28/74/946892874.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 3 2 367.581 3.846 20 0 FHADLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995003 946892882 /nfs/dbraw/zinc/89/28/82/946892882.db2.gz SVPAPURZCSZHID-KEUGWDJXSA-N 3 2 367.581 3.846 20 0 FHADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475362136 946954369 /nfs/dbraw/zinc/95/43/69/946954369.db2.gz SXUWYYVDPLVUNU-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475362136 946954381 /nfs/dbraw/zinc/95/43/81/946954381.db2.gz SXUWYYVDPLVUNU-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475362136 946954393 /nfs/dbraw/zinc/95/43/93/946954393.db2.gz SXUWYYVDPLVUNU-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1OC ZINC000475362136 946954401 /nfs/dbraw/zinc/95/44/01/946954401.db2.gz SXUWYYVDPLVUNU-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCCC2)c(SC)cc1OC ZINC000444592981 947018426 /nfs/dbraw/zinc/01/84/26/947018426.db2.gz JOGZUEVIHUTRBA-UHFFFAOYSA-N 2 2 352.544 3.734 20 0 FHADLP COc1cc(C[N@H+](C)CCC[NH+]2CCCCC2)c(SC)cc1OC ZINC000444592981 947018414 /nfs/dbraw/zinc/01/84/14/947018414.db2.gz JOGZUEVIHUTRBA-UHFFFAOYSA-N 2 2 352.544 3.734 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1OC ZINC000192925741 947106869 /nfs/dbraw/zinc/10/68/69/947106869.db2.gz VSXRUKOHZITLRR-KRWDZBQOSA-N 2 2 374.912 3.969 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(Cl)c1OC ZINC000192925741 947106879 /nfs/dbraw/zinc/10/68/79/947106879.db2.gz VSXRUKOHZITLRR-KRWDZBQOSA-N 2 2 374.912 3.969 20 0 FHADLP Fc1ccc2c(NC[C@@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301242585 947247734 /nfs/dbraw/zinc/24/77/34/947247734.db2.gz GPGBMBSPGIFKRL-SFHVURJKSA-N 2 2 357.454 3.921 20 0 FHADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248516209 947291349 /nfs/dbraw/zinc/29/13/49/947291349.db2.gz OQOUILHEYMWEJV-NEPJUHHUSA-N 2 2 359.283 3.676 20 0 FHADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248516209 947291360 /nfs/dbraw/zinc/29/13/60/947291360.db2.gz OQOUILHEYMWEJV-NEPJUHHUSA-N 2 2 359.283 3.676 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@H](C)C1 ZINC000248498570 947300209 /nfs/dbraw/zinc/30/02/09/947300209.db2.gz MHGCVAUMAGCUCE-RKVPGOIHSA-N 2 2 354.922 3.833 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@H](C)C1 ZINC000248498570 947300221 /nfs/dbraw/zinc/30/02/21/947300221.db2.gz MHGCVAUMAGCUCE-RKVPGOIHSA-N 2 2 354.922 3.833 20 0 FHADLP Cc1nc(Cl)cc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000301373682 947313142 /nfs/dbraw/zinc/31/31/42/947313142.db2.gz RESBLKXKDUDFQJ-UHFFFAOYSA-N 2 2 359.905 3.960 20 0 FHADLP Oc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)c1 ZINC000301412710 947331985 /nfs/dbraw/zinc/33/19/85/947331985.db2.gz PVJOZFFSWDMXJY-UHFFFAOYSA-N 2 2 353.853 3.916 20 0 FHADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523543906 947357987 /nfs/dbraw/zinc/35/79/87/947357987.db2.gz JCUXLXQCVUSZPW-UHFFFAOYSA-N 2 2 374.488 3.674 20 0 FHADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000165268684 947582234 /nfs/dbraw/zinc/58/22/34/947582234.db2.gz VZNVVMRBQWXBJG-RXVVDRJESA-N 2 2 362.521 3.914 20 0 FHADLP Cc1cccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000165268684 947582243 /nfs/dbraw/zinc/58/22/43/947582243.db2.gz VZNVVMRBQWXBJG-RXVVDRJESA-N 2 2 362.521 3.914 20 0 FHADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3F)c2)CCO1 ZINC000189281400 947669644 /nfs/dbraw/zinc/66/96/44/947669644.db2.gz LFWFPINTHKLCQS-HNNXBMFYSA-N 2 2 362.876 3.990 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3F)c2)CCO1 ZINC000189281400 947669650 /nfs/dbraw/zinc/66/96/50/947669650.db2.gz LFWFPINTHKLCQS-HNNXBMFYSA-N 2 2 362.876 3.990 20 0 FHADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662290412 947713811 /nfs/dbraw/zinc/71/38/11/947713811.db2.gz ULPQDOGMJCHLSE-CQSZACIVSA-N 2 2 370.324 3.644 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)n2)CC1 ZINC000662364588 947763411 /nfs/dbraw/zinc/76/34/11/947763411.db2.gz ITSCVUAVMPHVOZ-GOSISDBHSA-N 2 2 370.522 3.548 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]CCOCc2ccc(Cl)cc2Cl)s1 ZINC000511974495 947890442 /nfs/dbraw/zinc/89/04/42/947890442.db2.gz VBHAMMMQPFLGQK-UHFFFAOYSA-N 2 2 374.337 3.818 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc(C2CCCCC2)no1 ZINC000608142357 947949410 /nfs/dbraw/zinc/94/94/10/947949410.db2.gz NGFYHUFHGFLAFV-MRXNPFEDSA-N 2 2 372.513 3.909 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1)CC(C)C ZINC000459071046 948029209 /nfs/dbraw/zinc/02/92/09/948029209.db2.gz GOXILQGYXKITQB-UHFFFAOYSA-N 2 2 374.573 3.988 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2c[nH+]c(C)cc2C)CC1)CC(C)C ZINC000459071046 948029219 /nfs/dbraw/zinc/02/92/19/948029219.db2.gz GOXILQGYXKITQB-UHFFFAOYSA-N 2 2 374.573 3.988 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c[nH+]1 ZINC000459071106 948029587 /nfs/dbraw/zinc/02/95/87/948029587.db2.gz GRRJSKGYCKSAOM-LJQANCHMSA-N 2 2 372.557 3.885 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c[nH+]1 ZINC000459071106 948029596 /nfs/dbraw/zinc/02/95/96/948029596.db2.gz GRRJSKGYCKSAOM-LJQANCHMSA-N 2 2 372.557 3.885 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469863 948063817 /nfs/dbraw/zinc/06/38/17/948063817.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469863 948063820 /nfs/dbraw/zinc/06/38/20/948063820.db2.gz RGKCXVAMOGKZIR-FXAWDEMLSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000459090472 948076622 /nfs/dbraw/zinc/07/66/22/948076622.db2.gz ZRIYHJSMXOQCLB-UHFFFAOYSA-N 2 2 366.509 3.504 20 0 FHADLP CC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Cl ZINC000512065802 948344778 /nfs/dbraw/zinc/34/47/78/948344778.db2.gz BJUKZCHGUYLYPG-CYBMUJFWSA-N 2 2 353.919 3.805 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1F ZINC000432418535 948368163 /nfs/dbraw/zinc/36/81/63/948368163.db2.gz SMQCBMPZIRZQLL-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1F ZINC000432418535 948368165 /nfs/dbraw/zinc/36/81/65/948368165.db2.gz SMQCBMPZIRZQLL-UONOGXRCSA-N 2 2 373.310 3.740 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432421073 948382268 /nfs/dbraw/zinc/38/22/68/948382268.db2.gz FNUJELXHWLLEDN-CVDCTZTESA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2)cc1 ZINC000432421073 948382278 /nfs/dbraw/zinc/38/22/78/948382278.db2.gz FNUJELXHWLLEDN-CVDCTZTESA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432421072 948382516 /nfs/dbraw/zinc/38/25/16/948382516.db2.gz FNUJELXHWLLEDN-AUSIDOKSSA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432421072 948382517 /nfs/dbraw/zinc/38/25/17/948382517.db2.gz FNUJELXHWLLEDN-AUSIDOKSSA-N 2 2 368.521 3.875 20 0 FHADLP CC[N@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512084513 948388195 /nfs/dbraw/zinc/38/81/95/948388195.db2.gz WVDDGXWKEJTNPX-LLVKDONJSA-N 2 2 365.827 3.617 20 0 FHADLP CC[N@@H+](C)CC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512084513 948388201 /nfs/dbraw/zinc/38/82/01/948388201.db2.gz WVDDGXWKEJTNPX-LLVKDONJSA-N 2 2 365.827 3.617 20 0 FHADLP C[C@@H]1CC([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004833 948412588 /nfs/dbraw/zinc/41/25/88/948412588.db2.gz AFKDNQFVVRGGDA-YVHKJVDXSA-N 2 2 356.485 3.890 20 0 FHADLP COc1cccc(OC)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000512145253 948553610 /nfs/dbraw/zinc/55/36/10/948553610.db2.gz MAPFDIWWBPLBEJ-UHFFFAOYSA-N 2 2 355.413 3.627 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275846856 527498717 /nfs/dbraw/zinc/49/87/17/527498717.db2.gz WNMKKDIJYYBOMM-MRXNPFEDSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275846856 527498722 /nfs/dbraw/zinc/49/87/22/527498722.db2.gz WNMKKDIJYYBOMM-MRXNPFEDSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275846856 527498728 /nfs/dbraw/zinc/49/87/28/527498728.db2.gz WNMKKDIJYYBOMM-MRXNPFEDSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275846856 527498734 /nfs/dbraw/zinc/49/87/34/527498734.db2.gz WNMKKDIJYYBOMM-MRXNPFEDSA-N 2 2 354.523 3.887 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000275709485 527513126 /nfs/dbraw/zinc/51/31/26/527513126.db2.gz YFGUPTROBHZQHA-HNAYVOBHSA-N 2 2 353.422 3.815 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000275534312 527513294 /nfs/dbraw/zinc/51/32/94/527513294.db2.gz MEKCHBYUOLNEKY-KDOFPFPSSA-N 2 2 356.857 3.632 20 0 FHADLP COC(=O)c1csc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000602667980 568014321 /nfs/dbraw/zinc/01/43/21/568014321.db2.gz RXURGAMBTPXRDY-RBUKOAKNSA-N 2 2 367.474 3.750 20 0 FHADLP CC[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603874149 568174606 /nfs/dbraw/zinc/17/46/06/568174606.db2.gz YGIMFYPNRVMIDW-TZIWHRDSSA-N 2 2 363.590 3.610 20 0 FHADLP CC[C@H](CC1CCCCC1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603874149 568174607 /nfs/dbraw/zinc/17/46/07/568174607.db2.gz YGIMFYPNRVMIDW-TZIWHRDSSA-N 2 2 363.590 3.610 20 0 FHADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604330780 568250837 /nfs/dbraw/zinc/25/08/37/568250837.db2.gz AEWVEAAVSIZYIE-SFHVURJKSA-N 2 2 353.466 3.787 20 0 FHADLP CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604330780 568250838 /nfs/dbraw/zinc/25/08/38/568250838.db2.gz AEWVEAAVSIZYIE-SFHVURJKSA-N 2 2 353.466 3.787 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](c4ccccc4)C[C@H]3C)c2cc1C ZINC000604392981 568282997 /nfs/dbraw/zinc/28/29/97/568282997.db2.gz PGSDYJSXSOKWIP-HMXCVIKNSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](c4ccccc4)C[C@H]3C)c2cc1C ZINC000604392981 568282999 /nfs/dbraw/zinc/28/29/99/568282999.db2.gz PGSDYJSXSOKWIP-HMXCVIKNSA-N 2 2 363.505 3.892 20 0 FHADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338892 /nfs/dbraw/zinc/33/88/92/568338892.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 3 2 361.961 3.938 20 0 FHADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338893 /nfs/dbraw/zinc/33/88/93/568338893.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338894 /nfs/dbraw/zinc/33/88/94/568338894.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226334 568338895 /nfs/dbraw/zinc/33/88/95/568338895.db2.gz ZWGPUQVFNDFHRA-ZMWHVPEISA-N 3 2 361.961 3.938 20 0 FHADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251813 568351901 /nfs/dbraw/zinc/35/19/01/568351901.db2.gz BOZILJBSYQSGPV-YJBOKZPZSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251813 568351902 /nfs/dbraw/zinc/35/19/02/568351902.db2.gz BOZILJBSYQSGPV-YJBOKZPZSA-N 2 2 356.432 3.682 20 0 FHADLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1cccc(OC)c1 ZINC000604756682 568365013 /nfs/dbraw/zinc/36/50/13/568365013.db2.gz RNAXPZIAWGIZAC-IBGZPJMESA-N 2 2 354.498 3.588 20 0 FHADLP OC1CC[NH+](Cc2ccc(NCc3cc(-n4cc[nH+]c4)cs3)cc2)CC1 ZINC000643286521 568528674 /nfs/dbraw/zinc/52/86/74/568528674.db2.gz FUZFHODHYQJUSQ-UHFFFAOYSA-N 2 2 368.506 3.503 20 0 FHADLP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(C4CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839474 720641283 /nfs/dbraw/zinc/64/12/83/720641283.db2.gz NKFAWSZAAAPQEG-IRFCIJBXSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(C4CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839474 720641306 /nfs/dbraw/zinc/64/13/06/720641306.db2.gz NKFAWSZAAAPQEG-IRFCIJBXSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1cccc2c1cc[nH+]c2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164788892 721411205 /nfs/dbraw/zinc/41/12/05/721411205.db2.gz SLGOGQZGFBXURP-HOTGVXAUSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1cc2ccccc2c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)[nH+]1 ZINC001164787189 721418638 /nfs/dbraw/zinc/41/86/38/721418638.db2.gz POQINJGVAJPNTN-IAGOWNOFSA-N 2 2 350.491 3.568 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022602 721811168 /nfs/dbraw/zinc/81/11/68/721811168.db2.gz GAAZWJZAGBNLAH-DFQSSKMNSA-N 2 2 366.509 3.531 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022602 721811169 /nfs/dbraw/zinc/81/11/69/721811169.db2.gz GAAZWJZAGBNLAH-DFQSSKMNSA-N 2 2 366.509 3.531 20 0 FHADLP CCOC(=O)c1c(C)cc(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]c1C ZINC001165046659 721972305 /nfs/dbraw/zinc/97/23/05/721972305.db2.gz CJAVYEIZLAPYAZ-SFHVURJKSA-N 2 2 359.514 3.720 20 0 FHADLP Cc1sc(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)c1C ZINC000079441007 937092351 /nfs/dbraw/zinc/09/23/51/937092351.db2.gz VFYPVVABQMUHHC-UHFFFAOYSA-N 2 2 372.538 3.608 20 0 FHADLP Cc1sc(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)c1C ZINC000079441007 937092355 /nfs/dbraw/zinc/09/23/55/937092355.db2.gz VFYPVVABQMUHHC-UHFFFAOYSA-N 2 2 372.538 3.608 20 0 FHADLP CCC(CC)(CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000654785221 927305657 /nfs/dbraw/zinc/30/56/57/927305657.db2.gz DTQQNSMTWXQPRR-DLBZAZTESA-N 2 2 356.514 3.614 20 0 FHADLP CCC(CC)(CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000654785221 927305673 /nfs/dbraw/zinc/30/56/73/927305673.db2.gz DTQQNSMTWXQPRR-DLBZAZTESA-N 2 2 356.514 3.614 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCn1cc[nH+]c1C ZINC000052120012 937152278 /nfs/dbraw/zinc/15/22/78/937152278.db2.gz MINOWBYQCVZUEW-UHFFFAOYSA-N 2 2 357.889 3.746 20 0 FHADLP COc1cccc2c1CC[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C2 ZINC000683160313 927603216 /nfs/dbraw/zinc/60/32/16/927603216.db2.gz LIMDGDVZKNTYPX-PZJWPPBQSA-N 2 2 361.489 3.860 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150784386 937177498 /nfs/dbraw/zinc/17/74/98/937177498.db2.gz XRKWVLAHZKLQNL-HNNXBMFYSA-N 2 2 358.507 3.606 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150784386 937177502 /nfs/dbraw/zinc/17/75/02/937177502.db2.gz XRKWVLAHZKLQNL-HNNXBMFYSA-N 2 2 358.507 3.606 20 0 FHADLP c1cn(-c2ccc(-c3noc(C4(CC5CCC5)CC[NH2+]CC4)n3)cc2)c[nH+]1 ZINC001211500935 928072413 /nfs/dbraw/zinc/07/24/13/928072413.db2.gz SMVMQSWBVSMTRK-UHFFFAOYSA-N 2 2 363.465 3.734 20 0 FHADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000655159932 928391263 /nfs/dbraw/zinc/39/12/63/928391263.db2.gz LZYZCNMGSIBSNF-INIZCTEOSA-N 2 2 372.538 3.805 20 0 FHADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000655159932 928391280 /nfs/dbraw/zinc/39/12/80/928391280.db2.gz LZYZCNMGSIBSNF-INIZCTEOSA-N 2 2 372.538 3.805 20 0 FHADLP O[C@@]1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000535616679 929060882 /nfs/dbraw/zinc/06/08/82/929060882.db2.gz KWBVXCMVPPSNNU-OAQYLSRUSA-N 2 2 370.880 3.813 20 0 FHADLP O[C@@]1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000535616679 929060895 /nfs/dbraw/zinc/06/08/95/929060895.db2.gz KWBVXCMVPPSNNU-OAQYLSRUSA-N 2 2 370.880 3.813 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233871 929407339 /nfs/dbraw/zinc/40/73/39/929407339.db2.gz GGYBBDONYXDDCU-RZFNWQHOSA-N 2 2 371.569 3.696 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233871 929407344 /nfs/dbraw/zinc/40/73/44/929407344.db2.gz GGYBBDONYXDDCU-RZFNWQHOSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233871 929407347 /nfs/dbraw/zinc/40/73/47/929407347.db2.gz GGYBBDONYXDDCU-RZFNWQHOSA-N 2 2 371.569 3.696 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](c2ccccc2)C2CCCC2)[C@H](C)C1 ZINC000471233871 929407351 /nfs/dbraw/zinc/40/73/51/929407351.db2.gz GGYBBDONYXDDCU-RZFNWQHOSA-N 2 2 371.569 3.696 20 0 FHADLP C[NH+]1CCN(c2ncccc2C[NH2+]C(c2ccccc2)c2ccccc2)CC1 ZINC000180265916 929442899 /nfs/dbraw/zinc/44/28/99/929442899.db2.gz TYOMSGVWQYYLJQ-UHFFFAOYSA-N 2 2 372.516 3.713 20 0 FHADLP Cc1ccc(-c2ncc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1C ZINC000657752265 937350589 /nfs/dbraw/zinc/35/05/89/937350589.db2.gz OLRPQYBHVVCHET-LJQANCHMSA-N 2 2 371.550 3.770 20 0 FHADLP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC3 ZINC000123202387 929891595 /nfs/dbraw/zinc/89/15/95/929891595.db2.gz FGQGLIMVLXGMBE-MRXNPFEDSA-N 2 2 364.493 3.911 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623366 929995304 /nfs/dbraw/zinc/99/53/04/929995304.db2.gz GUZPPKHUUBIIHJ-UHOSZYNNSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623366 929995306 /nfs/dbraw/zinc/99/53/06/929995306.db2.gz GUZPPKHUUBIIHJ-UHOSZYNNSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623366 929995311 /nfs/dbraw/zinc/99/53/11/929995311.db2.gz GUZPPKHUUBIIHJ-UHOSZYNNSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000312623366 929995314 /nfs/dbraw/zinc/99/53/14/929995314.db2.gz GUZPPKHUUBIIHJ-UHOSZYNNSA-N 2 2 368.477 3.581 20 0 FHADLP O[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@H](C(F)(F)F)C1 ZINC000548036044 930097279 /nfs/dbraw/zinc/09/72/79/930097279.db2.gz LKPIPODRFNOTBH-WFASDCNBSA-N 2 2 359.417 3.507 20 0 FHADLP Cn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080203436 937382250 /nfs/dbraw/zinc/38/22/50/937382250.db2.gz IUWYNQNTYFHLAN-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000080203436 937382251 /nfs/dbraw/zinc/38/22/51/937382251.db2.gz IUWYNQNTYFHLAN-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000124225729 930301047 /nfs/dbraw/zinc/30/10/47/930301047.db2.gz LCGCECQPSQHHLE-FQEVSTJZSA-N 2 2 366.440 3.724 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000124225729 930301053 /nfs/dbraw/zinc/30/10/53/930301053.db2.gz LCGCECQPSQHHLE-FQEVSTJZSA-N 2 2 366.440 3.724 20 0 FHADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000261959748 930315304 /nfs/dbraw/zinc/31/53/04/930315304.db2.gz OOOZSAQJBPOOCH-SECBINFHSA-N 2 2 364.704 3.645 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000656254180 930870486 /nfs/dbraw/zinc/87/04/86/930870486.db2.gz CSLLKBBQKSHGBR-GOSISDBHSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000656254180 930870494 /nfs/dbraw/zinc/87/04/94/930870494.db2.gz CSLLKBBQKSHGBR-GOSISDBHSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000656254180 930870502 /nfs/dbraw/zinc/87/05/02/930870502.db2.gz CSLLKBBQKSHGBR-GOSISDBHSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000656254180 930870517 /nfs/dbraw/zinc/87/05/17/930870517.db2.gz CSLLKBBQKSHGBR-GOSISDBHSA-N 2 2 372.944 3.998 20 0 FHADLP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000684026361 931013230 /nfs/dbraw/zinc/01/32/30/931013230.db2.gz ZABMTSLMOCRFAN-VQIMIIECSA-N 2 2 356.466 3.921 20 0 FHADLP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC ZINC000684026361 931013241 /nfs/dbraw/zinc/01/32/41/931013241.db2.gz ZABMTSLMOCRFAN-VQIMIIECSA-N 2 2 356.466 3.921 20 0 FHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cc(Cl)ccc1Br ZINC000580833445 931243990 /nfs/dbraw/zinc/24/39/90/931243990.db2.gz OYDHKHDVRMRPDF-UHFFFAOYSA-N 2 2 354.679 3.853 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccccc3C[NH+](C)C)n2)C1 ZINC000581226567 931700876 /nfs/dbraw/zinc/70/08/76/931700876.db2.gz JNWTZBLDNDASFJ-OAHLLOKOSA-N 2 2 372.538 3.689 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccccc3C[NH+](C)C)n2)C1 ZINC000581226567 931700885 /nfs/dbraw/zinc/70/08/85/931700885.db2.gz JNWTZBLDNDASFJ-OAHLLOKOSA-N 2 2 372.538 3.689 20 0 FHADLP CC[NH+](CC)[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1cccc(C(F)(F)F)c1 ZINC000647150053 931772894 /nfs/dbraw/zinc/77/28/94/931772894.db2.gz YPRXBQDNKSFAEQ-HUUCEWRRSA-N 2 2 368.403 3.944 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430548566 931781031 /nfs/dbraw/zinc/78/10/31/931781031.db2.gz MCBKBQMZOQGDHR-KSZLIROESA-N 2 2 367.493 3.865 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430548566 931781033 /nfs/dbraw/zinc/78/10/33/931781033.db2.gz MCBKBQMZOQGDHR-KSZLIROESA-N 2 2 367.493 3.865 20 0 FHADLP [NH3+]CCC1CC[NH+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)CC1 ZINC000581315881 931821157 /nfs/dbraw/zinc/82/11/57/931821157.db2.gz XLUIIOZYJQMEAI-UHFFFAOYSA-N 2 2 368.506 3.625 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430578423 931936274 /nfs/dbraw/zinc/93/62/74/931936274.db2.gz WVLGFFMTRCJVII-RTWAWAEBSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cn1 ZINC000581523302 932204710 /nfs/dbraw/zinc/20/47/10/932204710.db2.gz CEICYGUOXIHUQY-GFCCVEGCSA-N 2 2 366.278 3.896 20 0 FHADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608577 932211437 /nfs/dbraw/zinc/21/14/37/932211437.db2.gz DQQFZQFPGQEWIY-LBPRGKRZSA-N 2 2 366.328 3.743 20 0 FHADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608577 932211440 /nfs/dbraw/zinc/21/14/40/932211440.db2.gz DQQFZQFPGQEWIY-LBPRGKRZSA-N 2 2 366.328 3.743 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000090721362 933105555 /nfs/dbraw/zinc/10/55/55/933105555.db2.gz DUBZYVCZMMSBTC-GWCFXTLKSA-N 2 2 363.246 3.623 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000090721362 933105563 /nfs/dbraw/zinc/10/55/63/933105563.db2.gz DUBZYVCZMMSBTC-GWCFXTLKSA-N 2 2 363.246 3.623 20 0 FHADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000581973399 933148304 /nfs/dbraw/zinc/14/83/04/933148304.db2.gz LUGGIVNZLLQSPC-GHTZIAJQSA-N 2 2 365.452 3.988 20 0 FHADLP CCCCc1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854571 933156777 /nfs/dbraw/zinc/15/67/77/933156777.db2.gz ATBMUONWBQOAJM-RBUKOAKNSA-N 2 2 356.514 3.584 20 0 FHADLP CCCCc1noc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854571 933156780 /nfs/dbraw/zinc/15/67/80/933156780.db2.gz ATBMUONWBQOAJM-RBUKOAKNSA-N 2 2 356.514 3.584 20 0 FHADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000510528920 933189219 /nfs/dbraw/zinc/18/92/19/933189219.db2.gz ZIJRYNQVWRGKFZ-DYESRHJHSA-N 2 2 362.477 3.602 20 0 FHADLP C[N@H+](CCSCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000430760139 933211704 /nfs/dbraw/zinc/21/17/04/933211704.db2.gz QXAXIJVDGKMPCF-SFTDATJTSA-N 2 2 355.551 3.940 20 0 FHADLP C[N@@H+](CCSCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000430760139 933211711 /nfs/dbraw/zinc/21/17/11/933211711.db2.gz QXAXIJVDGKMPCF-SFTDATJTSA-N 2 2 355.551 3.940 20 0 FHADLP C[NH+](CCSCc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000430760139 933211723 /nfs/dbraw/zinc/21/17/23/933211723.db2.gz QXAXIJVDGKMPCF-SFTDATJTSA-N 2 2 355.551 3.940 20 0 FHADLP C[NH+](CCSCc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000430760139 933211731 /nfs/dbraw/zinc/21/17/31/933211731.db2.gz QXAXIJVDGKMPCF-SFTDATJTSA-N 2 2 355.551 3.940 20 0 FHADLP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@@H](C)CC4)CC1 ZINC000430927100 933424488 /nfs/dbraw/zinc/42/44/88/933424488.db2.gz PLDMHALIVJSCDG-STQMWFEESA-N 2 2 374.554 3.514 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@H](c2cccc(C)c2)c2cccc(F)c2)CC1 ZINC000510694560 933440430 /nfs/dbraw/zinc/44/04/30/933440430.db2.gz JAVHCOBGEJIIRX-JOCHJYFZSA-N 2 2 356.485 3.924 20 0 FHADLP C[N@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891839467 933548827 /nfs/dbraw/zinc/54/88/27/933548827.db2.gz GQFJNEBMVUDPND-UHFFFAOYSA-N 2 2 365.521 3.546 20 0 FHADLP C[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000891839467 933548830 /nfs/dbraw/zinc/54/88/30/933548830.db2.gz GQFJNEBMVUDPND-UHFFFAOYSA-N 2 2 365.521 3.546 20 0 FHADLP COC(=O)c1sccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610675189 933736904 /nfs/dbraw/zinc/73/69/04/933736904.db2.gz KOYVZKYSFYFEEV-UHFFFAOYSA-N 2 2 350.528 3.623 20 0 FHADLP CCC[N@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000535666520 934087370 /nfs/dbraw/zinc/08/73/70/934087370.db2.gz VAQKOUZQBBTWGA-UHFFFAOYSA-N 2 2 369.296 3.849 20 0 FHADLP CCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000535666520 934087376 /nfs/dbraw/zinc/08/73/76/934087376.db2.gz VAQKOUZQBBTWGA-UHFFFAOYSA-N 2 2 369.296 3.849 20 0 FHADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000093394630 934130340 /nfs/dbraw/zinc/13/03/40/934130340.db2.gz MGAZRGDFHCLDGB-UHFFFAOYSA-N 2 2 362.514 3.833 20 0 FHADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000093394630 934130345 /nfs/dbraw/zinc/13/03/45/934130345.db2.gz MGAZRGDFHCLDGB-UHFFFAOYSA-N 2 2 362.514 3.833 20 0 FHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000092729135 934149878 /nfs/dbraw/zinc/14/98/78/934149878.db2.gz YKBJJWIMHHGJJM-OAQYLSRUSA-N 2 2 367.541 3.669 20 0 FHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000092729135 934149881 /nfs/dbraw/zinc/14/98/81/934149881.db2.gz YKBJJWIMHHGJJM-OAQYLSRUSA-N 2 2 367.541 3.669 20 0 FHADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741948 934169608 /nfs/dbraw/zinc/16/96/08/934169608.db2.gz MXCWBMVPSHHXLL-OAHLLOKOSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741948 934169614 /nfs/dbraw/zinc/16/96/14/934169614.db2.gz MXCWBMVPSHHXLL-OAHLLOKOSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741948 934169619 /nfs/dbraw/zinc/16/96/19/934169619.db2.gz MXCWBMVPSHHXLL-OAHLLOKOSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741948 934169622 /nfs/dbraw/zinc/16/96/22/934169622.db2.gz MXCWBMVPSHHXLL-OAHLLOKOSA-N 2 2 352.544 3.589 20 0 FHADLP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C[NH+](C)C ZINC000458268338 934571858 /nfs/dbraw/zinc/57/18/58/934571858.db2.gz QORVZLJLYZAVSQ-HNNXBMFYSA-N 2 2 354.498 3.647 20 0 FHADLP Cc1cc(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C[NH+](C)C ZINC000458268338 934571862 /nfs/dbraw/zinc/57/18/62/934571862.db2.gz QORVZLJLYZAVSQ-HNNXBMFYSA-N 2 2 354.498 3.647 20 0 FHADLP Cn1cc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2ccc(F)cc21 ZINC000472042388 934880122 /nfs/dbraw/zinc/88/01/22/934880122.db2.gz CUNAULBXCLXCNF-UHFFFAOYSA-N 2 2 354.454 3.897 20 0 FHADLP CCSc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000472062384 934919012 /nfs/dbraw/zinc/91/90/12/934919012.db2.gz JZSSALHLMUWNIC-OAQYLSRUSA-N 2 2 356.535 3.525 20 0 FHADLP CCSc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000472062384 934919015 /nfs/dbraw/zinc/91/90/15/934919015.db2.gz JZSSALHLMUWNIC-OAQYLSRUSA-N 2 2 356.535 3.525 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000431328693 935078321 /nfs/dbraw/zinc/07/83/21/935078321.db2.gz OFODLDFKFWDOQR-MJGOQNOKSA-N 2 2 366.933 3.545 20 0 FHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000548635662 935082421 /nfs/dbraw/zinc/08/24/21/935082421.db2.gz HXBJVHKGXKBCTL-XJKSGUPXSA-N 2 2 368.506 3.989 20 0 FHADLP Cc1[nH+]ccn1CCCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000536487501 935085443 /nfs/dbraw/zinc/08/54/43/935085443.db2.gz CUDGESUQJZPUPG-UHFFFAOYSA-N 2 2 372.516 3.969 20 0 FHADLP CCCCc1noc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536486107 935087310 /nfs/dbraw/zinc/08/73/10/935087310.db2.gz OPGFWSYCVNYXIV-UHFFFAOYSA-N 2 2 368.525 3.900 20 0 FHADLP CCCCc1noc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000536486107 935087317 /nfs/dbraw/zinc/08/73/17/935087317.db2.gz OPGFWSYCVNYXIV-UHFFFAOYSA-N 2 2 368.525 3.900 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000582149190 935342185 /nfs/dbraw/zinc/34/21/85/935342185.db2.gz ARQFHQPKACYIRL-SFHVURJKSA-N 2 2 363.889 3.616 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000582149190 935342192 /nfs/dbraw/zinc/34/21/92/935342192.db2.gz ARQFHQPKACYIRL-SFHVURJKSA-N 2 2 363.889 3.616 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365398 935386011 /nfs/dbraw/zinc/38/60/11/935386011.db2.gz ABOMYRMABPHGOZ-QAPCUYQASA-N 2 2 366.431 3.910 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365398 935386015 /nfs/dbraw/zinc/38/60/15/935386015.db2.gz ABOMYRMABPHGOZ-QAPCUYQASA-N 2 2 366.431 3.910 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234070 935460568 /nfs/dbraw/zinc/46/05/68/935460568.db2.gz BBVOVAILOKOOEY-IUODEOHRSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234070 935460570 /nfs/dbraw/zinc/46/05/70/935460570.db2.gz BBVOVAILOKOOEY-IUODEOHRSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000892234070 935460573 /nfs/dbraw/zinc/46/05/73/935460573.db2.gz BBVOVAILOKOOEY-IUODEOHRSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000892234070 935460574 /nfs/dbraw/zinc/46/05/74/935460574.db2.gz BBVOVAILOKOOEY-IUODEOHRSA-N 2 2 359.461 3.697 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388333 935502501 /nfs/dbraw/zinc/50/25/01/935502501.db2.gz JKXZEMYNLCBWQX-FXAWDEMLSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388333 935502503 /nfs/dbraw/zinc/50/25/03/935502503.db2.gz JKXZEMYNLCBWQX-FXAWDEMLSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388336 935502653 /nfs/dbraw/zinc/50/26/53/935502653.db2.gz JKXZEMYNLCBWQX-YLJYHZDGSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388336 935502657 /nfs/dbraw/zinc/50/26/57/935502657.db2.gz JKXZEMYNLCBWQX-YLJYHZDGSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388431 935506314 /nfs/dbraw/zinc/50/63/14/935506314.db2.gz KZROVMDFROGLHV-HOCLYGCPSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388431 935506317 /nfs/dbraw/zinc/50/63/17/935506317.db2.gz KZROVMDFROGLHV-HOCLYGCPSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388429 935506556 /nfs/dbraw/zinc/50/65/56/935506556.db2.gz KZROVMDFROGLHV-GDBMZVCRSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388429 935506558 /nfs/dbraw/zinc/50/65/58/935506558.db2.gz KZROVMDFROGLHV-GDBMZVCRSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561447 /nfs/dbraw/zinc/56/14/47/935561447.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 2 363.549 3.757 20 0 FHADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647248824 935561450 /nfs/dbraw/zinc/56/14/50/935561450.db2.gz INHNIKLPJGQZBV-UQAQOTMJSA-N 2 2 363.549 3.757 20 0 FHADLP COC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448170 935721253 /nfs/dbraw/zinc/72/12/53/935721253.db2.gz UBVGTRNUWKTEHK-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448170 935721255 /nfs/dbraw/zinc/72/12/55/935721255.db2.gz UBVGTRNUWKTEHK-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448170 935721256 /nfs/dbraw/zinc/72/12/56/935721256.db2.gz UBVGTRNUWKTEHK-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000582448170 935721260 /nfs/dbraw/zinc/72/12/60/935721260.db2.gz UBVGTRNUWKTEHK-AVRDEDQJSA-N 2 2 366.505 3.958 20 0 FHADLP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000582502614 935780796 /nfs/dbraw/zinc/78/07/96/935780796.db2.gz KEYVJJRBLPQPPB-NRFANRHFSA-N 2 2 362.477 3.861 20 0 FHADLP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc21 ZINC000657448014 935788845 /nfs/dbraw/zinc/78/88/45/935788845.db2.gz VVIHSUYHVQJTOG-OAQYLSRUSA-N 2 2 363.505 3.857 20 0 FHADLP Cc1cccc2[nH]c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc21 ZINC000657448014 935788848 /nfs/dbraw/zinc/78/88/48/935788848.db2.gz VVIHSUYHVQJTOG-OAQYLSRUSA-N 2 2 363.505 3.857 20 0 FHADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511150679 935806907 /nfs/dbraw/zinc/80/69/07/935806907.db2.gz BCYSUWYLDQTGNU-OAQYLSRUSA-N 2 2 360.505 3.841 20 0 FHADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511150679 935806910 /nfs/dbraw/zinc/80/69/10/935806910.db2.gz BCYSUWYLDQTGNU-OAQYLSRUSA-N 2 2 360.505 3.841 20 0 FHADLP Cc1c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1-c1ccc(F)cc1 ZINC000152831728 935869370 /nfs/dbraw/zinc/86/93/70/935869370.db2.gz AGMKUEVVXWMHKD-OAHLLOKOSA-N 2 2 367.472 3.746 20 0 FHADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000091333510 935875140 /nfs/dbraw/zinc/87/51/40/935875140.db2.gz ZRBTZYRDCVFZDL-KZNAEPCWSA-N 2 2 354.416 3.609 20 0 FHADLP FC(F)(F)c1cccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000091333510 935875142 /nfs/dbraw/zinc/87/51/42/935875142.db2.gz ZRBTZYRDCVFZDL-KZNAEPCWSA-N 2 2 354.416 3.609 20 0 FHADLP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117746918 935986432 /nfs/dbraw/zinc/98/64/32/935986432.db2.gz XHXLYWJGPSWPKY-UHFFFAOYSA-N 2 2 362.477 3.644 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C[NH3+] ZINC000582727595 936003014 /nfs/dbraw/zinc/00/30/14/936003014.db2.gz LKOAVOYHXFZZFB-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C[NH3+] ZINC000582727595 936003016 /nfs/dbraw/zinc/00/30/16/936003016.db2.gz LKOAVOYHXFZZFB-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000106215093 945138926 /nfs/dbraw/zinc/13/89/26/945138926.db2.gz MKNBVIYFTUXFIF-ZWKOTPCHSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000106215093 945138929 /nfs/dbraw/zinc/13/89/29/945138929.db2.gz MKNBVIYFTUXFIF-ZWKOTPCHSA-N 2 2 354.498 3.726 20 0 FHADLP CO[C@@](C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)COCc1ccccc1 ZINC000657591383 936069369 /nfs/dbraw/zinc/06/93/69/936069369.db2.gz HARUDRQUKWVODI-FQEVSTJZSA-N 2 2 371.506 3.645 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1 ZINC000657648465 936151446 /nfs/dbraw/zinc/15/14/46/936151446.db2.gz LENKQMYZMDFZAA-ROUUACIJSA-N 2 2 368.506 3.802 20 0 FHADLP CC(C)c1ncc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000583719727 938373722 /nfs/dbraw/zinc/37/37/22/938373722.db2.gz ALRQFTNGRHKTSL-UHFFFAOYSA-N 2 2 372.582 3.516 20 0 FHADLP CC(C)c1ncc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000583719727 938373726 /nfs/dbraw/zinc/37/37/26/938373726.db2.gz ALRQFTNGRHKTSL-UHFFFAOYSA-N 2 2 372.582 3.516 20 0 FHADLP COc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507373558 945172587 /nfs/dbraw/zinc/17/25/87/945172587.db2.gz WOWKASRSNWTHTG-UHFFFAOYSA-N 2 2 355.320 3.762 20 0 FHADLP COc1ccc(Br)cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000507373558 945172589 /nfs/dbraw/zinc/17/25/89/945172589.db2.gz WOWKASRSNWTHTG-UHFFFAOYSA-N 2 2 355.320 3.762 20 0 FHADLP Cc1cccc2nc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC000583819386 938428826 /nfs/dbraw/zinc/42/88/26/938428826.db2.gz GNBKFQAHBYUOQQ-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC000583819386 938428828 /nfs/dbraw/zinc/42/88/28/938428828.db2.gz GNBKFQAHBYUOQQ-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC000583819386 938428831 /nfs/dbraw/zinc/42/88/31/938428831.db2.gz GNBKFQAHBYUOQQ-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn21 ZINC000583819386 938428833 /nfs/dbraw/zinc/42/88/33/938428833.db2.gz GNBKFQAHBYUOQQ-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000647315081 938492482 /nfs/dbraw/zinc/49/24/82/938492482.db2.gz GADPKFUHZKPDBP-UHFFFAOYSA-N 2 2 367.331 3.909 20 0 FHADLP c1cn(Cc2cccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)c2)c[nH+]1 ZINC000151304501 938525374 /nfs/dbraw/zinc/52/53/74/938525374.db2.gz WEEBADMEPMAJFR-UHFFFAOYSA-N 3 2 352.526 3.818 20 0 FHADLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000657814180 938528466 /nfs/dbraw/zinc/52/84/66/938528466.db2.gz ALAXOGLCSGFCDQ-VGSWGCGISA-N 2 2 356.485 3.544 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc([S@@](C)=O)cc1 ZINC000151340811 938529999 /nfs/dbraw/zinc/52/99/99/938529999.db2.gz OJJPJWOVIHQVDP-LMKMVOKYSA-N 2 2 353.491 3.520 20 0 FHADLP COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151364265 938531602 /nfs/dbraw/zinc/53/16/02/938531602.db2.gz HUWIQAUVDFLNMW-LJQANCHMSA-N 2 2 368.949 3.872 20 0 FHADLP CC(C)C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)n1cc[nH+]c1 ZINC000635452395 938578752 /nfs/dbraw/zinc/57/87/52/938578752.db2.gz FREPILWKNKNZEF-PKOBYXMFSA-N 2 2 374.554 3.560 20 0 FHADLP CC(C)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)n1cc[nH+]c1 ZINC000635452395 938578755 /nfs/dbraw/zinc/57/87/55/938578755.db2.gz FREPILWKNKNZEF-PKOBYXMFSA-N 2 2 374.554 3.560 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541683 945188908 /nfs/dbraw/zinc/18/89/08/945188908.db2.gz XNCPYKWMAKRBPF-QHCPKHFHSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541683 945188910 /nfs/dbraw/zinc/18/89/10/945188910.db2.gz XNCPYKWMAKRBPF-QHCPKHFHSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541683 945188913 /nfs/dbraw/zinc/18/89/13/945188913.db2.gz XNCPYKWMAKRBPF-QHCPKHFHSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541683 945188918 /nfs/dbraw/zinc/18/89/18/945188918.db2.gz XNCPYKWMAKRBPF-QHCPKHFHSA-N 2 2 358.489 3.728 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959624 938710252 /nfs/dbraw/zinc/71/02/52/938710252.db2.gz QMYQATUZWWCPCN-LZWOXQAQSA-N 2 2 360.889 3.508 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959624 938710254 /nfs/dbraw/zinc/71/02/54/938710254.db2.gz QMYQATUZWWCPCN-LZWOXQAQSA-N 2 2 360.889 3.508 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584382744 938790114 /nfs/dbraw/zinc/79/01/14/938790114.db2.gz JYKRXYGQSGNKFH-IBGZPJMESA-N 2 2 360.933 3.942 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584382744 938790115 /nfs/dbraw/zinc/79/01/15/938790115.db2.gz JYKRXYGQSGNKFH-IBGZPJMESA-N 2 2 360.933 3.942 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584382744 938790116 /nfs/dbraw/zinc/79/01/16/938790116.db2.gz JYKRXYGQSGNKFH-IBGZPJMESA-N 2 2 360.933 3.942 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000584382744 938790117 /nfs/dbraw/zinc/79/01/17/938790117.db2.gz JYKRXYGQSGNKFH-IBGZPJMESA-N 2 2 360.933 3.942 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634134 938800595 /nfs/dbraw/zinc/80/05/95/938800595.db2.gz BTNJKMVWAAGBHP-QGZVFWFLSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634134 938800597 /nfs/dbraw/zinc/80/05/97/938800597.db2.gz BTNJKMVWAAGBHP-QGZVFWFLSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634134 938800600 /nfs/dbraw/zinc/80/06/00/938800600.db2.gz BTNJKMVWAAGBHP-QGZVFWFLSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634134 938800603 /nfs/dbraw/zinc/80/06/03/938800603.db2.gz BTNJKMVWAAGBHP-QGZVFWFLSA-N 2 2 370.493 3.773 20 0 FHADLP c1csc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)c1 ZINC000278765656 938842517 /nfs/dbraw/zinc/84/25/17/938842517.db2.gz BWIPMWUEZJMUED-UHFFFAOYSA-N 2 2 369.494 3.711 20 0 FHADLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000089512797 938865104 /nfs/dbraw/zinc/86/51/04/938865104.db2.gz KDYHZVNXBCIDCQ-UHFFFAOYSA-N 3 2 361.549 3.685 20 0 FHADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1Cl ZINC000090079289 938875054 /nfs/dbraw/zinc/87/50/54/938875054.db2.gz USTKEZFCUPVITC-INIZCTEOSA-N 2 2 366.292 3.680 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1 ZINC000090115607 938876706 /nfs/dbraw/zinc/87/67/06/938876706.db2.gz VSZNJSLGSPHQSZ-UTKZUKDTSA-N 2 2 355.526 3.567 20 0 FHADLP CCc1ccc([C@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000090843781 938883357 /nfs/dbraw/zinc/88/33/57/938883357.db2.gz IVELCQPYWJCYRZ-QHCPKHFHSA-N 2 2 370.512 3.718 20 0 FHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742185 938929585 /nfs/dbraw/zinc/92/95/85/938929585.db2.gz GJLRZXCNHJQDCX-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742185 938929586 /nfs/dbraw/zinc/92/95/86/938929586.db2.gz GJLRZXCNHJQDCX-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742185 938929587 /nfs/dbraw/zinc/92/95/87/938929587.db2.gz GJLRZXCNHJQDCX-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000093742185 938929589 /nfs/dbraw/zinc/92/95/89/938929589.db2.gz GJLRZXCNHJQDCX-INIZCTEOSA-N 2 2 374.447 3.800 20 0 FHADLP Cn1nc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443019 938986896 /nfs/dbraw/zinc/98/68/96/938986896.db2.gz ILZPGPMBEDUPGJ-QHCPKHFHSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443019 938986897 /nfs/dbraw/zinc/98/68/97/938986897.db2.gz ILZPGPMBEDUPGJ-QHCPKHFHSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443019 938986898 /nfs/dbraw/zinc/98/68/98/938986898.db2.gz ILZPGPMBEDUPGJ-QHCPKHFHSA-N 2 2 360.505 3.671 20 0 FHADLP Cn1nc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c2ccccc21 ZINC000685443019 938986899 /nfs/dbraw/zinc/98/68/99/938986899.db2.gz ILZPGPMBEDUPGJ-QHCPKHFHSA-N 2 2 360.505 3.671 20 0 FHADLP COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC000685442992 938986914 /nfs/dbraw/zinc/98/69/14/938986914.db2.gz AAWHIGLVWZOFES-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC000685442992 938986915 /nfs/dbraw/zinc/98/69/15/938986915.db2.gz AAWHIGLVWZOFES-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1OC ZINC000685442992 938986916 /nfs/dbraw/zinc/98/69/16/938986916.db2.gz AAWHIGLVWZOFES-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1OC ZINC000685442992 938986917 /nfs/dbraw/zinc/98/69/17/938986917.db2.gz AAWHIGLVWZOFES-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP C[C@H]([NH2+]C1(C[NH2+]C2CC(CF)(CF)C2)CCOCC1)c1ccccc1 ZINC000657891381 938988247 /nfs/dbraw/zinc/98/82/47/938988247.db2.gz XCGDPSRWAMLLNN-INIZCTEOSA-N 2 2 352.469 3.564 20 0 FHADLP Fc1cccc(COc2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000685629693 939006340 /nfs/dbraw/zinc/00/63/40/939006340.db2.gz GGQAXBNOYAATHH-SFHVURJKSA-N 2 2 351.425 3.775 20 0 FHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658019969 939018994 /nfs/dbraw/zinc/01/89/94/939018994.db2.gz PWWJEOALNDGHQM-RDJZCZTQSA-N 2 2 362.315 3.886 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056003 939020867 /nfs/dbraw/zinc/02/08/67/939020867.db2.gz KBSIZOUWMZRIJZ-RDJZCZTQSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056003 939020868 /nfs/dbraw/zinc/02/08/68/939020868.db2.gz KBSIZOUWMZRIJZ-RDJZCZTQSA-N 2 2 365.949 3.539 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658122133 939032470 /nfs/dbraw/zinc/03/24/70/939032470.db2.gz SNZFRRKZMNREIQ-XLIONFOSSA-N 2 2 354.494 3.704 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000658122133 939032475 /nfs/dbraw/zinc/03/24/75/939032475.db2.gz SNZFRRKZMNREIQ-XLIONFOSSA-N 2 2 354.494 3.704 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000658122135 939032640 /nfs/dbraw/zinc/03/26/40/939032640.db2.gz SNZFRRKZMNREIQ-YLJYHZDGSA-N 2 2 354.494 3.704 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000658122135 939032643 /nfs/dbraw/zinc/03/26/43/939032643.db2.gz SNZFRRKZMNREIQ-YLJYHZDGSA-N 2 2 354.494 3.704 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC[N@@H+]1C ZINC000658189481 939061958 /nfs/dbraw/zinc/06/19/58/939061958.db2.gz UHCPGMXAANBJAQ-DIOULYMOSA-N 2 2 355.345 3.809 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC[N@H+]1C ZINC000658189481 939061964 /nfs/dbraw/zinc/06/19/64/939061964.db2.gz UHCPGMXAANBJAQ-DIOULYMOSA-N 2 2 355.345 3.809 20 0 FHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000658292243 939099681 /nfs/dbraw/zinc/09/96/81/939099681.db2.gz SHDBAAAJKLEGMX-GOEBONIOSA-N 2 2 354.441 3.500 20 0 FHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658294695 939101261 /nfs/dbraw/zinc/10/12/61/939101261.db2.gz OUUIJQBGJIETMS-ZWQKGKBNSA-N 2 2 372.553 3.806 20 0 FHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295620 939101692 /nfs/dbraw/zinc/10/16/92/939101692.db2.gz TWUJRVGPQZQJHR-NQIIRXRSSA-N 2 2 358.526 3.867 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318912 939110309 /nfs/dbraw/zinc/11/03/09/939110309.db2.gz UVNSPIFHXCXOBK-ICSRJNTNSA-N 2 2 352.526 3.681 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318912 939110311 /nfs/dbraw/zinc/11/03/11/939110311.db2.gz UVNSPIFHXCXOBK-ICSRJNTNSA-N 2 2 352.526 3.681 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000375794395 939897738 /nfs/dbraw/zinc/89/77/38/939897738.db2.gz LBKJJYIAKLPDJX-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@H+]2C)cn1 ZINC000375794395 939897740 /nfs/dbraw/zinc/89/77/40/939897740.db2.gz LBKJJYIAKLPDJX-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)[nH+]c1 ZINC000163451249 940052484 /nfs/dbraw/zinc/05/24/84/940052484.db2.gz ZNDNBOPQOMITGO-UHFFFAOYSA-N 3 2 356.558 3.746 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2ccc3ccccc3n2)CC1 ZINC000507519611 945299064 /nfs/dbraw/zinc/29/90/64/945299064.db2.gz JHKCVXFAAWVWRS-UHFFFAOYSA-N 2 2 351.416 3.784 20 0 FHADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000892510731 940237351 /nfs/dbraw/zinc/23/73/51/940237351.db2.gz SGXMCJXMUCNUBF-HZPDHXFCSA-N 2 2 374.554 3.561 20 0 FHADLP CC[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(F)c1 ZINC000507541119 945315305 /nfs/dbraw/zinc/31/53/05/945315305.db2.gz XRGASKGNYXNADR-MRXNPFEDSA-N 2 2 362.411 3.990 20 0 FHADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000414061156 940470090 /nfs/dbraw/zinc/47/00/90/940470090.db2.gz KDCYQPZQIMBKAC-CQSZACIVSA-N 2 2 361.511 3.621 20 0 FHADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000414061156 940470091 /nfs/dbraw/zinc/47/00/91/940470091.db2.gz KDCYQPZQIMBKAC-CQSZACIVSA-N 2 2 361.511 3.621 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000414084108 940489116 /nfs/dbraw/zinc/48/91/16/940489116.db2.gz XKEYCXWNVSZLPP-SFHVURJKSA-N 2 2 354.494 3.687 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428144 940978757 /nfs/dbraw/zinc/97/87/57/940978757.db2.gz NNBQHZHHWVSBTD-RYGJVYDSSA-N 2 2 355.457 3.545 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428144 940978761 /nfs/dbraw/zinc/97/87/61/940978761.db2.gz NNBQHZHHWVSBTD-RYGJVYDSSA-N 2 2 355.457 3.545 20 0 FHADLP CCc1ccccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278804443 941025616 /nfs/dbraw/zinc/02/56/16/941025616.db2.gz GCTFFBIFDLPGAM-UHFFFAOYSA-N 2 2 366.509 3.600 20 0 FHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000311253103 941151706 /nfs/dbraw/zinc/15/17/06/941151706.db2.gz HNYJBOKJOHIOAM-FGTMMUONSA-N 2 2 364.534 3.820 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256062 941152122 /nfs/dbraw/zinc/15/21/22/941152122.db2.gz YTDWIKRMRSOAMP-FCGDIQPGSA-N 2 2 365.562 3.629 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256062 941152123 /nfs/dbraw/zinc/15/21/23/941152123.db2.gz YTDWIKRMRSOAMP-FCGDIQPGSA-N 2 2 365.562 3.629 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000311249987 941152632 /nfs/dbraw/zinc/15/26/32/941152632.db2.gz SFHUYVRUFWWZLH-BBWFWOEESA-N 2 2 364.534 3.723 20 0 FHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C)[C@H](C)[NH3+] ZINC000415018348 941543124 /nfs/dbraw/zinc/54/31/24/941543124.db2.gz QTNSVDHXHKDWSO-STQMWFEESA-N 2 2 365.319 3.584 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000549167429 941575726 /nfs/dbraw/zinc/57/57/26/941575726.db2.gz VMPDYEJLHUNMNE-FQEVSTJZSA-N 2 2 370.493 3.847 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000549167429 941575732 /nfs/dbraw/zinc/57/57/32/941575732.db2.gz VMPDYEJLHUNMNE-FQEVSTJZSA-N 2 2 370.493 3.847 20 0 FHADLP Clc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079445 941588370 /nfs/dbraw/zinc/58/83/70/941588370.db2.gz HXCXQZAXUZHADV-AEFFLSMTSA-N 2 2 358.869 3.694 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc21 ZINC000549237537 941698647 /nfs/dbraw/zinc/69/86/47/941698647.db2.gz SEHFSWQEPRAPLV-MOPGFXCFSA-N 2 2 353.466 3.655 20 0 FHADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000729323250 941717392 /nfs/dbraw/zinc/71/73/92/941717392.db2.gz OPBBMTLBSGNMOY-OALUTQOASA-N 2 2 373.541 3.500 20 0 FHADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000261441436 941755882 /nfs/dbraw/zinc/75/58/82/941755882.db2.gz MWSMGWCYBZKTEO-HNNXBMFYSA-N 2 2 363.958 3.767 20 0 FHADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3sc4ccccc4c3Cl)CC2)C1 ZINC000261441436 941755885 /nfs/dbraw/zinc/75/58/85/941755885.db2.gz MWSMGWCYBZKTEO-HNNXBMFYSA-N 2 2 363.958 3.767 20 0 FHADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000377548363 941798922 /nfs/dbraw/zinc/79/89/22/941798922.db2.gz NDPZQGJZYOEMEB-KRWDZBQOSA-N 2 2 368.525 3.840 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)o1 ZINC000893021942 941899099 /nfs/dbraw/zinc/89/90/99/941899099.db2.gz XAKBFBPGJQBIJX-DNVCBOLYSA-N 2 2 364.511 3.539 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)o1 ZINC000893021942 941899103 /nfs/dbraw/zinc/89/91/03/941899103.db2.gz XAKBFBPGJQBIJX-DNVCBOLYSA-N 2 2 364.511 3.539 20 0 FHADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415595397 941934977 /nfs/dbraw/zinc/93/49/77/941934977.db2.gz KJBCTZBVNVBSBJ-IBGZPJMESA-N 2 2 369.513 3.724 20 0 FHADLP C[N@H+](CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)Cc1ccccc1 ZINC000513487557 941959282 /nfs/dbraw/zinc/95/92/82/941959282.db2.gz GQFZMHBGPUKRFB-QHCPKHFHSA-N 2 2 360.505 3.872 20 0 FHADLP C[N@@H+](CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1)Cc1ccccc1 ZINC000513487557 941959285 /nfs/dbraw/zinc/95/92/85/941959285.db2.gz GQFZMHBGPUKRFB-QHCPKHFHSA-N 2 2 360.505 3.872 20 0 FHADLP c1cn(Cc2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)c[nH+]1 ZINC000513510803 941982850 /nfs/dbraw/zinc/98/28/50/941982850.db2.gz GEKYHMUDAVRMKL-QHCPKHFHSA-N 2 2 369.472 3.795 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537525 941994522 /nfs/dbraw/zinc/99/45/22/941994522.db2.gz AHDJFWYOJOOFLD-VFNWGFHPSA-N 2 2 372.459 3.963 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000377860740 942043609 /nfs/dbraw/zinc/04/36/09/942043609.db2.gz LPCWKKCZHIWRPB-GOSISDBHSA-N 2 2 365.481 3.764 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000377860740 942043612 /nfs/dbraw/zinc/04/36/12/942043612.db2.gz LPCWKKCZHIWRPB-GOSISDBHSA-N 2 2 365.481 3.764 20 0 FHADLP Clc1ccc2[nH+]ccc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)c2c1 ZINC000513607865 942045733 /nfs/dbraw/zinc/04/57/33/942045733.db2.gz IFUYGAIQWPABKX-OAQYLSRUSA-N 2 2 367.880 3.796 20 0 FHADLP CCOc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000377907475 942064529 /nfs/dbraw/zinc/06/45/29/942064529.db2.gz IREAWKWZUKEIDM-UHFFFAOYSA-N 2 2 353.510 3.619 20 0 FHADLP CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000377907475 942064533 /nfs/dbraw/zinc/06/45/33/942064533.db2.gz IREAWKWZUKEIDM-UHFFFAOYSA-N 2 2 353.510 3.619 20 0 FHADLP COc1cc([C@@H](C)[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926736 942071776 /nfs/dbraw/zinc/07/17/76/942071776.db2.gz YCJFZZYWGSQUIJ-QGZVFWFLSA-N 2 2 371.500 3.929 20 0 FHADLP COc1cc([C@@H](C)[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926736 942071781 /nfs/dbraw/zinc/07/17/81/942071781.db2.gz YCJFZZYWGSQUIJ-QGZVFWFLSA-N 2 2 371.500 3.929 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000502007090 942165751 /nfs/dbraw/zinc/16/57/51/942165751.db2.gz DYLAEZVGBYOLIH-CTNGQTDRSA-N 2 2 368.525 3.622 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000502007090 942165757 /nfs/dbraw/zinc/16/57/57/942165757.db2.gz DYLAEZVGBYOLIH-CTNGQTDRSA-N 2 2 368.525 3.622 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502013045 942171948 /nfs/dbraw/zinc/17/19/48/942171948.db2.gz GFDDUTXEOKIVPD-VQTJNVASSA-N 2 2 356.514 3.524 20 0 FHADLP CCCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182092405 942204810 /nfs/dbraw/zinc/20/48/10/942204810.db2.gz DPHSTFKWZCMTSW-KRWDZBQOSA-N 2 2 357.498 3.672 20 0 FHADLP CCCOc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182092405 942204815 /nfs/dbraw/zinc/20/48/15/942204815.db2.gz DPHSTFKWZCMTSW-KRWDZBQOSA-N 2 2 357.498 3.672 20 0 FHADLP COc1ccc([C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420898773 942244565 /nfs/dbraw/zinc/24/45/65/942244565.db2.gz DPUNBJABPLLAFT-JOCHJYFZSA-N 2 2 366.505 3.517 20 0 FHADLP COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420898773 942244567 /nfs/dbraw/zinc/24/45/67/942244567.db2.gz DPUNBJABPLLAFT-JOCHJYFZSA-N 2 2 366.505 3.517 20 0 FHADLP Cc1ccc(C)n1C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420899843 942245366 /nfs/dbraw/zinc/24/53/66/942245366.db2.gz GQUWIICCYDSZDL-UHFFFAOYSA-N 2 2 367.537 3.774 20 0 FHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420921720 942255875 /nfs/dbraw/zinc/25/58/75/942255875.db2.gz MHUMRWPFMVYWAP-KRWDZBQOSA-N 2 2 356.432 3.682 20 0 FHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420921720 942255880 /nfs/dbraw/zinc/25/58/80/942255880.db2.gz MHUMRWPFMVYWAP-KRWDZBQOSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000420960232 942277040 /nfs/dbraw/zinc/27/70/40/942277040.db2.gz HKEMDURCFGWSEM-TWHAJKEOSA-N 2 2 350.506 3.812 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000420960232 942277043 /nfs/dbraw/zinc/27/70/43/942277043.db2.gz HKEMDURCFGWSEM-TWHAJKEOSA-N 2 2 350.506 3.812 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986435 942282581 /nfs/dbraw/zinc/28/25/81/942282581.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000420986435 942282583 /nfs/dbraw/zinc/28/25/83/942282583.db2.gz YKEDVWQOUGDSID-OAQYLSRUSA-N 2 2 365.512 3.908 20 0 FHADLP C[NH+](C)CCC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000501086465 942291786 /nfs/dbraw/zinc/29/17/86/942291786.db2.gz BJANRODJCUROFY-UHFFFAOYSA-N 2 2 361.274 3.891 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421047422 942316797 /nfs/dbraw/zinc/31/67/97/942316797.db2.gz YEQJTNKZADGNAD-KRWDZBQOSA-N 2 2 362.315 3.822 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000421047422 942316802 /nfs/dbraw/zinc/31/68/02/942316802.db2.gz YEQJTNKZADGNAD-KRWDZBQOSA-N 2 2 362.315 3.822 20 0 FHADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502318399 942350947 /nfs/dbraw/zinc/35/09/47/942350947.db2.gz OSLMHZDTTJDQRK-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502318399 942350952 /nfs/dbraw/zinc/35/09/52/942350952.db2.gz OSLMHZDTTJDQRK-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000502309043 942358288 /nfs/dbraw/zinc/35/82/88/942358288.db2.gz IJMSEQQMIBVFMK-MRXNPFEDSA-N 2 2 353.304 3.735 20 0 FHADLP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414822671 942422495 /nfs/dbraw/zinc/42/24/95/942422495.db2.gz FEGOBOPFHFWJEG-LJQANCHMSA-N 2 2 350.441 3.520 20 0 FHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501471533 942490877 /nfs/dbraw/zinc/49/08/77/942490877.db2.gz LFZOXGLHEGYJHD-OKACTXMXSA-N 2 2 356.432 3.809 20 0 FHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C/c1ccccc1C(F)(F)F ZINC000501471533 942490879 /nfs/dbraw/zinc/49/08/79/942490879.db2.gz LFZOXGLHEGYJHD-OKACTXMXSA-N 2 2 356.432 3.809 20 0 FHADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832218 942503213 /nfs/dbraw/zinc/50/32/13/942503213.db2.gz ODVADYSXRDYYKM-SJCJKPOMSA-N 2 2 351.263 3.809 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH+](C)C3CC(OC(C)(C)C)C3)sc2C1 ZINC000421368541 942518917 /nfs/dbraw/zinc/51/89/17/942518917.db2.gz GJVUHOSYQMWYIV-UHFFFAOYSA-N 2 2 351.560 3.688 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH+](C)C3CC(OC(C)(C)C)C3)sc2C1 ZINC000421368541 942518924 /nfs/dbraw/zinc/51/89/24/942518924.db2.gz GJVUHOSYQMWYIV-UHFFFAOYSA-N 2 2 351.560 3.688 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@H+](C)C3CC(OC(C)(C)C)C3)sc2C1 ZINC000421368541 942518929 /nfs/dbraw/zinc/51/89/29/942518929.db2.gz GJVUHOSYQMWYIV-UHFFFAOYSA-N 2 2 351.560 3.688 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@@H+](C)C3CC(OC(C)(C)C)C3)sc2C1 ZINC000421368541 942518934 /nfs/dbraw/zinc/51/89/34/942518934.db2.gz GJVUHOSYQMWYIV-UHFFFAOYSA-N 2 2 351.560 3.688 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c2c(n1)CCCC2 ZINC000893202465 942577214 /nfs/dbraw/zinc/57/72/14/942577214.db2.gz IQSPVNSXUPDZMA-SFHVURJKSA-N 2 2 364.537 3.979 20 0 FHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000893202401 942577259 /nfs/dbraw/zinc/57/72/59/942577259.db2.gz HPQJIXXZSOXPQE-QGZVFWFLSA-N 2 2 355.530 3.791 20 0 FHADLP CC(C)Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cn1 ZINC000893203263 942588116 /nfs/dbraw/zinc/58/81/16/942588116.db2.gz WLHZHOJLTGDFOS-GOSISDBHSA-N 2 2 352.526 3.990 20 0 FHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc2)c1 ZINC000420298632 942609752 /nfs/dbraw/zinc/60/97/52/942609752.db2.gz FLGVJMSJJQJSSV-NRFANRHFSA-N 2 2 355.482 3.689 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](c2ccccc2)C2(CO)CCCCC2)s1 ZINC000414527011 942638934 /nfs/dbraw/zinc/63/89/34/942638934.db2.gz MCRSVOOYYKCLTI-HXUWFJFHSA-N 2 2 373.566 3.978 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000420366410 942640815 /nfs/dbraw/zinc/64/08/15/942640815.db2.gz ULYSIBAKWAYXGF-YVEFUNNKSA-N 2 2 372.340 3.668 20 0 FHADLP c1cc(-c2noc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2)cs1 ZINC000278824800 942641702 /nfs/dbraw/zinc/64/17/02/942641702.db2.gz HWFHJDSEBMIBON-UHFFFAOYSA-N 2 2 369.494 3.711 20 0 FHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420386529 942649274 /nfs/dbraw/zinc/64/92/74/942649274.db2.gz GALJYUGTUAVHLG-LPHOPBHVSA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420386529 942649284 /nfs/dbraw/zinc/64/92/84/942649284.db2.gz GALJYUGTUAVHLG-LPHOPBHVSA-N 2 2 357.523 3.783 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000270217011 942658939 /nfs/dbraw/zinc/65/89/39/942658939.db2.gz MERQTSZWZHQFHF-UHFFFAOYSA-N 2 2 351.498 3.790 20 0 FHADLP CC(C)([NH3+])c1noc(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)n1 ZINC000420402224 942662034 /nfs/dbraw/zinc/66/20/34/942662034.db2.gz JWRSQQTZYYHJFT-CQSZACIVSA-N 2 2 354.376 3.523 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502733600 942702759 /nfs/dbraw/zinc/70/27/59/942702759.db2.gz XHKSXTWERSDCST-IBGZPJMESA-N 2 2 353.445 3.948 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502733600 942702764 /nfs/dbraw/zinc/70/27/64/942702764.db2.gz XHKSXTWERSDCST-IBGZPJMESA-N 2 2 353.445 3.948 20 0 FHADLP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414846665 942714939 /nfs/dbraw/zinc/71/49/39/942714939.db2.gz NTTZIMKRYKGTSK-IIBYNOLFSA-N 2 2 370.493 3.540 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868772 942815193 /nfs/dbraw/zinc/81/51/93/942815193.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868772 942815194 /nfs/dbraw/zinc/81/51/94/942815194.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000502868772 942815197 /nfs/dbraw/zinc/81/51/97/942815197.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000502868772 942815203 /nfs/dbraw/zinc/81/52/03/942815203.db2.gz JVMNWHHNGJDWEJ-HSZRJFAPSA-N 3 2 366.553 3.960 20 0 FHADLP Fc1ccc2nc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)oc2c1 ZINC000434679522 942850196 /nfs/dbraw/zinc/85/01/96/942850196.db2.gz CYXXHNJAJOLHJG-UHFFFAOYSA-N 2 2 354.429 3.879 20 0 FHADLP COC1([C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CCCC1 ZINC000421848884 942859315 /nfs/dbraw/zinc/85/93/15/942859315.db2.gz BAMJDVSDARKPAQ-QGZVFWFLSA-N 2 2 373.541 3.547 20 0 FHADLP COCC[N@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143505372 942924609 /nfs/dbraw/zinc/92/46/09/942924609.db2.gz FMHVISLAUZDGSL-UHFFFAOYSA-N 2 2 364.839 3.901 20 0 FHADLP COCC[N@@H+](Cc1ccc(Cl)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC001143505372 942924615 /nfs/dbraw/zinc/92/46/15/942924615.db2.gz FMHVISLAUZDGSL-UHFFFAOYSA-N 2 2 364.839 3.901 20 0 FHADLP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCCC[NH+]1CCCCC1 ZINC000425177866 942934331 /nfs/dbraw/zinc/93/43/31/942934331.db2.gz QMSDPIHXGUUDSW-FQEVSTJZSA-N 2 2 368.525 3.704 20 0 FHADLP C[N@H+](CCSc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434744459 942936855 /nfs/dbraw/zinc/93/68/55/942936855.db2.gz HCHSZIGWJVBKJK-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[N@@H+](CCSc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434744459 942936858 /nfs/dbraw/zinc/93/68/58/942936858.db2.gz HCHSZIGWJVBKJK-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434744459 942936863 /nfs/dbraw/zinc/93/68/63/942936863.db2.gz HCHSZIGWJVBKJK-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[NH+](CCSc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434744459 942936867 /nfs/dbraw/zinc/93/68/67/942936867.db2.gz HCHSZIGWJVBKJK-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCC[C@H](Oc4ccccc4)C3)sc2C1 ZINC000414566109 942958153 /nfs/dbraw/zinc/95/81/53/942958153.db2.gz WVDYLEOJTYYPMB-SFHVURJKSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH+]3CCC[C@H](Oc4ccccc4)C3)sc2C1 ZINC000414566109 942958156 /nfs/dbraw/zinc/95/81/56/942958156.db2.gz WVDYLEOJTYYPMB-SFHVURJKSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@H](Oc4ccccc4)C3)sc2C1 ZINC000414566109 942958158 /nfs/dbraw/zinc/95/81/58/942958158.db2.gz WVDYLEOJTYYPMB-SFHVURJKSA-N 2 2 371.550 3.953 20 0 FHADLP CC(C)[NH+]1CCc2nc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)sc2C1 ZINC000414566109 942958163 /nfs/dbraw/zinc/95/81/63/942958163.db2.gz WVDYLEOJTYYPMB-SFHVURJKSA-N 2 2 371.550 3.953 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CCC4(CCCCC4)O3)CCC[NH+]2C)cn1 ZINC000467202839 942984876 /nfs/dbraw/zinc/98/48/76/942984876.db2.gz UWTWNSLTYWCOFM-CEWLAPEOSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H]3CCC4(CCCCC4)O3)CCC[NH+]2C)cn1 ZINC000467202839 942984885 /nfs/dbraw/zinc/98/48/85/942984885.db2.gz UWTWNSLTYWCOFM-CEWLAPEOSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCC4(CCCCC4)O3)CCC[N@@H+]2C)cn1 ZINC000467202839 942984890 /nfs/dbraw/zinc/98/48/90/942984890.db2.gz UWTWNSLTYWCOFM-CEWLAPEOSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H]3CCC4(CCCCC4)O3)CCC[N@H+]2C)cn1 ZINC000467202839 942984899 /nfs/dbraw/zinc/98/48/99/942984899.db2.gz UWTWNSLTYWCOFM-CEWLAPEOSA-N 2 2 374.573 3.617 20 0 FHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218118 943002711 /nfs/dbraw/zinc/00/27/11/943002711.db2.gz XMDLWHGOUTYONY-VQTJNVASSA-N 2 2 368.525 3.558 20 0 FHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218118 943002712 /nfs/dbraw/zinc/00/27/12/943002712.db2.gz XMDLWHGOUTYONY-VQTJNVASSA-N 2 2 368.525 3.558 20 0 FHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000422218282 943059281 /nfs/dbraw/zinc/05/92/81/943059281.db2.gz XOFAYTRSERCMHI-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000422218282 943059285 /nfs/dbraw/zinc/05/92/85/943059285.db2.gz XOFAYTRSERCMHI-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP COc1ccc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000272187124 943109529 /nfs/dbraw/zinc/10/95/29/943109529.db2.gz GTMQAIXKMXPBAC-MRXNPFEDSA-N 2 2 354.498 3.794 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)nc1 ZINC000272295788 943131200 /nfs/dbraw/zinc/13/12/00/943131200.db2.gz QLRDLXJFJRZJSS-CQSZACIVSA-N 2 2 359.905 3.834 20 0 FHADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413851 943171324 /nfs/dbraw/zinc/17/13/24/943171324.db2.gz VEGIFHCANDFUBY-RBUKOAKNSA-N 2 2 374.573 3.730 20 0 FHADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413851 943171328 /nfs/dbraw/zinc/17/13/28/943171328.db2.gz VEGIFHCANDFUBY-RBUKOAKNSA-N 2 2 374.573 3.730 20 0 FHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136907 943213454 /nfs/dbraw/zinc/21/34/54/943213454.db2.gz XGDBBLFSCZIVPB-HSZRJFAPSA-N 2 2 364.537 3.753 20 0 FHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136907 943213460 /nfs/dbraw/zinc/21/34/60/943213460.db2.gz XGDBBLFSCZIVPB-HSZRJFAPSA-N 2 2 364.537 3.753 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136907 943213464 /nfs/dbraw/zinc/21/34/64/943213464.db2.gz XGDBBLFSCZIVPB-HSZRJFAPSA-N 2 2 364.537 3.753 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136907 943213467 /nfs/dbraw/zinc/21/34/67/943213467.db2.gz XGDBBLFSCZIVPB-HSZRJFAPSA-N 2 2 364.537 3.753 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000505629276 943240226 /nfs/dbraw/zinc/24/02/26/943240226.db2.gz HIAPTKPEWPZCPU-DYESRHJHSA-N 2 2 362.477 3.602 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000272994981 943257367 /nfs/dbraw/zinc/25/73/67/943257367.db2.gz ZUQPCATWSONBNG-OAHLLOKOSA-N 2 2 353.495 3.648 20 0 FHADLP COc1ccc([C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422743598 943268872 /nfs/dbraw/zinc/26/88/72/943268872.db2.gz ULOPRWVAVWCQSI-GOTSBHOMSA-N 2 2 365.521 3.747 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422835962 943300444 /nfs/dbraw/zinc/30/04/44/943300444.db2.gz QKJVVCAZKMWIQH-BHDDXSALSA-N 2 2 366.553 3.916 20 0 FHADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC[C@H]2CCCO2)c1 ZINC000422878312 943313685 /nfs/dbraw/zinc/31/36/85/943313685.db2.gz SQPOYNXFQODYON-VLCRHTCISA-N 2 2 368.521 3.601 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902192 943325064 /nfs/dbraw/zinc/32/50/64/943325064.db2.gz TZKNXWNCUWYCQF-YTFSRNRJSA-N 3 2 355.570 3.860 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906506 943327283 /nfs/dbraw/zinc/32/72/83/943327283.db2.gz KAVZTMZRNZRBCD-IAOVAPTHSA-N 2 2 357.523 3.926 20 0 FHADLP C[C@@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1c[nH+]ccc1N ZINC000422949770 943346725 /nfs/dbraw/zinc/34/67/25/943346725.db2.gz WIGRQNBKGRKABA-SECBINFHSA-N 2 2 372.213 3.709 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccc1OCCC(C)C ZINC000422949613 943346750 /nfs/dbraw/zinc/34/67/50/943346750.db2.gz UOWXDFMIDJHKIQ-AOIWGVFYSA-N 2 2 364.530 3.538 20 0 FHADLP O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425364132 943370547 /nfs/dbraw/zinc/37/05/47/943370547.db2.gz FMPQKWHMIDIKAJ-WOJBJXKFSA-N 2 2 353.853 3.834 20 0 FHADLP O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000425364132 943370554 /nfs/dbraw/zinc/37/05/54/943370554.db2.gz FMPQKWHMIDIKAJ-WOJBJXKFSA-N 2 2 353.853 3.834 20 0 FHADLP C[C@@H](NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032405 943372079 /nfs/dbraw/zinc/37/20/79/943372079.db2.gz MMHDHADIWZYJLI-ACJLOTCBSA-N 2 2 356.341 3.688 20 0 FHADLP Brc1ccc(Br)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000423057321 943376632 /nfs/dbraw/zinc/37/66/32/943376632.db2.gz ZHGMXRSMVLGHRF-FUNVUKJBSA-N 2 2 374.120 3.584 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423055791 943376750 /nfs/dbraw/zinc/37/67/50/943376750.db2.gz XDMOMVXTCJSSMR-LGKPFJOYSA-N 2 2 366.505 3.998 20 0 FHADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435394860 943380372 /nfs/dbraw/zinc/38/03/72/943380372.db2.gz PHMPAVXRELBYIX-SFHVURJKSA-N 2 2 359.901 3.888 20 0 FHADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000435394860 943380378 /nfs/dbraw/zinc/38/03/78/943380378.db2.gz PHMPAVXRELBYIX-SFHVURJKSA-N 2 2 359.901 3.888 20 0 FHADLP Cc1[nH+]c2cc(NCc3cc(-n4cc[nH+]c4)cs3)ccc2n1[C@@H](C)CO ZINC000514925780 943389386 /nfs/dbraw/zinc/38/93/86/943389386.db2.gz XFURWCABAUQWTD-ZDUSSCGKSA-N 2 2 367.478 3.757 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000584682018 943390393 /nfs/dbraw/zinc/39/03/93/943390393.db2.gz DQXREFOMLMPSGI-UHFFFAOYSA-N 2 2 373.497 3.601 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000423094540 943391734 /nfs/dbraw/zinc/39/17/34/943391734.db2.gz KJAPPTLWEFMYHW-BZNIZROVSA-N 2 2 354.281 3.540 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000423094539 943391847 /nfs/dbraw/zinc/39/18/47/943391847.db2.gz KJAPPTLWEFMYHW-BDJLRTHQSA-N 2 2 354.281 3.540 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423858 943403499 /nfs/dbraw/zinc/40/34/99/943403499.db2.gz WPBSNFCENCPFDK-SFHVURJKSA-N 2 2 358.917 3.701 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435423858 943403504 /nfs/dbraw/zinc/40/35/04/943403504.db2.gz WPBSNFCENCPFDK-SFHVURJKSA-N 2 2 358.917 3.701 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428350 943407183 /nfs/dbraw/zinc/40/71/83/943407183.db2.gz RWFPQVNHFBVZIX-ZGBFETHSSA-N 2 2 350.510 3.561 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435428350 943407185 /nfs/dbraw/zinc/40/71/85/943407185.db2.gz RWFPQVNHFBVZIX-ZGBFETHSSA-N 2 2 350.510 3.561 20 0 FHADLP COc1ccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000435428379 943407501 /nfs/dbraw/zinc/40/75/01/943407501.db2.gz QLPJOSVWTCQNJD-HNNXBMFYSA-N 2 2 365.930 3.725 20 0 FHADLP COc1ccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000435428379 943407503 /nfs/dbraw/zinc/40/75/03/943407503.db2.gz QLPJOSVWTCQNJD-HNNXBMFYSA-N 2 2 365.930 3.725 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435440986 943418480 /nfs/dbraw/zinc/41/84/80/943418480.db2.gz BYDNNLQPBXDILP-GOSISDBHSA-N 2 2 359.539 3.850 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(C)C)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435440986 943418485 /nfs/dbraw/zinc/41/84/85/943418485.db2.gz BYDNNLQPBXDILP-GOSISDBHSA-N 2 2 359.539 3.850 20 0 FHADLP COc1cc(OC)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000423185893 943434135 /nfs/dbraw/zinc/43/41/35/943434135.db2.gz KCJLCCWZQFTYIR-AWEZNQCLSA-N 2 2 363.889 3.583 20 0 FHADLP Clc1ccc2c(c1)[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCS2 ZINC000423239670 943444350 /nfs/dbraw/zinc/44/43/50/943444350.db2.gz WGPVBSUCPQMDGT-MRXNPFEDSA-N 2 2 360.914 3.794 20 0 FHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc12 ZINC000423229007 943452190 /nfs/dbraw/zinc/45/21/90/943452190.db2.gz GJAQBVVHTRHIAE-MRXNPFEDSA-N 2 2 362.477 3.826 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccccc2N(C)C)cc1 ZINC000423346048 943478684 /nfs/dbraw/zinc/47/86/84/943478684.db2.gz YHPHUVHSOGBWBJ-NDXORKPFSA-N 2 2 353.510 3.558 20 0 FHADLP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000423343527 943485774 /nfs/dbraw/zinc/48/57/74/943485774.db2.gz LXRYYGHXYZNJLF-SFHVURJKSA-N 2 2 352.482 3.603 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499300 943529693 /nfs/dbraw/zinc/52/96/93/943529693.db2.gz JJMSOIFURDWXCQ-FGZHOGPDSA-N 2 2 363.509 3.570 20 0 FHADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Cl ZINC000423493427 943536552 /nfs/dbraw/zinc/53/65/52/943536552.db2.gz QAMROJCFRRBDOA-DOMZBBRYSA-N 2 2 361.711 3.522 20 0 FHADLP CC(C)c1[nH+]c(CNc2ccc(NC(=O)C[NH+](C)C)cc2)c2ccccn21 ZINC000515188869 943544569 /nfs/dbraw/zinc/54/45/69/943544569.db2.gz XVTYKTKDJDQCJW-UHFFFAOYSA-N 2 2 365.481 3.570 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423520118 943544931 /nfs/dbraw/zinc/54/49/31/943544931.db2.gz PTEZKGLEROIULL-HZMBPMFUSA-N 2 2 370.337 3.753 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423813819 943625209 /nfs/dbraw/zinc/62/52/09/943625209.db2.gz FIGQMHNYCYDTBR-LPHOPBHVSA-N 2 2 371.550 3.680 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647934509 943749721 /nfs/dbraw/zinc/74/97/21/943749721.db2.gz HNFPAEPGTOEDKV-FVJLSDCUSA-N 2 2 367.493 3.865 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000647934509 943749723 /nfs/dbraw/zinc/74/97/23/943749723.db2.gz HNFPAEPGTOEDKV-FVJLSDCUSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc2ccccc21 ZINC000515329116 943791773 /nfs/dbraw/zinc/79/17/73/943791773.db2.gz CDBNEEHKXGETFY-INIZCTEOSA-N 2 2 362.477 3.620 20 0 FHADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)C[C@H]2C1 ZINC000424312152 943838493 /nfs/dbraw/zinc/83/84/93/943838493.db2.gz LWFOOZBHOXGKIT-XBJCXQGOSA-N 2 2 372.553 3.680 20 0 FHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000424336393 943850466 /nfs/dbraw/zinc/85/04/66/943850466.db2.gz QKPVTQLSYRWQAK-QZTJIDSGSA-N 2 2 373.884 3.930 20 0 FHADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C[C@H]2C1 ZINC000424347760 943876143 /nfs/dbraw/zinc/87/61/43/943876143.db2.gz LECOUGGCRVKXJY-DYPPIVEDSA-N 2 2 360.464 3.585 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000414876196 943915013 /nfs/dbraw/zinc/91/50/13/943915013.db2.gz CXUHNLFGPJLAOX-AZUAARDMSA-N 2 2 367.518 3.849 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000414877901 944003028 /nfs/dbraw/zinc/00/30/28/944003028.db2.gz GOCMVFRGQSNNIR-VWNXMTODSA-N 2 2 373.500 3.993 20 0 FHADLP CCC([NH3+])(CC)CNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414803001 944018590 /nfs/dbraw/zinc/01/85/90/944018590.db2.gz CHXPYLWENFEYPA-UHFFFAOYSA-N 2 2 368.363 3.521 20 0 FHADLP COC(=O)[C@@H](CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000425463208 944029160 /nfs/dbraw/zinc/02/91/60/944029160.db2.gz VTPUHVHQNBPSGQ-UWJYYQICSA-N 2 2 363.461 3.870 20 0 FHADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)CC1(C)C ZINC000709308493 944067874 /nfs/dbraw/zinc/06/78/74/944067874.db2.gz QRMWVJGPMABNFZ-KRWDZBQOSA-N 2 2 353.551 3.630 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000436251773 944145571 /nfs/dbraw/zinc/14/55/71/944145571.db2.gz JZJYCYFITPJPQG-LJQANCHMSA-N 2 2 352.507 3.892 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000436251773 944145574 /nfs/dbraw/zinc/14/55/74/944145574.db2.gz JZJYCYFITPJPQG-LJQANCHMSA-N 2 2 352.507 3.892 20 0 FHADLP c1ccc([C@H]2CC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000436273553 944170975 /nfs/dbraw/zinc/17/09/75/944170975.db2.gz VVVOECDYZIPWNG-GOTSBHOMSA-N 2 2 350.506 3.945 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000437866277 944183536 /nfs/dbraw/zinc/18/35/36/944183536.db2.gz GYZONDZZMQOGAM-SJLPKXTDSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000437866277 944183541 /nfs/dbraw/zinc/18/35/41/944183541.db2.gz GYZONDZZMQOGAM-SJLPKXTDSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)CC2 ZINC000437866277 944183543 /nfs/dbraw/zinc/18/35/43/944183543.db2.gz GYZONDZZMQOGAM-SJLPKXTDSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000437866277 944183546 /nfs/dbraw/zinc/18/35/46/944183546.db2.gz GYZONDZZMQOGAM-SJLPKXTDSA-N 2 2 372.557 3.551 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414883000 944247556 /nfs/dbraw/zinc/24/75/56/944247556.db2.gz MMVBICKJNTVOKG-RBUKOAKNSA-N 2 2 362.420 3.532 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287512 /nfs/dbraw/zinc/28/75/12/944287512.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287518 /nfs/dbraw/zinc/28/75/18/944287518.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287526 /nfs/dbraw/zinc/28/75/26/944287526.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 2 363.590 3.752 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506475101 944287535 /nfs/dbraw/zinc/28/75/35/944287535.db2.gz SFNWXMYQYQWEOZ-UWHLTILDSA-N 2 2 363.590 3.752 20 0 FHADLP FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000438074980 944316629 /nfs/dbraw/zinc/31/66/29/944316629.db2.gz QYVJCONHOQPGOI-ZWKOTPCHSA-N 2 2 369.475 3.909 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000390521203 944370261 /nfs/dbraw/zinc/37/02/61/944370261.db2.gz BMUZKMKAUDRTOW-HXUWFJFHSA-N 2 2 352.478 3.806 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000390521203 944370270 /nfs/dbraw/zinc/37/02/70/944370270.db2.gz BMUZKMKAUDRTOW-HXUWFJFHSA-N 2 2 352.478 3.806 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CO2 ZINC000517537432 944383069 /nfs/dbraw/zinc/38/30/69/944383069.db2.gz WVRVOBAWKCPSDT-IRXDYDNUSA-N 2 2 353.293 3.986 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CO2 ZINC000517537432 944383076 /nfs/dbraw/zinc/38/30/76/944383076.db2.gz WVRVOBAWKCPSDT-IRXDYDNUSA-N 2 2 353.293 3.986 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299915 944410343 /nfs/dbraw/zinc/41/03/43/944410343.db2.gz ZUEVWPKMPZLVDU-SLFFLAALSA-N 2 2 353.510 3.936 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000426299915 944410354 /nfs/dbraw/zinc/41/03/54/944410354.db2.gz ZUEVWPKMPZLVDU-SLFFLAALSA-N 2 2 353.510 3.936 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000518510127 944454306 /nfs/dbraw/zinc/45/43/06/944454306.db2.gz HWAAOBSODIHQOS-GOSISDBHSA-N 2 2 367.415 3.706 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390568410 944485283 /nfs/dbraw/zinc/48/52/83/944485283.db2.gz BCJSHTSMQMEDAF-IBGZPJMESA-N 2 2 374.912 3.729 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390568410 944485288 /nfs/dbraw/zinc/48/52/88/944485288.db2.gz BCJSHTSMQMEDAF-IBGZPJMESA-N 2 2 374.912 3.729 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc(N2CCCC2)n1 ZINC000426340809 944493634 /nfs/dbraw/zinc/49/36/34/944493634.db2.gz WBCBIWJWYWAPDP-DYESRHJHSA-N 2 2 371.573 3.518 20 0 FHADLP COc1ccc2nc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)sc2c1 ZINC000516116853 944500809 /nfs/dbraw/zinc/50/08/09/944500809.db2.gz WYHWCWJKTUYLJP-UHFFFAOYSA-N 2 2 364.474 3.840 20 0 FHADLP CC(C)(C)OC(=O)N(CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C(C)(C)C ZINC000311302550 944613226 /nfs/dbraw/zinc/61/32/26/944613226.db2.gz RSJUDVQVQQGWRI-INIZCTEOSA-N 2 2 366.550 3.923 20 0 FHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000608070823 944637063 /nfs/dbraw/zinc/63/70/63/944637063.db2.gz KEULVFWMPMBXHV-UHFFFAOYSA-N 2 2 365.855 3.660 20 0 FHADLP CCCC[C@H](CC)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270133781 944719624 /nfs/dbraw/zinc/71/96/24/944719624.db2.gz YUQHPPJZSRSBQS-TYPHKJRUSA-N 2 2 360.546 3.651 20 0 FHADLP Cn1ccc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC000518772851 944731440 /nfs/dbraw/zinc/73/14/40/944731440.db2.gz IZTCCMRIFWSELI-UHFFFAOYSA-N 2 2 357.461 3.622 20 0 FHADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390704576 944751920 /nfs/dbraw/zinc/75/19/20/944751920.db2.gz URZWCKKEFPYLNJ-AVRDEDQJSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390704576 944751927 /nfs/dbraw/zinc/75/19/27/944751927.db2.gz URZWCKKEFPYLNJ-AVRDEDQJSA-N 2 2 354.469 3.694 20 0 FHADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000439568635 944770301 /nfs/dbraw/zinc/77/03/01/944770301.db2.gz JACNDEKXIMYOCN-UHFFFAOYSA-N 2 2 373.884 3.624 20 0 FHADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000439568635 944770313 /nfs/dbraw/zinc/77/03/13/944770313.db2.gz JACNDEKXIMYOCN-UHFFFAOYSA-N 2 2 373.884 3.624 20 0 FHADLP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000195198411 944825089 /nfs/dbraw/zinc/82/50/89/944825089.db2.gz XSYCIWQPMRTDOC-FQEVSTJZSA-N 2 2 362.518 3.510 20 0 FHADLP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425677012 944919007 /nfs/dbraw/zinc/91/90/07/944919007.db2.gz UGMZYSMFAYQQLJ-UHFFFAOYSA-N 2 2 369.513 3.690 20 0 FHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccncc2)CC1 ZINC000506326390 944929448 /nfs/dbraw/zinc/92/94/48/944929448.db2.gz MLWIHKAGZWNYLW-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccncc2)CC1 ZINC000506326390 944929454 /nfs/dbraw/zinc/92/94/54/944929454.db2.gz MLWIHKAGZWNYLW-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414945534 944976044 /nfs/dbraw/zinc/97/60/44/944976044.db2.gz RUHDEPJTXNRLFS-UWJYYQICSA-N 2 2 353.510 3.610 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1F ZINC000414945686 944977895 /nfs/dbraw/zinc/97/78/95/944977895.db2.gz IRFCUFGJGWDZKS-DYESRHJHSA-N 2 2 353.416 3.748 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1F ZINC000414945690 944978614 /nfs/dbraw/zinc/97/86/14/944978614.db2.gz IRFCUFGJGWDZKS-UTKZUKDTSA-N 2 2 353.416 3.748 20 0 FHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccccn2)CC1 ZINC000506337753 944983863 /nfs/dbraw/zinc/98/38/63/944983863.db2.gz CHXNSOIDKCBYCH-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccccn2)CC1 ZINC000506337753 944983867 /nfs/dbraw/zinc/98/38/67/944983867.db2.gz CHXNSOIDKCBYCH-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414949303 945007331 /nfs/dbraw/zinc/00/73/31/945007331.db2.gz ZTHIKZXUFCGEMS-XHDPSFHLSA-N 2 2 366.328 3.660 20 0 FHADLP Fc1cc(-c2ccccc2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000507626933 945389739 /nfs/dbraw/zinc/38/97/39/945389739.db2.gz UUVCJEJGYBBTOZ-UHFFFAOYSA-N 2 2 367.512 3.706 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000281029802 945502287 /nfs/dbraw/zinc/50/22/87/945502287.db2.gz PBNNWLPJPJUOPF-OPAMFIHVSA-N 2 2 351.494 3.980 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415041045 945511042 /nfs/dbraw/zinc/51/10/42/945511042.db2.gz KTFVEQHUROGASG-RDJZCZTQSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415041045 945511046 /nfs/dbraw/zinc/51/10/46/945511046.db2.gz KTFVEQHUROGASG-RDJZCZTQSA-N 2 2 352.906 3.711 20 0 FHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000281408081 945625308 /nfs/dbraw/zinc/62/53/08/945625308.db2.gz ZDAPCJXKGBPMDU-FQEVSTJZSA-N 2 2 351.425 3.856 20 0 FHADLP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651691699 945701738 /nfs/dbraw/zinc/70/17/38/945701738.db2.gz DGWUJSKIZNDZFI-GOSISDBHSA-N 2 2 372.484 3.845 20 0 FHADLP COc1cc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651691699 945701743 /nfs/dbraw/zinc/70/17/43/945701743.db2.gz DGWUJSKIZNDZFI-GOSISDBHSA-N 2 2 372.484 3.845 20 0 FHADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000444002976 945710098 /nfs/dbraw/zinc/71/00/98/945710098.db2.gz QMVNNQPCNVCCOK-CTNGQTDRSA-N 2 2 358.913 3.621 20 0 FHADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000444002976 945710109 /nfs/dbraw/zinc/71/01/09/945710109.db2.gz QMVNNQPCNVCCOK-CTNGQTDRSA-N 2 2 358.913 3.621 20 0 FHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000111242968 945866251 /nfs/dbraw/zinc/86/62/51/945866251.db2.gz BILQFAQEPYNMMS-QFIPXVFZSA-N 2 2 366.509 3.568 20 0 FHADLP COc1cccc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000111304791 945901728 /nfs/dbraw/zinc/90/17/28/945901728.db2.gz FNMRWUWGLYFYKR-UHFFFAOYSA-N 2 2 362.477 3.957 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263461 945916474 /nfs/dbraw/zinc/91/64/74/945916474.db2.gz JTJOTNNGZRKLBE-ROQCDXFCSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263461 945916479 /nfs/dbraw/zinc/91/64/79/945916479.db2.gz JTJOTNNGZRKLBE-ROQCDXFCSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263461 945916486 /nfs/dbraw/zinc/91/64/86/945916486.db2.gz JTJOTNNGZRKLBE-ROQCDXFCSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263461 945916489 /nfs/dbraw/zinc/91/64/89/945916489.db2.gz JTJOTNNGZRKLBE-ROQCDXFCSA-N 2 2 363.505 3.894 20 0 FHADLP Cc1cc(Cl)cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000550110729 945923528 /nfs/dbraw/zinc/92/35/28/945923528.db2.gz QHHDVLGRNVMGIB-UHFFFAOYSA-N 2 2 374.912 3.649 20 0 FHADLP c1cc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cs1 ZINC000281924913 945940785 /nfs/dbraw/zinc/94/07/85/945940785.db2.gz CYNJGLPNPNONIL-AWEZNQCLSA-N 2 2 369.494 3.711 20 0 FHADLP c1cc(-c2noc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2)cs1 ZINC000281924913 945940788 /nfs/dbraw/zinc/94/07/88/945940788.db2.gz CYNJGLPNPNONIL-AWEZNQCLSA-N 2 2 369.494 3.711 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647259 945941231 /nfs/dbraw/zinc/94/12/31/945941231.db2.gz JICGKRFQKRRNGG-UNMCSNQZSA-N 3 2 358.574 3.538 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647259 945941234 /nfs/dbraw/zinc/94/12/34/945941234.db2.gz JICGKRFQKRRNGG-UNMCSNQZSA-N 3 2 358.574 3.538 20 0 FHADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)CC1 ZINC000301778680 945960998 /nfs/dbraw/zinc/96/09/98/945960998.db2.gz QHALOCJGEBUOJY-UHFFFAOYSA-N 2 2 357.546 3.922 20 0 FHADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)CC1 ZINC000301778680 945961008 /nfs/dbraw/zinc/96/10/08/945961008.db2.gz QHALOCJGEBUOJY-UHFFFAOYSA-N 2 2 357.546 3.922 20 0 FHADLP CC[N@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301834784 945994148 /nfs/dbraw/zinc/99/41/48/945994148.db2.gz KPBMHARMGUAUSS-UHFFFAOYSA-N 2 2 352.486 3.645 20 0 FHADLP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3C(C)(C)C)c1 ZINC000301834784 945994155 /nfs/dbraw/zinc/99/41/55/945994155.db2.gz KPBMHARMGUAUSS-UHFFFAOYSA-N 2 2 352.486 3.645 20 0 FHADLP C[C@H]([NH2+]C1(CNc2[nH]c3ccccc3[nH+]2)CCOCC1)c1ccccc1 ZINC000301866778 946010929 /nfs/dbraw/zinc/01/09/29/946010929.db2.gz HMOHDUOLEVIADR-INIZCTEOSA-N 2 2 350.466 3.875 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189206 946052616 /nfs/dbraw/zinc/05/26/16/946052616.db2.gz FQGUBUGISKTQBL-ZVDOUQERSA-N 2 2 371.569 3.623 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189206 946052627 /nfs/dbraw/zinc/05/26/27/946052627.db2.gz FQGUBUGISKTQBL-ZVDOUQERSA-N 2 2 371.569 3.623 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444212875 946081216 /nfs/dbraw/zinc/08/12/16/946081216.db2.gz NQOJOCURGGFQSJ-KRWDZBQOSA-N 2 2 370.493 3.917 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444212875 946081236 /nfs/dbraw/zinc/08/12/36/946081236.db2.gz NQOJOCURGGFQSJ-KRWDZBQOSA-N 2 2 370.493 3.917 20 0 FHADLP COc1cc2[nH+]ccc(N3CCc4c([nH+]c(C(C)C)n4C)C3)c2cc1OC ZINC000665700103 946160027 /nfs/dbraw/zinc/16/00/27/946160027.db2.gz YCMLEIGEMGCTFQ-UHFFFAOYSA-N 2 2 366.465 3.672 20 0 FHADLP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(OC)c1 ZINC000661471525 946163259 /nfs/dbraw/zinc/16/32/59/946163259.db2.gz YBEJMDLEEKPXJQ-NRFANRHFSA-N 2 2 351.450 3.667 20 0 FHADLP CC(C)Oc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000520208780 946270725 /nfs/dbraw/zinc/27/07/25/946270725.db2.gz KLAVFEMANHSCGZ-UHFFFAOYSA-N 2 2 367.537 3.776 20 0 FHADLP C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000520217373 946283080 /nfs/dbraw/zinc/28/30/80/946283080.db2.gz XHLBKBGYEMFFTL-CAPFRKAQSA-N 2 2 366.505 3.591 20 0 FHADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141988267 946436313 /nfs/dbraw/zinc/43/63/13/946436313.db2.gz OELWUUYCLZFMBB-FQEVSTJZSA-N 2 2 369.509 3.725 20 0 FHADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141988267 946436317 /nfs/dbraw/zinc/43/63/17/946436317.db2.gz OELWUUYCLZFMBB-FQEVSTJZSA-N 2 2 369.509 3.725 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417329486 946579446 /nfs/dbraw/zinc/57/94/46/946579446.db2.gz UCOKIGQHUVNHNW-LSTHTHJFSA-N 2 2 356.535 3.862 20 0 FHADLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(-c2ccccc2)cc1OC ZINC000067500476 946681221 /nfs/dbraw/zinc/68/12/21/946681221.db2.gz LADRYKOPCWTHKL-QGZVFWFLSA-N 2 2 365.477 3.993 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500657 946686405 /nfs/dbraw/zinc/68/64/05/946686405.db2.gz IKROZGLRJUVNJT-OAHLLOKOSA-N 2 2 357.889 3.516 20 0 FHADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168074949 946771370 /nfs/dbraw/zinc/77/13/70/946771370.db2.gz MABMDSQQBQXJCF-KBXCAEBGSA-N 2 2 356.432 3.827 20 0 FHADLP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(OC(C)(C)C)c1 ZINC000655720707 946786607 /nfs/dbraw/zinc/78/66/07/946786607.db2.gz DIPBYHDQWFYUCN-HXUWFJFHSA-N 2 2 360.542 3.905 20 0 FHADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2c1 ZINC000475269006 946802372 /nfs/dbraw/zinc/80/23/72/946802372.db2.gz LYBQJNBZDAWZSG-KRWDZBQOSA-N 2 2 367.518 3.917 20 0 FHADLP COc1ccc2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2c1 ZINC000475269006 946802384 /nfs/dbraw/zinc/80/23/84/946802384.db2.gz LYBQJNBZDAWZSG-KRWDZBQOSA-N 2 2 367.518 3.917 20 0 FHADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288826 946828024 /nfs/dbraw/zinc/82/80/24/946828024.db2.gz URQOMMPYHKEORU-AEFFLSMTSA-N 2 2 355.551 3.880 20 0 FHADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288826 946828027 /nfs/dbraw/zinc/82/80/27/946828027.db2.gz URQOMMPYHKEORU-AEFFLSMTSA-N 2 2 355.551 3.880 20 0 FHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 ZINC000652352336 946902804 /nfs/dbraw/zinc/90/28/04/946902804.db2.gz GYBAMKWDXWIGTA-WEYGHZABSA-N 2 2 367.468 3.566 20 0 FHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C2 ZINC000652352336 946902809 /nfs/dbraw/zinc/90/28/09/946902809.db2.gz GYBAMKWDXWIGTA-WEYGHZABSA-N 2 2 367.468 3.566 20 0 FHADLP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123885648 946915751 /nfs/dbraw/zinc/91/57/51/946915751.db2.gz SGHHZMAEBMYJML-XLIONFOSSA-N 2 2 366.509 3.704 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)CC1 ZINC000475333111 946916397 /nfs/dbraw/zinc/91/63/97/946916397.db2.gz SAXMNMZXYAAJEI-XTVVNEHGSA-N 2 2 374.491 3.977 20 0 FHADLP CN(C)c1ccccc1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475351201 946925040 /nfs/dbraw/zinc/92/50/40/946925040.db2.gz LDSJOZGDUUGKKN-UHFFFAOYSA-N 2 2 355.448 3.648 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000048684195 946944507 /nfs/dbraw/zinc/94/45/07/946944507.db2.gz JSZRWNZVGRVDAE-UHFFFAOYSA-N 2 2 362.468 3.730 20 0 FHADLP CCCC[C@H](CCC)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825259220 947133777 /nfs/dbraw/zinc/13/37/77/947133777.db2.gz HBFKHWQZBXLFKK-IBGZPJMESA-N 2 2 370.545 3.780 20 0 FHADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301242443 947247890 /nfs/dbraw/zinc/24/78/90/947247890.db2.gz MXRLSSFIPKJKRJ-UHFFFAOYSA-N 2 2 353.514 3.919 20 0 FHADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000301242443 947247900 /nfs/dbraw/zinc/24/79/00/947247900.db2.gz MXRLSSFIPKJKRJ-UHFFFAOYSA-N 2 2 353.514 3.919 20 0 FHADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301242443 947247907 /nfs/dbraw/zinc/24/79/07/947247907.db2.gz MXRLSSFIPKJKRJ-UHFFFAOYSA-N 2 2 353.514 3.919 20 0 FHADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000301242443 947247917 /nfs/dbraw/zinc/24/79/17/947247917.db2.gz MXRLSSFIPKJKRJ-UHFFFAOYSA-N 2 2 353.514 3.919 20 0 FHADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248516212 947292720 /nfs/dbraw/zinc/29/27/20/947292720.db2.gz OQOUILHEYMWEJV-VXGBXAGGSA-N 2 2 359.283 3.676 20 0 FHADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000248516212 947292728 /nfs/dbraw/zinc/29/27/28/947292728.db2.gz OQOUILHEYMWEJV-VXGBXAGGSA-N 2 2 359.283 3.676 20 0 FHADLP Fc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1Cl ZINC000662256979 947675558 /nfs/dbraw/zinc/67/55/58/947675558.db2.gz KXCSNCMPIDXRSH-FQEVSTJZSA-N 2 2 360.860 3.698 20 0 FHADLP Fc1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1Cl ZINC000662256979 947675563 /nfs/dbraw/zinc/67/55/63/947675563.db2.gz KXCSNCMPIDXRSH-FQEVSTJZSA-N 2 2 360.860 3.698 20 0 FHADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+](C)C ZINC000128541187 947707369 /nfs/dbraw/zinc/70/73/69/947707369.db2.gz NMFRCLALNOBYMX-LSDHHAIUSA-N 2 2 373.463 3.988 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309804 947739924 /nfs/dbraw/zinc/73/99/24/947739924.db2.gz DTNYYHPKLYSMQE-WIYYLYMNSA-N 2 2 372.484 3.729 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309804 947739926 /nfs/dbraw/zinc/73/99/26/947739926.db2.gz DTNYYHPKLYSMQE-WIYYLYMNSA-N 2 2 372.484 3.729 20 0 FHADLP C[C@H](c1ccccc1Br)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320450 947748631 /nfs/dbraw/zinc/74/86/31/947748631.db2.gz BSSCKZXPVBZAPN-HUUCEWRRSA-N 2 2 355.320 3.553 20 0 FHADLP C[C@H](c1ccccc1Br)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320450 947748643 /nfs/dbraw/zinc/74/86/43/947748643.db2.gz BSSCKZXPVBZAPN-HUUCEWRRSA-N 2 2 355.320 3.553 20 0 FHADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319520 947748713 /nfs/dbraw/zinc/74/87/13/947748713.db2.gz JNILZGDQEJVKLT-MSOLQXFVSA-N 2 2 369.347 3.943 20 0 FHADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319520 947748717 /nfs/dbraw/zinc/74/87/17/947748717.db2.gz JNILZGDQEJVKLT-MSOLQXFVSA-N 2 2 369.347 3.943 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)n2)CC1 ZINC000662364589 947762848 /nfs/dbraw/zinc/76/28/48/947762848.db2.gz ITSCVUAVMPHVOZ-SFHVURJKSA-N 2 2 370.522 3.548 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000441484659 947946544 /nfs/dbraw/zinc/94/65/44/947946544.db2.gz ZCDCEFFOGVHSRA-TZIWHRDSSA-N 2 2 368.525 3.622 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cccc2c1C[NH2+]C2 ZINC000662692192 947983296 /nfs/dbraw/zinc/98/32/96/947983296.db2.gz NLUVRHBIGJFAJP-UHFFFAOYSA-N 2 2 358.445 3.742 20 0 FHADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3[nH+]ccc4c(N)cccc43)c2)CCO1 ZINC000663425607 948006678 /nfs/dbraw/zinc/00/66/78/948006678.db2.gz CRGXQVNWGFJKAX-MRXNPFEDSA-N 2 2 362.477 3.650 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3[nH+]ccc4c(N)cccc43)c2)CCO1 ZINC000663425607 948006685 /nfs/dbraw/zinc/00/66/85/948006685.db2.gz CRGXQVNWGFJKAX-MRXNPFEDSA-N 2 2 362.477 3.650 20 0 FHADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466240 948050118 /nfs/dbraw/zinc/05/01/18/948050118.db2.gz PWLJWZWBBNWHQE-QAPCUYQASA-N 2 2 354.897 3.878 20 0 FHADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466240 948050125 /nfs/dbraw/zinc/05/01/25/948050125.db2.gz PWLJWZWBBNWHQE-QAPCUYQASA-N 2 2 354.897 3.878 20 0 FHADLP COc1cc2cc[nH+]c(N3CCCC[C@@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000663577447 948237604 /nfs/dbraw/zinc/23/76/04/948237604.db2.gz OKWLEQJIHMQPNZ-QGZVFWFLSA-N 2 2 355.482 3.707 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)s1 ZINC000432371489 948247969 /nfs/dbraw/zinc/24/79/69/948247969.db2.gz ZNJXDZUUBQSTHL-QWHCGFSZSA-N 2 2 361.349 3.662 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)s1 ZINC000432371489 948247976 /nfs/dbraw/zinc/24/79/76/948247976.db2.gz ZNJXDZUUBQSTHL-QWHCGFSZSA-N 2 2 361.349 3.662 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000237184679 948253849 /nfs/dbraw/zinc/25/38/49/948253849.db2.gz SFHHLDJWSWPXRS-QGZVFWFLSA-N 2 2 360.933 3.882 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000237184679 948253858 /nfs/dbraw/zinc/25/38/58/948253858.db2.gz SFHHLDJWSWPXRS-QGZVFWFLSA-N 2 2 360.933 3.882 20 0 FHADLP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045628 948295856 /nfs/dbraw/zinc/29/58/56/948295856.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 3 2 372.582 3.595 20 0 FHADLP C[C@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045628 948295864 /nfs/dbraw/zinc/29/58/64/948295864.db2.gz NUMPEZXBHRXQRQ-PKOBYXMFSA-N 3 2 372.582 3.595 20 0 FHADLP Cc1cc(Cl)ccc1OCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512088661 948392292 /nfs/dbraw/zinc/39/22/92/948392292.db2.gz OYDNHMKQPJPPQB-UHFFFAOYSA-N 2 2 353.919 3.725 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069872 948493731 /nfs/dbraw/zinc/49/37/31/948493731.db2.gz BYVPSUYOBIYOFY-CVEARBPZSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069872 948493732 /nfs/dbraw/zinc/49/37/32/948493732.db2.gz BYVPSUYOBIYOFY-CVEARBPZSA-N 2 2 370.324 3.929 20 0 FHADLP Cc1ccc2nc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665400 948542698 /nfs/dbraw/zinc/54/26/98/948542698.db2.gz KJNMFTUWFZPESN-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665400 948542703 /nfs/dbraw/zinc/54/27/03/948542703.db2.gz KJNMFTUWFZPESN-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665400 948542706 /nfs/dbraw/zinc/54/27/06/948542706.db2.gz KJNMFTUWFZPESN-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665400 948542709 /nfs/dbraw/zinc/54/27/09/948542709.db2.gz KJNMFTUWFZPESN-SFTDATJTSA-N 2 2 360.505 3.597 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2OCCCCO)c2cccc[nH+]2)CC1 ZINC000895112810 948708203 /nfs/dbraw/zinc/70/82/03/948708203.db2.gz FBORMLMOUHUADM-MXVIHJGJSA-N 2 2 369.509 3.509 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cccnc2Br)c2cccc[nH+]2)CC1 ZINC000895116014 948714185 /nfs/dbraw/zinc/71/41/85/948714185.db2.gz QPFCQZPWGRQXPY-SHTZXODSSA-N 2 2 361.287 3.516 20 0 FHADLP CCc1cccc(NC(=O)C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000434513332 948801214 /nfs/dbraw/zinc/80/12/14/948801214.db2.gz JWRBOGRJVZPYBP-LJQANCHMSA-N 2 2 366.509 3.518 20 0 FHADLP CCc1cccc(NC(=O)C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000434513332 948801228 /nfs/dbraw/zinc/80/12/28/948801228.db2.gz JWRBOGRJVZPYBP-LJQANCHMSA-N 2 2 366.509 3.518 20 0 FHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000061014654 567859390 /nfs/dbraw/zinc/85/93/90/567859390.db2.gz CVGAFFNCKSEMPZ-UHFFFAOYSA-N 2 2 357.461 3.834 20 0 FHADLP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCN1c1ccccc1F ZINC000602238783 567954795 /nfs/dbraw/zinc/95/47/95/567954795.db2.gz TYSYPKNTPNEIHF-OAQYLSRUSA-N 2 2 373.516 3.519 20 0 FHADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434882 568004379 /nfs/dbraw/zinc/00/43/79/568004379.db2.gz DFYYCVJOKCLCIR-FUHWJXTLSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434882 568004380 /nfs/dbraw/zinc/00/43/80/568004380.db2.gz DFYYCVJOKCLCIR-FUHWJXTLSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331336 568250972 /nfs/dbraw/zinc/25/09/72/568250972.db2.gz FYMZOYQVFZJKAE-PZJWPPBQSA-N 2 2 363.590 3.514 20 0 FHADLP CC(C)[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331336 568250973 /nfs/dbraw/zinc/25/09/73/568250973.db2.gz FYMZOYQVFZJKAE-PZJWPPBQSA-N 2 2 363.590 3.514 20 0 FHADLP c1ccc([C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCS2)cc1 ZINC000643250635 568318275 /nfs/dbraw/zinc/31/82/75/568318275.db2.gz SHLGDHKWXRVUMX-QFIPXVFZSA-N 2 2 368.546 3.809 20 0 FHADLP c1ccc([C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCS2)cc1 ZINC000643250635 568318276 /nfs/dbraw/zinc/31/82/76/568318276.db2.gz SHLGDHKWXRVUMX-QFIPXVFZSA-N 2 2 368.546 3.809 20 0 FHADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338971 /nfs/dbraw/zinc/33/89/71/568338971.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 3 2 361.961 3.938 20 0 FHADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[NH+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338972 /nfs/dbraw/zinc/33/89/72/568338972.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338973 /nfs/dbraw/zinc/33/89/73/568338973.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C2 ZINC000365226332 568338974 /nfs/dbraw/zinc/33/89/74/568338974.db2.gz ZWGPUQVFNDFHRA-KXEVLKFVSA-N 3 2 361.961 3.938 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000390853530 568349697 /nfs/dbraw/zinc/34/96/97/568349697.db2.gz AKFGXLHHZJDWOF-HXUWFJFHSA-N 2 2 369.484 3.655 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000390853530 568349698 /nfs/dbraw/zinc/34/96/98/568349698.db2.gz AKFGXLHHZJDWOF-HXUWFJFHSA-N 2 2 369.484 3.655 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000365270623 568392886 /nfs/dbraw/zinc/39/28/86/568392886.db2.gz SVDFOUBUXGUMCP-QFIPXVFZSA-N 2 2 357.461 3.793 20 0 FHADLP [NH3+]CCC1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000315837224 568395683 /nfs/dbraw/zinc/39/56/83/568395683.db2.gz VLIWJJGNOBFVAM-UHFFFAOYSA-N 2 2 364.704 3.646 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3cccc4cccnc43)C2)cc1 ZINC000390878990 568407728 /nfs/dbraw/zinc/40/77/28/568407728.db2.gz STEKHSCFMAVQFG-QFIPXVFZSA-N 2 2 361.489 3.616 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3cccc4cccnc43)C2)cc1 ZINC000390878990 568407729 /nfs/dbraw/zinc/40/77/29/568407729.db2.gz STEKHSCFMAVQFG-QFIPXVFZSA-N 2 2 361.489 3.616 20 0 FHADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644853807 568435045 /nfs/dbraw/zinc/43/50/45/568435045.db2.gz QDJODSIIILPDCO-FQEVSTJZSA-N 2 2 368.525 3.655 20 0 FHADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644853807 568435047 /nfs/dbraw/zinc/43/50/47/568435047.db2.gz QDJODSIIILPDCO-FQEVSTJZSA-N 2 2 368.525 3.655 20 0 FHADLP CCC(CC)(CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000236910101 568498018 /nfs/dbraw/zinc/49/80/18/568498018.db2.gz MRTHJRUCGAWATQ-UHFFFAOYSA-N 2 2 367.493 3.862 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000643292228 568596160 /nfs/dbraw/zinc/59/61/60/568596160.db2.gz RMVBTVDVPXCXFO-IPMKNSEASA-N 2 2 372.944 3.772 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000643292228 568596161 /nfs/dbraw/zinc/59/61/61/568596161.db2.gz RMVBTVDVPXCXFO-IPMKNSEASA-N 2 2 372.944 3.772 20 0 FHADLP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000328623317 571324619 /nfs/dbraw/zinc/32/46/19/571324619.db2.gz BWONYWXYWONEPV-KKSFZXQISA-N 2 2 351.450 3.619 20 0 FHADLP COc1ccc2oc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cc2c1 ZINC000328623317 571324620 /nfs/dbraw/zinc/32/46/20/571324620.db2.gz BWONYWXYWONEPV-KKSFZXQISA-N 2 2 351.450 3.619 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328636809 571325604 /nfs/dbraw/zinc/32/56/04/571325604.db2.gz OGIIUOZCTJVIMB-AGHHOFFYSA-N 2 2 353.510 3.694 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000328636809 571325605 /nfs/dbraw/zinc/32/56/05/571325605.db2.gz OGIIUOZCTJVIMB-AGHHOFFYSA-N 2 2 353.510 3.694 20 0 FHADLP Cc1cc2ccccc2c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)[nH+]1 ZINC001164647643 719313757 /nfs/dbraw/zinc/31/37/57/719313757.db2.gz DNWVHOZRSYPBJX-UHFFFAOYSA-N 2 2 363.509 3.945 20 0 FHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@H]2C ZINC001164858775 721023000 /nfs/dbraw/zinc/02/30/00/721023000.db2.gz GSGNIGJGDPNXOP-INIZCTEOSA-N 2 2 355.530 3.997 20 0 FHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@H]2C ZINC001164858775 721023003 /nfs/dbraw/zinc/02/30/03/721023003.db2.gz GSGNIGJGDPNXOP-INIZCTEOSA-N 2 2 355.530 3.997 20 0 FHADLP Cc1ccc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)[nH+]c1C ZINC001164909964 721752553 /nfs/dbraw/zinc/75/25/53/721752553.db2.gz VFJZNXGPMKKZTN-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Cc1ccc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)[nH+]c1C ZINC001164909964 721752558 /nfs/dbraw/zinc/75/25/58/721752558.db2.gz VFJZNXGPMKKZTN-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c2c([nH+]1)CCC2 ZINC001164993758 722205672 /nfs/dbraw/zinc/20/56/72/722205672.db2.gz AQDRCYJBIXQKTI-JOCHJYFZSA-N 2 2 366.484 3.658 20 0 FHADLP Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c2c([nH+]1)CCC2 ZINC001164993758 722205675 /nfs/dbraw/zinc/20/56/75/722205675.db2.gz AQDRCYJBIXQKTI-JOCHJYFZSA-N 2 2 366.484 3.658 20 0 FHADLP CC(C)(C)n1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000583056726 937084305 /nfs/dbraw/zinc/08/43/05/937084305.db2.gz SROCYOTUGHCGBH-NHCUHLMSSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000583056726 937084308 /nfs/dbraw/zinc/08/43/08/937084308.db2.gz SROCYOTUGHCGBH-NHCUHLMSSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000583056726 937084312 /nfs/dbraw/zinc/08/43/12/937084312.db2.gz SROCYOTUGHCGBH-NHCUHLMSSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000583056726 937084313 /nfs/dbraw/zinc/08/43/13/937084313.db2.gz SROCYOTUGHCGBH-NHCUHLMSSA-N 2 2 352.526 3.592 20 0 FHADLP Cn1cc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c2ccc(F)cc21 ZINC000274670547 927468703 /nfs/dbraw/zinc/46/87/03/927468703.db2.gz XXESOYKSRMEKOS-UHFFFAOYSA-N 2 2 352.457 3.514 20 0 FHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168925 928466157 /nfs/dbraw/zinc/46/61/57/928466157.db2.gz JSWIXPUZXZMPSA-FXAWDEMLSA-N 2 2 368.525 3.665 20 0 FHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168925 928466169 /nfs/dbraw/zinc/46/61/69/928466169.db2.gz JSWIXPUZXZMPSA-FXAWDEMLSA-N 2 2 368.525 3.665 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170547 928488829 /nfs/dbraw/zinc/48/88/29/928488829.db2.gz RTSNELUUIUTJLG-NEWSRXKRSA-N 2 2 354.498 3.635 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170547 928488834 /nfs/dbraw/zinc/48/88/34/928488834.db2.gz RTSNELUUIUTJLG-NEWSRXKRSA-N 2 2 354.498 3.635 20 0 FHADLP CC[N@H+](CCCC1CC[NH+](Cc2cc(C)on2)CC1)Cc1cc(C)on1 ZINC000154667900 929150878 /nfs/dbraw/zinc/15/08/78/929150878.db2.gz PQHJXCHFWZLIET-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP CC[N@@H+](CCCC1CC[NH+](Cc2cc(C)on2)CC1)Cc1cc(C)on1 ZINC000154667900 929150881 /nfs/dbraw/zinc/15/08/81/929150881.db2.gz PQHJXCHFWZLIET-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP Clc1ccccc1[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000179991604 929292638 /nfs/dbraw/zinc/29/26/38/929292638.db2.gz YXOAQCXIFOQSPS-HXUWFJFHSA-N 2 2 369.852 3.687 20 0 FHADLP Cc1ccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+]2CCCC2)o1 ZINC000180163026 929410147 /nfs/dbraw/zinc/41/01/47/929410147.db2.gz GRNXRXAIKFDING-QGZVFWFLSA-N 2 2 373.463 3.731 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C ZINC001167326750 929857819 /nfs/dbraw/zinc/85/78/19/929857819.db2.gz QARWRXBSJPLFNM-FQEVSTJZSA-N 2 2 358.526 3.870 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1C ZINC001167326750 929857839 /nfs/dbraw/zinc/85/78/39/929857839.db2.gz QARWRXBSJPLFNM-FQEVSTJZSA-N 2 2 358.526 3.870 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000382340915 930039574 /nfs/dbraw/zinc/03/95/74/930039574.db2.gz YLRPDMSWPDVIDP-NRFANRHFSA-N 2 2 368.912 3.990 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000382340915 930039592 /nfs/dbraw/zinc/03/95/92/930039592.db2.gz YLRPDMSWPDVIDP-NRFANRHFSA-N 2 2 368.912 3.990 20 0 FHADLP COCc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1OC ZINC000126437828 937385963 /nfs/dbraw/zinc/38/59/63/937385963.db2.gz FNVHHSRHXBPUAS-HNNXBMFYSA-N 2 2 366.465 3.582 20 0 FHADLP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@H]([NH+]4CCCC4)CC3)n2)C1 ZINC000656127678 930303002 /nfs/dbraw/zinc/30/30/02/930303002.db2.gz VZBDDOSXZXEPLL-SFHVURJKSA-N 2 2 357.546 3.558 20 0 FHADLP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000275899349 930769481 /nfs/dbraw/zinc/76/94/81/930769481.db2.gz RZYJNFZDEAGPLL-FQEVSTJZSA-N 2 2 364.497 3.595 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC000656253952 930873435 /nfs/dbraw/zinc/87/34/35/930873435.db2.gz MKKKHAMKLVEOIN-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c[nH+]1 ZINC000656253952 930873438 /nfs/dbraw/zinc/87/34/38/930873438.db2.gz MKKKHAMKLVEOIN-IBGZPJMESA-N 2 2 366.509 3.504 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253471 930877893 /nfs/dbraw/zinc/87/78/93/930877893.db2.gz NJUKCLRPZFYKBL-QGZVFWFLSA-N 2 2 358.917 3.752 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000656253471 930877899 /nfs/dbraw/zinc/87/78/99/930877899.db2.gz NJUKCLRPZFYKBL-QGZVFWFLSA-N 2 2 358.917 3.752 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000656255489 930897088 /nfs/dbraw/zinc/89/70/88/930897088.db2.gz NRTJCEIQDJJIKZ-DYESRHJHSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000656255489 930897095 /nfs/dbraw/zinc/89/70/95/930897095.db2.gz NRTJCEIQDJJIKZ-DYESRHJHSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000656255489 930897102 /nfs/dbraw/zinc/89/71/02/930897102.db2.gz NRTJCEIQDJJIKZ-DYESRHJHSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000656255489 930897108 /nfs/dbraw/zinc/89/71/08/930897108.db2.gz NRTJCEIQDJJIKZ-DYESRHJHSA-N 2 2 368.500 3.769 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000656261944 930930184 /nfs/dbraw/zinc/93/01/84/930930184.db2.gz NOTNEPNVFIBATL-LBPRGKRZSA-N 2 2 360.255 3.918 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000656261944 930930189 /nfs/dbraw/zinc/93/01/89/930930189.db2.gz NOTNEPNVFIBATL-LBPRGKRZSA-N 2 2 360.255 3.918 20 0 FHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645233 930966482 /nfs/dbraw/zinc/96/64/82/930966482.db2.gz XKTIUDIIJONWGX-FDDCHVKYSA-N 2 2 361.489 3.522 20 0 FHADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nccc2ccccc21 ZINC000580645233 930966490 /nfs/dbraw/zinc/96/64/90/930966490.db2.gz XKTIUDIIJONWGX-FDDCHVKYSA-N 2 2 361.489 3.522 20 0 FHADLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)cc(C)c1F ZINC001143380796 930991161 /nfs/dbraw/zinc/99/11/61/930991161.db2.gz VZYFMMYIVDDHLY-UHFFFAOYSA-N 2 2 370.516 3.807 20 0 FHADLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)cc(C)c1F ZINC001143380796 930991171 /nfs/dbraw/zinc/99/11/71/930991171.db2.gz VZYFMMYIVDDHLY-UHFFFAOYSA-N 2 2 370.516 3.807 20 0 FHADLP COc1cc2ccccc2cc1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281156 931056988 /nfs/dbraw/zinc/05/69/88/931056988.db2.gz OKDCIQUVRQUJKU-OAQYLSRUSA-N 2 2 354.494 3.535 20 0 FHADLP COc1cc2ccccc2cc1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000656281156 931056995 /nfs/dbraw/zinc/05/69/95/931056995.db2.gz OKDCIQUVRQUJKU-OAQYLSRUSA-N 2 2 354.494 3.535 20 0 FHADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580873853 931290093 /nfs/dbraw/zinc/29/00/93/931290093.db2.gz RIVPOJHTFAZVSO-QGZVFWFLSA-N 2 2 372.484 3.895 20 0 FHADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580873853 931290108 /nfs/dbraw/zinc/29/01/08/931290108.db2.gz RIVPOJHTFAZVSO-QGZVFWFLSA-N 2 2 372.484 3.895 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)c1ccccc1 ZINC000684113370 931356268 /nfs/dbraw/zinc/35/62/68/931356268.db2.gz CCJNMNWCHSNZNI-AQNXPRMDSA-N 2 2 363.509 3.753 20 0 FHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000581221114 931696575 /nfs/dbraw/zinc/69/65/75/931696575.db2.gz WGKDOKCPXKMCRO-LJQANCHMSA-N 2 2 372.900 3.549 20 0 FHADLP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000581221114 931696578 /nfs/dbraw/zinc/69/65/78/931696578.db2.gz WGKDOKCPXKMCRO-LJQANCHMSA-N 2 2 372.900 3.549 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430548564 931780382 /nfs/dbraw/zinc/78/03/82/931780382.db2.gz MCBKBQMZOQGDHR-BZSNNMDCSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430548564 931780386 /nfs/dbraw/zinc/78/03/86/931780386.db2.gz MCBKBQMZOQGDHR-BZSNNMDCSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560884 931849252 /nfs/dbraw/zinc/84/92/52/931849252.db2.gz YARGVAAMXQFLNI-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000430560884 931849257 /nfs/dbraw/zinc/84/92/57/931849257.db2.gz YARGVAAMXQFLNI-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586453 931964346 /nfs/dbraw/zinc/96/43/46/931964346.db2.gz YKKSWKJIGBYLGP-CHWSQXEVSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586453 931964349 /nfs/dbraw/zinc/96/43/49/931964349.db2.gz YKKSWKJIGBYLGP-CHWSQXEVSA-N 2 2 364.287 3.663 20 0 FHADLP c1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(Oc3cnccn3)cc2)cc1 ZINC000656789026 932426654 /nfs/dbraw/zinc/42/66/54/932426654.db2.gz NHDLTOIOWQTZJX-NHCUHLMSSA-N 2 2 360.461 3.504 20 0 FHADLP COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000625794450 932467187 /nfs/dbraw/zinc/46/71/87/932467187.db2.gz KDMAVFGLMXETKX-INIZCTEOSA-N 2 2 364.287 3.881 20 0 FHADLP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000625794450 932467191 /nfs/dbraw/zinc/46/71/91/932467191.db2.gz KDMAVFGLMXETKX-INIZCTEOSA-N 2 2 364.287 3.881 20 0 FHADLP CCc1oc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1C(=O)OC ZINC000581730632 932570691 /nfs/dbraw/zinc/57/06/91/932570691.db2.gz PPQXSCXVHOYMLX-INIZCTEOSA-N 2 2 370.493 3.944 20 0 FHADLP C[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)Cn1cc[nH+]c1 ZINC000647176633 932594804 /nfs/dbraw/zinc/59/48/04/932594804.db2.gz RKNJOXJIYMRIJR-LLVKDONJSA-N 2 2 374.229 3.673 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000581911857 932996618 /nfs/dbraw/zinc/99/66/18/932996618.db2.gz MGAPEEUSKCQNSR-OXQOHEQNSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000581911857 932996620 /nfs/dbraw/zinc/99/66/20/932996620.db2.gz MGAPEEUSKCQNSR-OXQOHEQNSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000581911857 932996623 /nfs/dbraw/zinc/99/66/23/932996623.db2.gz MGAPEEUSKCQNSR-OXQOHEQNSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000581911857 932996626 /nfs/dbraw/zinc/99/66/26/932996626.db2.gz MGAPEEUSKCQNSR-OXQOHEQNSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336994 933016021 /nfs/dbraw/zinc/01/60/21/933016021.db2.gz ROYXGJAGTJERNT-HNNXBMFYSA-N 2 2 372.900 3.609 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336994 933016027 /nfs/dbraw/zinc/01/60/27/933016027.db2.gz ROYXGJAGTJERNT-HNNXBMFYSA-N 2 2 372.900 3.609 20 0 FHADLP Cn1nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000647202024 933019518 /nfs/dbraw/zinc/01/95/18/933019518.db2.gz JQWOSCYHEYWETL-LJQANCHMSA-N 2 2 360.505 3.860 20 0 FHADLP Cn1nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000647202024 933019522 /nfs/dbraw/zinc/01/95/22/933019522.db2.gz JQWOSCYHEYWETL-LJQANCHMSA-N 2 2 360.505 3.860 20 0 FHADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000510528922 933189177 /nfs/dbraw/zinc/18/91/77/933189177.db2.gz ZIJRYNQVWRGKFZ-UTKZUKDTSA-N 2 2 362.477 3.602 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000430825281 933266222 /nfs/dbraw/zinc/26/62/22/933266222.db2.gz RXFVQQZFUDYZGQ-ICSRJNTNSA-N 2 2 354.498 3.503 20 0 FHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510789636 933740227 /nfs/dbraw/zinc/74/02/27/933740227.db2.gz AJEXFAKMIZNKLL-SFHVURJKSA-N 2 2 369.475 3.862 20 0 FHADLP CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510789636 933740232 /nfs/dbraw/zinc/74/02/32/933740232.db2.gz AJEXFAKMIZNKLL-SFHVURJKSA-N 2 2 369.475 3.862 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)[C@H]2C=CCCC2)o1 ZINC000510918296 934062402 /nfs/dbraw/zinc/06/24/02/934062402.db2.gz DDYSZVJQKMXVGL-AWEZNQCLSA-N 2 2 350.260 3.850 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)[C@H]2C=CCCC2)o1 ZINC000510918296 934062403 /nfs/dbraw/zinc/06/24/03/934062403.db2.gz DDYSZVJQKMXVGL-AWEZNQCLSA-N 2 2 350.260 3.850 20 0 FHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741947 934169768 /nfs/dbraw/zinc/16/97/68/934169768.db2.gz MXCWBMVPSHHXLL-HNNXBMFYSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741947 934169770 /nfs/dbraw/zinc/16/97/70/934169770.db2.gz MXCWBMVPSHHXLL-HNNXBMFYSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741947 934169772 /nfs/dbraw/zinc/16/97/72/934169772.db2.gz MXCWBMVPSHHXLL-HNNXBMFYSA-N 2 2 352.544 3.589 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000093741947 934169780 /nfs/dbraw/zinc/16/97/80/934169780.db2.gz MXCWBMVPSHHXLL-HNNXBMFYSA-N 2 2 352.544 3.589 20 0 FHADLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610799094 934443130 /nfs/dbraw/zinc/44/31/30/934443130.db2.gz GXQLSPGDCOQQSC-WFASDCNBSA-N 2 2 369.250 3.617 20 0 FHADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458271700 934574334 /nfs/dbraw/zinc/57/43/34/934574334.db2.gz UYGQQUQCVVHYDY-UHFFFAOYSA-N 2 2 372.419 3.632 20 0 FHADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c(C)cn3C2)cc1Br ZINC000150948924 934741712 /nfs/dbraw/zinc/74/17/12/934741712.db2.gz VXXQMQLMHPCJNG-TZMCWYRMSA-N 2 2 364.287 3.628 20 0 FHADLP Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c[nH+]1 ZINC000458363499 934780677 /nfs/dbraw/zinc/78/06/77/934780677.db2.gz CZAWEAPUIGSVDO-QGZVFWFLSA-N 2 2 354.498 3.627 20 0 FHADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000277233005 934822085 /nfs/dbraw/zinc/82/20/85/934822085.db2.gz OWZGTTCXPNWDKJ-NRFANRHFSA-N 2 2 351.494 3.855 20 0 FHADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000277233005 934822089 /nfs/dbraw/zinc/82/20/89/934822089.db2.gz OWZGTTCXPNWDKJ-NRFANRHFSA-N 2 2 351.494 3.855 20 0 FHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000582065158 935195100 /nfs/dbraw/zinc/19/51/00/935195100.db2.gz BPFIZIDRLGAVIT-PMACEKPBSA-N 2 2 371.912 3.602 20 0 FHADLP C[C@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cc[nH+]c1 ZINC000582066392 935204155 /nfs/dbraw/zinc/20/41/55/935204155.db2.gz BKKVEUIXMRYFJA-GOSISDBHSA-N 2 2 354.498 3.527 20 0 FHADLP Cc1ccc([C@H](CNCc2ccnn2-c2cc[nH+]cc2)[NH+]2CCCC2)cc1 ZINC000657338621 935272643 /nfs/dbraw/zinc/27/26/43/935272643.db2.gz QZXYFRLEZURBIM-QFIPXVFZSA-N 2 2 361.493 3.502 20 0 FHADLP CC(C)CCOc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657342483 935289769 /nfs/dbraw/zinc/28/97/69/935289769.db2.gz ZPUAUPIQQHKCSF-UHFFFAOYSA-N 2 2 350.466 3.982 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000152231603 935320873 /nfs/dbraw/zinc/32/08/73/935320873.db2.gz APLKTCGGZNUCNL-SFHVURJKSA-N 3 2 364.493 3.664 20 0 FHADLP CC(C)Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000582563016 935832542 /nfs/dbraw/zinc/83/25/42/935832542.db2.gz SGKCVDVDDAKFEG-IRFPFTSISA-N 2 2 371.569 3.619 20 0 FHADLP CC(C)Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000582563016 935832544 /nfs/dbraw/zinc/83/25/44/935832544.db2.gz SGKCVDVDDAKFEG-IRFPFTSISA-N 2 2 371.569 3.619 20 0 FHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152829791 935869344 /nfs/dbraw/zinc/86/93/44/935869344.db2.gz CSULSAGAFSMHAL-FQEVSTJZSA-N 2 2 353.535 3.915 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000152877864 935877176 /nfs/dbraw/zinc/87/71/76/935877176.db2.gz CNGQNHMJEVRFPS-KRWDZBQOSA-N 2 2 370.516 3.644 20 0 FHADLP c1cc2cc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793820 945131143 /nfs/dbraw/zinc/13/11/43/945131143.db2.gz RHIPFEFWWYABGD-OAQYLSRUSA-N 2 2 350.462 3.814 20 0 FHADLP c1cc2cc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)ccc2o1 ZINC000511793820 945131146 /nfs/dbraw/zinc/13/11/46/945131146.db2.gz RHIPFEFWWYABGD-OAQYLSRUSA-N 2 2 350.462 3.814 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCc4cccnc43)CC2)c1 ZINC000684953229 935898326 /nfs/dbraw/zinc/89/83/26/935898326.db2.gz FFMSQUCEKGXDJW-JOCHJYFZSA-N 2 2 364.537 3.569 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000684958471 935904274 /nfs/dbraw/zinc/90/42/74/935904274.db2.gz ZYTNVZIJZJGMMJ-NCYKPQTJSA-N 2 2 353.510 3.889 20 0 FHADLP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000166222633 936034866 /nfs/dbraw/zinc/03/48/66/936034866.db2.gz RCRHKAQAEIBYSW-NHCUHLMSSA-N 2 2 357.542 3.659 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000657648467 936151702 /nfs/dbraw/zinc/15/17/02/936151702.db2.gz LENKQMYZMDFZAA-ZWKOTPCHSA-N 2 2 368.506 3.802 20 0 FHADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657774365 938317101 /nfs/dbraw/zinc/31/71/01/938317101.db2.gz YMJQYRGMAJJHMV-FQEVSTJZSA-N 2 2 352.526 3.856 20 0 FHADLP CC(C)n1ccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774365 938317103 /nfs/dbraw/zinc/31/71/03/938317103.db2.gz YMJQYRGMAJJHMV-FQEVSTJZSA-N 2 2 352.526 3.856 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000583627334 938328654 /nfs/dbraw/zinc/32/86/54/938328654.db2.gz OMFPNNURJOUHSI-WOJBJXKFSA-N 2 2 368.868 3.537 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000583627334 938328657 /nfs/dbraw/zinc/32/86/57/938328657.db2.gz OMFPNNURJOUHSI-WOJBJXKFSA-N 2 2 368.868 3.537 20 0 FHADLP Fc1ccccc1CC(Cc1ccccc1F)[NH2+]CCCn1cc[nH+]c1 ZINC000151127623 938388075 /nfs/dbraw/zinc/38/80/75/938388075.db2.gz AJJIPDILEAOOIV-UHFFFAOYSA-N 2 2 355.432 3.995 20 0 FHADLP Cc1cccc2nc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819387 938428742 /nfs/dbraw/zinc/42/87/42/938428742.db2.gz GNBKFQAHBYUOQQ-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819387 938428743 /nfs/dbraw/zinc/42/87/43/938428743.db2.gz GNBKFQAHBYUOQQ-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819387 938428745 /nfs/dbraw/zinc/42/87/45/938428745.db2.gz GNBKFQAHBYUOQQ-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn21 ZINC000583819387 938428747 /nfs/dbraw/zinc/42/87/47/938428747.db2.gz GNBKFQAHBYUOQQ-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000163441031 938542656 /nfs/dbraw/zinc/54/26/56/938542656.db2.gz XPXKMBSJORHPPB-KRWDZBQOSA-N 2 2 354.498 3.560 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000278612485 938583695 /nfs/dbraw/zinc/58/36/95/938583695.db2.gz MRKIPGLOHSTJLB-UHFFFAOYSA-N 2 2 373.884 3.915 20 0 FHADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691419 938632244 /nfs/dbraw/zinc/63/22/44/938632244.db2.gz UTOFGTKRXOZSDT-KBPBESRZSA-N 2 2 374.286 3.571 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)F)nc1 ZINC000657841726 938699822 /nfs/dbraw/zinc/69/98/22/938699822.db2.gz QYHFQTGBBDRPBD-HNNXBMFYSA-N 2 2 361.436 3.702 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000083206505 938810910 /nfs/dbraw/zinc/81/09/10/938810910.db2.gz VLFXTASCHJOSRP-CYBMUJFWSA-N 2 2 366.387 3.637 20 0 FHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000083206505 938810913 /nfs/dbraw/zinc/81/09/13/938810913.db2.gz VLFXTASCHJOSRP-CYBMUJFWSA-N 2 2 366.387 3.637 20 0 FHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000584433574 938873123 /nfs/dbraw/zinc/87/31/23/938873123.db2.gz HQEOVXGJLDOCSX-IBGZPJMESA-N 2 2 365.452 3.899 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772546 938882460 /nfs/dbraw/zinc/88/24/60/938882460.db2.gz GTEIGAMBNVXFOP-LPHOPBHVSA-N 2 2 359.901 3.614 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccccc1Cl ZINC000090772546 938882461 /nfs/dbraw/zinc/88/24/61/938882461.db2.gz GTEIGAMBNVXFOP-LPHOPBHVSA-N 2 2 359.901 3.614 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000092072487 938910813 /nfs/dbraw/zinc/91/08/13/938910813.db2.gz QELJQTGFMXSVMV-AWEZNQCLSA-N 2 2 369.387 3.739 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCC(F)(F)F ZINC000092072487 938910815 /nfs/dbraw/zinc/91/08/15/938910815.db2.gz QELJQTGFMXSVMV-AWEZNQCLSA-N 2 2 369.387 3.739 20 0 FHADLP C[NH+](C)Cc1cc(-c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)ccc1F ZINC000685312972 938922510 /nfs/dbraw/zinc/92/25/10/938922510.db2.gz KWVDGJUAAKTZAR-GOSISDBHSA-N 2 2 354.429 3.588 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2c(s1)CCCC2 ZINC000093370258 938933369 /nfs/dbraw/zinc/93/33/69/938933369.db2.gz OGFONKUKFBRARF-INIZCTEOSA-N 2 2 371.550 3.705 20 0 FHADLP CC[N@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000138677821 938940053 /nfs/dbraw/zinc/94/00/53/938940053.db2.gz ZCPGOLNQFRTDTK-UHFFFAOYSA-N 2 2 372.476 3.879 20 0 FHADLP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC000138677821 938940055 /nfs/dbraw/zinc/94/00/55/938940055.db2.gz ZCPGOLNQFRTDTK-UHFFFAOYSA-N 2 2 372.476 3.879 20 0 FHADLP COCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000363528701 938966868 /nfs/dbraw/zinc/96/68/68/938966868.db2.gz QXQIBPFVSTUZRI-QRWLVFNGSA-N 2 2 359.539 3.598 20 0 FHADLP COCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)c1 ZINC000363528701 938966869 /nfs/dbraw/zinc/96/68/69/938966869.db2.gz QXQIBPFVSTUZRI-QRWLVFNGSA-N 2 2 359.539 3.598 20 0 FHADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1c(Cl)cccc1Cl ZINC000467148207 938979039 /nfs/dbraw/zinc/97/90/39/938979039.db2.gz AVYDQKRMDMWNBY-UHFFFAOYSA-N 2 2 367.280 3.925 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443027 938986981 /nfs/dbraw/zinc/98/69/81/938986981.db2.gz JFBIDODWAQPPPW-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443027 938986982 /nfs/dbraw/zinc/98/69/82/938986982.db2.gz JFBIDODWAQPPPW-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443027 938986983 /nfs/dbraw/zinc/98/69/83/938986983.db2.gz JFBIDODWAQPPPW-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443027 938986984 /nfs/dbraw/zinc/98/69/84/938986984.db2.gz JFBIDODWAQPPPW-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000685462479 938988624 /nfs/dbraw/zinc/98/86/24/938988624.db2.gz KXFIKUOMMQNNQU-UHFFFAOYSA-N 2 2 374.229 3.769 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000685462479 938988625 /nfs/dbraw/zinc/98/86/25/938988625.db2.gz KXFIKUOMMQNNQU-UHFFFAOYSA-N 2 2 374.229 3.769 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cc2cnccc2o1 ZINC000657950170 939010779 /nfs/dbraw/zinc/01/07/79/939010779.db2.gz OQXHGTNURGYRGO-HNNXBMFYSA-N 2 2 365.481 3.926 20 0 FHADLP CC[N@@H+](Cc1cnn(C(C)(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564745 939015716 /nfs/dbraw/zinc/01/57/16/939015716.db2.gz VZOXBMXSNVOOJK-UHFFFAOYSA-N 2 2 355.530 3.772 20 0 FHADLP CC[N@H+](Cc1cnn(C(C)(C)C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564745 939015717 /nfs/dbraw/zinc/01/57/17/939015717.db2.gz VZOXBMXSNVOOJK-UHFFFAOYSA-N 2 2 355.530 3.772 20 0 FHADLP CCCn1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336750 939015840 /nfs/dbraw/zinc/01/58/40/939015840.db2.gz CQQJSWBWEFGRHH-NRFANRHFSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336750 939015841 /nfs/dbraw/zinc/01/58/41/939015841.db2.gz CQQJSWBWEFGRHH-NRFANRHFSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336750 939015842 /nfs/dbraw/zinc/01/58/42/939015842.db2.gz CQQJSWBWEFGRHH-NRFANRHFSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336750 939015843 /nfs/dbraw/zinc/01/58/43/939015843.db2.gz CQQJSWBWEFGRHH-NRFANRHFSA-N 2 2 354.542 3.864 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059174 939020289 /nfs/dbraw/zinc/02/02/89/939020289.db2.gz VOUGVQCYBZOOOO-DZGCQCFKSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059174 939020290 /nfs/dbraw/zinc/02/02/90/939020290.db2.gz VOUGVQCYBZOOOO-DZGCQCFKSA-N 2 2 367.921 3.528 20 0 FHADLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)C1 ZINC000658101095 939026241 /nfs/dbraw/zinc/02/62/41/939026241.db2.gz MJLGPJLLIHSDIZ-NQIIRXRSSA-N 2 2 356.558 3.815 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658119112 939031765 /nfs/dbraw/zinc/03/17/65/939031765.db2.gz MTWQZBLFUHDUPI-ACDBMABISA-N 2 2 366.505 3.989 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658119112 939031769 /nfs/dbraw/zinc/03/17/69/939031769.db2.gz MTWQZBLFUHDUPI-ACDBMABISA-N 2 2 366.505 3.989 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658127249 939033918 /nfs/dbraw/zinc/03/39/18/939033918.db2.gz LPTYLFWARWDHKH-AVRDEDQJSA-N 2 2 360.505 3.673 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccnc2ccccc12 ZINC000658127249 939033922 /nfs/dbraw/zinc/03/39/22/939033922.db2.gz LPTYLFWARWDHKH-AVRDEDQJSA-N 2 2 360.505 3.673 20 0 FHADLP COC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000658166390 939054571 /nfs/dbraw/zinc/05/45/71/939054571.db2.gz UYLNUVWEBGPETE-IERDGZPVSA-N 2 2 351.450 3.919 20 0 FHADLP CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000658305732 939095729 /nfs/dbraw/zinc/09/57/29/939095729.db2.gz MJLPRQCJCYWQNI-KRWDZBQOSA-N 2 2 354.498 3.610 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000658292496 939100127 /nfs/dbraw/zinc/10/01/27/939100127.db2.gz ZURYGHWOZSONML-ZWKOTPCHSA-N 2 2 367.331 3.743 20 0 FHADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295622 939101752 /nfs/dbraw/zinc/10/17/52/939101752.db2.gz TWUJRVGPQZQJHR-RXVVDRJESA-N 2 2 358.526 3.867 20 0 FHADLP Fc1ccccc1C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000658297107 939102222 /nfs/dbraw/zinc/10/22/22/939102222.db2.gz YDAGYUJXNCQOIN-GGAORHGYSA-N 2 2 368.496 3.952 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000658296338 939102235 /nfs/dbraw/zinc/10/22/35/939102235.db2.gz YYIOMFKFMXYNQQ-VGSWGCGISA-N 2 2 351.494 3.653 20 0 FHADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801725 939915547 /nfs/dbraw/zinc/91/55/47/939915547.db2.gz NCTYCNUVFONBLF-BTHPGYMESA-N 2 2 360.546 3.510 20 0 FHADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801725 939915550 /nfs/dbraw/zinc/91/55/50/939915550.db2.gz NCTYCNUVFONBLF-BTHPGYMESA-N 2 2 360.546 3.510 20 0 FHADLP CN(C(=O)c1ccc(C2CCCC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785821 940158087 /nfs/dbraw/zinc/15/80/87/940158087.db2.gz FILREXXSNIUSPC-QFIPXVFZSA-N 2 2 369.553 3.585 20 0 FHADLP CN(C(=O)c1ccc(C2CCCC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785821 940158094 /nfs/dbraw/zinc/15/80/94/940158094.db2.gz FILREXXSNIUSPC-QFIPXVFZSA-N 2 2 369.553 3.585 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000511380331 940282162 /nfs/dbraw/zinc/28/21/62/940282162.db2.gz RPUCWELOSVTDQF-NRFANRHFSA-N 2 2 373.928 3.719 20 0 FHADLP CC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)Oc1cccc(F)c1 ZINC000507541118 945315752 /nfs/dbraw/zinc/31/57/52/945315752.db2.gz XRGASKGNYXNADR-INIZCTEOSA-N 2 2 362.411 3.990 20 0 FHADLP CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497342 940375161 /nfs/dbraw/zinc/37/51/61/940375161.db2.gz DHQXZUWYAYVGCR-VQIMIIECSA-N 2 2 359.901 3.873 20 0 FHADLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000647497342 940375162 /nfs/dbraw/zinc/37/51/62/940375162.db2.gz DHQXZUWYAYVGCR-VQIMIIECSA-N 2 2 359.901 3.873 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177805018 940446794 /nfs/dbraw/zinc/44/67/94/940446794.db2.gz ZYWPUFIFPITAGG-SFHVURJKSA-N 3 2 364.493 3.664 20 0 FHADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000647548774 941070341 /nfs/dbraw/zinc/07/03/41/941070341.db2.gz SQGVBCLPHAKNAS-ACJLOTCBSA-N 2 2 356.341 3.545 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000177311920 941116008 /nfs/dbraw/zinc/11/60/08/941116008.db2.gz XSRAADPUGFCCIU-CABCVRRESA-N 2 2 370.324 3.881 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000177311920 941116009 /nfs/dbraw/zinc/11/60/09/941116009.db2.gz XSRAADPUGFCCIU-CABCVRRESA-N 2 2 370.324 3.881 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000177311920 941116010 /nfs/dbraw/zinc/11/60/10/941116010.db2.gz XSRAADPUGFCCIU-CABCVRRESA-N 2 2 370.324 3.881 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000177311920 941116011 /nfs/dbraw/zinc/11/60/11/941116011.db2.gz XSRAADPUGFCCIU-CABCVRRESA-N 2 2 370.324 3.881 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)C1 ZINC000311249990 941152612 /nfs/dbraw/zinc/15/26/12/941152612.db2.gz SFHUYVRUFWWZLH-ZACQAIPSSA-N 2 2 364.534 3.723 20 0 FHADLP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179180943 941338804 /nfs/dbraw/zinc/33/88/04/941338804.db2.gz CJMRQQNFRRHSLQ-YRISNDGFSA-N 2 2 355.526 3.525 20 0 FHADLP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000179180943 941338807 /nfs/dbraw/zinc/33/88/07/941338807.db2.gz CJMRQQNFRRHSLQ-YRISNDGFSA-N 2 2 355.526 3.525 20 0 FHADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179180943 941338811 /nfs/dbraw/zinc/33/88/11/941338811.db2.gz CJMRQQNFRRHSLQ-YRISNDGFSA-N 2 2 355.526 3.525 20 0 FHADLP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179180943 941338814 /nfs/dbraw/zinc/33/88/14/941338814.db2.gz CJMRQQNFRRHSLQ-YRISNDGFSA-N 2 2 355.526 3.525 20 0 FHADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000163686682 941547433 /nfs/dbraw/zinc/54/74/33/941547433.db2.gz JJYKBJFSESMJIN-OAHLLOKOSA-N 2 2 359.539 3.697 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000415064715 941578082 /nfs/dbraw/zinc/57/80/82/941578082.db2.gz LHBQUKSZRSNTTM-INIZCTEOSA-N 2 2 350.409 3.649 20 0 FHADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163731356 941701327 /nfs/dbraw/zinc/70/13/27/941701327.db2.gz UCPOGWOSGDDEEB-NRFANRHFSA-N 2 2 352.478 3.522 20 0 FHADLP COC1CCC(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000892983502 941838139 /nfs/dbraw/zinc/83/81/39/941838139.db2.gz UUCLQBPWXOXZLD-LWEYNCJUSA-N 2 2 360.542 3.681 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)[C@@H](C)C1 ZINC000513398814 941895219 /nfs/dbraw/zinc/89/52/19/941895219.db2.gz ADIQKURTWNJBHK-ZOCIIQOWSA-N 2 2 352.469 3.679 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)[C@@H](C)C1 ZINC000513398814 941895224 /nfs/dbraw/zinc/89/52/24/941895224.db2.gz ADIQKURTWNJBHK-ZOCIIQOWSA-N 2 2 352.469 3.679 20 0 FHADLP c1cn(-c2cccc(C[NH2+][C@H](Cc3ccccn3)c3cccnc3)c2)c[nH+]1 ZINC000513404349 941898547 /nfs/dbraw/zinc/89/85/47/941898547.db2.gz HLMORYLXMORFGT-JOCHJYFZSA-N 2 2 355.445 3.736 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)[C@@H]1c1cccnc1 ZINC000377700580 941912028 /nfs/dbraw/zinc/91/20/28/941912028.db2.gz NQJFCEJOVOZFPD-TYPHKJRUSA-N 2 2 353.535 3.695 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CSCCc3ccccc32)[C@@H]1c1cccnc1 ZINC000377700580 941912032 /nfs/dbraw/zinc/91/20/32/941912032.db2.gz NQJFCEJOVOZFPD-TYPHKJRUSA-N 2 2 353.535 3.695 20 0 FHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000513486005 941965925 /nfs/dbraw/zinc/96/59/25/941965925.db2.gz VHZYMUJTNSQNPW-NHCUHLMSSA-N 2 2 358.913 3.800 20 0 FHADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000513486005 941965928 /nfs/dbraw/zinc/96/59/28/941965928.db2.gz VHZYMUJTNSQNPW-NHCUHLMSSA-N 2 2 358.913 3.800 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537526 941994565 /nfs/dbraw/zinc/99/45/65/941994565.db2.gz AHDJFWYOJOOFLD-YCRPNKLZSA-N 2 2 372.459 3.963 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)CCC2 ZINC000377832575 942020274 /nfs/dbraw/zinc/02/02/74/942020274.db2.gz SXPCEMWLQZTHES-OAHLLOKOSA-N 2 2 353.388 3.800 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017848 942041887 /nfs/dbraw/zinc/04/18/87/942041887.db2.gz URZFGRUJLITVLN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017848 942041892 /nfs/dbraw/zinc/04/18/92/942041892.db2.gz URZFGRUJLITVLN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017848 942041897 /nfs/dbraw/zinc/04/18/97/942041897.db2.gz URZFGRUJLITVLN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017848 942041901 /nfs/dbraw/zinc/04/19/01/942041901.db2.gz URZFGRUJLITVLN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000502013046 942172051 /nfs/dbraw/zinc/17/20/51/942172051.db2.gz GFDDUTXEOKIVPD-WOJBJXKFSA-N 2 2 356.514 3.524 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000182092952 942204792 /nfs/dbraw/zinc/20/47/92/942204792.db2.gz HMEOBPMHVPZDIU-HNNXBMFYSA-N 2 2 353.388 3.773 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000182092952 942204797 /nfs/dbraw/zinc/20/47/97/942204797.db2.gz HMEOBPMHVPZDIU-HNNXBMFYSA-N 2 2 353.388 3.773 20 0 FHADLP CCCOc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182093876 942212839 /nfs/dbraw/zinc/21/28/39/942212839.db2.gz SWCUHRZTRPGGOG-KRWDZBQOSA-N 2 2 357.498 3.672 20 0 FHADLP CCCOc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182093876 942212842 /nfs/dbraw/zinc/21/28/42/942212842.db2.gz SWCUHRZTRPGGOG-KRWDZBQOSA-N 2 2 357.498 3.672 20 0 FHADLP COc1ccc([C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420898774 942244511 /nfs/dbraw/zinc/24/45/11/942244511.db2.gz DPUNBJABPLLAFT-QFIPXVFZSA-N 2 2 366.505 3.517 20 0 FHADLP COc1ccc([C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420898774 942244516 /nfs/dbraw/zinc/24/45/16/942244516.db2.gz DPUNBJABPLLAFT-QFIPXVFZSA-N 2 2 366.505 3.517 20 0 FHADLP COc1ccccc1C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901941 942245775 /nfs/dbraw/zinc/24/57/75/942245775.db2.gz LPACRWQDPIVIKT-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP COc1ccccc1C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420901941 942245783 /nfs/dbraw/zinc/24/57/83/942245783.db2.gz LPACRWQDPIVIKT-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000500987326 942246747 /nfs/dbraw/zinc/24/67/47/942246747.db2.gz CUQGSDSBWIWRSV-UHFFFAOYSA-N 2 2 374.960 3.596 20 0 FHADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)CC1 ZINC000500987326 942246752 /nfs/dbraw/zinc/24/67/52/942246752.db2.gz CUQGSDSBWIWRSV-UHFFFAOYSA-N 2 2 374.960 3.596 20 0 FHADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000420907037 942247616 /nfs/dbraw/zinc/24/76/16/942247616.db2.gz UPEMIJIRBGBTNQ-FQEVSTJZSA-N 2 2 368.521 3.728 20 0 FHADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000420907037 942247621 /nfs/dbraw/zinc/24/76/21/942247621.db2.gz UPEMIJIRBGBTNQ-FQEVSTJZSA-N 2 2 368.521 3.728 20 0 FHADLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)sc1C ZINC000420937153 942263861 /nfs/dbraw/zinc/26/38/61/942263861.db2.gz NRQWSMUCGRYFTC-UHFFFAOYSA-N 2 2 359.539 3.617 20 0 FHADLP c1coc([C@@H]2[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981579 942280996 /nfs/dbraw/zinc/28/09/96/942280996.db2.gz YPLQGTRWUWSTIF-NRFANRHFSA-N 2 2 352.478 3.839 20 0 FHADLP c1coc([C@@H]2[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981579 942280999 /nfs/dbraw/zinc/28/09/99/942280999.db2.gz YPLQGTRWUWSTIF-NRFANRHFSA-N 2 2 352.478 3.839 20 0 FHADLP c1coc([C@H]2[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981583 942281028 /nfs/dbraw/zinc/28/10/28/942281028.db2.gz YPLQGTRWUWSTIF-OAQYLSRUSA-N 2 2 352.478 3.839 20 0 FHADLP c1coc([C@H]2[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC23CCC3)c1 ZINC000420981583 942281031 /nfs/dbraw/zinc/28/10/31/942281031.db2.gz YPLQGTRWUWSTIF-OAQYLSRUSA-N 2 2 352.478 3.839 20 0 FHADLP c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(-c2ccccc2)n1 ZINC000502303885 942344238 /nfs/dbraw/zinc/34/42/38/942344238.db2.gz USUISNAKJJPISB-GOSISDBHSA-N 2 2 361.493 3.785 20 0 FHADLP c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n(-c2ccccc2)n1 ZINC000502303885 942344242 /nfs/dbraw/zinc/34/42/42/942344242.db2.gz USUISNAKJJPISB-GOSISDBHSA-N 2 2 361.493 3.785 20 0 FHADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180535257 942379871 /nfs/dbraw/zinc/37/98/71/942379871.db2.gz CSWYHUOGWLPKCE-ABHNRTSZSA-N 2 2 353.551 3.676 20 0 FHADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180535257 942379874 /nfs/dbraw/zinc/37/98/74/942379874.db2.gz CSWYHUOGWLPKCE-ABHNRTSZSA-N 2 2 353.551 3.676 20 0 FHADLP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821340 942430456 /nfs/dbraw/zinc/43/04/56/942430456.db2.gz BFXIUAZPPWIYNX-FOSCPWQOSA-N 2 2 351.224 3.967 20 0 FHADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414832216 942503048 /nfs/dbraw/zinc/50/30/48/942503048.db2.gz ODVADYSXRDYYKM-PXAZEXFGSA-N 2 2 351.263 3.809 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000421376868 942527664 /nfs/dbraw/zinc/52/76/64/942527664.db2.gz QZXNHMAIVXTNDW-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(CCc3ccc(F)cc3Cl)CC2)CC1 ZINC000421376868 942527670 /nfs/dbraw/zinc/52/76/70/942527670.db2.gz QZXNHMAIVXTNDW-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502551503 942530067 /nfs/dbraw/zinc/53/00/67/942530067.db2.gz MIZYVMZYIZHXOK-SQNIBIBYSA-N 2 2 369.912 3.507 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502551503 942530072 /nfs/dbraw/zinc/53/00/72/942530072.db2.gz MIZYVMZYIZHXOK-SQNIBIBYSA-N 2 2 369.912 3.507 20 0 FHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434282294 942557814 /nfs/dbraw/zinc/55/78/14/942557814.db2.gz VCZADQGJQUCGAY-UHFFFAOYSA-N 2 2 354.498 3.661 20 0 FHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434282294 942557817 /nfs/dbraw/zinc/55/78/17/942557817.db2.gz VCZADQGJQUCGAY-UHFFFAOYSA-N 2 2 354.498 3.661 20 0 FHADLP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434282294 942557820 /nfs/dbraw/zinc/55/78/20/942557820.db2.gz VCZADQGJQUCGAY-UHFFFAOYSA-N 2 2 354.498 3.661 20 0 FHADLP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434282294 942557825 /nfs/dbraw/zinc/55/78/25/942557825.db2.gz VCZADQGJQUCGAY-UHFFFAOYSA-N 2 2 354.498 3.661 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@](C)(C[NH3+])C2CC2)on1 ZINC000420292278 942596488 /nfs/dbraw/zinc/59/64/88/942596488.db2.gz OZEYWSJTIIUPPJ-NRFANRHFSA-N 2 2 351.450 3.720 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420282478 942603213 /nfs/dbraw/zinc/60/32/13/942603213.db2.gz BLXHLGISGMDTAL-DNVCBOLYSA-N 2 2 357.885 3.609 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420282478 942603220 /nfs/dbraw/zinc/60/32/20/942603220.db2.gz BLXHLGISGMDTAL-DNVCBOLYSA-N 2 2 357.885 3.609 20 0 FHADLP CCc1cccc(C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420308583 942614196 /nfs/dbraw/zinc/61/41/96/942614196.db2.gz KOSFDUAZEWPAPV-HXUWFJFHSA-N 2 2 352.526 3.610 20 0 FHADLP CCc1cccc(C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000420308583 942614201 /nfs/dbraw/zinc/61/42/01/942614201.db2.gz KOSFDUAZEWPAPV-HXUWFJFHSA-N 2 2 352.526 3.610 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420316750 942617659 /nfs/dbraw/zinc/61/76/59/942617659.db2.gz NOHBHTRENOZUMF-SVMVAKDDSA-N 2 2 359.473 3.633 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420316750 942617662 /nfs/dbraw/zinc/61/76/62/942617662.db2.gz NOHBHTRENOZUMF-SVMVAKDDSA-N 2 2 359.473 3.633 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342498 942625045 /nfs/dbraw/zinc/62/50/45/942625045.db2.gz PLEOQBSFRVBCEY-IUODEOHRSA-N 2 2 370.324 3.784 20 0 FHADLP COc1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420386531 942649734 /nfs/dbraw/zinc/64/97/34/942649734.db2.gz GALJYUGTUAVHLG-QFBILLFUSA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cs2)c1 ZINC000420386531 942649738 /nfs/dbraw/zinc/64/97/38/942649738.db2.gz GALJYUGTUAVHLG-QFBILLFUSA-N 2 2 357.523 3.783 20 0 FHADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000420391890 942653031 /nfs/dbraw/zinc/65/30/31/942653031.db2.gz BEYQEOKJFADAEY-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000420391890 942653035 /nfs/dbraw/zinc/65/30/35/942653035.db2.gz BEYQEOKJFADAEY-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1Cl ZINC000502855391 942799542 /nfs/dbraw/zinc/79/95/42/942799542.db2.gz LIOLXJWZWAYUGU-UHFFFAOYSA-N 2 2 358.917 3.608 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470060 942800677 /nfs/dbraw/zinc/80/06/77/942800677.db2.gz AQJCOMFDUQHUEF-XPIZARPCSA-N 2 2 352.482 3.900 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470060 942800682 /nfs/dbraw/zinc/80/06/82/942800682.db2.gz AQJCOMFDUQHUEF-XPIZARPCSA-N 2 2 352.482 3.900 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660000458 942822455 /nfs/dbraw/zinc/82/24/55/942822455.db2.gz AYETUZDLIRQLHC-SJLPKXTDSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660000458 942822461 /nfs/dbraw/zinc/82/24/61/942822461.db2.gz AYETUZDLIRQLHC-SJLPKXTDSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660000458 942822466 /nfs/dbraw/zinc/82/24/66/942822466.db2.gz AYETUZDLIRQLHC-SJLPKXTDSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660000458 942822474 /nfs/dbraw/zinc/82/24/74/942822474.db2.gz AYETUZDLIRQLHC-SJLPKXTDSA-N 2 2 361.555 3.812 20 0 FHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414849966 942853557 /nfs/dbraw/zinc/85/35/57/942853557.db2.gz RUBDOWYZFIZMHS-IIBYNOLFSA-N 2 2 369.509 3.825 20 0 FHADLP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687255 942865594 /nfs/dbraw/zinc/86/55/94/942865594.db2.gz CPPDDASPYFQONL-FQEVSTJZSA-N 2 2 367.493 3.622 20 0 FHADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154073 942880164 /nfs/dbraw/zinc/88/01/64/942880164.db2.gz GSXRAVIKRWSQPY-WOJBJXKFSA-N 2 2 368.525 3.703 20 0 FHADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154073 942880169 /nfs/dbraw/zinc/88/01/69/942880169.db2.gz GSXRAVIKRWSQPY-WOJBJXKFSA-N 2 2 368.525 3.703 20 0 FHADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154071 942880340 /nfs/dbraw/zinc/88/03/40/942880340.db2.gz GSXRAVIKRWSQPY-VQTJNVASSA-N 2 2 368.525 3.703 20 0 FHADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425154071 942880342 /nfs/dbraw/zinc/88/03/42/942880342.db2.gz GSXRAVIKRWSQPY-VQTJNVASSA-N 2 2 368.525 3.703 20 0 FHADLP Cc1nc2c(s1)[C@@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCC2 ZINC000272315553 943135482 /nfs/dbraw/zinc/13/54/82/943135482.db2.gz UUMWBZOZNWZOTK-SFHVURJKSA-N 2 2 371.554 3.866 20 0 FHADLP Fc1ccc2oc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000503432888 943180835 /nfs/dbraw/zinc/18/08/35/943180835.db2.gz AUTGRRSQFVAZOE-CQSZACIVSA-N 2 2 354.429 3.879 20 0 FHADLP Fc1ccc2oc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000503432888 943180837 /nfs/dbraw/zinc/18/08/37/943180837.db2.gz AUTGRRSQFVAZOE-CQSZACIVSA-N 2 2 354.429 3.879 20 0 FHADLP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000435135469 943187986 /nfs/dbraw/zinc/18/79/86/943187986.db2.gz QDXKCTOHBPANAH-UHFFFAOYSA-N 2 2 350.466 3.766 20 0 FHADLP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000435135469 943187989 /nfs/dbraw/zinc/18/79/89/943187989.db2.gz QDXKCTOHBPANAH-UHFFFAOYSA-N 2 2 350.466 3.766 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1)[C@@H]1CCC[NH2+]1 ZINC000422705959 943240391 /nfs/dbraw/zinc/24/03/91/943240391.db2.gz DFONAJDGGVXRRL-UXHICEINSA-N 2 2 355.457 3.698 20 0 FHADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710517 943243806 /nfs/dbraw/zinc/24/38/06/943243806.db2.gz FYUNNJFCOFAJJO-OFNKIYASSA-N 3 2 360.505 3.815 20 0 FHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713379 943254079 /nfs/dbraw/zinc/25/40/79/943254079.db2.gz JOIXIEWTJPORLM-KAOXLYBCSA-N 3 2 373.585 3.596 20 0 FHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713379 943254083 /nfs/dbraw/zinc/25/40/83/943254083.db2.gz JOIXIEWTJPORLM-KAOXLYBCSA-N 3 2 373.585 3.596 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422726051 943259825 /nfs/dbraw/zinc/25/98/25/943259825.db2.gz ZDADJSWXIXSNPV-CZUORRHYSA-N 2 2 352.404 3.511 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727135 943261400 /nfs/dbraw/zinc/26/14/00/943261400.db2.gz GVYZEPOUMMMRCE-KURKYZTESA-N 2 2 355.448 3.529 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727135 943261407 /nfs/dbraw/zinc/26/14/07/943261407.db2.gz GVYZEPOUMMMRCE-KURKYZTESA-N 2 2 355.448 3.529 20 0 FHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422737790 943264698 /nfs/dbraw/zinc/26/46/98/943264698.db2.gz ILORSEFFLVPKRC-GDZNZVCISA-N 2 2 363.502 3.675 20 0 FHADLP Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894276236 943292472 /nfs/dbraw/zinc/29/24/72/943292472.db2.gz HMZFOUGDLFRYLN-JTQLQIEISA-N 2 2 367.396 3.525 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422830053 943298407 /nfs/dbraw/zinc/29/84/07/943298407.db2.gz QRKLQPMGVWWXGX-NQERJWCQSA-N 2 2 360.448 3.605 20 0 FHADLP C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000422815533 943302551 /nfs/dbraw/zinc/30/25/51/943302551.db2.gz XTGNOMKYZKQIES-BVGQSLNGSA-N 2 2 356.432 3.556 20 0 FHADLP CC(C)n1cncc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000425330774 943312553 /nfs/dbraw/zinc/31/25/53/943312553.db2.gz BXJVWRVFHHUULD-QFIPXVFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000425330774 943312557 /nfs/dbraw/zinc/31/25/57/943312557.db2.gz BXJVWRVFHHUULD-QFIPXVFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000425330774 943312560 /nfs/dbraw/zinc/31/25/60/943312560.db2.gz BXJVWRVFHHUULD-QFIPXVFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000425330774 943312563 /nfs/dbraw/zinc/31/25/63/943312563.db2.gz BXJVWRVFHHUULD-QFIPXVFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000425330771 943312673 /nfs/dbraw/zinc/31/26/73/943312673.db2.gz BXJVWRVFHHUULD-JOCHJYFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000425330771 943312676 /nfs/dbraw/zinc/31/26/76/943312676.db2.gz BXJVWRVFHHUULD-JOCHJYFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000425330771 943312677 /nfs/dbraw/zinc/31/26/77/943312677.db2.gz BXJVWRVFHHUULD-JOCHJYFZSA-N 2 2 352.526 3.952 20 0 FHADLP CC(C)n1cncc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000425330771 943312680 /nfs/dbraw/zinc/31/26/80/943312680.db2.gz BXJVWRVFHHUULD-JOCHJYFZSA-N 2 2 352.526 3.952 20 0 FHADLP CCOc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1OC(F)F ZINC000422871999 943321623 /nfs/dbraw/zinc/32/16/23/943321623.db2.gz FGQICIVNDQVJAY-YOEHRIQHSA-N 2 2 364.436 3.735 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000425341447 943336276 /nfs/dbraw/zinc/33/62/76/943336276.db2.gz XIRRJVJWHJJRGN-RBBKRZOGSA-N 2 2 352.526 3.951 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000425341447 943336282 /nfs/dbraw/zinc/33/62/82/943336282.db2.gz XIRRJVJWHJJRGN-RBBKRZOGSA-N 2 2 352.526 3.951 20 0 FHADLP c1ccc(CC[NH+]2CCC(Nc3ccc(N4CCCC4)c[nH+]3)CC2)cc1 ZINC000425341559 943336309 /nfs/dbraw/zinc/33/63/09/943336309.db2.gz DGOBPPUEFOHGMS-UHFFFAOYSA-N 2 2 350.510 3.801 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937345 943337548 /nfs/dbraw/zinc/33/75/48/943337548.db2.gz GCAYIMGNTRWOSN-MZMPZRCHSA-N 2 2 350.915 3.848 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422962618 943342857 /nfs/dbraw/zinc/34/28/57/943342857.db2.gz CWJJQJSQWXQPTH-BRKWEVRTSA-N 3 2 356.558 3.507 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422962621 943342976 /nfs/dbraw/zinc/34/29/76/943342976.db2.gz CWJJQJSQWXQPTH-XYEHWOGUSA-N 3 2 356.558 3.507 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422949895 943346627 /nfs/dbraw/zinc/34/66/27/943346627.db2.gz UWGZCOHCLBAJOF-UCNVEGJOSA-N 2 2 354.494 3.531 20 0 FHADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955351 943348688 /nfs/dbraw/zinc/34/86/88/943348688.db2.gz JASXDELAQIZBEE-KNQAVFIVSA-N 2 2 364.493 3.740 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H]2CCC[NH2+]2)cc1 ZINC000422954637 943348722 /nfs/dbraw/zinc/34/87/22/943348722.db2.gz JMEJNMZVKNZIOM-RXVVDRJESA-N 2 2 371.550 3.656 20 0 FHADLP CC(C)COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422972535 943355445 /nfs/dbraw/zinc/35/54/45/943355445.db2.gz MAKHOFSMNCOLFJ-CNNODRBYSA-N 2 2 370.493 3.839 20 0 FHADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375159 943356421 /nfs/dbraw/zinc/35/64/21/943356421.db2.gz SPTGYXVPLMAVMG-VXGBXAGGSA-N 2 2 366.328 3.742 20 0 FHADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375159 943356425 /nfs/dbraw/zinc/35/64/25/943356425.db2.gz SPTGYXVPLMAVMG-VXGBXAGGSA-N 2 2 366.328 3.742 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000435372729 943365265 /nfs/dbraw/zinc/36/52/65/943365265.db2.gz BZCUFDUYUBKVMD-UHFFFAOYSA-N 2 2 364.468 3.862 20 0 FHADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435379036 943368480 /nfs/dbraw/zinc/36/84/80/943368480.db2.gz HLKAGZPZXWJKOE-ZZJWQFMZSA-N 2 2 364.917 3.613 20 0 FHADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435379036 943368486 /nfs/dbraw/zinc/36/84/86/943368486.db2.gz HLKAGZPZXWJKOE-ZZJWQFMZSA-N 2 2 364.917 3.613 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000423049488 943368910 /nfs/dbraw/zinc/36/89/10/943368910.db2.gz XTPXSIWXSCOOMF-ZSGPHXLJSA-N 2 2 356.432 3.698 20 0 FHADLP CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423022945 943369258 /nfs/dbraw/zinc/36/92/58/943369258.db2.gz ISHIISYELWPADL-AXUOBQJMSA-N 2 2 353.913 3.722 20 0 FHADLP COc1ccc([C@H]([NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423055795 943376776 /nfs/dbraw/zinc/37/67/76/943376776.db2.gz XDMOMVXTCJSSMR-SWUCNREESA-N 2 2 366.505 3.998 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391137 943378210 /nfs/dbraw/zinc/37/82/10/943378210.db2.gz RNOVUMKPFCCCDP-XYBJCVHJSA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435391137 943378216 /nfs/dbraw/zinc/37/82/16/943378216.db2.gz RNOVUMKPFCCCDP-XYBJCVHJSA-N 2 2 351.494 3.748 20 0 FHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069244 943380624 /nfs/dbraw/zinc/38/06/24/943380624.db2.gz AUJMPGMNLFFIMA-BBTUJRGHSA-N 2 2 354.494 3.683 20 0 FHADLP COc1ccc2oc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000435395300 943381360 /nfs/dbraw/zinc/38/13/60/943381360.db2.gz RXGCDTJILIGINY-LJQANCHMSA-N 2 2 365.477 3.981 20 0 FHADLP COc1ccc2oc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000435395300 943381367 /nfs/dbraw/zinc/38/13/67/943381367.db2.gz RXGCDTJILIGINY-LJQANCHMSA-N 2 2 365.477 3.981 20 0 FHADLP C[C@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074134 943383210 /nfs/dbraw/zinc/38/32/10/943383210.db2.gz UBSAKYCOWPLXSZ-ZOCIIQOWSA-N 2 2 374.326 3.858 20 0 FHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423078115 943385907 /nfs/dbraw/zinc/38/59/07/943385907.db2.gz NVEIIHAUYZXXIO-WCQYABFASA-N 2 2 362.823 3.705 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423101070 943394809 /nfs/dbraw/zinc/39/48/09/943394809.db2.gz HWJPGLRCBJDKAP-NKGKWGDASA-N 2 2 356.432 3.698 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435423447 943403476 /nfs/dbraw/zinc/40/34/76/943403476.db2.gz QQKYPNRNEHYHCS-HNNXBMFYSA-N 2 2 367.465 3.665 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435423447 943403481 /nfs/dbraw/zinc/40/34/81/943403481.db2.gz QQKYPNRNEHYHCS-HNNXBMFYSA-N 2 2 367.465 3.665 20 0 FHADLP COc1cc(C)[nH+]c(CN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435427286 943407374 /nfs/dbraw/zinc/40/73/74/943407374.db2.gz MERPECXAADWQAS-LJQANCHMSA-N 2 2 357.523 3.604 20 0 FHADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)sc1Br ZINC000423156968 943412965 /nfs/dbraw/zinc/41/29/65/943412965.db2.gz LVOIATRZNWZNLU-RWMBFGLXSA-N 2 2 358.349 3.614 20 0 FHADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)sc1Br ZINC000423156967 943413242 /nfs/dbraw/zinc/41/32/42/943413242.db2.gz LVOIATRZNWZNLU-JHJVBQTASA-N 2 2 358.349 3.614 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1Cl ZINC000423185904 943434030 /nfs/dbraw/zinc/43/40/30/943434030.db2.gz KCJLCCWZQFTYIR-CQSZACIVSA-N 2 2 363.889 3.583 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1Br ZINC000423186892 943434872 /nfs/dbraw/zinc/43/48/72/943434872.db2.gz ONXKSHRZSCVNDN-SECBINFHSA-N 2 2 362.109 3.614 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233771 943443145 /nfs/dbraw/zinc/44/31/45/943443145.db2.gz OSAAYTKZUMMGNR-ZDUSSCGKSA-N 2 2 359.543 3.727 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423237729 943444193 /nfs/dbraw/zinc/44/41/93/943444193.db2.gz IMCQZSQDAVBNAW-DYESRHJHSA-N 2 2 353.510 3.841 20 0 FHADLP Cc1ccc(OC(F)F)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423230592 943452108 /nfs/dbraw/zinc/45/21/08/943452108.db2.gz JOVSCIXZDIMOIT-CQSZACIVSA-N 2 2 362.424 3.574 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(I)cc1 ZINC000423245222 943457337 /nfs/dbraw/zinc/45/73/37/943457337.db2.gz OGLOPQIFPATOIH-MLGOLLRUSA-N 2 2 366.246 3.642 20 0 FHADLP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250828 943459612 /nfs/dbraw/zinc/45/96/12/943459612.db2.gz VPPBJBSVYXTKHJ-QFBILLFUSA-N 2 2 369.509 3.825 20 0 FHADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278129 943469413 /nfs/dbraw/zinc/46/94/13/943469413.db2.gz PMOUMNKCXIPAQB-MRXNPFEDSA-N 2 2 358.530 3.934 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322741 943475081 /nfs/dbraw/zinc/47/50/81/943475081.db2.gz GTAIHFQSQVJEAI-RYGJVYDSSA-N 2 2 370.493 3.509 20 0 FHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000423294137 943475302 /nfs/dbraw/zinc/47/53/02/943475302.db2.gz TUNOVUGFKCZBTM-VBKZILBWSA-N 2 2 354.885 3.972 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000423344420 943478044 /nfs/dbraw/zinc/47/80/44/943478044.db2.gz WUGYWGVXRZAPEJ-YSIASYRMSA-N 2 2 354.519 3.967 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)CCC2 ZINC000423334487 943482690 /nfs/dbraw/zinc/48/26/90/943482690.db2.gz OZRVHYQFEACBCE-ZHALLVOQSA-N 2 2 371.550 3.827 20 0 FHADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358948 943490495 /nfs/dbraw/zinc/49/04/95/943490495.db2.gz CMTDFKQBDGGWLH-JNAXZKDPSA-N 2 2 360.448 3.640 20 0 FHADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423358950 943490678 /nfs/dbraw/zinc/49/06/78/943490678.db2.gz CMTDFKQBDGGWLH-VHFSOBRXSA-N 2 2 360.448 3.640 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069553 943496690 /nfs/dbraw/zinc/49/66/90/943496690.db2.gz XRNUKCOSBLHLFT-SCLBCKFNSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069553 943496694 /nfs/dbraw/zinc/49/66/94/943496694.db2.gz XRNUKCOSBLHLFT-SCLBCKFNSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000515069553 943496697 /nfs/dbraw/zinc/49/66/97/943496697.db2.gz XRNUKCOSBLHLFT-SCLBCKFNSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000515069553 943496701 /nfs/dbraw/zinc/49/67/01/943496701.db2.gz XRNUKCOSBLHLFT-SCLBCKFNSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423499602 943529649 /nfs/dbraw/zinc/52/96/49/943529649.db2.gz CFFSDRVZYNQVEC-YWZLYKJASA-N 2 2 364.555 3.571 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423496108 943537696 /nfs/dbraw/zinc/53/76/96/943537696.db2.gz DFUOXKXZQMKPIC-HTAPYJJXSA-N 3 2 355.526 3.540 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423517113 943543169 /nfs/dbraw/zinc/54/31/69/943543169.db2.gz YOPSPQZKUZHEQH-BTYIYWSLSA-N 2 2 366.509 3.884 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000435733728 943587475 /nfs/dbraw/zinc/58/74/75/943587475.db2.gz CTBXHGWTCBOZIF-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000435733728 943587477 /nfs/dbraw/zinc/58/74/77/943587477.db2.gz CTBXHGWTCBOZIF-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000424322219 943844117 /nfs/dbraw/zinc/84/41/17/943844117.db2.gz VAVJWBREICEGOG-HUUCEWRRSA-N 2 2 352.906 3.500 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@H+]3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cc2)c1 ZINC000424381090 943890089 /nfs/dbraw/zinc/89/00/89/943890089.db2.gz QLXIUAWCCBHZKH-XZOQPEGZSA-N 2 2 360.505 3.631 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@@H+]3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)cc2)c1 ZINC000424381090 943890094 /nfs/dbraw/zinc/89/00/94/943890094.db2.gz QLXIUAWCCBHZKH-XZOQPEGZSA-N 2 2 360.505 3.631 20 0 FHADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(F)c1 ZINC000436047768 943972283 /nfs/dbraw/zinc/97/22/83/943972283.db2.gz DXJQWSTYQKIIPF-ZIAGYGMSSA-N 2 2 351.466 3.902 20 0 FHADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)c(F)c1 ZINC000436047768 943972292 /nfs/dbraw/zinc/97/22/92/943972292.db2.gz DXJQWSTYQKIIPF-ZIAGYGMSSA-N 2 2 351.466 3.902 20 0 FHADLP CCCC[C@H](CC)C[N@@H+]1CCC12CN(C(=O)c1c[nH]c3cc[nH+]cc13)C2 ZINC001270284287 944211808 /nfs/dbraw/zinc/21/18/08/944211808.db2.gz CKCKWKQARSMWBP-INIZCTEOSA-N 2 2 354.498 3.680 20 0 FHADLP CCCC[C@H](CC)C[N@H+]1CCC12CN(C(=O)c1c[nH]c3cc[nH+]cc13)C2 ZINC001270284287 944211812 /nfs/dbraw/zinc/21/18/12/944211812.db2.gz CKCKWKQARSMWBP-INIZCTEOSA-N 2 2 354.498 3.680 20 0 FHADLP c1c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)noc1-c1ccccc1 ZINC000517356229 944239293 /nfs/dbraw/zinc/23/92/93/944239293.db2.gz MSCZRFLBKPYEHV-UGKGYDQZSA-N 2 2 361.445 3.687 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321523 /nfs/dbraw/zinc/32/15/23/944321523.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321530 /nfs/dbraw/zinc/32/15/30/944321530.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321536 /nfs/dbraw/zinc/32/15/36/944321536.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483934 944321542 /nfs/dbraw/zinc/32/15/42/944321542.db2.gz CXCDAOSXDLZCNV-HSALFYBXSA-N 2 2 351.579 3.607 20 0 FHADLP Fc1ccc(-n2nccc2C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000518508051 944452250 /nfs/dbraw/zinc/45/22/50/944452250.db2.gz RNAQIYDOALXDNJ-UHFFFAOYSA-N 2 2 361.424 3.546 20 0 FHADLP Fc1ccccc1-c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)on1 ZINC001167981736 944489806 /nfs/dbraw/zinc/48/98/06/944489806.db2.gz HFFPZJGUTKHUCK-ALOPSCKCSA-N 2 2 355.457 3.976 20 0 FHADLP Fc1ccccc1-c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)on1 ZINC001167981736 944489808 /nfs/dbraw/zinc/48/98/08/944489808.db2.gz HFFPZJGUTKHUCK-ALOPSCKCSA-N 2 2 355.457 3.976 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583660 944514835 /nfs/dbraw/zinc/51/48/35/944514835.db2.gz FCTAJJLXFDQGTN-GMAHTHKFSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583660 944514841 /nfs/dbraw/zinc/51/48/41/944514841.db2.gz FCTAJJLXFDQGTN-GMAHTHKFSA-N 2 2 350.506 3.863 20 0 FHADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585482 944643643 /nfs/dbraw/zinc/64/36/43/944643643.db2.gz GUKJOMOLHYODAD-IFLJBQAJSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585482 944643649 /nfs/dbraw/zinc/64/36/49/944643649.db2.gz GUKJOMOLHYODAD-IFLJBQAJSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506585482 944643655 /nfs/dbraw/zinc/64/36/55/944643655.db2.gz GUKJOMOLHYODAD-IFLJBQAJSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506585482 944643661 /nfs/dbraw/zinc/64/36/61/944643661.db2.gz GUKJOMOLHYODAD-IFLJBQAJSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585483 944644036 /nfs/dbraw/zinc/64/40/36/944644036.db2.gz GUKJOMOLHYODAD-MJCUULBUSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506585483 944644039 /nfs/dbraw/zinc/64/40/39/944644039.db2.gz GUKJOMOLHYODAD-MJCUULBUSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506585483 944644044 /nfs/dbraw/zinc/64/40/44/944644044.db2.gz GUKJOMOLHYODAD-MJCUULBUSA-N 2 2 363.590 3.751 20 0 FHADLP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506585483 944644047 /nfs/dbraw/zinc/64/40/47/944644047.db2.gz GUKJOMOLHYODAD-MJCUULBUSA-N 2 2 363.590 3.751 20 0 FHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390702517 944736892 /nfs/dbraw/zinc/73/68/92/944736892.db2.gz UHFYSEDRQIBBDH-XZOQPEGZSA-N 2 2 352.522 3.888 20 0 FHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390702517 944736897 /nfs/dbraw/zinc/73/68/97/944736897.db2.gz UHFYSEDRQIBBDH-XZOQPEGZSA-N 2 2 352.522 3.888 20 0 FHADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)cc1 ZINC000364458351 944761027 /nfs/dbraw/zinc/76/10/27/944761027.db2.gz GUMYBMGCIYYWQK-QRWLVFNGSA-N 2 2 359.539 3.503 20 0 FHADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)cc1 ZINC000364458351 944761030 /nfs/dbraw/zinc/76/10/30/944761030.db2.gz GUMYBMGCIYYWQK-QRWLVFNGSA-N 2 2 359.539 3.503 20 0 FHADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454011 944887494 /nfs/dbraw/zinc/88/74/94/944887494.db2.gz PIBFRWYYLGQTJE-IFMALSPDSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454011 944887499 /nfs/dbraw/zinc/88/74/99/944887499.db2.gz PIBFRWYYLGQTJE-IFMALSPDSA-N 2 2 354.469 3.694 20 0 FHADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414941246 944910035 /nfs/dbraw/zinc/91/00/35/944910035.db2.gz LGLZUIANEOMDKN-ABAIWWIYSA-N 2 2 355.429 3.917 20 0 FHADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414945526 944976267 /nfs/dbraw/zinc/97/62/67/944976267.db2.gz RUHDEPJTXNRLFS-DYESRHJHSA-N 2 2 353.510 3.610 20 0 FHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497387 945042626 /nfs/dbraw/zinc/04/26/26/945042626.db2.gz MLGZABJFJOKGLK-QGZVFWFLSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497387 945042636 /nfs/dbraw/zinc/04/26/36/945042636.db2.gz MLGZABJFJOKGLK-QGZVFWFLSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497387 945042648 /nfs/dbraw/zinc/04/26/48/945042648.db2.gz MLGZABJFJOKGLK-QGZVFWFLSA-N 2 2 360.571 3.962 20 0 FHADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cnn(C(C)(C)C)c3)C2)s1 ZINC000660497387 945042657 /nfs/dbraw/zinc/04/26/57/945042657.db2.gz MLGZABJFJOKGLK-QGZVFWFLSA-N 2 2 360.571 3.962 20 0 FHADLP c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4ccccn4)nc3)CC2)cc1 ZINC000660680239 945379689 /nfs/dbraw/zinc/37/96/89/945379689.db2.gz SEUQJSKQFPLIHD-UHFFFAOYSA-N 2 2 358.489 3.898 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246837615 945571076 /nfs/dbraw/zinc/57/10/76/945571076.db2.gz ATVNBQKSZVSZMH-RTFZILSDSA-N 2 2 365.521 3.968 20 0 FHADLP COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246837615 945571084 /nfs/dbraw/zinc/57/10/84/945571084.db2.gz ATVNBQKSZVSZMH-RTFZILSDSA-N 2 2 365.521 3.968 20 0 FHADLP COC[C@@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000651716768 945756696 /nfs/dbraw/zinc/75/66/96/945756696.db2.gz HUIDYLAALUSMSE-AZUAARDMSA-N 2 2 362.558 3.927 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1F ZINC000651741691 945817517 /nfs/dbraw/zinc/81/75/17/945817517.db2.gz SMIKPUUPMALDAN-OAHLLOKOSA-N 2 2 373.472 3.553 20 0 FHADLP C[NH+]1CCC(CNc2nc(C(F)(F)F)cs2)([NH+]2CCCCC2)CC1 ZINC000301744125 945945028 /nfs/dbraw/zinc/94/50/28/945945028.db2.gz GKYGHWUQDGIRTM-UHFFFAOYSA-N 2 2 362.465 3.524 20 0 FHADLP Cc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC000073852508 945970135 /nfs/dbraw/zinc/97/01/35/945970135.db2.gz UARTVNRPZWOGMT-UHFFFAOYSA-N 2 2 360.299 3.911 20 0 FHADLP C[C@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301802765 945973469 /nfs/dbraw/zinc/97/34/69/945973469.db2.gz UCNJWDOGNBCLNP-STQMWFEESA-N 2 2 353.388 3.775 20 0 FHADLP CC(C)(C)n1ncc2c1nc[nH+]c2N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000301923117 946040003 /nfs/dbraw/zinc/04/00/03/946040003.db2.gz LNYKFEPWFNZRHO-UHFFFAOYSA-N 2 2 370.545 3.674 20 0 FHADLP O=C([C@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214406 946080790 /nfs/dbraw/zinc/08/07/90/946080790.db2.gz PJIUJOZRRSDGJU-IRLDBZIGSA-N 2 2 369.553 3.548 20 0 FHADLP O=C([C@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214406 946080798 /nfs/dbraw/zinc/08/07/98/946080798.db2.gz PJIUJOZRRSDGJU-IRLDBZIGSA-N 2 2 369.553 3.548 20 0 FHADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661454522 946132337 /nfs/dbraw/zinc/13/23/37/946132337.db2.gz JGYUYKKUWXZBEB-NPPFBWRTSA-N 2 2 368.521 3.932 20 0 FHADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661454522 946132343 /nfs/dbraw/zinc/13/23/43/946132343.db2.gz JGYUYKKUWXZBEB-NPPFBWRTSA-N 2 2 368.521 3.932 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000302666083 946274544 /nfs/dbraw/zinc/27/45/44/946274544.db2.gz QDOMDISGZJKFRJ-INIZCTEOSA-N 2 2 350.466 3.744 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302778317 946319818 /nfs/dbraw/zinc/31/98/18/946319818.db2.gz GYRHEJRJVQBAFZ-SFHVURJKSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000302778317 946319829 /nfs/dbraw/zinc/31/98/29/946319829.db2.gz GYRHEJRJVQBAFZ-SFHVURJKSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302778317 946319841 /nfs/dbraw/zinc/31/98/41/946319841.db2.gz GYRHEJRJVQBAFZ-SFHVURJKSA-N 2 2 365.525 3.921 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(N3CCCC3)nc[nH+]2)C1 ZINC000302778317 946319852 /nfs/dbraw/zinc/31/98/52/946319852.db2.gz GYRHEJRJVQBAFZ-SFHVURJKSA-N 2 2 365.525 3.921 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc2ccccc12 ZINC000441248238 946343642 /nfs/dbraw/zinc/34/36/42/946343642.db2.gz MMXRBPJGNPONCC-UIAACRFSSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc2ccccc12 ZINC000441248238 946343654 /nfs/dbraw/zinc/34/36/54/946343654.db2.gz MMXRBPJGNPONCC-UIAACRFSSA-N 2 2 373.928 3.880 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302920279 946385879 /nfs/dbraw/zinc/38/58/79/946385879.db2.gz ZCPZEABGQRSAKG-DNVCBOLYSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000302920279 946385889 /nfs/dbraw/zinc/38/58/89/946385889.db2.gz ZCPZEABGQRSAKG-DNVCBOLYSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302920279 946385897 /nfs/dbraw/zinc/38/58/97/946385897.db2.gz ZCPZEABGQRSAKG-DNVCBOLYSA-N 2 2 357.527 3.633 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(N3CCCC3)nc[nH+]2)[C@@H]1c1cccs1 ZINC000302920279 946385909 /nfs/dbraw/zinc/38/59/09/946385909.db2.gz ZCPZEABGQRSAKG-DNVCBOLYSA-N 2 2 357.527 3.633 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)C2 ZINC000475108086 946386981 /nfs/dbraw/zinc/38/69/81/946386981.db2.gz HGNKCCNHTVWETC-GOSISDBHSA-N 2 2 374.573 3.609 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)CC1CCCCC1)CC2 ZINC000475108086 946386993 /nfs/dbraw/zinc/38/69/93/946386993.db2.gz HGNKCCNHTVWETC-GOSISDBHSA-N 2 2 374.573 3.609 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500399 946678993 /nfs/dbraw/zinc/67/89/93/946678993.db2.gz GGKHYWBKMSMSMV-CQSZACIVSA-N 2 2 357.889 3.765 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ccc1-n1cc[nH+]c1)c1ccco1 ZINC000112628421 946705406 /nfs/dbraw/zinc/70/54/06/946705406.db2.gz UJIYLAVFGAFZTK-IBGZPJMESA-N 2 2 366.465 3.587 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000123863398 946915777 /nfs/dbraw/zinc/91/57/77/946915777.db2.gz ZEXMEADULZTULM-HXUWFJFHSA-N 2 2 369.534 3.525 20 0 FHADLP Cc1ccc(CCC[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000475352790 946931418 /nfs/dbraw/zinc/93/14/18/946931418.db2.gz JGUCKWSODWEGTO-UHFFFAOYSA-N 2 2 355.448 3.718 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)s1 ZINC000511922371 947005763 /nfs/dbraw/zinc/00/57/63/947005763.db2.gz KHGQKTDDUVFIMY-ZWKOTPCHSA-N 2 2 359.539 3.678 20 0 FHADLP CCCCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825272169 947140339 /nfs/dbraw/zinc/14/03/39/947140339.db2.gz XXEDNENKZBBHDN-KRWDZBQOSA-N 2 2 370.545 3.780 20 0 FHADLP Cc1cc(N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)nc(C)[nH+]1 ZINC000301082612 947167831 /nfs/dbraw/zinc/16/78/31/947167831.db2.gz INIVXCBEDKWACX-UHFFFAOYSA-N 2 2 356.473 3.985 20 0 FHADLP Fc1cc(Br)cc([C@H](CC2CC2)[NH2+]CCn2cc[nH+]c2)c1 ZINC000188189480 947226235 /nfs/dbraw/zinc/22/62/35/947226235.db2.gz NVMSEZPKXLWPJW-INIZCTEOSA-N 2 2 352.251 3.916 20 0 FHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2[nH+]1 ZINC000523424734 947237333 /nfs/dbraw/zinc/23/73/33/947237333.db2.gz LWEZEAFESKVZIM-GJZGRUSLSA-N 2 2 357.502 3.521 20 0 FHADLP Cc1ccc([C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000301232621 947243323 /nfs/dbraw/zinc/24/33/23/947243323.db2.gz ILYXPVPEIOPWPD-KRWDZBQOSA-N 2 2 355.486 3.617 20 0 FHADLP Cc1cc(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)nc(C(C)C)[nH+]1 ZINC000301234953 947244407 /nfs/dbraw/zinc/24/44/07/947244407.db2.gz COSCNDFKFXEKJS-UHFFFAOYSA-N 2 2 365.456 3.922 20 0 FHADLP Fc1ccc2c(NCc3ccccc3C[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301254955 947253284 /nfs/dbraw/zinc/25/32/84/947253284.db2.gz KCKXLHWQTTUKFB-UHFFFAOYSA-N 2 2 351.425 3.818 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(Br)cc(F)c1O ZINC000248485445 947301198 /nfs/dbraw/zinc/30/11/98/947301198.db2.gz DYKPCACFDIQEMS-CYZMBNFOSA-N 2 2 359.283 3.817 20 0 FHADLP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188264757 947501537 /nfs/dbraw/zinc/50/15/37/947501537.db2.gz QTNXTWUPZJXWIR-OAQYLSRUSA-N 2 2 360.448 3.693 20 0 FHADLP C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188264757 947501541 /nfs/dbraw/zinc/50/15/41/947501541.db2.gz QTNXTWUPZJXWIR-OAQYLSRUSA-N 2 2 360.448 3.693 20 0 FHADLP C[NH+](Cc1ccc(C(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188264757 947501546 /nfs/dbraw/zinc/50/15/46/947501546.db2.gz QTNXTWUPZJXWIR-OAQYLSRUSA-N 2 2 360.448 3.693 20 0 FHADLP C[NH+](Cc1ccc(C(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188264757 947501552 /nfs/dbraw/zinc/50/15/52/947501552.db2.gz QTNXTWUPZJXWIR-OAQYLSRUSA-N 2 2 360.448 3.693 20 0 FHADLP C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000237169700 947668168 /nfs/dbraw/zinc/66/81/68/947668168.db2.gz PDKAMEQHGMBDMT-UHFFFAOYSA-N 2 2 357.885 3.776 20 0 FHADLP C[NH+]1CCC2(CC1)CN(c1[nH+]ccc3cc(C(F)(F)F)ccc31)CCO2 ZINC000645385591 947688758 /nfs/dbraw/zinc/68/87/58/947688758.db2.gz KZLUDNOECITGLS-UHFFFAOYSA-N 2 2 365.399 3.555 20 0 FHADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000662290089 947711229 /nfs/dbraw/zinc/71/12/29/947711229.db2.gz IPXXEOAYPXVYPE-QGZVFWFLSA-N 2 2 363.933 3.607 20 0 FHADLP C[C@@H](c1ccccc1Br)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320437 947749056 /nfs/dbraw/zinc/74/90/56/947749056.db2.gz BSSCKZXPVBZAPN-GJZGRUSLSA-N 2 2 355.320 3.553 20 0 FHADLP C[C@@H](c1ccccc1Br)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320437 947749061 /nfs/dbraw/zinc/74/90/61/947749061.db2.gz BSSCKZXPVBZAPN-GJZGRUSLSA-N 2 2 355.320 3.553 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331027 947752272 /nfs/dbraw/zinc/75/22/72/947752272.db2.gz FEUYCPQOENOOAY-SHSGKGFPSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331027 947752282 /nfs/dbraw/zinc/75/22/82/947752282.db2.gz FEUYCPQOENOOAY-SHSGKGFPSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331027 947752292 /nfs/dbraw/zinc/75/22/92/947752292.db2.gz FEUYCPQOENOOAY-SHSGKGFPSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331027 947752302 /nfs/dbraw/zinc/75/23/02/947752302.db2.gz FEUYCPQOENOOAY-SHSGKGFPSA-N 2 2 362.517 3.899 20 0 FHADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372883 947796535 /nfs/dbraw/zinc/79/65/35/947796535.db2.gz ZUAPYDOEVRFOER-ROUUACIJSA-N 2 2 366.509 3.532 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[NH+](Cc4ccsc4)CC3)c2cc1OC ZINC000663356810 947840325 /nfs/dbraw/zinc/84/03/25/947840325.db2.gz QHRXKICNMGIZRC-UHFFFAOYSA-N 2 2 369.490 3.636 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000106276287 948127824 /nfs/dbraw/zinc/12/78/24/948127824.db2.gz ZFOKVOBWACHIBV-OAQYLSRUSA-N 2 2 353.510 3.851 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000106276287 948127829 /nfs/dbraw/zinc/12/78/29/948127829.db2.gz ZFOKVOBWACHIBV-OAQYLSRUSA-N 2 2 353.510 3.851 20 0 FHADLP CN(C)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000549623746 948288593 /nfs/dbraw/zinc/28/85/93/948288593.db2.gz FTNMCYWKSMIQCO-LJQANCHMSA-N 2 2 358.917 3.596 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427850 948393168 /nfs/dbraw/zinc/39/31/68/948393168.db2.gz GBDOCNXRUAJLDE-DLBZAZTESA-N 2 2 359.539 3.962 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427850 948393174 /nfs/dbraw/zinc/39/31/74/948393174.db2.gz GBDOCNXRUAJLDE-DLBZAZTESA-N 2 2 359.539 3.962 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3ncc(C(C)(C)C)s3)[nH+]c2)CC1 ZINC000279145579 948554410 /nfs/dbraw/zinc/55/44/10/948554410.db2.gz OILYOMWTNKHDBF-UHFFFAOYSA-N 2 2 373.570 3.978 20 0 FHADLP Cc1[nH+]c2ccc(Br)cc2c(N[C@H](C)Cn2cc[nH+]c2)c1C ZINC000520674092 948559573 /nfs/dbraw/zinc/55/95/73/948559573.db2.gz YLJUDMOFXXFTLY-LLVKDONJSA-N 2 2 359.271 3.733 20 0 FHADLP CCOP(=O)(CCCN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1)OCC ZINC000895113570 948705275 /nfs/dbraw/zinc/70/52/75/948705275.db2.gz XFTKASPOYANJJW-QAQDUYKDSA-N 2 2 369.446 3.814 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(Br)cn2)c2cccc[nH+]2)CC1 ZINC000895112908 948709637 /nfs/dbraw/zinc/70/96/37/948709637.db2.gz YXCFQUVRQJVUGP-KOMQPUFPSA-N 2 2 361.287 3.516 20 0 FHADLP COCc1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000536485516 948733582 /nfs/dbraw/zinc/73/35/82/948733582.db2.gz LREBLZWNEKWBFP-UHFFFAOYSA-N 2 2 371.550 3.778 20 0 FHADLP COCc1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cs1 ZINC000536485516 948733589 /nfs/dbraw/zinc/73/35/89/948733589.db2.gz LREBLZWNEKWBFP-UHFFFAOYSA-N 2 2 371.550 3.778 20 0 FHADLP CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)c[nH+]1 ZINC000108164524 209285157 /nfs/dbraw/zinc/28/51/57/209285157.db2.gz GXMZAIYKIFVKAC-UHFFFAOYSA-N 2 2 368.525 3.700 20 0 FHADLP Brc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc1 ZINC000601757518 567828752 /nfs/dbraw/zinc/82/87/52/567828752.db2.gz XKQLJOCZZWKCLR-UHFFFAOYSA-N 2 2 366.347 3.932 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)n1 ZINC000601929826 567878716 /nfs/dbraw/zinc/87/87/16/567878716.db2.gz CDOYCXNTGBQUNM-HZPDHXFCSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)n1 ZINC000601929826 567878718 /nfs/dbraw/zinc/87/87/18/567878718.db2.gz CDOYCXNTGBQUNM-HZPDHXFCSA-N 2 2 371.481 3.686 20 0 FHADLP CCc1cccc2c(CC[NH2+]C3CC[NH+](Cc4cccnc4)CC3)c[nH]c21 ZINC000161820357 567969544 /nfs/dbraw/zinc/96/95/44/567969544.db2.gz QAZCTZWMPFLLKM-UHFFFAOYSA-N 2 2 362.521 3.922 20 0 FHADLP CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434883 568004322 /nfs/dbraw/zinc/00/43/22/568004322.db2.gz DFYYCVJOKCLCIR-SJLPKXTDSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434883 568004324 /nfs/dbraw/zinc/00/43/24/568004324.db2.gz DFYYCVJOKCLCIR-SJLPKXTDSA-N 2 2 353.514 3.776 20 0 FHADLP COC(=O)c1csc(C[NH2+][C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000602667978 568014298 /nfs/dbraw/zinc/01/42/98/568014298.db2.gz RXURGAMBTPXRDY-MOPGFXCFSA-N 2 2 367.474 3.750 20 0 FHADLP CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469897 568102948 /nfs/dbraw/zinc/10/29/48/568102948.db2.gz ZEAVSUFYZHKNDX-FPOVZHCZSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469897 568102949 /nfs/dbraw/zinc/10/29/49/568102949.db2.gz ZEAVSUFYZHKNDX-FPOVZHCZSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469852 568103010 /nfs/dbraw/zinc/10/30/10/568103010.db2.gz SRWPNGSVSMWDBE-PMACEKPBSA-N 2 2 363.590 3.658 20 0 FHADLP CCC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469852 568103011 /nfs/dbraw/zinc/10/30/11/568103011.db2.gz SRWPNGSVSMWDBE-PMACEKPBSA-N 2 2 363.590 3.658 20 0 FHADLP CCC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469896 568103020 /nfs/dbraw/zinc/10/30/20/568103020.db2.gz ZEAVSUFYZHKNDX-CTNGQTDRSA-N 2 2 363.590 3.610 20 0 FHADLP CCC[C@H](CC1CCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469896 568103021 /nfs/dbraw/zinc/10/30/21/568103021.db2.gz ZEAVSUFYZHKNDX-CTNGQTDRSA-N 2 2 363.590 3.610 20 0 FHADLP c1cn(CCCc2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)c[nH+]1 ZINC000603635510 568131461 /nfs/dbraw/zinc/13/14/61/568131461.db2.gz KLCYQRGXDMSRGZ-UHFFFAOYSA-N 2 2 351.454 3.552 20 0 FHADLP Cn1c[nH+]cc1CC[NH2+]C1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000563100774 568186420 /nfs/dbraw/zinc/18/64/20/568186420.db2.gz PLFGEJXEKOFJJP-UHFFFAOYSA-N 2 2 357.502 3.843 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc2ncccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000328651019 571326137 /nfs/dbraw/zinc/32/61/37/571326137.db2.gz VTORPYMRAWBRDT-QGZVFWFLSA-N 2 2 352.507 3.611 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc2ncccc2c1)C[C@@H]1CC[NH2+]C1 ZINC000328651019 571326138 /nfs/dbraw/zinc/32/61/38/571326138.db2.gz VTORPYMRAWBRDT-QGZVFWFLSA-N 2 2 352.507 3.611 20 0 FHADLP Cc1cccc2cc[nH+]c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c12 ZINC001164650354 719316552 /nfs/dbraw/zinc/31/65/52/719316552.db2.gz CCXPIRUQQJIJOM-UHFFFAOYSA-N 2 2 363.509 3.945 20 0 FHADLP CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844755 720739905 /nfs/dbraw/zinc/73/99/05/720739905.db2.gz TVNDHUOGAMUBTL-UHFFFAOYSA-N 2 2 373.932 3.715 20 0 FHADLP CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164844755 720739908 /nfs/dbraw/zinc/73/99/08/720739908.db2.gz TVNDHUOGAMUBTL-UHFFFAOYSA-N 2 2 373.932 3.715 20 0 FHADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@@H]2C ZINC001164858776 721022522 /nfs/dbraw/zinc/02/25/22/721022522.db2.gz GSGNIGJGDPNXOP-MRXNPFEDSA-N 2 2 355.530 3.997 20 0 FHADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc(C(C)(C)C)c[nH+]1)[C@@H]2C ZINC001164858776 721022525 /nfs/dbraw/zinc/02/25/25/721022525.db2.gz GSGNIGJGDPNXOP-MRXNPFEDSA-N 2 2 355.530 3.997 20 0 FHADLP COCc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792326 721493290 /nfs/dbraw/zinc/49/32/90/721493290.db2.gz OQARRHYHKBVHOW-UHFFFAOYSA-N 2 2 366.509 3.504 20 0 FHADLP COCc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792326 721493293 /nfs/dbraw/zinc/49/32/93/721493293.db2.gz OQARRHYHKBVHOW-UHFFFAOYSA-N 2 2 366.509 3.504 20 0 FHADLP CC(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000507242164 945067382 /nfs/dbraw/zinc/06/73/82/945067382.db2.gz DOXYXJDNDLJRRI-BRIRTLKKSA-N 2 2 357.542 3.544 20 0 FHADLP CC(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000507242164 945067397 /nfs/dbraw/zinc/06/73/97/945067397.db2.gz DOXYXJDNDLJRRI-BRIRTLKKSA-N 2 2 357.542 3.544 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206769269 927794125 /nfs/dbraw/zinc/79/41/25/927794125.db2.gz NZQSFSLXWFIRIV-HIFRSBDPSA-N 2 2 355.320 3.796 20 0 FHADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206769269 927794133 /nfs/dbraw/zinc/79/41/33/927794133.db2.gz NZQSFSLXWFIRIV-HIFRSBDPSA-N 2 2 355.320 3.796 20 0 FHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(OC)s2)C[C@H]1C ZINC000538738555 927852755 /nfs/dbraw/zinc/85/27/55/927852755.db2.gz CQEAJFIHXBXIAS-VXGBXAGGSA-N 2 2 361.349 3.824 20 0 FHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c(OC)s2)C[C@H]1C ZINC000538738555 927852767 /nfs/dbraw/zinc/85/27/67/927852767.db2.gz CQEAJFIHXBXIAS-VXGBXAGGSA-N 2 2 361.349 3.824 20 0 FHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c(OC)s2)C[C@H]1C ZINC000538738555 927852780 /nfs/dbraw/zinc/85/27/80/927852780.db2.gz CQEAJFIHXBXIAS-VXGBXAGGSA-N 2 2 361.349 3.824 20 0 FHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c(OC)s2)C[C@H]1C ZINC000538738555 927852792 /nfs/dbraw/zinc/85/27/92/927852792.db2.gz CQEAJFIHXBXIAS-VXGBXAGGSA-N 2 2 361.349 3.824 20 0 FHADLP CC[N@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC001139966785 928649331 /nfs/dbraw/zinc/64/93/31/928649331.db2.gz FGGAVACBSMNUBR-UHFFFAOYSA-N 2 2 350.304 3.847 20 0 FHADLP CC[N@@H+](Cc1c[nH]c2cccc(Br)c12)C1CC[NH+](C)CC1 ZINC001139966785 928649337 /nfs/dbraw/zinc/64/93/37/928649337.db2.gz FGGAVACBSMNUBR-UHFFFAOYSA-N 2 2 350.304 3.847 20 0 FHADLP C(C[NH+]1CCC2(CCCCC2)CC1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000799736569 928676737 /nfs/dbraw/zinc/67/67/37/928676737.db2.gz XLZBUXLPFXDBAU-UHFFFAOYSA-N 2 2 350.547 3.556 20 0 FHADLP Cc1ccc(C)c([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000180211405 929420377 /nfs/dbraw/zinc/42/03/77/929420377.db2.gz DOFVQJKRWZTTKQ-HSZRJFAPSA-N 2 2 352.522 3.829 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000079932082 929582259 /nfs/dbraw/zinc/58/22/59/929582259.db2.gz UBLWLQWYALZQRO-UHFFFAOYSA-N 2 2 361.852 3.740 20 0 FHADLP CN(Cc1cccc(Cl)c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683668107 929738320 /nfs/dbraw/zinc/73/83/20/929738320.db2.gz ROBBZBJTGSPDQK-INIZCTEOSA-N 2 2 356.341 3.594 20 0 FHADLP CN(Cc1cccc(Cl)c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683668107 929738324 /nfs/dbraw/zinc/73/83/24/929738324.db2.gz ROBBZBJTGSPDQK-INIZCTEOSA-N 2 2 356.341 3.594 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000583348880 937364982 /nfs/dbraw/zinc/36/49/82/937364982.db2.gz IZZCTNDFZPDKSK-UHFFFAOYSA-N 2 2 351.498 3.888 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000583348880 937364986 /nfs/dbraw/zinc/36/49/86/937364986.db2.gz IZZCTNDFZPDKSK-UHFFFAOYSA-N 2 2 351.498 3.888 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000123293231 929974726 /nfs/dbraw/zinc/97/47/26/929974726.db2.gz BJULOHAFINWRMZ-CVEARBPZSA-N 2 2 373.464 3.568 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000123293684 929975219 /nfs/dbraw/zinc/97/52/19/929975219.db2.gz BJULOHAFINWRMZ-HZPDHXFCSA-N 2 2 373.464 3.568 20 0 FHADLP C[C@@H]1CN(c2ccc(NC3=CC[C@@H]([NH+]4CCCC4)CC3)c[nH+]2)C[C@H](C)O1 ZINC001210706699 930186452 /nfs/dbraw/zinc/18/64/52/930186452.db2.gz ZBKPHYVEBPUEOW-FUHIMQAGSA-N 2 2 356.514 3.639 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089467 930234760 /nfs/dbraw/zinc/23/47/60/930234760.db2.gz FZPBBBLCOATTGJ-UYAOXDASSA-N 2 2 360.461 3.589 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089467 930234766 /nfs/dbraw/zinc/23/47/66/930234766.db2.gz FZPBBBLCOATTGJ-UYAOXDASSA-N 2 2 360.461 3.589 20 0 FHADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000564585606 930339725 /nfs/dbraw/zinc/33/97/25/930339725.db2.gz MDHFPNLFDYGYBO-PDDLGQBUSA-N 2 2 355.526 3.529 20 0 FHADLP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000580321258 930496511 /nfs/dbraw/zinc/49/65/11/930496511.db2.gz YQZMGGZPGYZVCE-LBPRGKRZSA-N 2 2 352.301 3.985 20 0 FHADLP CCC[N@H+](Cc1nc2ccccc2c(C)c1C(=O)OCC)C1CC[NH2+]CC1 ZINC000580327317 930503758 /nfs/dbraw/zinc/50/37/58/930503758.db2.gz HGNUBNBMKLCVPG-UHFFFAOYSA-N 2 2 369.509 3.684 20 0 FHADLP CCC[N@@H+](Cc1nc2ccccc2c(C)c1C(=O)OCC)C1CC[NH2+]CC1 ZINC000580327317 930503762 /nfs/dbraw/zinc/50/37/62/930503762.db2.gz HGNUBNBMKLCVPG-UHFFFAOYSA-N 2 2 369.509 3.684 20 0 FHADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1nc(Br)cs1 ZINC000834526755 930540559 /nfs/dbraw/zinc/54/05/59/930540559.db2.gz OMLLRRWTHCRIOL-QWRGUYRKSA-N 2 2 357.321 3.868 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000398040121 930631799 /nfs/dbraw/zinc/63/17/99/930631799.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 2 363.549 3.761 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000398040121 930631810 /nfs/dbraw/zinc/63/18/10/930631810.db2.gz RMAOZGFBKZCLPP-HUVFLSCGSA-N 2 2 363.549 3.761 20 0 FHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3C)CC1)n2C ZINC000471595962 930867674 /nfs/dbraw/zinc/86/76/74/930867674.db2.gz VWTPVEUWOWIGMB-UZLBHIALSA-N 2 2 370.541 3.715 20 0 FHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3C)CC1)n2C ZINC000471595958 930868275 /nfs/dbraw/zinc/86/82/75/930868275.db2.gz VWTPVEUWOWIGMB-OXJNMPFZSA-N 2 2 370.541 3.715 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)[nH+]1 ZINC000580876561 931288064 /nfs/dbraw/zinc/28/80/64/931288064.db2.gz SFKXNJMWDVFWFK-HXUWFJFHSA-N 2 2 366.509 3.693 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)[nH+]1 ZINC000580876561 931288071 /nfs/dbraw/zinc/28/80/71/931288071.db2.gz SFKXNJMWDVFWFK-HXUWFJFHSA-N 2 2 366.509 3.693 20 0 FHADLP c1ccc(C[C@H]2CC[NH+]2C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326340 /nfs/dbraw/zinc/32/63/40/931326340.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[NH+]2C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326344 /nfs/dbraw/zinc/32/63/44/931326344.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[N@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326350 /nfs/dbraw/zinc/32/63/50/931326350.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[N@@H+]2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907549 931326355 /nfs/dbraw/zinc/32/63/55/931326355.db2.gz ORXYKIDEZLXNBV-PKTZIBPZSA-N 2 2 350.506 3.595 20 0 FHADLP COCCOc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000580919079 931344140 /nfs/dbraw/zinc/34/41/40/931344140.db2.gz OAXIRDLYXMEXDX-UHFFFAOYSA-N 2 2 368.521 3.808 20 0 FHADLP COCCOc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000580919079 931344145 /nfs/dbraw/zinc/34/41/45/931344145.db2.gz OAXIRDLYXMEXDX-UHFFFAOYSA-N 2 2 368.521 3.808 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027589 931475464 /nfs/dbraw/zinc/47/54/64/931475464.db2.gz FOCYSJPJMDIICU-UYAOXDASSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1-n1ccnn1 ZINC000581027589 931475469 /nfs/dbraw/zinc/47/54/69/931475469.db2.gz FOCYSJPJMDIICU-UYAOXDASSA-N 2 2 361.493 3.583 20 0 FHADLP Fc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1F ZINC000569250956 931618740 /nfs/dbraw/zinc/61/87/40/931618740.db2.gz WBEJCHDAHSMKPN-OAHLLOKOSA-N 2 2 359.258 3.691 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000581157641 931628229 /nfs/dbraw/zinc/62/82/29/931628229.db2.gz CHGKFZCGWORBDN-UHFFFAOYSA-N 2 2 371.488 3.947 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000581157641 931628231 /nfs/dbraw/zinc/62/82/31/931628231.db2.gz CHGKFZCGWORBDN-UHFFFAOYSA-N 2 2 371.488 3.947 20 0 FHADLP C[N@H+](CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000684165410 931695200 /nfs/dbraw/zinc/69/52/00/931695200.db2.gz HRUFFUQWFWIUJL-UHFFFAOYSA-N 2 2 360.546 3.557 20 0 FHADLP C[N@@H+](CCC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000684165410 931695206 /nfs/dbraw/zinc/69/52/06/931695206.db2.gz HRUFFUQWFWIUJL-UHFFFAOYSA-N 2 2 360.546 3.557 20 0 FHADLP C[N@H+](Cc1ncc(-c2cccc(Br)c2)o1)CC(C)(C)C[NH3+] ZINC000430576520 931929954 /nfs/dbraw/zinc/92/99/54/931929954.db2.gz MKPJFCKJEKMXIF-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP C[N@@H+](Cc1ncc(-c2cccc(Br)c2)o1)CC(C)(C)C[NH3+] ZINC000430576520 931929956 /nfs/dbraw/zinc/92/99/56/931929956.db2.gz MKPJFCKJEKMXIF-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CC1 ZINC000430575572 931930736 /nfs/dbraw/zinc/93/07/36/931930736.db2.gz VKLZYECGWWLYDU-HXUWFJFHSA-N 2 2 373.884 3.788 20 0 FHADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430614034 932263977 /nfs/dbraw/zinc/26/39/77/932263977.db2.gz XLPCLGVTUXZJQU-QGZVFWFLSA-N 2 2 353.466 3.621 20 0 FHADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430614034 932263979 /nfs/dbraw/zinc/26/39/79/932263979.db2.gz XLPCLGVTUXZJQU-QGZVFWFLSA-N 2 2 353.466 3.621 20 0 FHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000090192003 932285488 /nfs/dbraw/zinc/28/54/88/932285488.db2.gz PRZXEKJPJBLKML-SVFBPWRDSA-N 2 2 360.567 3.684 20 0 FHADLP CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[N@H+]1Cc1ccccc1 ZINC000090192003 932285491 /nfs/dbraw/zinc/28/54/91/932285491.db2.gz PRZXEKJPJBLKML-SVFBPWRDSA-N 2 2 360.567 3.684 20 0 FHADLP CCOc1ccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000656770570 932406214 /nfs/dbraw/zinc/40/62/14/932406214.db2.gz HLMYBZAGOWJOKM-IBGZPJMESA-N 2 2 354.498 3.541 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1F ZINC000656790671 932426873 /nfs/dbraw/zinc/42/68/73/932426873.db2.gz IDGXORFMDJURQY-ICSRJNTNSA-N 2 2 365.452 3.618 20 0 FHADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3cccc(F)c3)s2)cn1 ZINC000656790393 932427434 /nfs/dbraw/zinc/42/74/34/932427434.db2.gz PPMBJQICHPXQDR-RTBURBONSA-N 2 2 370.497 3.523 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721196 933105623 /nfs/dbraw/zinc/10/56/23/933105623.db2.gz KQDCYKHYLUOTJL-CJNGLKHVSA-N 2 2 355.320 3.810 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721196 933105627 /nfs/dbraw/zinc/10/56/27/933105627.db2.gz KQDCYKHYLUOTJL-CJNGLKHVSA-N 2 2 355.320 3.810 20 0 FHADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000510528923 933189298 /nfs/dbraw/zinc/18/92/98/933189298.db2.gz ZIJRYNQVWRGKFZ-UWJYYQICSA-N 2 2 362.477 3.602 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000510531697 933192725 /nfs/dbraw/zinc/19/27/25/933192725.db2.gz CLUKNOTUEAAINY-HNNXBMFYSA-N 2 2 355.873 3.937 20 0 FHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000510539253 933200682 /nfs/dbraw/zinc/20/06/82/933200682.db2.gz MLUDXDQOUHMIKP-LAUBAEHRSA-N 2 2 362.477 3.602 20 0 FHADLP C[NH2+]CC1CC[NH+](Cc2csc(N(C(C)=O)c3ccc(C)cc3)n2)CC1 ZINC000430973502 933552722 /nfs/dbraw/zinc/55/27/22/933552722.db2.gz XOJWCZCQVSVBFZ-UHFFFAOYSA-N 2 2 372.538 3.568 20 0 FHADLP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000891842405 933560380 /nfs/dbraw/zinc/56/03/80/933560380.db2.gz LRSRHZCBPQYUJH-FQEVSTJZSA-N 2 2 362.518 3.557 20 0 FHADLP CCC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000431066683 933769977 /nfs/dbraw/zinc/76/99/77/933769977.db2.gz AXTQUVWBXYMRLE-UHFFFAOYSA-N 2 2 365.521 3.680 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000431066683 933769982 /nfs/dbraw/zinc/76/99/82/933769982.db2.gz AXTQUVWBXYMRLE-UHFFFAOYSA-N 2 2 365.521 3.680 20 0 FHADLP Fc1ccc(-c2nc(CC[NH2+]C3CCN(c4cccc[nH+]4)CC3)co2)cc1 ZINC000091739017 933883053 /nfs/dbraw/zinc/88/30/53/933883053.db2.gz OLIDVZSDKCBHSY-UHFFFAOYSA-N 2 2 366.440 3.677 20 0 FHADLP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000558621023 933943723 /nfs/dbraw/zinc/94/37/23/933943723.db2.gz AAQWMQDJPOZACD-QGZVFWFLSA-N 2 2 365.315 3.737 20 0 FHADLP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431162442 933975236 /nfs/dbraw/zinc/97/52/36/933975236.db2.gz SJSFAKJKETVADC-OAHLLOKOSA-N 2 2 352.356 3.633 20 0 FHADLP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431162442 933975244 /nfs/dbraw/zinc/97/52/44/933975244.db2.gz SJSFAKJKETVADC-OAHLLOKOSA-N 2 2 352.356 3.633 20 0 FHADLP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)Cn1cc[nH+]c1 ZINC000092564312 934094523 /nfs/dbraw/zinc/09/45/23/934094523.db2.gz NHPMFHOIRSEXEL-NSHDSACASA-N 2 2 374.229 3.673 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000092587711 934100068 /nfs/dbraw/zinc/10/00/68/934100068.db2.gz YSKKPBXDXHBRGT-NRFANRHFSA-N 2 2 356.558 3.626 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000092587711 934100071 /nfs/dbraw/zinc/10/00/71/934100071.db2.gz YSKKPBXDXHBRGT-NRFANRHFSA-N 2 2 356.558 3.626 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093693263 934166415 /nfs/dbraw/zinc/16/64/15/934166415.db2.gz HXIGOICASXOYIG-IBGZPJMESA-N 2 2 353.510 3.824 20 0 FHADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093693263 934166418 /nfs/dbraw/zinc/16/64/18/934166418.db2.gz HXIGOICASXOYIG-IBGZPJMESA-N 2 2 353.510 3.824 20 0 FHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000934011047 934424366 /nfs/dbraw/zinc/42/43/66/934424366.db2.gz IRPKIWXAEGXLDX-HSZRJFAPSA-N 2 2 374.488 3.691 20 0 FHADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000934011047 934424368 /nfs/dbraw/zinc/42/43/68/934424368.db2.gz IRPKIWXAEGXLDX-HSZRJFAPSA-N 2 2 374.488 3.691 20 0 FHADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000533831198 934838179 /nfs/dbraw/zinc/83/81/79/934838179.db2.gz NYSAZAGEJJYPNJ-MSOLQXFVSA-N 2 2 362.514 3.880 20 0 FHADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000533831198 934838182 /nfs/dbraw/zinc/83/81/82/934838182.db2.gz NYSAZAGEJJYPNJ-MSOLQXFVSA-N 2 2 362.514 3.880 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537959805 934869784 /nfs/dbraw/zinc/86/97/84/934869784.db2.gz VMQWFDWSKQYFFP-FUHWJXTLSA-N 2 2 357.523 3.968 20 0 FHADLP C[C@H]([NH2+][C@H]1CCOC2(CCSCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537959807 934870357 /nfs/dbraw/zinc/87/03/57/934870357.db2.gz VMQWFDWSKQYFFP-WMZOPIPTSA-N 2 2 357.523 3.968 20 0 FHADLP CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684683939 934942054 /nfs/dbraw/zinc/94/20/54/934942054.db2.gz UYVYCHYKBOVWGU-FQEVSTJZSA-N 2 2 356.514 3.571 20 0 FHADLP CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684683939 934942056 /nfs/dbraw/zinc/94/20/56/934942056.db2.gz UYVYCHYKBOVWGU-FQEVSTJZSA-N 2 2 356.514 3.571 20 0 FHADLP CC[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C)cc1 ZINC000157739784 935177314 /nfs/dbraw/zinc/17/73/14/935177314.db2.gz HHTWHIUKAREUBX-LJQANCHMSA-N 2 2 371.569 3.554 20 0 FHADLP COc1ccc2cc(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000582132294 935310479 /nfs/dbraw/zinc/31/04/79/935310479.db2.gz IGRDJJSCLDPRSZ-OAQYLSRUSA-N 2 2 354.494 3.535 20 0 FHADLP COc1ccc2cc(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)ccc2c1 ZINC000582132294 935310486 /nfs/dbraw/zinc/31/04/86/935310486.db2.gz IGRDJJSCLDPRSZ-OAQYLSRUSA-N 2 2 354.494 3.535 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548690283 935320845 /nfs/dbraw/zinc/32/08/45/935320845.db2.gz RCHMFOQNSPANHY-OAHLLOKOSA-N 2 2 367.522 3.848 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388335 935502816 /nfs/dbraw/zinc/50/28/16/935502816.db2.gz JKXZEMYNLCBWQX-XLIONFOSSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388335 935502819 /nfs/dbraw/zinc/50/28/19/935502819.db2.gz JKXZEMYNLCBWQX-XLIONFOSSA-N 2 2 352.526 3.830 20 0 FHADLP Cc1ccc(-c2noc(CCC[NH+]3CCC(n4cc[nH+]c4)CC3)n2)cc1F ZINC000109794562 935521701 /nfs/dbraw/zinc/52/17/01/935521701.db2.gz NGYSMUPTUABYEU-UHFFFAOYSA-N 2 2 369.444 3.650 20 0 FHADLP OCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000647250323 935624582 /nfs/dbraw/zinc/62/45/82/935624582.db2.gz YJTUUJCQBNDGMR-QFIPXVFZSA-N 2 2 374.475 3.685 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431428276 935780262 /nfs/dbraw/zinc/78/02/62/935780262.db2.gz STLDQVJARBWZSY-AWEZNQCLSA-N 2 2 358.486 3.520 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431428276 935780267 /nfs/dbraw/zinc/78/02/67/935780267.db2.gz STLDQVJARBWZSY-AWEZNQCLSA-N 2 2 358.486 3.520 20 0 FHADLP Cn1cc(-c2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)c(F)c3)s2)cn1 ZINC000375712714 935785130 /nfs/dbraw/zinc/78/51/30/935785130.db2.gz UKDGSEJRCWBFCA-UHFFFAOYSA-N 2 2 367.453 3.763 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431434838 935790769 /nfs/dbraw/zinc/79/07/69/935790769.db2.gz XHRLXDOWGFDEBQ-OAHLLOKOSA-N 2 2 352.457 3.772 20 0 FHADLP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000152807636 935870489 /nfs/dbraw/zinc/87/04/89/935870489.db2.gz KSIMLYGMJQCGQH-JXFKEZNVSA-N 2 2 357.473 3.620 20 0 FHADLP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000152807636 935870491 /nfs/dbraw/zinc/87/04/91/935870491.db2.gz KSIMLYGMJQCGQH-JXFKEZNVSA-N 2 2 357.473 3.620 20 0 FHADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000152807567 935870530 /nfs/dbraw/zinc/87/05/30/935870530.db2.gz KSIMLYGMJQCGQH-OXJNMPFZSA-N 2 2 357.473 3.620 20 0 FHADLP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1F ZINC000152807567 935870532 /nfs/dbraw/zinc/87/05/32/935870532.db2.gz KSIMLYGMJQCGQH-OXJNMPFZSA-N 2 2 357.473 3.620 20 0 FHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077980417 936061126 /nfs/dbraw/zinc/06/11/26/936061126.db2.gz FQFPWPHELMNXLZ-NRFANRHFSA-N 2 2 366.509 3.527 20 0 FHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077980417 936061131 /nfs/dbraw/zinc/06/11/31/936061131.db2.gz FQFPWPHELMNXLZ-NRFANRHFSA-N 2 2 366.509 3.527 20 0 FHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441462 938255452 /nfs/dbraw/zinc/25/54/52/938255452.db2.gz IQAGTRQVWQZJJI-PMACEKPBSA-N 2 2 368.525 3.899 20 0 FHADLP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441462 938255453 /nfs/dbraw/zinc/25/54/53/938255453.db2.gz IQAGTRQVWQZJJI-PMACEKPBSA-N 2 2 368.525 3.899 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067853 938301279 /nfs/dbraw/zinc/30/12/79/938301279.db2.gz DFKNBSJUWYFMIB-MJGOQNOKSA-N 2 2 374.488 3.904 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536067853 938301281 /nfs/dbraw/zinc/30/12/81/938301281.db2.gz DFKNBSJUWYFMIB-MJGOQNOKSA-N 2 2 374.488 3.904 20 0 FHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151133293 938400664 /nfs/dbraw/zinc/40/06/64/938400664.db2.gz YTQNJTOEGAHSKA-NRFANRHFSA-N 2 2 353.441 3.995 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650760462 938434948 /nfs/dbraw/zinc/43/49/48/938434948.db2.gz DQWFAENYQXCLDH-CBQOVEMMSA-N 2 2 364.537 3.699 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650760462 938434950 /nfs/dbraw/zinc/43/49/50/938434950.db2.gz DQWFAENYQXCLDH-CBQOVEMMSA-N 2 2 364.537 3.699 20 0 FHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OCc1ccccc1 ZINC000151360512 938534131 /nfs/dbraw/zinc/53/41/31/938534131.db2.gz OTQBPNQGRUCZBL-LJQANCHMSA-N 2 2 368.521 3.763 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)F)nc1 ZINC000657823024 938573052 /nfs/dbraw/zinc/57/30/52/938573052.db2.gz GZINNHRBIVQVKT-OAHLLOKOSA-N 2 2 361.436 3.702 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825730 938582867 /nfs/dbraw/zinc/58/28/67/938582867.db2.gz BRYWZPGHFHXBGI-OAHLLOKOSA-N 2 2 374.326 3.943 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825730 938582868 /nfs/dbraw/zinc/58/28/68/938582868.db2.gz BRYWZPGHFHXBGI-OAHLLOKOSA-N 2 2 374.326 3.943 20 0 FHADLP CCO[C@H](C)c1noc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000159006147 938615067 /nfs/dbraw/zinc/61/50/67/938615067.db2.gz AISZTENIILAGMI-DLBZAZTESA-N 2 2 364.534 3.644 20 0 FHADLP CCO[C@H](C)c1noc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000159006147 938615068 /nfs/dbraw/zinc/61/50/68/938615068.db2.gz AISZTENIILAGMI-DLBZAZTESA-N 2 2 364.534 3.644 20 0 FHADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000151724046 938645817 /nfs/dbraw/zinc/64/58/17/938645817.db2.gz JBOIVNIEXGPPRC-LJQANCHMSA-N 2 2 371.491 3.556 20 0 FHADLP CCn1c(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)nc2c1cccc2F ZINC000080968650 938710842 /nfs/dbraw/zinc/71/08/42/938710842.db2.gz OHSBGOUMEVQHRX-UHFFFAOYSA-N 2 2 367.472 3.691 20 0 FHADLP CCn1c(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)nc2c1cccc2F ZINC000080968650 938710844 /nfs/dbraw/zinc/71/08/44/938710844.db2.gz OHSBGOUMEVQHRX-UHFFFAOYSA-N 2 2 367.472 3.691 20 0 FHADLP c1cn(Cc2ccccc2C[NH2+]Cc2cnc(-c3ccccn3)s2)c[nH+]1 ZINC000084651359 938830306 /nfs/dbraw/zinc/83/03/06/938830306.db2.gz CCLMHZTXTAGANA-UHFFFAOYSA-N 2 2 361.474 3.740 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CO2 ZINC000090452125 938874033 /nfs/dbraw/zinc/87/40/33/938874033.db2.gz MZKDNVWFJWSBMD-OAQYLSRUSA-N 2 2 354.469 3.864 20 0 FHADLP CC(C)[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000091281616 938899197 /nfs/dbraw/zinc/89/91/97/938899197.db2.gz DSAFIGIWSYCHEM-JOCHJYFZSA-N 2 2 352.526 3.581 20 0 FHADLP CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092071755 938910497 /nfs/dbraw/zinc/91/04/97/938910497.db2.gz WHYYMUASXAMDNY-AWEZNQCLSA-N 2 2 351.397 3.789 20 0 FHADLP CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1OC(F)F ZINC000092071755 938910498 /nfs/dbraw/zinc/91/04/98/938910498.db2.gz WHYYMUASXAMDNY-AWEZNQCLSA-N 2 2 351.397 3.789 20 0 FHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770691 938930155 /nfs/dbraw/zinc/93/01/55/938930155.db2.gz PQRICPCQZBIXSN-IBGZPJMESA-N 2 2 366.553 3.999 20 0 FHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770691 938930156 /nfs/dbraw/zinc/93/01/56/938930156.db2.gz PQRICPCQZBIXSN-IBGZPJMESA-N 2 2 366.553 3.999 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770691 938930157 /nfs/dbraw/zinc/93/01/57/938930157.db2.gz PQRICPCQZBIXSN-IBGZPJMESA-N 2 2 366.553 3.999 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000093770691 938930159 /nfs/dbraw/zinc/93/01/59/938930159.db2.gz PQRICPCQZBIXSN-IBGZPJMESA-N 2 2 366.553 3.999 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000144682537 938951633 /nfs/dbraw/zinc/95/16/33/938951633.db2.gz JUEWOZZEVXTOKI-UYAOXDASSA-N 2 2 354.498 3.503 20 0 FHADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)s2)cc1 ZINC000668741717 938982263 /nfs/dbraw/zinc/98/22/63/938982263.db2.gz ZBPBNFNXTXGOLM-IBGZPJMESA-N 2 2 356.535 3.755 20 0 FHADLP Cc1ccc(-c2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)s2)cc1 ZINC000668741717 938982264 /nfs/dbraw/zinc/98/22/64/938982264.db2.gz ZBPBNFNXTXGOLM-IBGZPJMESA-N 2 2 356.535 3.755 20 0 FHADLP c1c2ccccc2[nH]c1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000685441994 938986739 /nfs/dbraw/zinc/98/67/39/938986739.db2.gz UQGIOMAQJFZBTO-HSZRJFAPSA-N 2 2 374.532 3.560 20 0 FHADLP c1c2ccccc2[nH]c1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000685441994 938986740 /nfs/dbraw/zinc/98/67/40/938986740.db2.gz UQGIOMAQJFZBTO-HSZRJFAPSA-N 2 2 374.532 3.560 20 0 FHADLP COc1cc(Br)ccc1CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000182294973 939009299 /nfs/dbraw/zinc/00/92/99/939009299.db2.gz GQNGTUOSRJLOSN-UHFFFAOYSA-N 2 2 366.303 3.609 20 0 FHADLP COc1cc(Br)ccc1CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000182294973 939009300 /nfs/dbraw/zinc/00/93/00/939009300.db2.gz GQNGTUOSRJLOSN-UHFFFAOYSA-N 2 2 366.303 3.609 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1)C(C)C ZINC000136158175 939012823 /nfs/dbraw/zinc/01/28/23/939012823.db2.gz CCHYGISZVFUKCU-UHFFFAOYSA-N 2 2 354.498 3.544 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1)C(C)C ZINC000136158175 939012824 /nfs/dbraw/zinc/01/28/24/939012824.db2.gz CCHYGISZVFUKCU-UHFFFAOYSA-N 2 2 354.498 3.544 20 0 FHADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785509 939019018 /nfs/dbraw/zinc/01/90/18/939019018.db2.gz ARWKOILNULWORK-TZIWHRDSSA-N 2 2 367.541 3.928 20 0 FHADLP c1c[nH]c([C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785509 939019019 /nfs/dbraw/zinc/01/90/19/939019019.db2.gz ARWKOILNULWORK-TZIWHRDSSA-N 2 2 367.541 3.928 20 0 FHADLP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1=O ZINC000658108187 939028457 /nfs/dbraw/zinc/02/84/57/939028457.db2.gz RQXZEZSDWWBHMA-LJQANCHMSA-N 2 2 371.569 3.843 20 0 FHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293824 939100716 /nfs/dbraw/zinc/10/07/16/939100716.db2.gz DBERPOBGLVHAMB-BEFAXECRSA-N 2 2 370.459 3.869 20 0 FHADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316345 939109126 /nfs/dbraw/zinc/10/91/26/939109126.db2.gz DZOZYLILMUNFLU-UYAOXDASSA-N 2 2 352.526 3.856 20 0 FHADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316345 939109129 /nfs/dbraw/zinc/10/91/29/939109129.db2.gz DZOZYLILMUNFLU-UYAOXDASSA-N 2 2 352.526 3.856 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316416 939109588 /nfs/dbraw/zinc/10/95/88/939109588.db2.gz FTONREXGQFOWOY-RLLQIKCJSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316416 939109591 /nfs/dbraw/zinc/10/95/91/939109591.db2.gz FTONREXGQFOWOY-RLLQIKCJSA-N 2 2 350.510 3.781 20 0 FHADLP Fc1ccc(OC(F)F)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000658327939 939113212 /nfs/dbraw/zinc/11/32/12/939113212.db2.gz SWYOWWVFXMFYNZ-UHFFFAOYSA-N 2 2 351.372 3.581 20 0 FHADLP COc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c(Cl)c1 ZINC000507467954 945255223 /nfs/dbraw/zinc/25/52/23/945255223.db2.gz GKILTSMHLXRHOJ-UHFFFAOYSA-N 2 2 364.839 3.898 20 0 FHADLP CC(C)(C)c1nc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cs1 ZINC000507506752 945287761 /nfs/dbraw/zinc/28/77/61/945287761.db2.gz HJMMCORAEDSRBS-UHFFFAOYSA-N 2 2 363.493 3.990 20 0 FHADLP Clc1nc(Sc2ccccc2)sc1C[NH2+]CCn1cc[nH+]c1 ZINC000065888645 940031615 /nfs/dbraw/zinc/03/16/15/940031615.db2.gz LWGUILWISGTOQT-UHFFFAOYSA-N 2 2 350.900 3.934 20 0 FHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000414096981 940502423 /nfs/dbraw/zinc/50/24/23/940502423.db2.gz MLXVJENVGYYKKO-FUHWJXTLSA-N 2 2 354.498 3.712 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949279 /nfs/dbraw/zinc/94/92/79/940949279.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 3 2 355.570 3.849 20 0 FHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949280 /nfs/dbraw/zinc/94/92/80/940949280.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949283 /nfs/dbraw/zinc/94/92/83/940949283.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582185 940949285 /nfs/dbraw/zinc/94/92/85/940949285.db2.gz PZGLUNBDKNUPOE-GOTSBHOMSA-N 3 2 355.570 3.849 20 0 FHADLP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000647550416 941071588 /nfs/dbraw/zinc/07/15/88/941071588.db2.gz PULLIFLSHMJKRR-CZUORRHYSA-N 2 2 356.341 3.545 20 0 FHADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000892659183 941093230 /nfs/dbraw/zinc/09/32/30/941093230.db2.gz QYAQVVTUGMTGSP-UHFFFAOYSA-N 2 2 350.488 3.862 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530459 941115843 /nfs/dbraw/zinc/11/58/43/941115843.db2.gz OUUDJNZZVUVBPL-CQSZACIVSA-N 2 2 371.407 3.687 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530459 941115845 /nfs/dbraw/zinc/11/58/45/941115845.db2.gz OUUDJNZZVUVBPL-CQSZACIVSA-N 2 2 371.407 3.687 20 0 FHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000311253105 941151742 /nfs/dbraw/zinc/15/17/42/941151742.db2.gz HNYJBOKJOHIOAM-KZNAEPCWSA-N 2 2 364.534 3.820 20 0 FHADLP CCc1noc(CC)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000166974793 941270684 /nfs/dbraw/zinc/27/06/84/941270684.db2.gz NUDWAZHPCDKFAX-UHFFFAOYSA-N 2 2 356.514 3.624 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000376647809 941371460 /nfs/dbraw/zinc/37/14/60/941371460.db2.gz APWVUZSGNHVSMF-WOJBJXKFSA-N 2 2 367.493 3.533 20 0 FHADLP Cc1cc(N[C@H](C)CCN2CC[NH+](C)CC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000472671415 941540664 /nfs/dbraw/zinc/54/06/64/941540664.db2.gz USFWGMSRNDRKMO-OAHLLOKOSA-N 2 2 360.933 3.943 20 0 FHADLP c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163702271 941584922 /nfs/dbraw/zinc/58/49/22/941584922.db2.gz HIMDNHOSHGJKBF-HXUWFJFHSA-N 2 2 354.519 3.846 20 0 FHADLP Clc1cc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000415079448 941588397 /nfs/dbraw/zinc/58/83/97/941588397.db2.gz HXCXQZAXUZHADV-WMZOPIPTSA-N 2 2 358.869 3.694 20 0 FHADLP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415083798 941589705 /nfs/dbraw/zinc/58/97/05/941589705.db2.gz NXCYPVRXRJSKEK-SJORKVTESA-N 2 2 365.399 3.606 20 0 FHADLP CCC[N@H+](CCc1ccccn1)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000377620898 941851505 /nfs/dbraw/zinc/85/15/05/941851505.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 2 2 358.555 3.759 20 0 FHADLP CCC[N@@H+](CCc1ccccn1)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000377620898 941851509 /nfs/dbraw/zinc/85/15/09/941851509.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 2 2 358.555 3.759 20 0 FHADLP CCC[NH+](CCc1ccccn1)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000377620898 941851511 /nfs/dbraw/zinc/85/15/11/941851511.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 2 2 358.555 3.759 20 0 FHADLP CCC[NH+](CCc1ccccn1)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000377620898 941851514 /nfs/dbraw/zinc/85/15/14/941851514.db2.gz FVSYGPRIZRARCA-UHFFFAOYSA-N 2 2 358.555 3.759 20 0 FHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000513347287 941866893 /nfs/dbraw/zinc/86/68/93/941866893.db2.gz HPNCAMWRNZNNTP-NVPAJSRCSA-N 2 2 356.432 3.718 20 0 FHADLP COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000513362257 941868783 /nfs/dbraw/zinc/86/87/83/941868783.db2.gz XXOXOFCZNQROQM-FQEVSTJZSA-N 2 2 363.461 3.924 20 0 FHADLP COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000513362257 941868784 /nfs/dbraw/zinc/86/87/84/941868784.db2.gz XXOXOFCZNQROQM-FQEVSTJZSA-N 2 2 363.461 3.924 20 0 FHADLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCC1 ZINC000644658262 941886477 /nfs/dbraw/zinc/88/64/77/941886477.db2.gz LWQVHJBLEAJISU-UHFFFAOYSA-N 2 2 369.484 3.799 20 0 FHADLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCC1 ZINC000644658262 941886483 /nfs/dbraw/zinc/88/64/83/941886483.db2.gz LWQVHJBLEAJISU-UHFFFAOYSA-N 2 2 369.484 3.799 20 0 FHADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)s1 ZINC000893018183 941892087 /nfs/dbraw/zinc/89/20/87/941892087.db2.gz FVDUTSJBTRZLBZ-UHFFFAOYSA-N 2 2 356.495 3.615 20 0 FHADLP CCc1nnc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)s1 ZINC000893018183 941892090 /nfs/dbraw/zinc/89/20/90/941892090.db2.gz FVDUTSJBTRZLBZ-UHFFFAOYSA-N 2 2 356.495 3.615 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)[C@H](C)C1 ZINC000513398813 941895104 /nfs/dbraw/zinc/89/51/04/941895104.db2.gz ADIQKURTWNJBHK-MDASCCDHSA-N 2 2 352.469 3.679 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c2c(F)ccc3F)[C@H](C)C1 ZINC000513398813 941895107 /nfs/dbraw/zinc/89/51/07/941895107.db2.gz ADIQKURTWNJBHK-MDASCCDHSA-N 2 2 352.469 3.679 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCCO2 ZINC000513417388 941912843 /nfs/dbraw/zinc/91/28/43/941912843.db2.gz VSTZUVCBSNEXPA-SFHVURJKSA-N 2 2 374.525 3.554 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCCO2 ZINC000513417388 941912844 /nfs/dbraw/zinc/91/28/44/941912844.db2.gz VSTZUVCBSNEXPA-SFHVURJKSA-N 2 2 374.525 3.554 20 0 FHADLP COc1cc([C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709826 941920848 /nfs/dbraw/zinc/92/08/48/941920848.db2.gz VJCPGRUKUVXARV-YWMUFLPLSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709826 941920853 /nfs/dbraw/zinc/92/08/53/941920853.db2.gz VJCPGRUKUVXARV-YWMUFLPLSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709826 941920855 /nfs/dbraw/zinc/92/08/55/941920855.db2.gz VJCPGRUKUVXARV-YWMUFLPLSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709826 941920857 /nfs/dbraw/zinc/92/08/57/941920857.db2.gz VJCPGRUKUVXARV-YWMUFLPLSA-N 2 2 357.473 3.915 20 0 FHADLP CCCC[C@@H](C[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415597277 941937510 /nfs/dbraw/zinc/93/75/10/941937510.db2.gz NLYFGXFIYDWGQV-KRWDZBQOSA-N 2 2 355.486 3.525 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000377779864 941984236 /nfs/dbraw/zinc/98/42/36/941984236.db2.gz CBDXHCBUDPQHEM-XUYSBGGMSA-N 2 2 371.550 3.974 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000377779864 941984238 /nfs/dbraw/zinc/98/42/38/941984238.db2.gz CBDXHCBUDPQHEM-XUYSBGGMSA-N 2 2 371.550 3.974 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1cccs1 ZINC000377871219 942047204 /nfs/dbraw/zinc/04/72/04/942047204.db2.gz SHAVTORKHVSWJJ-LIRRHRJNSA-N 2 2 356.495 3.904 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[C@H]1c1cccs1 ZINC000377871219 942047210 /nfs/dbraw/zinc/04/72/10/942047210.db2.gz SHAVTORKHVSWJJ-LIRRHRJNSA-N 2 2 356.495 3.904 20 0 FHADLP Clc1ccc2[nH+]ccc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)c2c1 ZINC000513625249 942051916 /nfs/dbraw/zinc/05/19/16/942051916.db2.gz PHWLFADXYDLRRI-NRFANRHFSA-N 2 2 367.880 3.796 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217085 942131955 /nfs/dbraw/zinc/13/19/55/942131955.db2.gz IYRVBHLBJNLSRF-IOASZLSFSA-N 2 2 362.823 3.609 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217085 942131957 /nfs/dbraw/zinc/13/19/57/942131957.db2.gz IYRVBHLBJNLSRF-IOASZLSFSA-N 2 2 362.823 3.609 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1nc2c(s1)CCC2 ZINC000502042271 942184452 /nfs/dbraw/zinc/18/44/52/942184452.db2.gz ORDGWQLJFQJWLD-MRXNPFEDSA-N 2 2 355.551 3.990 20 0 FHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000420813614 942220451 /nfs/dbraw/zinc/22/04/51/942220451.db2.gz VYMAGXVMRYMEDT-GHTZIAJQSA-N 2 2 366.509 3.551 20 0 FHADLP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C)[nH+]1 ZINC000420813614 942220454 /nfs/dbraw/zinc/22/04/54/942220454.db2.gz VYMAGXVMRYMEDT-GHTZIAJQSA-N 2 2 366.509 3.551 20 0 FHADLP COc1ccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420900499 942245925 /nfs/dbraw/zinc/24/59/25/942245925.db2.gz JCNWLKVFLWKYLL-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP COc1ccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)cc1 ZINC000420900499 942245928 /nfs/dbraw/zinc/24/59/28/942245928.db2.gz JCNWLKVFLWKYLL-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420911893 942250787 /nfs/dbraw/zinc/25/07/87/942250787.db2.gz GSIDIQJQDABDQX-VSKRKVRLSA-N 2 2 372.553 3.544 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000420911893 942250792 /nfs/dbraw/zinc/25/07/92/942250792.db2.gz GSIDIQJQDABDQX-VSKRKVRLSA-N 2 2 372.553 3.544 20 0 FHADLP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000420942172 942265699 /nfs/dbraw/zinc/26/56/99/942265699.db2.gz UWWDNVRFPBDXSS-FQEVSTJZSA-N 2 2 371.550 3.793 20 0 FHADLP Oc1cccc(C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2CC2)c1 ZINC000420915489 942267069 /nfs/dbraw/zinc/26/70/69/942267069.db2.gz MCKZCAFGFGPZFP-UHFFFAOYSA-N 2 2 366.505 3.637 20 0 FHADLP Oc1cccc(C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)CC2CC2)c1 ZINC000420915489 942267073 /nfs/dbraw/zinc/26/70/73/942267073.db2.gz MCKZCAFGFGPZFP-UHFFFAOYSA-N 2 2 366.505 3.637 20 0 FHADLP Clc1cccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420952551 942273541 /nfs/dbraw/zinc/27/35/41/942273541.db2.gz UMHVCPCFVZTZQI-UHFFFAOYSA-N 2 2 356.897 3.951 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983756 942282149 /nfs/dbraw/zinc/28/21/49/942282149.db2.gz RLKHYUINYRKRDQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983756 942282152 /nfs/dbraw/zinc/28/21/52/942282152.db2.gz RLKHYUINYRKRDQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983756 942282155 /nfs/dbraw/zinc/28/21/55/942282155.db2.gz RLKHYUINYRKRDQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983756 942282158 /nfs/dbraw/zinc/28/21/58/942282158.db2.gz RLKHYUINYRKRDQ-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984673 942282627 /nfs/dbraw/zinc/28/26/27/942282627.db2.gz UGIHLAASGLCOAP-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984673 942282631 /nfs/dbraw/zinc/28/26/31/942282631.db2.gz UGIHLAASGLCOAP-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984673 942282634 /nfs/dbraw/zinc/28/26/34/942282634.db2.gz UGIHLAASGLCOAP-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984673 942282638 /nfs/dbraw/zinc/28/26/38/942282638.db2.gz UGIHLAASGLCOAP-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCCC34CCOCC4)c(C)c2)CC1 ZINC000502249875 942312973 /nfs/dbraw/zinc/31/29/73/942312973.db2.gz GHZVMCHUAQLJQG-OAQYLSRUSA-N 2 2 357.542 3.898 20 0 FHADLP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000502272617 942324412 /nfs/dbraw/zinc/32/44/12/942324412.db2.gz ZUNJTUSKMTUJTO-RDJZCZTQSA-N 2 2 357.498 3.615 20 0 FHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCOCC1)c1ccccc1 ZINC000502279846 942328903 /nfs/dbraw/zinc/32/89/03/942328903.db2.gz HCJPIKNOMVTYFK-TZIWHRDSSA-N 2 2 372.553 3.825 20 0 FHADLP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2)c1 ZINC000502323220 942353572 /nfs/dbraw/zinc/35/35/72/942353572.db2.gz VCONZJXOXLYPLL-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)c2)c1 ZINC000502323220 942353576 /nfs/dbraw/zinc/35/35/76/942353576.db2.gz VCONZJXOXLYPLL-LJQANCHMSA-N 2 2 361.493 3.785 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)n2c1CCCC2 ZINC000502323414 942354639 /nfs/dbraw/zinc/35/46/39/942354639.db2.gz WBMQNIQFRDWIRZ-GOSISDBHSA-N 2 2 367.493 3.760 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cccc4c3OCCCO4)C2)n2c1CCCC2 ZINC000502323414 942354644 /nfs/dbraw/zinc/35/46/44/942354644.db2.gz WBMQNIQFRDWIRZ-GOSISDBHSA-N 2 2 367.493 3.760 20 0 FHADLP COc1cc(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000502312544 942361101 /nfs/dbraw/zinc/36/11/01/942361101.db2.gz ZBFLBSFBYRVFSE-QGZVFWFLSA-N 2 2 354.498 3.619 20 0 FHADLP COc1cc(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)n1 ZINC000502312544 942361105 /nfs/dbraw/zinc/36/11/05/942361105.db2.gz ZBFLBSFBYRVFSE-QGZVFWFLSA-N 2 2 354.498 3.619 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC[C@@H](c4cccnc4)C3)[nH+]c2)C1 ZINC000502434903 942451413 /nfs/dbraw/zinc/45/14/13/942451413.db2.gz MKESAZDBLVLHOL-YFVAEKQCSA-N 2 2 365.525 3.755 20 0 FHADLP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1cnn(C3CCCC3)c1-c1ccccc1)CC2 ZINC000421341558 942494760 /nfs/dbraw/zinc/49/47/60/942494760.db2.gz KLJCIBAQDXVSOY-LJQANCHMSA-N 2 2 361.493 3.966 20 0 FHADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832222 942502737 /nfs/dbraw/zinc/50/27/37/942502737.db2.gz ODVADYSXRDYYKM-YVEFUNNKSA-N 2 2 351.263 3.809 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1C ZINC000421376760 942526896 /nfs/dbraw/zinc/52/68/96/942526896.db2.gz FHJAFJGTALAQFI-UHFFFAOYSA-N 2 2 372.944 3.870 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1C ZINC000421376760 942526899 /nfs/dbraw/zinc/52/68/99/942526899.db2.gz FHJAFJGTALAQFI-UHFFFAOYSA-N 2 2 372.944 3.870 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c2c(n1)CCCC2 ZINC000893202462 942577177 /nfs/dbraw/zinc/57/71/77/942577177.db2.gz IQSPVNSXUPDZMA-GOSISDBHSA-N 2 2 364.537 3.979 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420282485 942603240 /nfs/dbraw/zinc/60/32/40/942603240.db2.gz BLXHLGISGMDTAL-HNAYVOBHSA-N 2 2 357.885 3.609 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420282485 942603243 /nfs/dbraw/zinc/60/32/43/942603243.db2.gz BLXHLGISGMDTAL-HNAYVOBHSA-N 2 2 357.885 3.609 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285565 942605474 /nfs/dbraw/zinc/60/54/74/942605474.db2.gz FELNQTPXQSBNLM-XAUMDUMWSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285565 942605479 /nfs/dbraw/zinc/60/54/79/942605479.db2.gz FELNQTPXQSBNLM-XAUMDUMWSA-N 2 2 355.457 3.565 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420286268 942606118 /nfs/dbraw/zinc/60/61/18/942606118.db2.gz GCLSHSGZPWUZBK-DSKINZAPSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000420286268 942606120 /nfs/dbraw/zinc/60/61/20/942606120.db2.gz GCLSHSGZPWUZBK-DSKINZAPSA-N 2 2 351.494 3.734 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1OC ZINC000420310742 942614886 /nfs/dbraw/zinc/61/48/86/942614886.db2.gz GSNNXCVCACVBCV-INIZCTEOSA-N 2 2 361.511 3.531 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC[NH3+])cs2)cc1OC ZINC000420310742 942614892 /nfs/dbraw/zinc/61/48/92/942614892.db2.gz GSNNXCVCACVBCV-INIZCTEOSA-N 2 2 361.511 3.531 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000420318580 942620381 /nfs/dbraw/zinc/62/03/81/942620381.db2.gz QJOJIOBLITWYCS-VQIMIIECSA-N 2 2 363.461 3.687 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000420318580 942620384 /nfs/dbraw/zinc/62/03/84/942620384.db2.gz QJOJIOBLITWYCS-VQIMIIECSA-N 2 2 363.461 3.687 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000420366406 942640943 /nfs/dbraw/zinc/64/09/43/942640943.db2.gz ULYSIBAKWAYXGF-SJCJKPOMSA-N 2 2 372.340 3.668 20 0 FHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccccc1Cc1ccccc1)C1CCCCC1 ZINC000420367764 942641810 /nfs/dbraw/zinc/64/18/10/942641810.db2.gz WBJUPTFJUGNJLY-JOCHJYFZSA-N 2 2 365.521 3.713 20 0 FHADLP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000420367081 942641834 /nfs/dbraw/zinc/64/18/34/942641834.db2.gz GOCICNXFKWYSRX-IGNZVWTISA-N 2 2 353.293 3.575 20 0 FHADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000075784288 942786921 /nfs/dbraw/zinc/78/69/21/942786921.db2.gz XVKHMZQKAYIGQW-QGZVFWFLSA-N 2 2 351.450 3.649 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000514210940 942820684 /nfs/dbraw/zinc/82/06/84/942820684.db2.gz LQNKGYOAWDCPKL-QAPCUYQASA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000514210940 942820689 /nfs/dbraw/zinc/82/06/89/942820689.db2.gz LQNKGYOAWDCPKL-QAPCUYQASA-N 2 2 354.922 3.575 20 0 FHADLP CC(C)CCC[C@H](C)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688627 942865849 /nfs/dbraw/zinc/86/58/49/942865849.db2.gz ODUFRQMFQLRRHM-SFHVURJKSA-N 2 2 374.573 3.730 20 0 FHADLP C[C@@H]1CCC[C@@](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)([NH+](C)C)C1 ZINC000425147473 942872879 /nfs/dbraw/zinc/87/28/79/942872879.db2.gz RLJKHJSODCICKA-ZWCUEREDSA-N 2 2 368.525 3.558 20 0 FHADLP COCC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742052 942934110 /nfs/dbraw/zinc/93/41/10/942934110.db2.gz LZEPCGBIUSZAHR-FKBYEOEOSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434742052 942934116 /nfs/dbraw/zinc/93/41/16/942934116.db2.gz LZEPCGBIUSZAHR-FKBYEOEOSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434742052 942934122 /nfs/dbraw/zinc/93/41/22/942934122.db2.gz LZEPCGBIUSZAHR-FKBYEOEOSA-N 2 2 353.510 3.784 20 0 FHADLP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434742052 942934126 /nfs/dbraw/zinc/93/41/26/942934126.db2.gz LZEPCGBIUSZAHR-FKBYEOEOSA-N 2 2 353.510 3.784 20 0 FHADLP CCCCN(CCCC)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434760777 942948831 /nfs/dbraw/zinc/94/88/31/942948831.db2.gz YCAGPTRGSYVYKY-UHFFFAOYSA-N 2 2 374.573 3.828 20 0 FHADLP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000378607149 942950986 /nfs/dbraw/zinc/95/09/86/942950986.db2.gz FUPADFPPZAGOBT-OAQYLSRUSA-N 2 2 369.484 3.731 20 0 FHADLP CC(C)[NH+](CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C(C)C ZINC000425199091 942977497 /nfs/dbraw/zinc/97/74/97/942977497.db2.gz YVNVMKNFGJMMNJ-LJQANCHMSA-N 2 2 356.514 3.557 20 0 FHADLP CC[NH+](CC)CC1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425229605 943012275 /nfs/dbraw/zinc/01/22/75/943012275.db2.gz IGTIAZBMKPAIMM-FQEVSTJZSA-N 2 2 368.525 3.512 20 0 FHADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055417 943016854 /nfs/dbraw/zinc/01/68/54/943016854.db2.gz YHLCUKBSOINYTE-LSCFUAHRSA-N 2 2 355.295 3.764 20 0 FHADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055417 943016857 /nfs/dbraw/zinc/01/68/57/943016857.db2.gz YHLCUKBSOINYTE-LSCFUAHRSA-N 2 2 355.295 3.764 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007276 943032700 /nfs/dbraw/zinc/03/27/00/943032700.db2.gz GNZVWVPKAGAGDB-RBUKOAKNSA-N 2 2 369.509 3.501 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007276 943032705 /nfs/dbraw/zinc/03/27/05/943032705.db2.gz GNZVWVPKAGAGDB-RBUKOAKNSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007276 943032706 /nfs/dbraw/zinc/03/27/06/943032706.db2.gz GNZVWVPKAGAGDB-RBUKOAKNSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007276 943032710 /nfs/dbraw/zinc/03/27/10/943032710.db2.gz GNZVWVPKAGAGDB-RBUKOAKNSA-N 2 2 369.509 3.501 20 0 FHADLP CC(C)n1cc([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000271935605 943072157 /nfs/dbraw/zinc/07/21/57/943072157.db2.gz ADBQTTGEQFRARK-MRXNPFEDSA-N 2 2 356.518 3.563 20 0 FHADLP CC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079465 943076586 /nfs/dbraw/zinc/07/65/86/943076586.db2.gz KIVYLGNFQUHYNA-AZUAARDMSA-N 2 2 374.573 3.750 20 0 FHADLP CC[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079465 943076593 /nfs/dbraw/zinc/07/65/93/943076593.db2.gz KIVYLGNFQUHYNA-AZUAARDMSA-N 2 2 374.573 3.750 20 0 FHADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434985379 943086216 /nfs/dbraw/zinc/08/62/16/943086216.db2.gz IISLHCXSIGYMFC-UHFFFAOYSA-N 2 2 372.488 3.556 20 0 FHADLP COc1ccccc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272313063 943134888 /nfs/dbraw/zinc/13/48/88/943134888.db2.gz UFXYPPNEIQBTII-INIZCTEOSA-N 2 2 354.498 3.794 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000503435583 943182541 /nfs/dbraw/zinc/18/25/41/943182541.db2.gz MYKOFJYAMNRSGA-OAHLLOKOSA-N 2 2 373.522 3.756 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000503435583 943182546 /nfs/dbraw/zinc/18/25/46/943182546.db2.gz MYKOFJYAMNRSGA-OAHLLOKOSA-N 2 2 373.522 3.756 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000422638483 943207778 /nfs/dbraw/zinc/20/77/78/943207778.db2.gz QJWKZYLRNHHCNZ-DBXWQHBBSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000422638483 943207786 /nfs/dbraw/zinc/20/77/86/943207786.db2.gz QJWKZYLRNHHCNZ-DBXWQHBBSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422701071 943237507 /nfs/dbraw/zinc/23/75/07/943237507.db2.gz BEOLFMROKMCDPZ-LLGFUMIMSA-N 2 2 372.484 3.822 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCCC[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422712969 943244827 /nfs/dbraw/zinc/24/48/27/943244827.db2.gz JEQPJDOLSCIUTP-FCHUYYIVSA-N 3 2 359.558 3.734 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422726049 943259634 /nfs/dbraw/zinc/25/96/34/943259634.db2.gz ZDADJSWXIXSNPV-BBRMVZONSA-N 2 2 352.404 3.511 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(Oc2c(OC)cccc2OC)nc1)[C@@H]1CCC[NH2+]1 ZINC000422724931 943259844 /nfs/dbraw/zinc/25/98/44/943259844.db2.gz XDRWFZQXOUFCKE-SJORKVTESA-N 2 2 371.481 3.511 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000503577238 943272302 /nfs/dbraw/zinc/27/23/02/943272302.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000503577238 943272304 /nfs/dbraw/zinc/27/23/04/943272304.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000503577238 943272311 /nfs/dbraw/zinc/27/23/11/943272311.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 2 353.510 3.607 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000503577238 943272314 /nfs/dbraw/zinc/27/23/14/943272314.db2.gz KWVBIFXNBYCZHE-LJQANCHMSA-N 2 2 353.510 3.607 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422786274 943282756 /nfs/dbraw/zinc/28/27/56/943282756.db2.gz KRRUPYNRSJLVFE-UZUQRXQVSA-N 2 2 362.521 3.596 20 0 FHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)cs1 ZINC000422810480 943291471 /nfs/dbraw/zinc/29/14/71/943291471.db2.gz UJGGDEVCQTUSGQ-CJMONDIMSA-N 2 2 357.523 3.536 20 0 FHADLP Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894276237 943293516 /nfs/dbraw/zinc/29/35/16/943293516.db2.gz HMZFOUGDLFRYLN-SNVBAGLBSA-N 2 2 367.396 3.525 20 0 FHADLP C[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000422815536 943302639 /nfs/dbraw/zinc/30/26/39/943302639.db2.gz XTGNOMKYZKQIES-XWIAVFTESA-N 2 2 356.432 3.556 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422883867 943317131 /nfs/dbraw/zinc/31/71/31/943317131.db2.gz DBRCFICOMKZUTE-MPGHIAIKSA-N 2 2 359.539 3.845 20 0 FHADLP CCCOc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(OC(F)F)c1 ZINC000422889436 943319527 /nfs/dbraw/zinc/31/95/27/943319527.db2.gz POCUBPCCFHMCRA-GFCCVEGCSA-N 2 2 351.397 3.735 20 0 FHADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)c(C(F)(F)F)c2)n1 ZINC000422896789 943323198 /nfs/dbraw/zinc/32/31/98/943323198.db2.gz AZEYLKWIUZISDH-RDTXWAMCSA-N 2 2 366.431 3.738 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCCc2nc(C)cs2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422900667 943324516 /nfs/dbraw/zinc/32/45/16/943324516.db2.gz ARBJADUMUNETMR-AZUAARDMSA-N 2 2 359.539 3.866 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000425341445 943336370 /nfs/dbraw/zinc/33/63/70/943336370.db2.gz XIRRJVJWHJJRGN-IRLDBZIGSA-N 2 2 352.526 3.951 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000425341445 943336374 /nfs/dbraw/zinc/33/63/74/943336374.db2.gz XIRRJVJWHJJRGN-IRLDBZIGSA-N 2 2 352.526 3.951 20 0 FHADLP COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccn1 ZINC000423016972 943366069 /nfs/dbraw/zinc/36/60/69/943366069.db2.gz VETPTTYMFKEJRW-ZHRRBRCNSA-N 2 2 362.477 3.693 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000423122935 943397549 /nfs/dbraw/zinc/39/75/49/943397549.db2.gz KHESCGUJYXNGEA-FSSWDIPSSA-N 2 2 353.510 3.811 20 0 FHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423147335 943407321 /nfs/dbraw/zinc/40/73/21/943407321.db2.gz RTQZBYRMSJOHRU-BEFAXECRSA-N 2 2 354.885 3.574 20 0 FHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000423159386 943418433 /nfs/dbraw/zinc/41/84/33/943418433.db2.gz OYWVPPHFSZQSLO-KZNAEPCWSA-N 2 2 350.384 3.863 20 0 FHADLP COc1c(C)cc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000435444769 943420352 /nfs/dbraw/zinc/42/03/52/943420352.db2.gz SPEGFVBWCBPVKL-QGZVFWFLSA-N 2 2 359.539 3.689 20 0 FHADLP COc1c(C)cc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1C ZINC000435444769 943420355 /nfs/dbraw/zinc/42/03/55/943420355.db2.gz SPEGFVBWCBPVKL-QGZVFWFLSA-N 2 2 359.539 3.689 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435447325 943423308 /nfs/dbraw/zinc/42/33/08/943423308.db2.gz OUMIQHUZIBFVAI-QQOXCAACSA-N 2 2 357.523 3.585 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435447325 943423310 /nfs/dbraw/zinc/42/33/10/943423310.db2.gz OUMIQHUZIBFVAI-QQOXCAACSA-N 2 2 357.523 3.585 20 0 FHADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)F)cc1 ZINC000423238477 943444231 /nfs/dbraw/zinc/44/42/31/943444231.db2.gz VDDNCFOOOZHFPR-KRWDZBQOSA-N 2 2 362.424 3.656 20 0 FHADLP COc1ccc2cc([C@H](C)Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)ccc2c1 ZINC000423232068 943453614 /nfs/dbraw/zinc/45/36/14/943453614.db2.gz MHBSFQLLOWWTSI-INIZCTEOSA-N 2 2 362.477 3.826 20 0 FHADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(I)cc1 ZINC000423245218 943457515 /nfs/dbraw/zinc/45/75/15/943457515.db2.gz OGLOPQIFPATOIH-BLLLJJGKSA-N 2 2 366.246 3.642 20 0 FHADLP Cc1c([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284857 943464197 /nfs/dbraw/zinc/46/41/97/943464197.db2.gz XGYYYAYXNWIIDT-QLJPJBMISA-N 2 2 353.297 3.875 20 0 FHADLP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000423343523 943485632 /nfs/dbraw/zinc/48/56/32/943485632.db2.gz LXRYYGHXYZNJLF-GOSISDBHSA-N 2 2 352.482 3.603 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CCC[NH2+]1 ZINC000423426105 943507029 /nfs/dbraw/zinc/50/70/29/943507029.db2.gz MRQPEIZAJWWHFN-PXAZEXFGSA-N 2 2 351.541 3.599 20 0 FHADLP C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423438380 943519955 /nfs/dbraw/zinc/51/99/55/943519955.db2.gz UZELFZZPPHSVNU-UZLBHIALSA-N 2 2 362.477 3.776 20 0 FHADLP Fc1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2Cl)cc1 ZINC000423492938 943535850 /nfs/dbraw/zinc/53/58/50/943535850.db2.gz PCKMXHOWFKOFSQ-FXAWDEMLSA-N 2 2 362.876 3.731 20 0 FHADLP COc1cc(F)c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1OC ZINC000423533312 943540162 /nfs/dbraw/zinc/54/01/62/943540162.db2.gz XGSXFPSHZOHQMD-TVBYKBMUSA-N 2 2 362.489 3.647 20 0 FHADLP Fc1ccc([C@H](CCSc2ccccc2)[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000423524310 943546692 /nfs/dbraw/zinc/54/66/92/943546692.db2.gz OGHHGQBHWANIDP-QUCCMNQESA-N 2 2 360.498 3.627 20 0 FHADLP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000364102364 943559096 /nfs/dbraw/zinc/55/90/96/943559096.db2.gz WBDJWDVLXZKAAX-CYBMUJFWSA-N 2 2 364.287 3.630 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C)[nH+]1 ZINC000516915254 943824384 /nfs/dbraw/zinc/82/43/84/943824384.db2.gz HPIHGVZIOQNWAF-PKOBYXMFSA-N 2 2 370.472 3.661 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850359 /nfs/dbraw/zinc/85/03/59/943850359.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NCC[C@@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850374 /nfs/dbraw/zinc/85/03/74/943850374.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850381 /nfs/dbraw/zinc/85/03/81/943850381.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 2 365.512 3.953 20 0 FHADLP CC(C)[NH+]1CC[C@H](NCC[C@@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477916 943850390 /nfs/dbraw/zinc/85/03/90/943850390.db2.gz OUKXTYJRDRTHPS-DZFGPLHGSA-N 2 2 365.512 3.953 20 0 FHADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)Sc2ccc(Br)cc2)n1C ZINC000516980748 943880949 /nfs/dbraw/zinc/88/09/49/943880949.db2.gz BUEJOOPUTGHCKZ-LLVKDONJSA-N 2 2 354.317 3.761 20 0 FHADLP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000436047765 943972277 /nfs/dbraw/zinc/97/22/77/943972277.db2.gz DXJQWSTYQKIIPF-KBPBESRZSA-N 2 2 351.466 3.902 20 0 FHADLP Cc1ncsc1C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000436047765 943972279 /nfs/dbraw/zinc/97/22/79/943972279.db2.gz DXJQWSTYQKIIPF-KBPBESRZSA-N 2 2 351.466 3.902 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(C)nc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000436049000 943972949 /nfs/dbraw/zinc/97/29/49/943972949.db2.gz GUHKYRKAUVTFJU-QGZVFWFLSA-N 2 2 366.534 3.920 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(C)nc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000436049000 943972955 /nfs/dbraw/zinc/97/29/55/943972955.db2.gz GUHKYRKAUVTFJU-QGZVFWFLSA-N 2 2 366.534 3.920 20 0 FHADLP C[N@H+](CCCNc1[nH+]cnc2c1cnn2-c1ccccc1)C1CCCCC1 ZINC000515548623 943983699 /nfs/dbraw/zinc/98/36/99/943983699.db2.gz ODUSBGVECHPLSV-UHFFFAOYSA-N 2 2 364.497 3.882 20 0 FHADLP C[N@@H+](CCCNc1[nH+]cnc2c1cnn2-c1ccccc1)C1CCCCC1 ZINC000515548623 943983709 /nfs/dbraw/zinc/98/37/09/943983709.db2.gz ODUSBGVECHPLSV-UHFFFAOYSA-N 2 2 364.497 3.882 20 0 FHADLP CC[C@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000647937309 944034287 /nfs/dbraw/zinc/03/42/87/944034287.db2.gz VRLKOTAEEJENKY-LRDDRELGSA-N 2 2 364.287 3.663 20 0 FHADLP CC[C@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000647937309 944034294 /nfs/dbraw/zinc/03/42/94/944034294.db2.gz VRLKOTAEEJENKY-LRDDRELGSA-N 2 2 364.287 3.663 20 0 FHADLP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000517205838 944104512 /nfs/dbraw/zinc/10/45/12/944104512.db2.gz ODAGGTXKVFAOGY-QMTHXVAHSA-N 2 2 366.690 3.960 20 0 FHADLP CCCC[C@@H](C[NH3+])NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414812737 944108473 /nfs/dbraw/zinc/10/84/73/944108473.db2.gz LKPFBUSOMAGASV-KRWDZBQOSA-N 2 2 368.363 3.521 20 0 FHADLP CCCC[C@@H](C[NH3+])[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000414812737 944108475 /nfs/dbraw/zinc/10/84/75/944108475.db2.gz LKPFBUSOMAGASV-KRWDZBQOSA-N 2 2 368.363 3.521 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000424775705 944112922 /nfs/dbraw/zinc/11/29/22/944112922.db2.gz RVGQIDBJGSJAPL-GFOJFJKKSA-N 2 2 363.590 3.608 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000424775705 944112928 /nfs/dbraw/zinc/11/29/28/944112928.db2.gz RVGQIDBJGSJAPL-GFOJFJKKSA-N 2 2 363.590 3.608 20 0 FHADLP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3cc(F)c(Cl)cc32)CCO1 ZINC000664659458 944131142 /nfs/dbraw/zinc/13/11/42/944131142.db2.gz YILIOAZMIHYALN-CYBMUJFWSA-N 2 2 351.853 3.574 20 0 FHADLP COCCC1(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000436316238 944194682 /nfs/dbraw/zinc/19/46/82/944194682.db2.gz RIUXZILIYBYXBY-IBGZPJMESA-N 2 2 360.546 3.621 20 0 FHADLP CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001270284378 944212657 /nfs/dbraw/zinc/21/26/57/944212657.db2.gz DFRKVYKRTZYUCW-ZACQAIPSSA-N 2 2 354.498 3.678 20 0 FHADLP CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001270284378 944212663 /nfs/dbraw/zinc/21/26/63/944212663.db2.gz DFRKVYKRTZYUCW-ZACQAIPSSA-N 2 2 354.498 3.678 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414882993 944247733 /nfs/dbraw/zinc/24/77/33/944247733.db2.gz MMVBICKJNTVOKG-MOPGFXCFSA-N 2 2 362.420 3.532 20 0 FHADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000438081916 944336906 /nfs/dbraw/zinc/33/69/06/944336906.db2.gz QAUDJHGGJUJAJR-SMIHKQSGSA-N 2 2 364.533 3.506 20 0 FHADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000438081916 944336911 /nfs/dbraw/zinc/33/69/11/944336911.db2.gz QAUDJHGGJUJAJR-SMIHKQSGSA-N 2 2 364.533 3.506 20 0 FHADLP Brc1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)s1 ZINC000439146903 944378925 /nfs/dbraw/zinc/37/89/25/944378925.db2.gz OJCFRZWGSIYNPS-XHDPSFHLSA-N 2 2 352.301 3.763 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]([C@H]4CCOC4)C3)[nH+]c2)CC1 ZINC000467347751 944462572 /nfs/dbraw/zinc/46/25/72/944462572.db2.gz CCOMISXZWGIGJV-GBESFXJTSA-N 2 2 372.557 3.619 20 0 FHADLP CCCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000894730315 944511849 /nfs/dbraw/zinc/51/18/49/944511849.db2.gz VXOCNMODHAPHNK-MRXNPFEDSA-N 2 2 363.571 3.731 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846446 944538414 /nfs/dbraw/zinc/53/84/14/944538414.db2.gz XTURJMFPFXIEMW-OXQOHEQNSA-N 2 2 368.924 3.956 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)c(F)c3)C2)CC1 ZINC000759846446 944538419 /nfs/dbraw/zinc/53/84/19/944538419.db2.gz XTURJMFPFXIEMW-OXQOHEQNSA-N 2 2 368.924 3.956 20 0 FHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000390693511 944729061 /nfs/dbraw/zinc/72/90/61/944729061.db2.gz QSFZPVADVCKLPL-IQWMQGJTSA-N 2 2 368.496 3.952 20 0 FHADLP Fc1cccc(C2CC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000390693511 944729064 /nfs/dbraw/zinc/72/90/64/944729064.db2.gz QSFZPVADVCKLPL-IQWMQGJTSA-N 2 2 368.496 3.952 20 0 FHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390702514 944736625 /nfs/dbraw/zinc/73/66/25/944736625.db2.gz UHFYSEDRQIBBDH-GOTSBHOMSA-N 2 2 352.522 3.888 20 0 FHADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390702514 944736632 /nfs/dbraw/zinc/73/66/32/944736632.db2.gz UHFYSEDRQIBBDH-GOTSBHOMSA-N 2 2 352.522 3.888 20 0 FHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390712226 944764840 /nfs/dbraw/zinc/76/48/40/944764840.db2.gz XCQLGTFUMQFKGN-PZJWPPBQSA-N 2 2 368.521 3.945 20 0 FHADLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390712226 944764850 /nfs/dbraw/zinc/76/48/50/944764850.db2.gz XCQLGTFUMQFKGN-PZJWPPBQSA-N 2 2 368.521 3.945 20 0 FHADLP Fc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1Br ZINC000506942969 944765230 /nfs/dbraw/zinc/76/52/30/944765230.db2.gz DYLBSYRZJQHKGH-UHFFFAOYSA-N 2 2 355.295 3.896 20 0 FHADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414941249 944910912 /nfs/dbraw/zinc/91/09/12/944910912.db2.gz LGLZUIANEOMDKN-XHDPSFHLSA-N 2 2 355.429 3.917 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)Cc1ccccc1 ZINC000518917625 944937191 /nfs/dbraw/zinc/93/71/91/944937191.db2.gz ZMIMXYDVZMGJCT-BDTNDASRSA-N 2 2 368.569 3.989 20 0 FHADLP C[NH+](C)CCN(Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccc(F)cc1F ZINC000516513980 944962345 /nfs/dbraw/zinc/96/23/45/944962345.db2.gz AYWUCABFFPQLRL-UHFFFAOYSA-N 2 2 370.447 3.714 20 0 FHADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414945531 944976135 /nfs/dbraw/zinc/97/61/35/944976135.db2.gz RUHDEPJTXNRLFS-UTKZUKDTSA-N 2 2 353.510 3.610 20 0 FHADLP Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000660749538 945455104 /nfs/dbraw/zinc/45/51/04/945455104.db2.gz JVFUOEKJPDWQPT-UHFFFAOYSA-N 2 2 354.498 3.501 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000651647163 945530643 /nfs/dbraw/zinc/53/06/43/945530643.db2.gz DCJURWKWTSPRAA-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000651647163 945530645 /nfs/dbraw/zinc/53/06/45/945530645.db2.gz DCJURWKWTSPRAA-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000651647163 945530650 /nfs/dbraw/zinc/53/06/50/945530650.db2.gz DCJURWKWTSPRAA-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000651647163 945530654 /nfs/dbraw/zinc/53/06/54/945530654.db2.gz DCJURWKWTSPRAA-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000281408157 945625274 /nfs/dbraw/zinc/62/52/74/945625274.db2.gz ZEAXSDCGEYZDFR-SFHVURJKSA-N 2 2 352.413 3.501 20 0 FHADLP CC(C)[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684472 /nfs/dbraw/zinc/68/44/72/945684472.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684476 /nfs/dbraw/zinc/68/44/76/945684476.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684480 /nfs/dbraw/zinc/68/44/80/945684480.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416429 945684482 /nfs/dbraw/zinc/68/44/82/945684482.db2.gz IZHMLZBZKOACCQ-KSGXDFPGSA-N 2 2 363.496 3.703 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712456 945688660 /nfs/dbraw/zinc/68/86/60/945688660.db2.gz NWQJTLXRQSBTSF-YOEHRIQHSA-N 2 2 364.559 3.611 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712456 945688668 /nfs/dbraw/zinc/68/86/68/945688668.db2.gz NWQJTLXRQSBTSF-YOEHRIQHSA-N 2 2 364.559 3.611 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726870 945783887 /nfs/dbraw/zinc/78/38/87/945783887.db2.gz CGHSEMFNNPNQFA-JXFKEZNVSA-N 2 2 372.484 3.843 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726870 945783890 /nfs/dbraw/zinc/78/38/90/945783890.db2.gz CGHSEMFNNPNQFA-JXFKEZNVSA-N 2 2 372.484 3.843 20 0 FHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000651794723 945938338 /nfs/dbraw/zinc/93/83/38/945938338.db2.gz VRLHPOOJLLTKLV-OAHLLOKOSA-N 2 2 373.472 3.755 20 0 FHADLP COc1cc(OC)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000651794723 945938341 /nfs/dbraw/zinc/93/83/41/945938341.db2.gz VRLHPOOJLLTKLV-OAHLLOKOSA-N 2 2 373.472 3.755 20 0 FHADLP c1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000301767257 945955353 /nfs/dbraw/zinc/95/53/53/945955353.db2.gz BVHWNCYMTUALAV-UHFFFAOYSA-N 2 2 357.546 3.559 20 0 FHADLP c1nc(N2CCCCC2)cc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000301767257 945955364 /nfs/dbraw/zinc/95/53/64/945955364.db2.gz BVHWNCYMTUALAV-UHFFFAOYSA-N 2 2 357.546 3.559 20 0 FHADLP CC(C)c1cc(N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000301877767 946017357 /nfs/dbraw/zinc/01/73/57/946017357.db2.gz TWSNGCBFYMBPHO-KDURUIRLSA-N 2 2 373.589 3.718 20 0 FHADLP CC(C)c1cc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000301877767 946017360 /nfs/dbraw/zinc/01/73/60/946017360.db2.gz TWSNGCBFYMBPHO-KDURUIRLSA-N 2 2 373.589 3.718 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219358 946085011 /nfs/dbraw/zinc/08/50/11/946085011.db2.gz YOMNNZVJDRHYMG-VWPQPMDRSA-N 2 2 371.569 3.840 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219358 946085022 /nfs/dbraw/zinc/08/50/22/946085022.db2.gz YOMNNZVJDRHYMG-VWPQPMDRSA-N 2 2 371.569 3.840 20 0 FHADLP Cc1c(Br)cccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848562580 946106995 /nfs/dbraw/zinc/10/69/95/946106995.db2.gz LJYHCFLYMIUVOV-UHFFFAOYSA-N 2 2 354.317 3.565 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075577 946108852 /nfs/dbraw/zinc/10/88/52/946108852.db2.gz VYSLNLMVFCYPDV-RTBURBONSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075577 946108853 /nfs/dbraw/zinc/10/88/53/946108853.db2.gz VYSLNLMVFCYPDV-RTBURBONSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[NH+]1[C@H](C)CC[C@H]1C ZINC000444245037 946114729 /nfs/dbraw/zinc/11/47/29/946114729.db2.gz KAGPKUOQCISDCT-ZACQAIPSSA-N 2 2 364.493 3.802 20 0 FHADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000302238102 946191493 /nfs/dbraw/zinc/19/14/93/946191493.db2.gz GWFXRHOMNUAXJL-CQSZACIVSA-N 2 2 366.431 3.692 20 0 FHADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000302238102 946191508 /nfs/dbraw/zinc/19/15/08/946191508.db2.gz GWFXRHOMNUAXJL-CQSZACIVSA-N 2 2 366.431 3.692 20 0 FHADLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000520207922 946268480 /nfs/dbraw/zinc/26/84/80/946268480.db2.gz RVQMQVGBATZHMB-KRWDZBQOSA-N 2 2 351.450 3.649 20 0 FHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000520228644 946291220 /nfs/dbraw/zinc/29/12/20/946291220.db2.gz BGJWKWVNDGFCJJ-HXUWFJFHSA-N 2 2 354.494 3.661 20 0 FHADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000067500471 946681071 /nfs/dbraw/zinc/68/10/71/946681071.db2.gz WZSXPEWSIHLQTR-KRWDZBQOSA-N 2 2 364.493 3.900 20 0 FHADLP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000909599357 946742295 /nfs/dbraw/zinc/74/22/95/946742295.db2.gz CFAUQAYLLZDNLH-LJQANCHMSA-N 2 2 362.477 3.940 20 0 FHADLP C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)Cn1cc[nH+]c1 ZINC000067500816 946746804 /nfs/dbraw/zinc/74/68/04/946746804.db2.gz QYIWYYLVPKLGSO-LLVKDONJSA-N 2 2 374.229 3.673 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC([C@H]4CCCCO4)CC3)C2)cc1 ZINC000661864843 946791594 /nfs/dbraw/zinc/79/15/94/946791594.db2.gz DLCWRQJTZVVWOL-DHIUTWEWSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC([C@H]4CCCCO4)CC3)C2)cc1 ZINC000661864843 946791603 /nfs/dbraw/zinc/79/16/03/946791603.db2.gz DLCWRQJTZVVWOL-DHIUTWEWSA-N 2 2 372.553 3.559 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCCOC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000475320665 946855794 /nfs/dbraw/zinc/85/57/94/946855794.db2.gz VOFCTHUCSQNKFZ-AZUAARDMSA-N 2 2 364.578 3.720 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCCOC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000475320665 946855806 /nfs/dbraw/zinc/85/58/06/946855806.db2.gz VOFCTHUCSQNKFZ-AZUAARDMSA-N 2 2 364.578 3.720 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCCOC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000475320665 946855814 /nfs/dbraw/zinc/85/58/14/946855814.db2.gz VOFCTHUCSQNKFZ-AZUAARDMSA-N 2 2 364.578 3.720 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCCOC(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000475320665 946855824 /nfs/dbraw/zinc/85/58/24/946855824.db2.gz VOFCTHUCSQNKFZ-AZUAARDMSA-N 2 2 364.578 3.720 20 0 FHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249084 946950511 /nfs/dbraw/zinc/95/05/11/946950511.db2.gz BTOACUWRBMELIR-CABCVRRESA-N 2 2 361.288 3.600 20 0 FHADLP C[C@@H]1CC([NH+]2CCC3(CCC(=O)O3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168063927 947043995 /nfs/dbraw/zinc/04/39/95/947043995.db2.gz OFCDSVULHFVYMA-QZTJIDSGSA-N 2 2 356.510 3.600 20 0 FHADLP CC(C)(CNc1cc[nH+]c2ccc(Br)cc12)[NH+]1CCOCC1 ZINC000301061170 947153149 /nfs/dbraw/zinc/15/31/49/947153149.db2.gz AGFAOVBAJKKWLQ-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP Cc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)o1 ZINC000301091372 947173318 /nfs/dbraw/zinc/17/33/18/947173318.db2.gz RSAYLSOZUBRGLP-HXUWFJFHSA-N 2 2 351.450 3.930 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2c(Br)cccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301188498 947224568 /nfs/dbraw/zinc/22/45/68/947224568.db2.gz KRXUCCROHPEXJE-OLZOCXBDSA-N 2 2 364.287 3.518 20 0 FHADLP O[C@H](C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)c1ccccc1 ZINC000301324893 947285767 /nfs/dbraw/zinc/28/57/67/947285767.db2.gz YAJKRVXHDOFEAW-OAQYLSRUSA-N 2 2 367.880 3.744 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441461855 947600471 /nfs/dbraw/zinc/60/04/71/947600471.db2.gz HHOMVHCNZJFSHE-JOCHJYFZSA-N 2 2 371.569 3.541 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441461855 947600484 /nfs/dbraw/zinc/60/04/84/947600484.db2.gz HHOMVHCNZJFSHE-JOCHJYFZSA-N 2 2 371.569 3.541 20 0 FHADLP Cc1cccc(C[NH+](Cc2cccc(C)n2)Cc2cccc3c2CC[NH2+]C3)n1 ZINC000662262615 947682509 /nfs/dbraw/zinc/68/25/09/947682509.db2.gz HUBCLAZZFVBPQM-UHFFFAOYSA-N 2 2 372.516 3.942 20 0 FHADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1cccc(Cl)c1Cl ZINC000662290161 947711615 /nfs/dbraw/zinc/71/16/15/947711615.db2.gz LZHQBSXSWLQIIE-CQSZACIVSA-N 2 2 370.324 3.644 20 0 FHADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000662508146 947876951 /nfs/dbraw/zinc/87/69/51/947876951.db2.gz RYXSKCOFACYOJO-INIZCTEOSA-N 2 2 352.482 3.551 20 0 FHADLP C[NH+](C)C1CCN(c2nc(NCc3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000663386340 947923902 /nfs/dbraw/zinc/92/39/02/947923902.db2.gz IZHUVRCYDLIYKO-UHFFFAOYSA-N 2 2 361.493 3.772 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465090 948047141 /nfs/dbraw/zinc/04/71/41/948047141.db2.gz HZBXJTUSNGUULI-PKOBYXMFSA-N 2 2 352.526 3.860 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465090 948047152 /nfs/dbraw/zinc/04/71/52/948047152.db2.gz HZBXJTUSNGUULI-PKOBYXMFSA-N 2 2 352.526 3.860 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(Br)c1 ZINC000511986515 948056026 /nfs/dbraw/zinc/05/60/26/948056026.db2.gz CALJUEJVDKBGLP-UHFFFAOYSA-N 2 2 367.331 3.954 20 0 FHADLP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c1 ZINC001143585738 948063518 /nfs/dbraw/zinc/06/35/18/948063518.db2.gz OIQYDAUYCXADMY-UHFFFAOYSA-N 2 2 358.457 3.594 20 0 FHADLP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c1 ZINC001143585738 948063525 /nfs/dbraw/zinc/06/35/25/948063525.db2.gz OIQYDAUYCXADMY-UHFFFAOYSA-N 2 2 358.457 3.594 20 0 FHADLP CC(C)[C@H]([NH3+])CC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000663500378 948117543 /nfs/dbraw/zinc/11/75/43/948117543.db2.gz QUPGBZJDCNTYLR-MRXNPFEDSA-N 2 2 353.919 3.839 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344567 948172166 /nfs/dbraw/zinc/17/21/66/948172166.db2.gz DTVLMGOPLSHNBJ-IBGZPJMESA-N 2 2 368.521 3.953 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432344567 948172168 /nfs/dbraw/zinc/17/21/68/948172168.db2.gz DTVLMGOPLSHNBJ-IBGZPJMESA-N 2 2 368.521 3.953 20 0 FHADLP COc1cc2cc[nH+]c(N3CCCC[C@H]([NH+]4CCCC4)C3)c2cc1OC ZINC000663577446 948237271 /nfs/dbraw/zinc/23/72/71/948237271.db2.gz OKWLEQJIHMQPNZ-KRWDZBQOSA-N 2 2 355.482 3.707 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)s1 ZINC000432371488 948248216 /nfs/dbraw/zinc/24/82/16/948248216.db2.gz ZNJXDZUUBQSTHL-OLZOCXBDSA-N 2 2 361.349 3.662 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)s1 ZINC000432371488 948248226 /nfs/dbraw/zinc/24/82/26/948248226.db2.gz ZNJXDZUUBQSTHL-OLZOCXBDSA-N 2 2 361.349 3.662 20 0 FHADLP Cn1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nnc1-c1ccccc1 ZINC000585747652 948260241 /nfs/dbraw/zinc/26/02/41/948260241.db2.gz IKYMFJQBWNVXPI-UHFFFAOYSA-N 2 2 367.541 3.570 20 0 FHADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2cccnc2)ccc1F ZINC000432408323 948357288 /nfs/dbraw/zinc/35/72/88/948357288.db2.gz BAALPQJKRWIBMQ-AVRDEDQJSA-N 2 2 371.500 3.709 20 0 FHADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2cccnc2)ccc1F ZINC000432408323 948357296 /nfs/dbraw/zinc/35/72/96/948357296.db2.gz BAALPQJKRWIBMQ-AVRDEDQJSA-N 2 2 371.500 3.709 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c[nH+]1 ZINC000459122252 948470193 /nfs/dbraw/zinc/47/01/93/948470193.db2.gz OLLALLIHVCPKTQ-UHFFFAOYSA-N 2 2 374.916 3.625 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110310 948493816 /nfs/dbraw/zinc/49/38/16/948493816.db2.gz ZVPBWGVUNLBPNU-DOTOQJQBSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cc(Cl)ccc1Cl ZINC000325110310 948493818 /nfs/dbraw/zinc/49/38/18/948493818.db2.gz ZVPBWGVUNLBPNU-DOTOQJQBSA-N 2 2 370.324 3.929 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2conc2Cc2ccccc2)c2cccc[nH+]2)CC1 ZINC000895112676 948708268 /nfs/dbraw/zinc/70/82/68/948708268.db2.gz QWHJZWAFCZPFJT-MXVIHJGJSA-N 2 2 362.477 3.937 20 0 FHADLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1OC(F)F ZINC000508452486 514783201 /nfs/dbraw/zinc/78/32/01/514783201.db2.gz CAVORTGUIAYTDG-UHFFFAOYSA-N 2 2 360.364 3.549 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cccc4c3OC(C)(C)C4)[nH+]c2)C1 ZINC000533442050 517463567 /nfs/dbraw/zinc/46/35/67/517463567.db2.gz RXRWPAKLVWRBQP-LJQANCHMSA-N 2 2 366.509 3.548 20 0 FHADLP Brc1cncc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000185833158 567868231 /nfs/dbraw/zinc/86/82/31/567868231.db2.gz BYBNBVAXOARELK-UHFFFAOYSA-N 2 2 360.299 3.598 20 0 FHADLP CCOC(=O)c1ncc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000602804019 568037442 /nfs/dbraw/zinc/03/74/42/568037442.db2.gz GCAUUCUPSPNFHT-ZDUSSCGKSA-N 2 2 370.478 3.665 20 0 FHADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603863122 568172088 /nfs/dbraw/zinc/17/20/88/568172088.db2.gz RACJIJBOVHFIPF-HNNXBMFYSA-N 2 2 373.884 3.987 20 0 FHADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(Oc3cc[nH+]cc3)c(Cl)c2)C1 ZINC000603863122 568172089 /nfs/dbraw/zinc/17/20/89/568172089.db2.gz RACJIJBOVHFIPF-HNNXBMFYSA-N 2 2 373.884 3.987 20 0 FHADLP C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000603883855 568176752 /nfs/dbraw/zinc/17/67/52/568176752.db2.gz LEOUSCVBSXXEQB-QGZVFWFLSA-N 2 2 362.477 3.616 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220013 568230406 /nfs/dbraw/zinc/23/04/06/568230406.db2.gz GHGUATNJMFPSKQ-RTBURBONSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220013 568230407 /nfs/dbraw/zinc/23/04/07/568230407.db2.gz GHGUATNJMFPSKQ-RTBURBONSA-N 2 2 351.450 3.539 20 0 FHADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccco2)CC1 ZINC000604756628 568365050 /nfs/dbraw/zinc/36/50/50/568365050.db2.gz NDFORVFIGFHJBY-UHFFFAOYSA-N 2 2 372.266 3.913 20 0 FHADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313601 568484598 /nfs/dbraw/zinc/48/45/98/568484598.db2.gz CHCUMMJPECKCAV-RTWAWAEBSA-N 2 2 357.542 3.717 20 0 FHADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313601 568484599 /nfs/dbraw/zinc/48/45/99/568484599.db2.gz CHCUMMJPECKCAV-RTWAWAEBSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313601 568484600 /nfs/dbraw/zinc/48/46/00/568484600.db2.gz CHCUMMJPECKCAV-RTWAWAEBSA-N 2 2 357.542 3.717 20 0 FHADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C1 ZINC000365313601 568484601 /nfs/dbraw/zinc/48/46/01/568484601.db2.gz CHCUMMJPECKCAV-RTWAWAEBSA-N 2 2 357.542 3.717 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000328635024 571325467 /nfs/dbraw/zinc/32/54/67/571325467.db2.gz NBSBCCODIMQXDO-UWJYYQICSA-N 2 2 350.441 3.552 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000328635024 571325468 /nfs/dbraw/zinc/32/54/68/571325468.db2.gz NBSBCCODIMQXDO-UWJYYQICSA-N 2 2 350.441 3.552 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 ZINC000328656491 571326233 /nfs/dbraw/zinc/32/62/33/571326233.db2.gz ZJAKEEGWQXHQEM-ICSRJNTNSA-N 2 2 351.494 3.578 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OC(C)(C)C3)[C@@H]1c1cccnc1 ZINC000328656491 571326234 /nfs/dbraw/zinc/32/62/34/571326234.db2.gz ZJAKEEGWQXHQEM-ICSRJNTNSA-N 2 2 351.494 3.578 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807962 720110435 /nfs/dbraw/zinc/11/04/35/720110435.db2.gz DBVLFHZPDXQYRW-CVDCTZTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807962 720110441 /nfs/dbraw/zinc/11/04/41/720110441.db2.gz DBVLFHZPDXQYRW-CVDCTZTESA-N 2 2 365.521 3.728 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1 ZINC001164840138 720552427 /nfs/dbraw/zinc/55/24/27/720552427.db2.gz RPOSFYMLGMGLJO-QHAWAJNXSA-N 2 2 367.541 3.779 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1 ZINC001164840138 720552436 /nfs/dbraw/zinc/55/24/36/720552436.db2.gz RPOSFYMLGMGLJO-QHAWAJNXSA-N 2 2 367.541 3.779 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028115 721815822 /nfs/dbraw/zinc/81/58/22/721815822.db2.gz WEWKQUHKIKBWGW-HQRMLTQVSA-N 2 2 354.473 3.661 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028115 721815824 /nfs/dbraw/zinc/81/58/24/721815824.db2.gz WEWKQUHKIKBWGW-HQRMLTQVSA-N 2 2 354.473 3.661 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165030200 721824187 /nfs/dbraw/zinc/82/41/87/721824187.db2.gz YTZTWQCZNHALJG-DBVUQKKJSA-N 2 2 368.550 3.935 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165030200 721824188 /nfs/dbraw/zinc/82/41/88/721824188.db2.gz YTZTWQCZNHALJG-DBVUQKKJSA-N 2 2 368.550 3.935 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165022188 721827773 /nfs/dbraw/zinc/82/77/73/721827773.db2.gz GPNHGGHPXNFTAB-JBACZVJFSA-N 2 2 365.525 3.534 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(C)c(C)[nH+]1 ZINC001165022188 721827776 /nfs/dbraw/zinc/82/77/76/721827776.db2.gz GPNHGGHPXNFTAB-JBACZVJFSA-N 2 2 365.525 3.534 20 0 FHADLP CCCOc1c(Cl)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000078912917 936311506 /nfs/dbraw/zinc/31/15/06/936311506.db2.gz ZKRWLTONSGWXAZ-AWEZNQCLSA-N 2 2 351.878 3.902 20 0 FHADLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)c(OC)c1 ZINC000121343748 936312241 /nfs/dbraw/zinc/31/22/41/936312241.db2.gz LMYXALRGWMQPDA-SFHVURJKSA-N 2 2 355.482 3.809 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000431519685 936390599 /nfs/dbraw/zinc/39/05/99/936390599.db2.gz OMPPDFHDQZDCKV-WBVHZDCISA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000431519685 936390604 /nfs/dbraw/zinc/39/06/04/936390604.db2.gz OMPPDFHDQZDCKV-WBVHZDCISA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)n2)C1 ZINC000431519685 936390612 /nfs/dbraw/zinc/39/06/12/936390612.db2.gz OMPPDFHDQZDCKV-WBVHZDCISA-N 2 2 364.559 3.578 20 0 FHADLP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)n2)C1 ZINC000431519685 936390616 /nfs/dbraw/zinc/39/06/16/936390616.db2.gz OMPPDFHDQZDCKV-WBVHZDCISA-N 2 2 364.559 3.578 20 0 FHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000061016430 937080238 /nfs/dbraw/zinc/08/02/38/937080238.db2.gz ILQURYYAWCTIIA-UHFFFAOYSA-N 2 2 364.383 3.853 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CO2 ZINC000583173401 937207510 /nfs/dbraw/zinc/20/75/10/937207510.db2.gz BMRRVIZSZYSFMX-CYBMUJFWSA-N 2 2 350.249 3.639 20 0 FHADLP CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000119190920 928059469 /nfs/dbraw/zinc/05/94/69/928059469.db2.gz UIQRNVAPBDMBIL-OAQYLSRUSA-N 2 2 359.558 3.686 20 0 FHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000520893213 928162483 /nfs/dbraw/zinc/16/24/83/928162483.db2.gz PACPXMSUJQFKTD-UHFFFAOYSA-N 2 2 364.125 3.595 20 0 FHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000520893213 928162490 /nfs/dbraw/zinc/16/24/90/928162490.db2.gz PACPXMSUJQFKTD-UHFFFAOYSA-N 2 2 364.125 3.595 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170548 928480545 /nfs/dbraw/zinc/48/05/45/928480545.db2.gz RTSNELUUIUTJLG-QRQLOZEOSA-N 2 2 354.498 3.635 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170548 928480553 /nfs/dbraw/zinc/48/05/53/928480553.db2.gz RTSNELUUIUTJLG-QRQLOZEOSA-N 2 2 354.498 3.635 20 0 FHADLP COc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000430248416 928538121 /nfs/dbraw/zinc/53/81/21/928538121.db2.gz ZMLYDBLPIATOSC-IBGZPJMESA-N 2 2 366.509 3.603 20 0 FHADLP COc1ccccc1-c1ncc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn1 ZINC000430248416 928538128 /nfs/dbraw/zinc/53/81/28/928538128.db2.gz ZMLYDBLPIATOSC-IBGZPJMESA-N 2 2 366.509 3.603 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000162722730 937264638 /nfs/dbraw/zinc/26/46/38/937264638.db2.gz SUJVXUNOFYNMES-JXXFODFXSA-N 2 2 355.482 3.701 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000162722730 937264641 /nfs/dbraw/zinc/26/46/41/937264641.db2.gz SUJVXUNOFYNMES-JXXFODFXSA-N 2 2 355.482 3.701 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000579863824 928834237 /nfs/dbraw/zinc/83/42/37/928834237.db2.gz ZKFWMUXIPCJZQV-JOCHJYFZSA-N 2 2 368.521 3.947 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)n2)CC1 ZINC000431527619 937307486 /nfs/dbraw/zinc/30/74/86/937307486.db2.gz FRKBWKBMQSRXRW-KRWDZBQOSA-N 2 2 364.559 3.578 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)n2)CC1 ZINC000431527619 937307488 /nfs/dbraw/zinc/30/74/88/937307488.db2.gz FRKBWKBMQSRXRW-KRWDZBQOSA-N 2 2 364.559 3.578 20 0 FHADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc(OC)c1OC ZINC000162863967 937338003 /nfs/dbraw/zinc/33/80/03/937338003.db2.gz SWDNRUFNSCUZOE-HNNXBMFYSA-N 2 2 359.470 3.650 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000472285210 937342092 /nfs/dbraw/zinc/34/20/92/937342092.db2.gz XHJNBQQHWLAVOU-SFHVURJKSA-N 2 2 351.560 3.733 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000472285210 937342098 /nfs/dbraw/zinc/34/20/98/937342098.db2.gz XHJNBQQHWLAVOU-SFHVURJKSA-N 2 2 351.560 3.733 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000079923595 929580555 /nfs/dbraw/zinc/58/05/55/929580555.db2.gz YQAHCHCYKYEECH-UHFFFAOYSA-N 2 2 357.889 3.660 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000657751335 937343998 /nfs/dbraw/zinc/34/39/98/937343998.db2.gz QJKBDWFBCYCOCV-QGZVFWFLSA-N 2 2 358.457 3.737 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)sc1Br ZINC000657752224 937350057 /nfs/dbraw/zinc/35/00/57/937350057.db2.gz NQWMTLABYOQRGP-JSGCOSHPSA-N 2 2 373.360 3.723 20 0 FHADLP CCn1nc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c2ccccc21 ZINC000580011531 929839523 /nfs/dbraw/zinc/83/95/23/929839523.db2.gz JEGJTCGMCOPQRJ-UHFFFAOYSA-N 2 2 351.498 3.945 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010716 929932663 /nfs/dbraw/zinc/93/26/63/929932663.db2.gz YJLZDOBIRGNLMK-HKUYNNGSSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010716 929932667 /nfs/dbraw/zinc/93/26/67/929932667.db2.gz YJLZDOBIRGNLMK-HKUYNNGSSA-N 2 2 366.509 3.653 20 0 FHADLP c1ccc(CC2CC[NH+](CCC[N@@H+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC001167337453 929992659 /nfs/dbraw/zinc/99/26/59/929992659.db2.gz SBYBHDJBPHYBLL-QFIPXVFZSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(CC2CC[NH+](CCC[N@H+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC001167337453 929992669 /nfs/dbraw/zinc/99/26/69/929992669.db2.gz SBYBHDJBPHYBLL-QFIPXVFZSA-N 2 2 372.553 3.559 20 0 FHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000160345433 930031876 /nfs/dbraw/zinc/03/18/76/930031876.db2.gz NTBVYFLJNMGTCA-QGZVFWFLSA-N 2 2 372.944 3.723 20 0 FHADLP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000261975635 930518430 /nfs/dbraw/zinc/51/84/30/930518430.db2.gz QOISBIFAMFVDKN-JTQLQIEISA-N 2 2 364.704 3.646 20 0 FHADLP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000261975635 930518439 /nfs/dbraw/zinc/51/84/39/930518439.db2.gz QOISBIFAMFVDKN-JTQLQIEISA-N 2 2 364.704 3.646 20 0 FHADLP C[C@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580363733 930573508 /nfs/dbraw/zinc/57/35/08/930573508.db2.gz LPHZISNSTXTHLC-GHTZIAJQSA-N 2 2 361.493 3.791 20 0 FHADLP C[C@H]1C[C@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580363733 930573512 /nfs/dbraw/zinc/57/35/12/930573512.db2.gz LPHZISNSTXTHLC-GHTZIAJQSA-N 2 2 361.493 3.791 20 0 FHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc4cc(Cl)cc(Cl)c4o3)C2)CC1 ZINC000683931508 930648600 /nfs/dbraw/zinc/64/86/00/930648600.db2.gz AKFXZBBGWXWGOR-GFCCVEGCSA-N 2 2 369.296 3.715 20 0 FHADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc4cc(Cl)cc(Cl)c4o3)C2)CC1 ZINC000683931508 930648610 /nfs/dbraw/zinc/64/86/10/930648610.db2.gz AKFXZBBGWXWGOR-GFCCVEGCSA-N 2 2 369.296 3.715 20 0 FHADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580873852 931289810 /nfs/dbraw/zinc/28/98/10/931289810.db2.gz RIVPOJHTFAZVSO-KRWDZBQOSA-N 2 2 372.484 3.895 20 0 FHADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580873852 931289818 /nfs/dbraw/zinc/28/98/18/931289818.db2.gz RIVPOJHTFAZVSO-KRWDZBQOSA-N 2 2 372.484 3.895 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000127301105 931308739 /nfs/dbraw/zinc/30/87/39/931308739.db2.gz OATDMCKSPYKXBN-MRXNPFEDSA-N 2 2 370.468 3.912 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)n2C ZINC000581038510 931513662 /nfs/dbraw/zinc/51/36/62/931513662.db2.gz MKVSCOSUPFONOZ-QUCCMNQESA-N 2 2 362.521 3.882 20 0 FHADLP Cc1ccc2c(c1)nc(C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)n2C ZINC000581038510 931513668 /nfs/dbraw/zinc/51/36/68/931513668.db2.gz MKVSCOSUPFONOZ-QUCCMNQESA-N 2 2 362.521 3.882 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000430553040 931811674 /nfs/dbraw/zinc/81/16/74/931811674.db2.gz SSDRYQYMUQQXPK-SGMGOOAPSA-N 2 2 368.403 3.876 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000430553040 931811677 /nfs/dbraw/zinc/81/16/77/931811677.db2.gz SSDRYQYMUQQXPK-SGMGOOAPSA-N 2 2 368.403 3.876 20 0 FHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000581394415 931947308 /nfs/dbraw/zinc/94/73/08/931947308.db2.gz JLDWMBBTWVVLJS-UHFFFAOYSA-N 2 2 368.525 3.660 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586458 931964687 /nfs/dbraw/zinc/96/46/87/931964687.db2.gz YKKSWKJIGBYLGP-STQMWFEESA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000430586458 931964689 /nfs/dbraw/zinc/96/46/89/931964689.db2.gz YKKSWKJIGBYLGP-STQMWFEESA-N 2 2 364.287 3.663 20 0 FHADLP Cc1cc(NCc2ccn3cc[nH+]c3c2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000581461581 932094180 /nfs/dbraw/zinc/09/41/80/932094180.db2.gz XTTUMHIMYQKQEY-UHFFFAOYSA-N 2 2 354.360 3.826 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCOc3ccccc32)cc1F ZINC000656789367 932426760 /nfs/dbraw/zinc/42/67/60/932426760.db2.gz WRQHVOPODWYKRJ-FTRWYGJKSA-N 2 2 358.432 3.566 20 0 FHADLP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281896352 932569736 /nfs/dbraw/zinc/56/97/36/932569736.db2.gz BFPJPSHHSOYUIY-KRWDZBQOSA-N 2 2 361.493 3.851 20 0 FHADLP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281896352 932569743 /nfs/dbraw/zinc/56/97/43/932569743.db2.gz BFPJPSHHSOYUIY-KRWDZBQOSA-N 2 2 361.493 3.851 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2ccncc2)CC1 ZINC000510468543 932752198 /nfs/dbraw/zinc/75/21/98/932752198.db2.gz DWTVURLXVUIRDT-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2ccncc2)CC1 ZINC000510468543 932752204 /nfs/dbraw/zinc/75/22/04/932752204.db2.gz DWTVURLXVUIRDT-UHFFFAOYSA-N 2 2 353.510 3.967 20 0 FHADLP CN(C(=O)CC(C)(C)C1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684439580 932822888 /nfs/dbraw/zinc/82/28/88/932822888.db2.gz FGXWWQRCXNZBPU-FQEVSTJZSA-N 2 2 363.590 3.610 20 0 FHADLP CN(C(=O)CC(C)(C)C1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684439580 932822900 /nfs/dbraw/zinc/82/29/00/932822900.db2.gz FGXWWQRCXNZBPU-FQEVSTJZSA-N 2 2 363.590 3.610 20 0 FHADLP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232867 932823974 /nfs/dbraw/zinc/82/39/74/932823974.db2.gz SDGLCRFTGFSCJZ-KDOFPFPSSA-N 2 2 374.326 3.961 20 0 FHADLP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232867 932823981 /nfs/dbraw/zinc/82/39/81/932823981.db2.gz SDGLCRFTGFSCJZ-KDOFPFPSSA-N 2 2 374.326 3.961 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156409703 932870076 /nfs/dbraw/zinc/87/00/76/932870076.db2.gz DPEDHVSNDMIJFY-VQIMIIECSA-N 2 2 354.498 3.837 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156409703 932870084 /nfs/dbraw/zinc/87/00/84/932870084.db2.gz DPEDHVSNDMIJFY-VQIMIIECSA-N 2 2 354.498 3.837 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000581911858 932996220 /nfs/dbraw/zinc/99/62/20/932996220.db2.gz MGAPEEUSKCQNSR-UZLBHIALSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000581911858 932996231 /nfs/dbraw/zinc/99/62/31/932996231.db2.gz MGAPEEUSKCQNSR-UZLBHIALSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000581911858 932996238 /nfs/dbraw/zinc/99/62/38/932996238.db2.gz MGAPEEUSKCQNSR-UZLBHIALSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000581911858 932996243 /nfs/dbraw/zinc/99/62/43/932996243.db2.gz MGAPEEUSKCQNSR-UZLBHIALSA-N 2 2 358.917 3.750 20 0 FHADLP CC(C)Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000891840934 933541854 /nfs/dbraw/zinc/54/18/54/933541854.db2.gz XSGREYIIVHDYOV-UHFFFAOYSA-N 2 2 366.553 3.814 20 0 FHADLP CC(C)Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000891840934 933541857 /nfs/dbraw/zinc/54/18/57/933541857.db2.gz XSGREYIIVHDYOV-UHFFFAOYSA-N 2 2 366.553 3.814 20 0 FHADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749030 933641209 /nfs/dbraw/zinc/64/12/09/933641209.db2.gz DTXYKOKDGIKVHB-YJBOKZPZSA-N 2 2 358.448 3.727 20 0 FHADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749030 933641211 /nfs/dbraw/zinc/64/12/11/933641211.db2.gz DTXYKOKDGIKVHB-YJBOKZPZSA-N 2 2 358.448 3.727 20 0 FHADLP CCC[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CC[NH2+]CC1 ZINC000431074462 933789139 /nfs/dbraw/zinc/78/91/39/933789139.db2.gz UPRJYRMQZPZTFB-UHFFFAOYSA-N 2 2 359.495 3.503 20 0 FHADLP CCC[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CC[NH2+]CC1 ZINC000431074462 933789144 /nfs/dbraw/zinc/78/91/44/933789144.db2.gz UPRJYRMQZPZTFB-UHFFFAOYSA-N 2 2 359.495 3.503 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000092165339 933970665 /nfs/dbraw/zinc/97/06/65/933970665.db2.gz IBBHNJGFXXTNLJ-UHFFFAOYSA-N 2 2 352.544 3.732 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000092165339 933970669 /nfs/dbraw/zinc/97/06/69/933970669.db2.gz IBBHNJGFXXTNLJ-UHFFFAOYSA-N 2 2 352.544 3.732 20 0 FHADLP COc1cccc(-c2csc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000891903993 933986738 /nfs/dbraw/zinc/98/67/38/933986738.db2.gz ATRCKQJYKWILMO-INIZCTEOSA-N 2 2 354.479 3.852 20 0 FHADLP COc1cccc(-c2csc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)n2)c1 ZINC000891903993 933986742 /nfs/dbraw/zinc/98/67/42/933986742.db2.gz ATRCKQJYKWILMO-INIZCTEOSA-N 2 2 354.479 3.852 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC000891941574 934121015 /nfs/dbraw/zinc/12/10/15/934121015.db2.gz ATZBDZHCPRETPO-FXAWDEMLSA-N 2 2 358.530 3.528 20 0 FHADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510927226 934139941 /nfs/dbraw/zinc/13/99/41/934139941.db2.gz HHKLZDBCKLMIRN-FGCOXFRFSA-N 2 2 374.532 3.920 20 0 FHADLP C[C@H](CCn1cccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510927226 934139943 /nfs/dbraw/zinc/13/99/43/934139943.db2.gz HHKLZDBCKLMIRN-FGCOXFRFSA-N 2 2 374.532 3.920 20 0 FHADLP FCCCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510954896 934222933 /nfs/dbraw/zinc/22/29/33/934222933.db2.gz VPJRKQOEILULPE-UHFFFAOYSA-N 2 2 358.255 3.881 20 0 FHADLP FCCCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510954896 934222941 /nfs/dbraw/zinc/22/29/41/934222941.db2.gz VPJRKQOEILULPE-UHFFFAOYSA-N 2 2 358.255 3.881 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000582013650 934766789 /nfs/dbraw/zinc/76/67/89/934766789.db2.gz RQBORUBXVJPGED-FQEVSTJZSA-N 2 2 354.494 3.535 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000582013650 934766792 /nfs/dbraw/zinc/76/67/92/934766792.db2.gz RQBORUBXVJPGED-FQEVSTJZSA-N 2 2 354.494 3.535 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657311821 935112226 /nfs/dbraw/zinc/11/22/26/935112226.db2.gz WCKCJNNEATWSRZ-QGZVFWFLSA-N 2 2 353.514 3.525 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657311821 935112234 /nfs/dbraw/zinc/11/22/34/935112234.db2.gz WCKCJNNEATWSRZ-QGZVFWFLSA-N 2 2 353.514 3.525 20 0 FHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146342 935114489 /nfs/dbraw/zinc/11/44/89/935114489.db2.gz XIINLFNKQUOQJJ-AWEZNQCLSA-N 2 2 353.532 3.869 20 0 FHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146342 935114492 /nfs/dbraw/zinc/11/44/92/935114492.db2.gz XIINLFNKQUOQJJ-AWEZNQCLSA-N 2 2 353.532 3.869 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146342 935114496 /nfs/dbraw/zinc/11/44/96/935114496.db2.gz XIINLFNKQUOQJJ-AWEZNQCLSA-N 2 2 353.532 3.869 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000892146342 935114500 /nfs/dbraw/zinc/11/45/00/935114500.db2.gz XIINLFNKQUOQJJ-AWEZNQCLSA-N 2 2 353.532 3.869 20 0 FHADLP C[C@@H](CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236905 935197802 /nfs/dbraw/zinc/19/78/02/935197802.db2.gz AEEMAVKIHVFJSU-OTWHNJEPSA-N 2 2 368.525 3.629 20 0 FHADLP C[C@@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236905 935197805 /nfs/dbraw/zinc/19/78/05/935197805.db2.gz AEEMAVKIHVFJSU-OTWHNJEPSA-N 2 2 368.525 3.629 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000152257032 935346149 /nfs/dbraw/zinc/34/61/49/935346149.db2.gz UIBOWFPTRSKPJR-SFHVURJKSA-N 2 2 357.461 3.968 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)c[nH+]1 ZINC000511784289 945107040 /nfs/dbraw/zinc/10/70/40/945107040.db2.gz FVFOLYXPLRIARP-ZRBLBEILSA-N 2 2 359.473 3.877 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]4COCC[C@@H]43)cc2)c[nH+]1 ZINC000511784289 945107046 /nfs/dbraw/zinc/10/70/46/945107046.db2.gz FVFOLYXPLRIARP-ZRBLBEILSA-N 2 2 359.473 3.877 20 0 FHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000559898639 935566810 /nfs/dbraw/zinc/56/68/10/935566810.db2.gz AWFUKOIOLFJBPW-WEYGHZABSA-N 2 2 350.506 3.552 20 0 FHADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000559898639 935566812 /nfs/dbraw/zinc/56/68/12/935566812.db2.gz AWFUKOIOLFJBPW-WEYGHZABSA-N 2 2 350.506 3.552 20 0 FHADLP Cc1[nH+]c2c(n1[C@@H]1CCN(c3cc(C(C)C)[nH+]c(N(C)C)n3)C1)CCCC2 ZINC000431392504 935593814 /nfs/dbraw/zinc/59/38/14/935593814.db2.gz OIPFVUAWDJEFGR-MRXNPFEDSA-N 2 2 368.529 3.501 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582420981 935685328 /nfs/dbraw/zinc/68/53/28/935685328.db2.gz RFZKJCRPVWATRJ-JPYJTQIMSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582420981 935685330 /nfs/dbraw/zinc/68/53/30/935685330.db2.gz RFZKJCRPVWATRJ-JPYJTQIMSA-N 2 2 363.505 3.756 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000431419128 935755955 /nfs/dbraw/zinc/75/59/55/935755955.db2.gz CYLJNTCVJJQNLH-ACJLOTCBSA-N 2 2 358.486 3.691 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000431419128 935755957 /nfs/dbraw/zinc/75/59/57/935755957.db2.gz CYLJNTCVJJQNLH-ACJLOTCBSA-N 2 2 358.486 3.691 20 0 FHADLP Cc1nn(-c2ccccc2)c(C)c1[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152747513 935854123 /nfs/dbraw/zinc/85/41/23/935854123.db2.gz PKAIFNCUTPTJKI-INIZCTEOSA-N 2 2 363.509 3.915 20 0 FHADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152827037 935869302 /nfs/dbraw/zinc/86/93/02/935869302.db2.gz YOCQYNRJUOALNI-JOCHJYFZSA-N 2 2 365.521 3.900 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1OC ZINC000152886328 935879248 /nfs/dbraw/zinc/87/92/48/935879248.db2.gz HJHBAMMBFQGDFO-NRFANRHFSA-N 2 2 353.510 3.838 20 0 FHADLP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1F ZINC000375724670 935899947 /nfs/dbraw/zinc/89/99/47/935899947.db2.gz MNNPKSFNFFJIHN-INIZCTEOSA-N 2 2 357.473 3.935 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000684958468 935903773 /nfs/dbraw/zinc/90/37/73/935903773.db2.gz ZYTNVZIJZJGMMJ-BQJUDKOJSA-N 2 2 353.510 3.889 20 0 FHADLP Brc1ccc(CCC[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001207315891 935932899 /nfs/dbraw/zinc/93/28/99/935932899.db2.gz LRIJMUMZVRCCNQ-UHFFFAOYSA-N 2 2 363.343 3.799 20 0 FHADLP Brc1ccc(CCC[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)cc1 ZINC001207315891 935932903 /nfs/dbraw/zinc/93/29/03/935932903.db2.gz LRIJMUMZVRCCNQ-UHFFFAOYSA-N 2 2 363.343 3.799 20 0 FHADLP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698198 935954057 /nfs/dbraw/zinc/95/40/57/935954057.db2.gz XOYXNQPJNGHQGU-LEWJYISDSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698198 935954060 /nfs/dbraw/zinc/95/40/60/935954060.db2.gz XOYXNQPJNGHQGU-LEWJYISDSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698198 935954061 /nfs/dbraw/zinc/95/40/61/935954061.db2.gz XOYXNQPJNGHQGU-LEWJYISDSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000582698198 935954063 /nfs/dbraw/zinc/95/40/63/935954063.db2.gz XOYXNQPJNGHQGU-LEWJYISDSA-N 2 2 364.537 3.728 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000657550011 936009634 /nfs/dbraw/zinc/00/96/34/936009634.db2.gz MWMAHOHNDMZDBK-RHSMWYFYSA-N 2 2 364.415 3.638 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000657550011 936009637 /nfs/dbraw/zinc/00/96/37/936009637.db2.gz MWMAHOHNDMZDBK-RHSMWYFYSA-N 2 2 364.415 3.638 20 0 FHADLP Clc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000075758109 936019178 /nfs/dbraw/zinc/01/91/78/936019178.db2.gz CXOJJFBENAMIOR-UHFFFAOYSA-N 2 2 369.852 3.646 20 0 FHADLP C[NH+](C)CC[C@H](c1ccc(NCc2cc[nH+]c(N)c2)cc1)c1ccccn1 ZINC001167616908 936118050 /nfs/dbraw/zinc/11/80/50/936118050.db2.gz SCAJTYIQZWJRQW-HXUWFJFHSA-N 2 2 361.493 3.755 20 0 FHADLP CNc1ccc(N(c2cc(OC)cc3cccnc32)[C@@H](C)CCC[NH3+])c[nH+]1 ZINC001167616483 936121188 /nfs/dbraw/zinc/12/11/88/936121188.db2.gz YPVULDILJRZWCJ-HNNXBMFYSA-N 2 2 365.481 3.946 20 0 FHADLP CC[N@H+](Cc1cncc(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000582863429 936230991 /nfs/dbraw/zinc/23/09/91/936230991.db2.gz HUXZALNPFQLRQJ-UHFFFAOYSA-N 2 2 371.504 3.933 20 0 FHADLP CC[N@@H+](Cc1cncc(F)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000582863429 936230996 /nfs/dbraw/zinc/23/09/96/936230996.db2.gz HUXZALNPFQLRQJ-UHFFFAOYSA-N 2 2 371.504 3.933 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(C)nn(C)c1C ZINC000133744336 936258569 /nfs/dbraw/zinc/25/85/69/936258569.db2.gz VBJIZHIJXJFZLF-NRFANRHFSA-N 2 2 372.532 3.924 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514207 938288459 /nfs/dbraw/zinc/28/84/59/938288459.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 2 363.549 3.858 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514207 938288460 /nfs/dbraw/zinc/28/84/60/938288460.db2.gz NHZNFBNHCCKTKG-VEXUSMLFSA-N 2 2 363.549 3.858 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514208 938288490 /nfs/dbraw/zinc/28/84/90/938288490.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 2 363.549 3.858 20 0 FHADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCc2ccccc2C1 ZINC000583514208 938288491 /nfs/dbraw/zinc/28/84/91/938288491.db2.gz NHZNFBNHCCKTKG-YGOYIFOWSA-N 2 2 363.549 3.858 20 0 FHADLP Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000189084132 938435812 /nfs/dbraw/zinc/43/58/12/938435812.db2.gz OKXLZBNFLIWHCG-XMSQKQJNSA-N 2 2 374.488 3.632 20 0 FHADLP Fc1ccc(-n2cc(C[NH+]3CCC(CCCn4cc[nH+]c4)CC3)cn2)cc1 ZINC000583839403 938443101 /nfs/dbraw/zinc/44/31/01/938443101.db2.gz GZKJKGBJVKRCBF-UHFFFAOYSA-N 2 2 367.472 3.900 20 0 FHADLP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CCC2 ZINC000132517411 938526748 /nfs/dbraw/zinc/52/67/48/938526748.db2.gz YTFIHNRQIQWVOJ-MRXNPFEDSA-N 2 2 364.415 3.843 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc([S@](C)=O)cc1 ZINC000151340659 938529479 /nfs/dbraw/zinc/52/94/79/938529479.db2.gz OJJPJWOVIHQVDP-IVCQMTBJSA-N 2 2 353.491 3.520 20 0 FHADLP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635484532 938606381 /nfs/dbraw/zinc/60/63/81/938606381.db2.gz YQZZUAMQDDJDCY-INIZCTEOSA-N 2 2 366.387 3.741 20 0 FHADLP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)c2C1 ZINC000635484532 938606383 /nfs/dbraw/zinc/60/63/83/938606383.db2.gz YQZZUAMQDDJDCY-INIZCTEOSA-N 2 2 366.387 3.741 20 0 FHADLP Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000151630020 938607575 /nfs/dbraw/zinc/60/75/75/938607575.db2.gz IYPOZUVNVNXVMQ-UHFFFAOYSA-N 2 2 359.271 3.605 20 0 FHADLP Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000151630020 938607577 /nfs/dbraw/zinc/60/75/77/938607577.db2.gz IYPOZUVNVNXVMQ-UHFFFAOYSA-N 2 2 359.271 3.605 20 0 FHADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000151781397 938676016 /nfs/dbraw/zinc/67/60/16/938676016.db2.gz XVEJYOWAETXAJQ-DNVCBOLYSA-N 2 2 374.525 3.617 20 0 FHADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000151781397 938676018 /nfs/dbraw/zinc/67/60/18/938676018.db2.gz XVEJYOWAETXAJQ-DNVCBOLYSA-N 2 2 374.525 3.617 20 0 FHADLP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000091824744 938907835 /nfs/dbraw/zinc/90/78/35/938907835.db2.gz LNVXQQAFYPSIKH-UHFFFAOYSA-N 2 2 374.488 3.822 20 0 FHADLP C[NH+](C)Cc1cc(-c2noc([C@H](c3ccccc3)[NH+](C)C)n2)ccc1F ZINC000685312973 938922643 /nfs/dbraw/zinc/92/26/43/938922643.db2.gz KWVDGJUAAKTZAR-SFHVURJKSA-N 2 2 354.429 3.588 20 0 FHADLP Clc1ccc(-n2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093865786 938930790 /nfs/dbraw/zinc/93/07/90/938930790.db2.gz DGDHMXYZFBAOJF-LJQANCHMSA-N 2 2 354.841 3.574 20 0 FHADLP Clc1ccc(-n2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cn2)cc1 ZINC000093865786 938930791 /nfs/dbraw/zinc/93/07/91/938930791.db2.gz DGDHMXYZFBAOJF-LJQANCHMSA-N 2 2 354.841 3.574 20 0 FHADLP COc1cccc2c1CC[N@H+](Cc1nc3c(s1)C[NH+](C(C)C)CC3)CC2 ZINC000426569864 945218947 /nfs/dbraw/zinc/21/89/47/945218947.db2.gz FOSRDUDKOJJSSU-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1cccc2c1CC[N@@H+](Cc1nc3c(s1)C[NH+](C(C)C)CC3)CC2 ZINC000426569864 945218954 /nfs/dbraw/zinc/21/89/54/945218954.db2.gz FOSRDUDKOJJSSU-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1cccc2c1CC[NH+](Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)CC2 ZINC000426569864 945218959 /nfs/dbraw/zinc/21/89/59/945218959.db2.gz FOSRDUDKOJJSSU-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP COc1cccc2c1CC[NH+](Cc1nc3c(s1)C[N@H+](C(C)C)CC3)CC2 ZINC000426569864 945218966 /nfs/dbraw/zinc/21/89/66/945218966.db2.gz FOSRDUDKOJJSSU-UHFFFAOYSA-N 2 2 371.550 3.519 20 0 FHADLP CC(C)C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)n1cc[nH+]c1 ZINC000635563839 938970241 /nfs/dbraw/zinc/97/02/41/938970241.db2.gz YPEHVFDUJCYPQR-OAQYLSRUSA-N 2 2 368.525 3.593 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000685459553 938989227 /nfs/dbraw/zinc/98/92/27/938989227.db2.gz GJKUDUZHKXILPK-UHFFFAOYSA-N 2 2 353.470 3.867 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246928865 938997941 /nfs/dbraw/zinc/99/79/41/938997941.db2.gz BUJYSTRURKMEMN-QIIPPGSGSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246928865 938997942 /nfs/dbraw/zinc/99/79/42/938997942.db2.gz BUJYSTRURKMEMN-QIIPPGSGSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1cccnc1C[NH+]1CCCC2(CCC[N@@H+](Cc3ncccc3C)C2)C1 ZINC000685593141 939003061 /nfs/dbraw/zinc/00/30/61/939003061.db2.gz CZBMWZRFWZCGHC-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Cc1cccnc1C[NH+]1CCCC2(CCC[N@H+](Cc3ncccc3C)C2)C1 ZINC000685593141 939003062 /nfs/dbraw/zinc/00/30/62/939003062.db2.gz CZBMWZRFWZCGHC-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2cc1OC ZINC000657981375 939015515 /nfs/dbraw/zinc/01/55/15/939015515.db2.gz QIIIBDFUFDZZCS-KSSFIOAISA-N 2 2 351.450 3.719 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658055071 939020947 /nfs/dbraw/zinc/02/09/47/939020947.db2.gz HVLPQPHVAMXRKT-UONOGXRCSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658055071 939020948 /nfs/dbraw/zinc/02/09/48/939020948.db2.gz HVLPQPHVAMXRKT-UONOGXRCSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658077483 939021153 /nfs/dbraw/zinc/02/11/53/939021153.db2.gz CXMCIFSWBZGNML-BBRMVZONSA-N 2 2 356.436 3.628 20 0 FHADLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658100125 939025938 /nfs/dbraw/zinc/02/59/38/939025938.db2.gz GLXJCECLMUBGHI-RXVVDRJESA-N 2 2 356.558 3.815 20 0 FHADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CSC2 ZINC000658185591 939059879 /nfs/dbraw/zinc/05/98/79/939059879.db2.gz JHRUYVDVVNENNB-QGZVFWFLSA-N 2 2 367.356 3.953 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215704 939077580 /nfs/dbraw/zinc/07/75/80/939077580.db2.gz VPKKOQSDOJBIDN-GCJKJVERSA-N 2 2 362.521 3.616 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215704 939077584 /nfs/dbraw/zinc/07/75/84/939077584.db2.gz VPKKOQSDOJBIDN-GCJKJVERSA-N 2 2 362.521 3.616 20 0 FHADLP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658292245 939099468 /nfs/dbraw/zinc/09/94/68/939099468.db2.gz SHDBAAAJKLEGMX-ZBFHGGJFSA-N 2 2 354.441 3.500 20 0 FHADLP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000519220780 945227249 /nfs/dbraw/zinc/22/72/49/945227249.db2.gz VPMNTNUZJMIWFU-PTNGSMBKSA-N 2 2 356.432 3.809 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421838348 939129119 /nfs/dbraw/zinc/12/91/19/939129119.db2.gz UNDSEFZXXCOIJT-FXAWDEMLSA-N 2 2 350.510 3.539 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(Br)c1 ZINC000375791717 939210543 /nfs/dbraw/zinc/21/05/43/939210543.db2.gz PCWDWFLSXQUHAR-AWEZNQCLSA-N 2 2 364.287 3.630 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440129257 945249572 /nfs/dbraw/zinc/24/95/72/945249572.db2.gz HKQXGGAJNNEKEZ-SFHVURJKSA-N 2 2 358.873 3.871 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440129257 945249582 /nfs/dbraw/zinc/24/95/82/945249582.db2.gz HKQXGGAJNNEKEZ-SFHVURJKSA-N 2 2 358.873 3.871 20 0 FHADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000177340550 940126397 /nfs/dbraw/zinc/12/63/97/940126397.db2.gz IVTZGVGATYUKPJ-HXUWFJFHSA-N 2 2 373.541 3.640 20 0 FHADLP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000177340550 940126399 /nfs/dbraw/zinc/12/63/99/940126399.db2.gz IVTZGVGATYUKPJ-HXUWFJFHSA-N 2 2 373.541 3.640 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303304 /nfs/dbraw/zinc/30/33/04/945303304.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 2 2 363.549 3.790 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000507526210 945303309 /nfs/dbraw/zinc/30/33/09/945303309.db2.gz LKWNBYIRLRAFQE-KEZOAJOQSA-N 2 2 363.549 3.790 20 0 FHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414080017 940485697 /nfs/dbraw/zinc/48/56/97/940485697.db2.gz UEKBLYIOCQVMSR-CQSZACIVSA-N 2 2 361.511 3.622 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000472575002 940889899 /nfs/dbraw/zinc/88/98/99/940889899.db2.gz UBDXUADJNCXUPI-KRWDZBQOSA-N 2 2 367.940 3.514 20 0 FHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2c(F)cccc2Cl)CC1 ZINC000472575002 940889902 /nfs/dbraw/zinc/88/99/02/940889902.db2.gz UBDXUADJNCXUPI-KRWDZBQOSA-N 2 2 367.940 3.514 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NC3CCC4(CCCO4)CC3)[nH+]c2)CC1 ZINC000376405414 940931761 /nfs/dbraw/zinc/93/17/61/940931761.db2.gz ABXNXSXYNHBITD-UHFFFAOYSA-N 2 2 358.530 3.516 20 0 FHADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186318052 940982005 /nfs/dbraw/zinc/98/20/05/940982005.db2.gz DJEHNDKDNFHQNQ-QFIPXVFZSA-N 2 2 374.488 3.609 20 0 FHADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186318052 940982011 /nfs/dbraw/zinc/98/20/11/940982011.db2.gz DJEHNDKDNFHQNQ-QFIPXVFZSA-N 2 2 374.488 3.609 20 0 FHADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186318893 940982035 /nfs/dbraw/zinc/98/20/35/940982035.db2.gz LDFFOUGNVWOMNJ-QFIPXVFZSA-N 2 2 374.488 3.609 20 0 FHADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186318893 940982038 /nfs/dbraw/zinc/98/20/38/940982038.db2.gz LDFFOUGNVWOMNJ-QFIPXVFZSA-N 2 2 374.488 3.609 20 0 FHADLP Cc1ccc(C)c(OCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177258835 941109748 /nfs/dbraw/zinc/10/97/48/941109748.db2.gz PNQUHZTXEQMIBI-UHFFFAOYSA-N 2 2 367.537 3.716 20 0 FHADLP Cc1ccc(C)c(OCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177258835 941109749 /nfs/dbraw/zinc/10/97/49/941109749.db2.gz PNQUHZTXEQMIBI-UHFFFAOYSA-N 2 2 367.537 3.716 20 0 FHADLP CCOCOc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000782963414 941345896 /nfs/dbraw/zinc/34/58/96/941345896.db2.gz JDOUSYAINCOLQD-SFHVURJKSA-N 2 2 369.509 3.770 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820997 941438186 /nfs/dbraw/zinc/43/81/86/941438186.db2.gz CLDLBTYDAVIURX-UYAOXDASSA-N 2 2 352.526 3.710 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccccc1N(C)C ZINC000376820997 941438187 /nfs/dbraw/zinc/43/81/87/941438187.db2.gz CLDLBTYDAVIURX-UYAOXDASSA-N 2 2 352.526 3.710 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000415064716 941578171 /nfs/dbraw/zinc/57/81/71/941578171.db2.gz LHBQUKSZRSNTTM-MRXNPFEDSA-N 2 2 350.409 3.649 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000415072017 941588895 /nfs/dbraw/zinc/58/88/95/941588895.db2.gz XJSWMSYKQAKHGB-INIZCTEOSA-N 2 2 350.409 3.649 20 0 FHADLP O=C1[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078818 941591117 /nfs/dbraw/zinc/59/11/17/941591117.db2.gz HBJROFOLQQNBCU-QXAKKESOSA-N 2 2 369.896 3.528 20 0 FHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770655 941730843 /nfs/dbraw/zinc/73/08/43/941730843.db2.gz MKBMZRDCZRWIBJ-ILWGZMRPSA-N 2 2 356.485 3.749 20 0 FHADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770655 941730847 /nfs/dbraw/zinc/73/08/47/941730847.db2.gz MKBMZRDCZRWIBJ-ILWGZMRPSA-N 2 2 356.485 3.749 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513264188 941815861 /nfs/dbraw/zinc/81/58/61/941815861.db2.gz VFORGSCSGOIIOV-HXUWFJFHSA-N 2 2 374.488 3.575 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000513264188 941815865 /nfs/dbraw/zinc/81/58/65/941815865.db2.gz VFORGSCSGOIIOV-HXUWFJFHSA-N 2 2 374.488 3.575 20 0 FHADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625900 941865591 /nfs/dbraw/zinc/86/55/91/941865591.db2.gz WKKUINRQKMIUEW-NRFANRHFSA-N 2 2 369.484 3.655 20 0 FHADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644625900 941865594 /nfs/dbraw/zinc/86/55/94/941865594.db2.gz WKKUINRQKMIUEW-NRFANRHFSA-N 2 2 369.484 3.655 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc3c(s2)CCCC3)CC1 ZINC000513477368 941954782 /nfs/dbraw/zinc/95/47/82/941954782.db2.gz ROFKRRJXYUQSLV-UHFFFAOYSA-N 2 2 361.477 3.571 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1csc(COc3ccccc3)n1)CCC2 ZINC000377833185 942029102 /nfs/dbraw/zinc/02/91/02/942029102.db2.gz XDOKCEAPDJSIOD-MRXNPFEDSA-N 2 2 368.506 3.894 20 0 FHADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006697 942045801 /nfs/dbraw/zinc/04/58/01/942045801.db2.gz QRTPLKFWZYSEFP-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006697 942045805 /nfs/dbraw/zinc/04/58/05/942045805.db2.gz QRTPLKFWZYSEFP-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434006697 942045809 /nfs/dbraw/zinc/04/58/09/942045809.db2.gz QRTPLKFWZYSEFP-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434006697 942045814 /nfs/dbraw/zinc/04/58/14/942045814.db2.gz QRTPLKFWZYSEFP-UNMCSNQZSA-N 2 2 353.510 3.994 20 0 FHADLP Cc1nn(C(C)C)c(C)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000893137038 942100697 /nfs/dbraw/zinc/10/06/97/942100697.db2.gz WZOHIZSUPWRRIJ-UHFFFAOYSA-N 2 2 370.545 3.618 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217109 942132085 /nfs/dbraw/zinc/13/20/85/942132085.db2.gz IYRVBHLBJNLSRF-ZENOOKHLSA-N 2 2 362.823 3.609 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217109 942132088 /nfs/dbraw/zinc/13/20/88/942132088.db2.gz IYRVBHLBJNLSRF-ZENOOKHLSA-N 2 2 362.823 3.609 20 0 FHADLP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000415920275 942156246 /nfs/dbraw/zinc/15/62/46/942156246.db2.gz ONMNOIQMDUACDB-MRXNPFEDSA-N 2 2 372.538 3.768 20 0 FHADLP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697677 942204611 /nfs/dbraw/zinc/20/46/11/942204611.db2.gz QNEGVVZQRGFQNF-CMOCDZPBSA-N 2 2 364.537 3.547 20 0 FHADLP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697677 942204614 /nfs/dbraw/zinc/20/46/14/942204614.db2.gz QNEGVVZQRGFQNF-CMOCDZPBSA-N 2 2 364.537 3.547 20 0 FHADLP COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420901232 942245356 /nfs/dbraw/zinc/24/53/56/942245356.db2.gz KHQQIIZFVZLUNA-GOSISDBHSA-N 2 2 354.494 3.720 20 0 FHADLP COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420901232 942245359 /nfs/dbraw/zinc/24/53/59/942245359.db2.gz KHQQIIZFVZLUNA-GOSISDBHSA-N 2 2 354.494 3.720 20 0 FHADLP COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420931489 942260867 /nfs/dbraw/zinc/26/08/67/942260867.db2.gz FXGLVVSMFSYHIL-UHFFFAOYSA-N 2 2 354.494 3.552 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951981 942272926 /nfs/dbraw/zinc/27/29/26/942272926.db2.gz RKJPGITULDDDTM-RTBURBONSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951981 942272928 /nfs/dbraw/zinc/27/29/28/942272928.db2.gz RKJPGITULDDDTM-RTBURBONSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951981 942272929 /nfs/dbraw/zinc/27/29/29/942272929.db2.gz RKJPGITULDDDTM-RTBURBONSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951981 942272932 /nfs/dbraw/zinc/27/29/32/942272932.db2.gz RKJPGITULDDDTM-RTBURBONSA-N 2 2 370.459 3.942 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984672 942282371 /nfs/dbraw/zinc/28/23/71/942282371.db2.gz UGIHLAASGLCOAP-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984672 942282375 /nfs/dbraw/zinc/28/23/75/942282375.db2.gz UGIHLAASGLCOAP-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984672 942282379 /nfs/dbraw/zinc/28/23/79/942282379.db2.gz UGIHLAASGLCOAP-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000420984672 942282383 /nfs/dbraw/zinc/28/23/83/942282383.db2.gz UGIHLAASGLCOAP-INIZCTEOSA-N 2 2 351.485 3.518 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421047424 942316579 /nfs/dbraw/zinc/31/65/79/942316579.db2.gz YEQJTNKZADGNAD-QGZVFWFLSA-N 2 2 362.315 3.822 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000421047424 942316583 /nfs/dbraw/zinc/31/65/83/942316583.db2.gz YEQJTNKZADGNAD-QGZVFWFLSA-N 2 2 362.315 3.822 20 0 FHADLP C[NH+]1CCC(CNC(=O)C[C@@H]2CCCCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000501142583 942326769 /nfs/dbraw/zinc/32/67/69/942326769.db2.gz OIDICNGWDFEQHG-IBGZPJMESA-N 2 2 363.590 3.659 20 0 FHADLP C[C@H]([NH2+]C1(C[NH2+][C@@H]2CCCC23CCOCC3)CCOCC1)c1ccccc1 ZINC000502279402 942328986 /nfs/dbraw/zinc/32/89/86/942328986.db2.gz HCJPIKNOMVTYFK-PZJWPPBQSA-N 2 2 372.553 3.825 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1 ZINC000502323341 942354840 /nfs/dbraw/zinc/35/48/40/942354840.db2.gz VHRFTJCTIHBMKT-KRWDZBQOSA-N 2 2 355.482 3.616 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(OC)c1 ZINC000502323341 942354843 /nfs/dbraw/zinc/35/48/43/942354843.db2.gz VHRFTJCTIHBMKT-KRWDZBQOSA-N 2 2 355.482 3.616 20 0 FHADLP CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cs1 ZINC000236813240 942379277 /nfs/dbraw/zinc/37/92/77/942379277.db2.gz ACTLBDVWTYRHDI-UHFFFAOYSA-N 2 2 374.554 3.646 20 0 FHADLP CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cs1 ZINC000236813240 942379280 /nfs/dbraw/zinc/37/92/80/942379280.db2.gz ACTLBDVWTYRHDI-UHFFFAOYSA-N 2 2 374.554 3.646 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205352 942387198 /nfs/dbraw/zinc/38/71/98/942387198.db2.gz VVQKHNRWYLDWLM-HOTGVXAUSA-N 2 2 365.481 3.881 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205352 942387203 /nfs/dbraw/zinc/38/72/03/942387203.db2.gz VVQKHNRWYLDWLM-HOTGVXAUSA-N 2 2 365.481 3.881 20 0 FHADLP c1cncc([C@@H]2CCC[C@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000501377383 942441132 /nfs/dbraw/zinc/44/11/32/942441132.db2.gz KWRWFLLRHVFKDA-GGAORHGYSA-N 2 2 365.521 3.730 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(CNc3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000421318755 942492931 /nfs/dbraw/zinc/49/29/31/942492931.db2.gz HUMIYWCFCILSDQ-UHFFFAOYSA-N 2 2 353.495 3.707 20 0 FHADLP CC(C)[N@H+]1CCc2nc(CNc3ccc(-n4cc[nH+]c4)cc3)sc2C1 ZINC000421318755 942492933 /nfs/dbraw/zinc/49/29/33/942492933.db2.gz HUMIYWCFCILSDQ-UHFFFAOYSA-N 2 2 353.495 3.707 20 0 FHADLP CC[NH+](CC)CCCC1CC[NH+](Cn2nc(N(C)C)sc2=S)CC1 ZINC000181458088 942550086 /nfs/dbraw/zinc/55/00/86/942550086.db2.gz PEMCMNUYHOKBAU-UHFFFAOYSA-N 2 2 371.620 3.532 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967191 942605258 /nfs/dbraw/zinc/60/52/58/942605258.db2.gz JSPMHJBCYXYYKB-SFTDATJTSA-N 2 2 365.606 3.998 20 0 FHADLP CCCC(CCC)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967191 942605261 /nfs/dbraw/zinc/60/52/61/942605261.db2.gz JSPMHJBCYXYYKB-SFTDATJTSA-N 2 2 365.606 3.998 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420286266 942605967 /nfs/dbraw/zinc/60/59/67/942605967.db2.gz GCLSHSGZPWUZBK-CUWPLCDZSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420286266 942605971 /nfs/dbraw/zinc/60/59/71/942605971.db2.gz GCLSHSGZPWUZBK-CUWPLCDZSA-N 2 2 351.494 3.734 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)on1 ZINC000420318578 942619948 /nfs/dbraw/zinc/61/99/48/942619948.db2.gz QJOJIOBLITWYCS-LPHOPBHVSA-N 2 2 363.461 3.687 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)on1 ZINC000420318578 942619952 /nfs/dbraw/zinc/61/99/52/942619952.db2.gz QJOJIOBLITWYCS-LPHOPBHVSA-N 2 2 363.461 3.687 20 0 FHADLP C[C@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000420391891 942652818 /nfs/dbraw/zinc/65/28/18/942652818.db2.gz BEYQEOKJFADAEY-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000420391891 942652821 /nfs/dbraw/zinc/65/28/21/942652821.db2.gz BEYQEOKJFADAEY-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C2CCCC2)c1 ZINC000502683368 942656724 /nfs/dbraw/zinc/65/67/24/942656724.db2.gz KOIOELZIOBUQBD-GOSISDBHSA-N 2 2 368.525 3.681 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404205 942662788 /nfs/dbraw/zinc/66/27/88/942662788.db2.gz LXVIYTAUTCPWHI-KZNAEPCWSA-N 2 2 367.493 3.723 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404205 942662791 /nfs/dbraw/zinc/66/27/91/942662791.db2.gz LXVIYTAUTCPWHI-KZNAEPCWSA-N 2 2 367.493 3.723 20 0 FHADLP CC(C)Cn1ccnc1C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000378439746 942773271 /nfs/dbraw/zinc/77/32/71/942773271.db2.gz UMMHLOYMVDTDKB-LJQANCHMSA-N 2 2 368.525 3.617 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccncc1Cl ZINC000421824199 942832961 /nfs/dbraw/zinc/83/29/61/942832961.db2.gz HLWXLVKVFMSOBP-HZPDHXFCSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccncc1Cl ZINC000421824199 942832963 /nfs/dbraw/zinc/83/29/63/942832963.db2.gz HLWXLVKVFMSOBP-HZPDHXFCSA-N 2 2 359.901 3.807 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000422018682 942953894 /nfs/dbraw/zinc/95/38/94/942953894.db2.gz KJPYMJHQJFGKIJ-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000422018682 942953897 /nfs/dbraw/zinc/95/38/97/942953897.db2.gz KJPYMJHQJFGKIJ-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc2ccccc2c1 ZINC000434979658 943083009 /nfs/dbraw/zinc/08/30/09/943083009.db2.gz VTSLPPDZLRCSDG-INIZCTEOSA-N 2 2 362.477 3.620 20 0 FHADLP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1Br ZINC000710963419 943100744 /nfs/dbraw/zinc/10/07/44/943100744.db2.gz LTHCGWGIWSOHLH-UHFFFAOYSA-N 2 2 351.313 3.788 20 0 FHADLP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1Br ZINC000710963419 943100752 /nfs/dbraw/zinc/10/07/52/943100752.db2.gz LTHCGWGIWSOHLH-UHFFFAOYSA-N 2 2 351.313 3.788 20 0 FHADLP Cc1nc2c(s1)[C@H](Nc1ccc(N3CCC([NH+](C)C)CC3)c[nH+]1)CCC2 ZINC000272315551 943135461 /nfs/dbraw/zinc/13/54/61/943135461.db2.gz UUMWBZOZNWZOTK-GOSISDBHSA-N 2 2 371.554 3.866 20 0 FHADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000503366102 943141059 /nfs/dbraw/zinc/14/10/59/943141059.db2.gz IOOZDTVSXJNDOW-QGZVFWFLSA-N 2 2 371.456 3.525 20 0 FHADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000503366102 943141063 /nfs/dbraw/zinc/14/10/63/943141063.db2.gz IOOZDTVSXJNDOW-QGZVFWFLSA-N 2 2 371.456 3.525 20 0 FHADLP CC(C)([NH3+])c1noc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000514603726 943141670 /nfs/dbraw/zinc/14/16/70/943141670.db2.gz ZWHJOPGYVAVYTN-QGZVFWFLSA-N 2 2 370.884 3.990 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408629 943167616 /nfs/dbraw/zinc/16/76/16/943167616.db2.gz UBPBRVANPJHTIT-GBESFXJTSA-N 2 2 372.557 3.578 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408629 943167618 /nfs/dbraw/zinc/16/76/18/943167618.db2.gz UBPBRVANPJHTIT-GBESFXJTSA-N 2 2 372.557 3.578 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408636 943167802 /nfs/dbraw/zinc/16/78/02/943167802.db2.gz UBPBRVANPJHTIT-IPMKNSEASA-N 2 2 372.557 3.578 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408636 943167805 /nfs/dbraw/zinc/16/78/05/943167805.db2.gz UBPBRVANPJHTIT-IPMKNSEASA-N 2 2 372.557 3.578 20 0 FHADLP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCc1ccc(F)cc1 ZINC000422563609 943183339 /nfs/dbraw/zinc/18/33/39/943183339.db2.gz TYELLDLWYCSDET-UHFFFAOYSA-N 2 2 370.468 3.741 20 0 FHADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438669 943185263 /nfs/dbraw/zinc/18/52/63/943185263.db2.gz SKDBFJMSBDYDMA-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP CCOc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438669 943185264 /nfs/dbraw/zinc/18/52/64/943185264.db2.gz SKDBFJMSBDYDMA-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272659344 943195885 /nfs/dbraw/zinc/19/58/85/943195885.db2.gz HIUXSFHEJMPANG-OAHLLOKOSA-N 2 2 353.495 3.648 20 0 FHADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138578 943214287 /nfs/dbraw/zinc/21/42/87/943214287.db2.gz NOJKXVLIQDTHIU-GOSISDBHSA-N 2 2 353.293 3.797 20 0 FHADLP C[N@H+]1CC[C@@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138578 943214297 /nfs/dbraw/zinc/21/42/97/943214297.db2.gz NOJKXVLIQDTHIU-GOSISDBHSA-N 2 2 353.293 3.797 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138578 943214299 /nfs/dbraw/zinc/21/42/99/943214299.db2.gz NOJKXVLIQDTHIU-GOSISDBHSA-N 2 2 353.293 3.797 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138578 943214304 /nfs/dbraw/zinc/21/43/04/943214304.db2.gz NOJKXVLIQDTHIU-GOSISDBHSA-N 2 2 353.293 3.797 20 0 FHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732365 943260147 /nfs/dbraw/zinc/26/01/47/943260147.db2.gz KRLUTIVFAPYGKQ-KBXCAEBGSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732365 943260153 /nfs/dbraw/zinc/26/01/53/943260153.db2.gz KRLUTIVFAPYGKQ-KBXCAEBGSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000514732365 943260156 /nfs/dbraw/zinc/26/01/56/943260156.db2.gz KRLUTIVFAPYGKQ-KBXCAEBGSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000514732365 943260161 /nfs/dbraw/zinc/26/01/61/943260161.db2.gz KRLUTIVFAPYGKQ-KBXCAEBGSA-N 2 2 362.901 3.560 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765693 943285612 /nfs/dbraw/zinc/28/56/12/943285612.db2.gz RBFOXJDFADBZDD-PSBWJHGTSA-N 3 2 369.475 3.805 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765693 943285613 /nfs/dbraw/zinc/28/56/13/943285613.db2.gz RBFOXJDFADBZDD-PSBWJHGTSA-N 3 2 369.475 3.805 20 0 FHADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000422796308 943286496 /nfs/dbraw/zinc/28/64/96/943286496.db2.gz YEXUGZCJOMLHKF-LSDHHAIUSA-N 2 2 351.372 3.862 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000422830050 943298276 /nfs/dbraw/zinc/29/82/76/943298276.db2.gz QRKLQPMGVWWXGX-GQWLDOHISA-N 2 2 360.448 3.605 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422883876 943316895 /nfs/dbraw/zinc/31/68/95/943316895.db2.gz DBRCFICOMKZUTE-VKJFTORMSA-N 2 2 359.539 3.845 20 0 FHADLP COc1ccc(C[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913923 943329089 /nfs/dbraw/zinc/32/90/89/943329089.db2.gz ZKARTNXXUSFMCX-VDGAXYAQSA-N 2 2 354.494 3.718 20 0 FHADLP COc1ccc(C[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913915 943329096 /nfs/dbraw/zinc/32/90/96/943329096.db2.gz ZKARTNXXUSFMCX-FFZOFVMBSA-N 2 2 354.494 3.718 20 0 FHADLP c1ccc(-n2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c3c2CCC3)cc1 ZINC000422948293 943345709 /nfs/dbraw/zinc/34/57/09/943345709.db2.gz RBBXLWDRMMAQOI-CEWLAPEOSA-N 2 2 364.537 3.761 20 0 FHADLP COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422991023 943352215 /nfs/dbraw/zinc/35/22/15/943352215.db2.gz OZWRHMZVXKCWKW-QVKFZJNVSA-N 2 2 351.450 3.891 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008285 943363722 /nfs/dbraw/zinc/36/37/22/943363722.db2.gz ZRLLTYBFUROGNK-GCJKJVERSA-N 3 2 363.509 3.754 20 0 FHADLP COc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccn1 ZINC000423016970 943365816 /nfs/dbraw/zinc/36/58/16/943365816.db2.gz VETPTTYMFKEJRW-KSFYIVLOSA-N 2 2 362.477 3.693 20 0 FHADLP C[C@H]([NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423041665 943375129 /nfs/dbraw/zinc/37/51/29/943375129.db2.gz XQGLTVNWQCSOLQ-TVQRCGJNSA-N 2 2 351.210 3.640 20 0 FHADLP FC(F)Oc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435392376 943378975 /nfs/dbraw/zinc/37/89/75/943378975.db2.gz WISPDBHLOPGXDL-GOSISDBHSA-N 2 2 361.436 3.827 20 0 FHADLP FC(F)Oc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435392376 943378980 /nfs/dbraw/zinc/37/89/80/943378980.db2.gz WISPDBHLOPGXDL-GOSISDBHSA-N 2 2 361.436 3.827 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423078116 943385686 /nfs/dbraw/zinc/38/56/86/943385686.db2.gz NVEIIHAUYZXXIO-YPMHNXCESA-N 2 2 362.823 3.705 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000423094541 943391964 /nfs/dbraw/zinc/39/19/64/943391964.db2.gz KJAPPTLWEFMYHW-MEDUHNTESA-N 2 2 354.281 3.540 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431448 943409661 /nfs/dbraw/zinc/40/96/61/943409661.db2.gz DGXPFYSQVPQBMT-OAQYLSRUSA-N 2 2 364.537 3.536 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431448 943409663 /nfs/dbraw/zinc/40/96/63/943409663.db2.gz DGXPFYSQVPQBMT-OAQYLSRUSA-N 2 2 364.537 3.536 20 0 FHADLP Clc1ccccc1[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423211024 943432870 /nfs/dbraw/zinc/43/28/70/943432870.db2.gz KOFHFMZNCJBHLB-QVKFZJNVSA-N 2 2 372.896 3.790 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423187424 943434119 /nfs/dbraw/zinc/43/41/19/943434119.db2.gz PKLHNJXOPRLUAB-FDTGPBLFSA-N 2 2 366.505 3.890 20 0 FHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1F ZINC000423193365 943437101 /nfs/dbraw/zinc/43/71/01/943437101.db2.gz XGZOGTDXDNGHIU-ZDUSSCGKSA-N 2 2 366.278 3.814 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000423224523 943449786 /nfs/dbraw/zinc/44/97/86/943449786.db2.gz CGUWVBLFZFBVDQ-CYBMUJFWSA-N 2 2 366.387 3.563 20 0 FHADLP COc1ccc([C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc2)cc1 ZINC000423224536 943449932 /nfs/dbraw/zinc/44/99/32/943449932.db2.gz CJFCDOCJNVOFMX-HSZRJFAPSA-N 2 2 374.488 3.701 20 0 FHADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423282416 943463386 /nfs/dbraw/zinc/46/33/86/943463386.db2.gz WNDZUHSOFCWQQE-JLTOFOAXSA-N 2 2 360.885 3.646 20 0 FHADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423282420 943463437 /nfs/dbraw/zinc/46/34/37/943463437.db2.gz WNDZUHSOFCWQQE-VLIAUNLRSA-N 2 2 360.885 3.646 20 0 FHADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000423266943 943466703 /nfs/dbraw/zinc/46/67/03/943466703.db2.gz DLECOICOPJUFKT-XOBRGWDASA-N 2 2 362.901 3.892 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000423322744 943475372 /nfs/dbraw/zinc/47/53/72/943475372.db2.gz GTAIHFQSQVJEAI-YSSFQJQWSA-N 2 2 370.493 3.509 20 0 FHADLP FC(F)Oc1ccc([C@@H]([NH2+]CC2C[NH2+]C2)c2ccc(Cl)cc2)cc1 ZINC000423302580 943476506 /nfs/dbraw/zinc/47/65/06/943476506.db2.gz JXWQYAOAXBKHPY-KRWDZBQOSA-N 2 2 352.812 3.840 20 0 FHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423372224 943485769 /nfs/dbraw/zinc/48/57/69/943485769.db2.gz AXOSLQZTAMZNGK-RTWAWAEBSA-N 2 2 353.510 3.742 20 0 FHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423358589 943489711 /nfs/dbraw/zinc/48/97/11/943489711.db2.gz BWDFSPQGDHCIQY-UWVGGRQHSA-N 2 2 354.317 3.879 20 0 FHADLP C[C@H](CCCc1cccnc1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369836 943493499 /nfs/dbraw/zinc/49/34/99/943493499.db2.gz OXLNQQPFUQCIGU-YWMUFLPLSA-N 2 2 359.464 3.806 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423397189 943501723 /nfs/dbraw/zinc/50/17/23/943501723.db2.gz ULKZQTMYAHIWJB-VQIMIIECSA-N 2 2 360.546 3.989 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2csc(-c3csc(C)n3)c2)CCC[NH2+]1 ZINC000423426111 943506982 /nfs/dbraw/zinc/50/69/82/943506982.db2.gz MRQPEIZAJWWHFN-SJKOYZFVSA-N 2 2 351.541 3.599 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322631 943514557 /nfs/dbraw/zinc/51/45/57/943514557.db2.gz WELVATJQXXMXGS-XOYOTBSWSA-N 2 2 356.539 3.888 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423499301 943529438 /nfs/dbraw/zinc/52/94/38/943529438.db2.gz JJMSOIFURDWXCQ-VXKWHMMOSA-N 2 2 363.509 3.570 20 0 FHADLP COCC[N@H+](C)CC[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000504169501 943534475 /nfs/dbraw/zinc/53/44/75/943534475.db2.gz PJSNWVFQQMXDKS-JOCHJYFZSA-N 2 2 366.505 3.762 20 0 FHADLP COCC[N@@H+](C)CC[C@@H]([NH2+]CC1=Cc2ccccc2OC1)c1ccccc1 ZINC000504169501 943534479 /nfs/dbraw/zinc/53/44/79/943534479.db2.gz PJSNWVFQQMXDKS-JOCHJYFZSA-N 2 2 366.505 3.762 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423517121 943543189 /nfs/dbraw/zinc/54/31/89/943543189.db2.gz YOPSPQZKUZHEQH-YCRPNKLZSA-N 2 2 366.509 3.884 20 0 FHADLP c1coc(-c2noc(C[N@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000435685195 943546085 /nfs/dbraw/zinc/54/60/85/943546085.db2.gz XMYRJXZPUBIWOR-INIZCTEOSA-N 2 2 370.478 3.535 20 0 FHADLP c1coc(-c2noc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000435685195 943546090 /nfs/dbraw/zinc/54/60/90/943546090.db2.gz XMYRJXZPUBIWOR-INIZCTEOSA-N 2 2 370.478 3.535 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423813820 943625324 /nfs/dbraw/zinc/62/53/24/943625324.db2.gz FIGQMHNYCYDTBR-QFBILLFUSA-N 2 2 371.550 3.680 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934307 943732427 /nfs/dbraw/zinc/73/24/27/943732427.db2.gz AALHMBAYXAJTMU-XPGWFJOJSA-N 2 2 355.457 3.565 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934307 943732430 /nfs/dbraw/zinc/73/24/30/943732430.db2.gz AALHMBAYXAJTMU-XPGWFJOJSA-N 2 2 355.457 3.565 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934443 943739750 /nfs/dbraw/zinc/73/97/50/943739750.db2.gz FXGHLINATLWXBC-JRGCBEDISA-N 2 2 351.494 3.734 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647934443 943739753 /nfs/dbraw/zinc/73/97/53/943739753.db2.gz FXGHLINATLWXBC-JRGCBEDISA-N 2 2 351.494 3.734 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000424339826 943872192 /nfs/dbraw/zinc/87/21/92/943872192.db2.gz WRCOSQYUUDPQDT-KBAYOESNSA-N 2 2 353.466 3.665 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877232 943991466 /nfs/dbraw/zinc/99/14/66/943991466.db2.gz FSEXXRCQTQBHRO-OALUTQOASA-N 2 2 372.534 3.661 20 0 FHADLP Clc1cccc(N2CCCC2)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414878492 944014288 /nfs/dbraw/zinc/01/42/88/944014288.db2.gz NVQVMXGKSNATCC-UHFFFAOYSA-N 2 2 358.917 3.605 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000468743961 944053428 /nfs/dbraw/zinc/05/34/28/944053428.db2.gz OUSOFNLKNFWRLF-WMZOPIPTSA-N 2 2 357.523 3.568 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)C1 ZINC000437781704 944094425 /nfs/dbraw/zinc/09/44/25/944094425.db2.gz FKCCSWMOLORHMY-IIAWOOMASA-N 2 2 356.436 3.755 20 0 FHADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515710733 944137941 /nfs/dbraw/zinc/13/79/41/944137941.db2.gz ZFOABIIXDADLFY-WIYYLYMNSA-N 2 2 361.493 3.649 20 0 FHADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515710733 944137942 /nfs/dbraw/zinc/13/79/42/944137942.db2.gz ZFOABIIXDADLFY-WIYYLYMNSA-N 2 2 361.493 3.649 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3ccncc3)c2)cc1 ZINC000414882676 944234791 /nfs/dbraw/zinc/23/47/91/944234791.db2.gz MJZUAWQQBKRCMV-BJKOFHAPSA-N 2 2 373.500 3.993 20 0 FHADLP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000519556828 944252886 /nfs/dbraw/zinc/25/28/86/944252886.db2.gz GXUOFUVBSOJZGO-UHFFFAOYSA-N 2 2 368.525 3.658 20 0 FHADLP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439024557 944263224 /nfs/dbraw/zinc/26/32/24/944263224.db2.gz UHUQKIJDTXVFEG-INIZCTEOSA-N 2 2 369.513 3.738 20 0 FHADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439024557 944263230 /nfs/dbraw/zinc/26/32/30/944263230.db2.gz UHUQKIJDTXVFEG-INIZCTEOSA-N 2 2 369.513 3.738 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000414884390 944287778 /nfs/dbraw/zinc/28/77/78/944287778.db2.gz NYTIASREKGNLPN-BJKOFHAPSA-N 2 2 373.500 3.993 20 0 FHADLP c1cn(-c2ccc(C[NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)cc2)c[nH+]1 ZINC000121165195 944329778 /nfs/dbraw/zinc/32/97/78/944329778.db2.gz BQHCHKBZEDDIGU-QFIPXVFZSA-N 2 2 361.445 3.884 20 0 FHADLP Brc1cccc2c(C[NH2+]CCCCn3cc[nH+]c3)ccnc12 ZINC000517500891 944346676 /nfs/dbraw/zinc/34/66/76/944346676.db2.gz GVYHIYUDSWFYQY-UHFFFAOYSA-N 2 2 359.271 3.764 20 0 FHADLP COc1cc2c(c(C[NH2+]CCC[N@H+](C)Cc3ccccc3)c1)O[C@H](C)C2 ZINC000517541130 944371313 /nfs/dbraw/zinc/37/13/13/944371313.db2.gz SZOYYBWLEWCGKA-QGZVFWFLSA-N 2 2 354.494 3.630 20 0 FHADLP COc1cc2c(c(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)c1)O[C@H](C)C2 ZINC000517541130 944371320 /nfs/dbraw/zinc/37/13/20/944371320.db2.gz SZOYYBWLEWCGKA-QGZVFWFLSA-N 2 2 354.494 3.630 20 0 FHADLP CCc1nnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837879 944390961 /nfs/dbraw/zinc/39/09/61/944390961.db2.gz LXUTZWTWQAEFCD-OAQYLSRUSA-N 2 2 368.525 3.755 20 0 FHADLP CCc1nnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000664837879 944390970 /nfs/dbraw/zinc/39/09/70/944390970.db2.gz LXUTZWTWQAEFCD-OAQYLSRUSA-N 2 2 368.525 3.755 20 0 FHADLP Cc1[nH+]cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000506500022 944391432 /nfs/dbraw/zinc/39/14/32/944391432.db2.gz PXQCXIFJNANSDJ-QFIPXVFZSA-N 2 2 360.505 3.887 20 0 FHADLP Cc1[nH+]cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000506500022 944391440 /nfs/dbraw/zinc/39/14/40/944391440.db2.gz PXQCXIFJNANSDJ-QFIPXVFZSA-N 2 2 360.505 3.887 20 0 FHADLP Cc1cc(N2CCC([N@@H+](C)Cc3ccn(C(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000364387994 944528753 /nfs/dbraw/zinc/52/87/53/944528753.db2.gz PCQOIFJDKAWXNH-UHFFFAOYSA-N 2 2 370.545 3.787 20 0 FHADLP Cc1cc(N2CCC([N@H+](C)Cc3ccn(C(C)C)n3)CC2)nc(C(C)C)[nH+]1 ZINC000364387994 944528762 /nfs/dbraw/zinc/52/87/62/944528762.db2.gz PCQOIFJDKAWXNH-UHFFFAOYSA-N 2 2 370.545 3.787 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000414892635 944736875 /nfs/dbraw/zinc/73/68/75/944736875.db2.gz XCLXIAHCJLLFHW-OALUTQOASA-N 2 2 362.420 3.532 20 0 FHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390713281 944768210 /nfs/dbraw/zinc/76/82/10/944768210.db2.gz XKHWKRAPDHLAJT-RBBKRZOGSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390713281 944768214 /nfs/dbraw/zinc/76/82/14/944768214.db2.gz XKHWKRAPDHLAJT-RBBKRZOGSA-N 2 2 354.469 3.694 20 0 FHADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000414947358 944990360 /nfs/dbraw/zinc/99/03/60/944990360.db2.gz UYTBLGFYTOKFJK-HNNXBMFYSA-N 2 2 354.885 3.689 20 0 FHADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414949301 945007828 /nfs/dbraw/zinc/00/78/28/945007828.db2.gz ZTHIKZXUFCGEMS-IAQYHMDHSA-N 2 2 366.328 3.660 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCN(C)C)CC1CCCCC1 ZINC000516602890 945046372 /nfs/dbraw/zinc/04/63/72/945046372.db2.gz DCPUSTCCVKAGGG-UHFFFAOYSA-N 2 2 355.530 3.520 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCN(C)C)CC1CCCCC1 ZINC000516602890 945046382 /nfs/dbraw/zinc/04/63/82/945046382.db2.gz DCPUSTCCVKAGGG-UHFFFAOYSA-N 2 2 355.530 3.520 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000516603060 945046673 /nfs/dbraw/zinc/04/66/73/945046673.db2.gz LSWAKFTYYHFDOL-GFCCVEGCSA-N 2 2 354.679 3.826 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000516603060 945046681 /nfs/dbraw/zinc/04/66/81/945046681.db2.gz LSWAKFTYYHFDOL-GFCCVEGCSA-N 2 2 354.679 3.826 20 0 FHADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2OCc2cccnc2)CC1 ZINC000506370917 945046743 /nfs/dbraw/zinc/04/67/43/945046743.db2.gz QWCKWTGPSABZLM-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2OCc2cccnc2)CC1 ZINC000506370917 945046752 /nfs/dbraw/zinc/04/67/52/945046752.db2.gz QWCKWTGPSABZLM-UHFFFAOYSA-N 2 2 353.510 3.965 20 0 FHADLP CCOc1ccccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678818 945379364 /nfs/dbraw/zinc/37/93/64/945379364.db2.gz KFBYEXRHJGNXCP-UHFFFAOYSA-N 2 2 354.494 3.718 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388755712 945543111 /nfs/dbraw/zinc/54/31/11/945543111.db2.gz NBKOMOYCAHPYBB-ICSRJNTNSA-N 2 2 352.526 3.998 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388755712 945543117 /nfs/dbraw/zinc/54/31/17/945543117.db2.gz NBKOMOYCAHPYBB-ICSRJNTNSA-N 2 2 352.526 3.998 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478884 945578362 /nfs/dbraw/zinc/57/83/62/945578362.db2.gz KWXPRBJXXIWRSW-PBHICJAKSA-N 2 2 358.507 3.652 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478884 945578371 /nfs/dbraw/zinc/57/83/71/945578371.db2.gz KWXPRBJXXIWRSW-PBHICJAKSA-N 2 2 358.507 3.652 20 0 FHADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)s1)C2 ZINC000443983150 945679885 /nfs/dbraw/zinc/67/98/85/945679885.db2.gz RAUWXQJQGZAPBG-SNVBAGLBSA-N 2 2 358.433 3.761 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651695568 945697849 /nfs/dbraw/zinc/69/78/49/945697849.db2.gz OTCNTMQACJFJMA-GOSISDBHSA-N 2 2 353.510 3.900 20 0 FHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1sccc1Br ZINC000519762565 945741692 /nfs/dbraw/zinc/74/16/92/945741692.db2.gz JDDLOIHRIFZUNQ-GFCCVEGCSA-N 2 2 354.317 3.736 20 0 FHADLP COc1cccc(-c2csc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)c1 ZINC000894482623 945741755 /nfs/dbraw/zinc/74/17/55/945741755.db2.gz CWINANSDXCCITM-OAHLLOKOSA-N 2 2 354.479 3.542 20 0 FHADLP COc1cccc(-c2csc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)n2)c1 ZINC000894482623 945741758 /nfs/dbraw/zinc/74/17/58/945741758.db2.gz CWINANSDXCCITM-OAHLLOKOSA-N 2 2 354.479 3.542 20 0 FHADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@@H]21 ZINC000301735041 945939440 /nfs/dbraw/zinc/93/94/40/945939440.db2.gz ZNMKVEKBOGKRCS-BBRMVZONSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@@H]21 ZINC000301735041 945939454 /nfs/dbraw/zinc/93/94/54/945939454.db2.gz ZNMKVEKBOGKRCS-BBRMVZONSA-N 2 2 360.299 3.918 20 0 FHADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c(Cl)c1 ZINC001167973834 945976080 /nfs/dbraw/zinc/97/60/80/945976080.db2.gz ORBIPYRLKNSVAU-AYHJJNSGSA-N 2 2 362.901 3.622 20 0 FHADLP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(Cl)c1 ZINC001167973834 945976085 /nfs/dbraw/zinc/97/60/85/945976085.db2.gz ORBIPYRLKNSVAU-AYHJJNSGSA-N 2 2 362.901 3.622 20 0 FHADLP c1csc(C[N@H+]2CCC[C@@H](CNc3cc(NCC4CC4)[nH+]cn3)C2)c1 ZINC000301810980 945979198 /nfs/dbraw/zinc/97/91/98/945979198.db2.gz DOYWCZDLEBJCPV-INIZCTEOSA-N 2 2 357.527 3.684 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@@H](CNc3cc(NCC4CC4)[nH+]cn3)C2)c1 ZINC000301810980 945979207 /nfs/dbraw/zinc/97/92/07/945979207.db2.gz DOYWCZDLEBJCPV-INIZCTEOSA-N 2 2 357.527 3.684 20 0 FHADLP Nc1nc(NCC2CC[NH+](Cc3cccs3)CC2)[nH+]c2ccccc12 ZINC000301879163 946018051 /nfs/dbraw/zinc/01/80/51/946018051.db2.gz LJEMULLSSMUTGG-UHFFFAOYSA-N 2 2 353.495 3.598 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301888645 946021629 /nfs/dbraw/zinc/02/16/29/946021629.db2.gz PYVIVKCSCWTMAN-UHFFFAOYSA-N 2 2 361.493 3.560 20 0 FHADLP C[N@H+](Cc1ccccc1)CC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301888645 946021645 /nfs/dbraw/zinc/02/16/45/946021645.db2.gz PYVIVKCSCWTMAN-UHFFFAOYSA-N 2 2 361.493 3.560 20 0 FHADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301907144 946032307 /nfs/dbraw/zinc/03/23/07/946032307.db2.gz ZPUOGXZQYVIZID-HOTGVXAUSA-N 2 2 358.534 3.751 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2nc(N)c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301914580 946035532 /nfs/dbraw/zinc/03/55/32/946035532.db2.gz UXORBTFLOOWPGS-GUYCJALGSA-N 2 2 353.495 3.769 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2nc(N)c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301914580 946035545 /nfs/dbraw/zinc/03/55/45/946035545.db2.gz UXORBTFLOOWPGS-GUYCJALGSA-N 2 2 353.495 3.769 20 0 FHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075575 946108730 /nfs/dbraw/zinc/10/87/30/946108730.db2.gz VYSLNLMVFCYPDV-OALUTQOASA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075575 946108731 /nfs/dbraw/zinc/10/87/31/946108731.db2.gz VYSLNLMVFCYPDV-OALUTQOASA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661454524 946131908 /nfs/dbraw/zinc/13/19/08/946131908.db2.gz JGYUYKKUWXZBEB-SPEDKVCISA-N 2 2 368.521 3.932 20 0 FHADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661454524 946131918 /nfs/dbraw/zinc/13/19/18/946131918.db2.gz JGYUYKKUWXZBEB-SPEDKVCISA-N 2 2 368.521 3.932 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1sccc1Br ZINC000579190963 946239344 /nfs/dbraw/zinc/23/93/44/946239344.db2.gz VXMDVZDSXMVVKL-STQMWFEESA-N 2 2 361.349 3.662 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1sccc1Br ZINC000579190963 946239356 /nfs/dbraw/zinc/23/93/56/946239356.db2.gz VXMDVZDSXMVVKL-STQMWFEESA-N 2 2 361.349 3.662 20 0 FHADLP Cc1nc([C@H](C)[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)no1 ZINC000639725268 946264946 /nfs/dbraw/zinc/26/49/46/946264946.db2.gz KATYWWMOMGFPCR-KRWDZBQOSA-N 2 2 354.498 3.817 20 0 FHADLP CC[N@@H+](Cc1ncc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473133830 946437164 /nfs/dbraw/zinc/43/71/64/946437164.db2.gz UKMGFLCIPDCYQM-UHFFFAOYSA-N 2 2 350.919 3.930 20 0 FHADLP CC[N@H+](Cc1ncc(Cl)s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000473133830 946437174 /nfs/dbraw/zinc/43/71/74/946437174.db2.gz UKMGFLCIPDCYQM-UHFFFAOYSA-N 2 2 350.919 3.930 20 0 FHADLP CCCCCNC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441363842 946511696 /nfs/dbraw/zinc/51/16/96/946511696.db2.gz KNBUAMPQOFAAJM-UYAOXDASSA-N 2 2 356.514 3.526 20 0 FHADLP CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441372509 946523406 /nfs/dbraw/zinc/52/34/06/946523406.db2.gz POIOYEBWAFQOJO-XLIONFOSSA-N 2 2 356.514 3.524 20 0 FHADLP c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000475224248 946746882 /nfs/dbraw/zinc/74/68/82/946746882.db2.gz MVIOSAYKRRMDNB-JOCHJYFZSA-N 2 2 360.505 3.543 20 0 FHADLP c1cn(Cc2ccccc2)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475224248 946746888 /nfs/dbraw/zinc/74/68/88/946746888.db2.gz MVIOSAYKRRMDNB-JOCHJYFZSA-N 2 2 360.505 3.543 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168074963 946768607 /nfs/dbraw/zinc/76/86/07/946768607.db2.gz MABMDSQQBQXJCF-RDTXWAMCSA-N 2 2 356.432 3.827 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353976 946901666 /nfs/dbraw/zinc/90/16/66/946901666.db2.gz IRJZEUUQBMRONF-DOMZBBRYSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353976 946901672 /nfs/dbraw/zinc/90/16/72/946901672.db2.gz IRJZEUUQBMRONF-DOMZBBRYSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCO1 ZINC001168080403 946911386 /nfs/dbraw/zinc/91/13/86/946911386.db2.gz UYQPKJJBDHXJDI-XMSQKQJNSA-N 2 2 350.506 3.865 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)CC1 ZINC000475333108 946916343 /nfs/dbraw/zinc/91/63/43/946916343.db2.gz SAXMNMZXYAAJEI-HVFKPGDCSA-N 2 2 374.491 3.977 20 0 FHADLP CC(C)n1ccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000475350549 946922091 /nfs/dbraw/zinc/92/20/91/946922091.db2.gz PVRVDVYIOCUWLX-RWBZWWBESA-N 2 2 372.479 3.790 20 0 FHADLP COC(=O)C[N@H+](C1CCCC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061628 946924765 /nfs/dbraw/zinc/92/47/65/946924765.db2.gz IVTLVUFTEKCUQM-ROUUACIJSA-N 2 2 358.526 3.846 20 0 FHADLP COC(=O)C[N@@H+](C1CCCC1)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061628 946924770 /nfs/dbraw/zinc/92/47/70/946924770.db2.gz IVTLVUFTEKCUQM-ROUUACIJSA-N 2 2 358.526 3.846 20 0 FHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444531955 946978677 /nfs/dbraw/zinc/97/86/77/946978677.db2.gz DBMNLGLJSYGZQH-OAHLLOKOSA-N 2 2 354.498 3.992 20 0 FHADLP CCc1ccccc1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444652219 947072786 /nfs/dbraw/zinc/07/27/86/947072786.db2.gz IQTOKAXPDPYHGQ-UHFFFAOYSA-N 2 2 351.538 3.825 20 0 FHADLP CCc1ccccc1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444652219 947072797 /nfs/dbraw/zinc/07/27/97/947072797.db2.gz IQTOKAXPDPYHGQ-UHFFFAOYSA-N 2 2 351.538 3.825 20 0 FHADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684664 947219908 /nfs/dbraw/zinc/21/99/08/947219908.db2.gz AECKJHNNBGVXOK-TZIWHRDSSA-N 2 2 351.494 3.577 20 0 FHADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684664 947219914 /nfs/dbraw/zinc/21/99/14/947219914.db2.gz AECKJHNNBGVXOK-TZIWHRDSSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684664 947219920 /nfs/dbraw/zinc/21/99/20/947219920.db2.gz AECKJHNNBGVXOK-TZIWHRDSSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684664 947219924 /nfs/dbraw/zinc/21/99/24/947219924.db2.gz AECKJHNNBGVXOK-TZIWHRDSSA-N 2 2 351.494 3.577 20 0 FHADLP Clc1ccc2[nH+]ccc(NC[C@]3([NH+]4CCOCC4)CCSC3)c2c1 ZINC000301299008 947272536 /nfs/dbraw/zinc/27/25/36/947272536.db2.gz UCOGEZPOEPZBTH-GOSISDBHSA-N 2 2 363.914 3.508 20 0 FHADLP CCc1cc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nc(C)[nH+]1 ZINC000301333526 947290830 /nfs/dbraw/zinc/29/08/30/947290830.db2.gz FJTPPNIXYLNUNE-HZPDHXFCSA-N 2 2 354.498 3.569 20 0 FHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000475622823 947523215 /nfs/dbraw/zinc/52/32/15/947523215.db2.gz GWTGFGDIAQEWIQ-UHFFFAOYSA-N 2 2 372.519 3.597 20 0 FHADLP COc1ccccc1-c1ccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC000662257622 947676876 /nfs/dbraw/zinc/67/68/76/947676876.db2.gz UEFNLYGAVOIAAN-FQEVSTJZSA-N 2 2 354.494 3.561 20 0 FHADLP COc1ccccc1-c1ccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC000662257622 947676882 /nfs/dbraw/zinc/67/68/82/947676882.db2.gz UEFNLYGAVOIAAN-FQEVSTJZSA-N 2 2 354.494 3.561 20 0 FHADLP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294712 947718202 /nfs/dbraw/zinc/71/82/02/947718202.db2.gz LRNIVXFYJSXYJH-AWEZNQCLSA-N 2 2 370.324 3.644 20 0 FHADLP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294712 947718214 /nfs/dbraw/zinc/71/82/14/947718214.db2.gz LRNIVXFYJSXYJH-AWEZNQCLSA-N 2 2 370.324 3.644 20 0 FHADLP Fc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1Br ZINC000663344099 947806990 /nfs/dbraw/zinc/80/69/90/947806990.db2.gz OCNNEDAYAPAOFU-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1Br ZINC000663344099 947807005 /nfs/dbraw/zinc/80/70/05/947807005.db2.gz OCNNEDAYAPAOFU-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000663344520 947811796 /nfs/dbraw/zinc/81/17/96/947811796.db2.gz VCEZPYQRTNVVDM-OAHLLOKOSA-N 2 2 367.331 3.669 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000663344520 947811803 /nfs/dbraw/zinc/81/18/03/947811803.db2.gz VCEZPYQRTNVVDM-OAHLLOKOSA-N 2 2 367.331 3.669 20 0 FHADLP OC1CC[NH+](CCCNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000663402891 947965100 /nfs/dbraw/zinc/96/51/00/947965100.db2.gz NARSXPUUBGZYEG-UHFFFAOYSA-N 2 2 353.388 3.512 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465085 948046901 /nfs/dbraw/zinc/04/69/01/948046901.db2.gz HZBXJTUSNGUULI-HKUYNNGSSA-N 2 2 352.526 3.860 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465085 948046908 /nfs/dbraw/zinc/04/69/08/948046908.db2.gz HZBXJTUSNGUULI-HKUYNNGSSA-N 2 2 352.526 3.860 20 0 FHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459075992 948047562 /nfs/dbraw/zinc/04/75/62/948047562.db2.gz MEMVLWSYBHQJGI-UHFFFAOYSA-N 2 2 374.451 3.504 20 0 FHADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466239 948050236 /nfs/dbraw/zinc/05/02/36/948050236.db2.gz PWLJWZWBBNWHQE-MAUKXSAKSA-N 2 2 354.897 3.878 20 0 FHADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466239 948050246 /nfs/dbraw/zinc/05/02/46/948050246.db2.gz PWLJWZWBBNWHQE-MAUKXSAKSA-N 2 2 354.897 3.878 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117681 /nfs/dbraw/zinc/11/76/81/948117681.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117686 /nfs/dbraw/zinc/11/76/86/948117686.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825127 948117692 /nfs/dbraw/zinc/11/76/92/948117692.db2.gz REEUMSFYJNSTEP-OALUTQOASA-N 3 2 363.594 3.610 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925795762 948234506 /nfs/dbraw/zinc/23/45/06/948234506.db2.gz KOOVWVCMPXMDRF-CRAIPNDOSA-N 2 2 371.550 3.928 20 0 FHADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2cccnc2)ccc1F ZINC000432408326 948352241 /nfs/dbraw/zinc/35/22/41/948352241.db2.gz BAALPQJKRWIBMQ-XMSQKQJNSA-N 2 2 371.500 3.709 20 0 FHADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2cccnc2)ccc1F ZINC000432408326 948352250 /nfs/dbraw/zinc/35/22/50/948352250.db2.gz BAALPQJKRWIBMQ-XMSQKQJNSA-N 2 2 371.500 3.709 20 0 FHADLP COc1ccc2oc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)c(C)c2c1 ZINC000432411969 948359629 /nfs/dbraw/zinc/35/96/29/948359629.db2.gz DAMYXXZVIPXJSQ-DOTOQJQBSA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc2oc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)c(C)c2c1 ZINC000432411969 948359638 /nfs/dbraw/zinc/35/96/38/948359638.db2.gz DAMYXXZVIPXJSQ-DOTOQJQBSA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc2oc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)c(C)c2c1 ZINC000432411972 948359944 /nfs/dbraw/zinc/35/99/44/948359944.db2.gz DAMYXXZVIPXJSQ-WBVHZDCISA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc2oc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)c(C)c2c1 ZINC000432411972 948359949 /nfs/dbraw/zinc/35/99/49/948359949.db2.gz DAMYXXZVIPXJSQ-WBVHZDCISA-N 2 2 360.498 3.901 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC000512085601 948386408 /nfs/dbraw/zinc/38/64/08/948386408.db2.gz WYYDYQGVCADUON-UHFFFAOYSA-N 2 2 355.320 3.668 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000512099243 948420973 /nfs/dbraw/zinc/42/09/73/948420973.db2.gz LGVYZAZAHDKFOK-INIZCTEOSA-N 2 2 360.523 3.767 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000512099243 948420975 /nfs/dbraw/zinc/42/09/75/948420975.db2.gz LGVYZAZAHDKFOK-INIZCTEOSA-N 2 2 360.523 3.767 20 0 FHADLP CC(C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000466894271 948493393 /nfs/dbraw/zinc/49/33/93/948493393.db2.gz PTJSBQOMSUYAPN-UHFFFAOYSA-N 2 2 365.949 3.561 20 0 FHADLP CC(C)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000466894271 948493397 /nfs/dbraw/zinc/49/33/97/948493397.db2.gz PTJSBQOMSUYAPN-UHFFFAOYSA-N 2 2 365.949 3.561 20 0 FHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000167852907 948505852 /nfs/dbraw/zinc/50/58/52/948505852.db2.gz UMZFQKZONBHHMD-OAHLLOKOSA-N 2 2 357.464 3.732 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(Br)s2)CC1 ZINC000512142743 948540013 /nfs/dbraw/zinc/54/00/13/948540013.db2.gz BCOCCMABDBMWKT-LBPRGKRZSA-N 2 2 361.349 3.580 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)[C@@H]1c1cccnc1 ZINC000328648016 529793804 /nfs/dbraw/zinc/79/38/04/529793804.db2.gz UGHUEHZGDVBFOY-BBRMVZONSA-N 2 2 366.328 3.688 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)[C@@H]1c1cccnc1 ZINC000328648016 529793805 /nfs/dbraw/zinc/79/38/05/529793805.db2.gz UGHUEHZGDVBFOY-BBRMVZONSA-N 2 2 366.328 3.688 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc(OC)c1OC ZINC000359878474 210193957 /nfs/dbraw/zinc/19/39/57/210193957.db2.gz RHVIBBQIUOVELT-KRWDZBQOSA-N 2 2 373.497 3.697 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)cc(OC)c1OC ZINC000359878474 210193961 /nfs/dbraw/zinc/19/39/61/210193961.db2.gz RHVIBBQIUOVELT-KRWDZBQOSA-N 2 2 373.497 3.697 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000359880074 210194062 /nfs/dbraw/zinc/19/40/62/210194062.db2.gz SDZOTGYTTYWOEB-LJQANCHMSA-N 2 2 353.514 3.666 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000359880074 210194063 /nfs/dbraw/zinc/19/40/63/210194063.db2.gz SDZOTGYTTYWOEB-LJQANCHMSA-N 2 2 353.514 3.666 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623917 210115188 /nfs/dbraw/zinc/11/51/88/210115188.db2.gz CDFGBYJCFCSUDM-TWOQFEAHSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623917 210115193 /nfs/dbraw/zinc/11/51/93/210115193.db2.gz CDFGBYJCFCSUDM-TWOQFEAHSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623917 210115196 /nfs/dbraw/zinc/11/51/96/210115196.db2.gz CDFGBYJCFCSUDM-TWOQFEAHSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623917 210115201 /nfs/dbraw/zinc/11/52/01/210115201.db2.gz CDFGBYJCFCSUDM-TWOQFEAHSA-N 2 2 367.497 3.637 20 0 FHADLP CC[N@H+](CCNc1cc(C)[nH+]c(-c2cccnc2)n1)CCC(F)(F)F ZINC000491871901 515479432 /nfs/dbraw/zinc/47/94/32/515479432.db2.gz OTWWNCYWHJCJHS-UHFFFAOYSA-N 2 2 353.392 3.533 20 0 FHADLP CC[N@@H+](CCNc1cc(C)[nH+]c(-c2cccnc2)n1)CCC(F)(F)F ZINC000491871901 515479441 /nfs/dbraw/zinc/47/94/41/515479441.db2.gz OTWWNCYWHJCJHS-UHFFFAOYSA-N 2 2 353.392 3.533 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)n1 ZINC000601931261 567879051 /nfs/dbraw/zinc/87/90/51/567879051.db2.gz JSYRRHBSZRYDLP-MRXNPFEDSA-N 2 2 371.481 3.544 20 0 FHADLP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000521420964 567985092 /nfs/dbraw/zinc/98/50/92/567985092.db2.gz BEGHNKYHFXKTQL-UHFFFAOYSA-N 2 2 361.449 3.635 20 0 FHADLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ncc(Br)cc1F ZINC000186947395 568021485 /nfs/dbraw/zinc/02/14/85/568021485.db2.gz IEKQJHMJQGUKJK-CYBMUJFWSA-N 2 2 358.299 3.756 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313945 568248979 /nfs/dbraw/zinc/24/89/79/568248979.db2.gz IWMRKTVXEZMMJA-ZWKOTPCHSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313945 568248980 /nfs/dbraw/zinc/24/89/80/568248980.db2.gz IWMRKTVXEZMMJA-ZWKOTPCHSA-N 2 2 351.450 3.539 20 0 FHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604331335 568250979 /nfs/dbraw/zinc/25/09/79/568250979.db2.gz FYMZOYQVFZJKAE-FPOVZHCZSA-N 2 2 363.590 3.514 20 0 FHADLP CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604331335 568250980 /nfs/dbraw/zinc/25/09/80/568250980.db2.gz FYMZOYQVFZJKAE-FPOVZHCZSA-N 2 2 363.590 3.514 20 0 FHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390887621 568461183 /nfs/dbraw/zinc/46/11/83/568461183.db2.gz WZWCALJAOIYYCP-RXVVDRJESA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390887621 568461184 /nfs/dbraw/zinc/46/11/84/568461184.db2.gz WZWCALJAOIYYCP-RXVVDRJESA-N 2 2 356.485 3.637 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164673183 719508170 /nfs/dbraw/zinc/50/81/70/719508170.db2.gz PHSAMXUUPKQBSU-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c(C)c1 ZINC001164673183 719508174 /nfs/dbraw/zinc/50/81/74/719508174.db2.gz PHSAMXUUPKQBSU-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(C4CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836812 720558179 /nfs/dbraw/zinc/55/81/79/720558179.db2.gz LFOUSPYWMAKYCK-QHAWAJNXSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C4CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836812 720558184 /nfs/dbraw/zinc/55/81/84/720558184.db2.gz LFOUSPYWMAKYCK-QHAWAJNXSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001164862963 721009242 /nfs/dbraw/zinc/00/92/42/721009242.db2.gz SAJIUILQHDOEMX-MRXNPFEDSA-N 2 2 370.545 3.700 20 0 FHADLP Cc1cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc(C(C)(C)C)[nH+]1 ZINC001164862963 721009248 /nfs/dbraw/zinc/00/92/48/721009248.db2.gz SAJIUILQHDOEMX-MRXNPFEDSA-N 2 2 370.545 3.700 20 0 FHADLP CC[C@@H](C)[N@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000162246087 936363166 /nfs/dbraw/zinc/36/31/66/936363166.db2.gz RLNQNDYXIIALND-CQSZACIVSA-N 2 2 368.403 3.641 20 0 FHADLP CC[C@@H](C)[N@@H+](CCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000162246087 936363170 /nfs/dbraw/zinc/36/31/70/936363170.db2.gz RLNQNDYXIIALND-CQSZACIVSA-N 2 2 368.403 3.641 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000153663290 936367400 /nfs/dbraw/zinc/36/74/00/936367400.db2.gz GOIWIBBNHKHTMP-HWRSSNJWSA-N 2 2 357.454 3.600 20 0 FHADLP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167965469 945063987 /nfs/dbraw/zinc/06/39/87/945063987.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 2 365.565 3.502 20 0 FHADLP c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167965469 945063997 /nfs/dbraw/zinc/06/39/97/945063997.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 2 365.565 3.502 20 0 FHADLP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167965469 945064007 /nfs/dbraw/zinc/06/40/07/945064007.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 2 365.565 3.502 20 0 FHADLP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)cc1 ZINC001167965469 945064020 /nfs/dbraw/zinc/06/40/20/945064020.db2.gz GYXCKAJZMVVSTG-QQWUKRRHSA-N 3 2 365.565 3.502 20 0 FHADLP CCC(CC)(CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1ccccc1 ZINC000654785222 927305934 /nfs/dbraw/zinc/30/59/34/927305934.db2.gz DTQQNSMTWXQPRR-IAGOWNOFSA-N 2 2 356.514 3.614 20 0 FHADLP CCC(CC)(CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+][C@H](C)c1ccccc1 ZINC000654785222 927305970 /nfs/dbraw/zinc/30/59/70/927305970.db2.gz DTQQNSMTWXQPRR-IAGOWNOFSA-N 2 2 356.514 3.614 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[N@@H+]1C ZINC000123779279 937180232 /nfs/dbraw/zinc/18/02/32/937180232.db2.gz NURXLXJISHBREV-LAUBAEHRSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[N@H+]1C ZINC000123779279 937180234 /nfs/dbraw/zinc/18/02/34/937180234.db2.gz NURXLXJISHBREV-LAUBAEHRSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[NH+]1C ZINC000123779279 937180237 /nfs/dbraw/zinc/18/02/37/937180237.db2.gz NURXLXJISHBREV-LAUBAEHRSA-N 2 2 351.494 3.853 20 0 FHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3)c2)CC[NH+]1C ZINC000123779279 937180239 /nfs/dbraw/zinc/18/02/39/937180239.db2.gz NURXLXJISHBREV-LAUBAEHRSA-N 2 2 351.494 3.853 20 0 FHADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C2 ZINC000683160311 927602641 /nfs/dbraw/zinc/60/26/41/927602641.db2.gz LIMDGDVZKNTYPX-CTNGQTDRSA-N 2 2 361.489 3.860 20 0 FHADLP COc1cccc2c1CC[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)C2 ZINC000683160314 927603094 /nfs/dbraw/zinc/60/30/94/927603094.db2.gz LIMDGDVZKNTYPX-TZIWHRDSSA-N 2 2 361.489 3.860 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206769267 927793824 /nfs/dbraw/zinc/79/38/24/927793824.db2.gz NZQSFSLXWFIRIV-DZGCQCFKSA-N 2 2 355.320 3.796 20 0 FHADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)cc1Br ZINC001206769267 927793833 /nfs/dbraw/zinc/79/38/33/927793833.db2.gz NZQSFSLXWFIRIV-DZGCQCFKSA-N 2 2 355.320 3.796 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471164927 928406810 /nfs/dbraw/zinc/40/68/10/928406810.db2.gz KCLDUOHPFNBCLB-HKUYNNGSSA-N 2 2 371.525 3.635 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000471164927 928406813 /nfs/dbraw/zinc/40/68/13/928406813.db2.gz KCLDUOHPFNBCLB-HKUYNNGSSA-N 2 2 371.525 3.635 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150841380 937270248 /nfs/dbraw/zinc/27/02/48/937270248.db2.gz PPCIZKDIDGYMLM-INIZCTEOSA-N 2 2 356.466 3.527 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150841380 937270252 /nfs/dbraw/zinc/27/02/52/937270252.db2.gz PPCIZKDIDGYMLM-INIZCTEOSA-N 2 2 356.466 3.527 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000180156942 929407051 /nfs/dbraw/zinc/40/70/51/929407051.db2.gz NIZKHYYBYDEEPU-QGZVFWFLSA-N 2 2 373.463 3.813 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)[C@@H](C)C2 ZINC000180159421 929409571 /nfs/dbraw/zinc/40/95/71/929409571.db2.gz OAURHUDFWQEULX-FDDCHVKYSA-N 2 2 350.506 3.850 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)C2 ZINC000530527168 929471791 /nfs/dbraw/zinc/47/17/91/929471791.db2.gz AIFYXUBXICTXDD-XLIONFOSSA-N 2 2 374.573 3.511 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000530527168 929471800 /nfs/dbraw/zinc/47/18/00/929471800.db2.gz AIFYXUBXICTXDD-XLIONFOSSA-N 2 2 374.573 3.511 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)C2 ZINC000530527170 929471961 /nfs/dbraw/zinc/47/19/61/929471961.db2.gz AIFYXUBXICTXDD-YLJYHZDGSA-N 2 2 374.573 3.511 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000530527170 929471967 /nfs/dbraw/zinc/47/19/67/929471967.db2.gz AIFYXUBXICTXDD-YLJYHZDGSA-N 2 2 374.573 3.511 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000180402769 929495992 /nfs/dbraw/zinc/49/59/92/929495992.db2.gz RILOBMQRFIUVJL-QHCPKHFHSA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)c(Br)c1 ZINC000583314977 937342908 /nfs/dbraw/zinc/34/29/08/937342908.db2.gz CBEAESRIIITGIQ-KRWDZBQOSA-N 2 2 355.320 3.839 20 0 FHADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548792234 937344651 /nfs/dbraw/zinc/34/46/51/937344651.db2.gz LKZWQJFYIPQKKH-QGZVFWFLSA-N 2 2 362.477 3.853 20 0 FHADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548792234 937344654 /nfs/dbraw/zinc/34/46/54/937344654.db2.gz LKZWQJFYIPQKKH-QGZVFWFLSA-N 2 2 362.477 3.853 20 0 FHADLP Cc1[nH+]cc(C[NH2+][C@@H](Cc2cccc(Br)c2)CC2CC2)n1C ZINC000583333696 937353854 /nfs/dbraw/zinc/35/38/54/937353854.db2.gz ZCGWELFKCSMPKI-QGZVFWFLSA-N 2 2 362.315 3.992 20 0 FHADLP Cn1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2ccccc21 ZINC000683692274 929809722 /nfs/dbraw/zinc/80/97/22/929809722.db2.gz QOMMQTZPWWIYRT-OWZKRDHZSA-N 2 2 360.505 3.859 20 0 FHADLP Cn1nc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c2ccccc21 ZINC000683692274 929809728 /nfs/dbraw/zinc/80/97/28/929809728.db2.gz QOMMQTZPWWIYRT-OWZKRDHZSA-N 2 2 360.505 3.859 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(OC)c(OC)c1 ZINC000126371042 937381217 /nfs/dbraw/zinc/38/12/17/937381217.db2.gz LBWBOLVSFSCJQM-GOSISDBHSA-N 2 2 366.465 3.834 20 0 FHADLP CC[NH+](CC)c1ccc(C)c(N(Cc2ccccc2)C2(C[NH3+])COC2)c1 ZINC001167378554 930488553 /nfs/dbraw/zinc/48/85/53/930488553.db2.gz WFDYFXHTSDYCIL-UHFFFAOYSA-N 2 2 353.510 3.576 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000125448572 930631903 /nfs/dbraw/zinc/63/19/03/930631903.db2.gz ANIPFXYGTDZKDC-FQEVSTJZSA-N 2 2 354.494 3.658 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1OCc1ccccc1 ZINC000125448572 930631904 /nfs/dbraw/zinc/63/19/04/930631904.db2.gz ANIPFXYGTDZKDC-FQEVSTJZSA-N 2 2 354.494 3.658 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000125481465 930640537 /nfs/dbraw/zinc/64/05/37/930640537.db2.gz NNGZWCZWIYTGAZ-GOSISDBHSA-N 2 2 364.493 3.824 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)o1 ZINC000125481465 930640559 /nfs/dbraw/zinc/64/05/59/930640559.db2.gz NNGZWCZWIYTGAZ-GOSISDBHSA-N 2 2 364.493 3.824 20 0 FHADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000125510749 930646989 /nfs/dbraw/zinc/64/69/89/930646989.db2.gz JQGJYAGVKOAGIX-LJQANCHMSA-N 2 2 354.542 3.612 20 0 FHADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C1 ZINC000125510749 930646990 /nfs/dbraw/zinc/64/69/90/930646990.db2.gz JQGJYAGVKOAGIX-LJQANCHMSA-N 2 2 354.542 3.612 20 0 FHADLP CC(C)[N@@H+]1CCO[C@@H](c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)C1 ZINC000580608612 930920433 /nfs/dbraw/zinc/92/04/33/930920433.db2.gz PSJBJAPMEHNODX-LJQANCHMSA-N 2 2 370.497 3.504 20 0 FHADLP CC(C)[N@H+]1CCO[C@@H](c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)C1 ZINC000580608612 930920439 /nfs/dbraw/zinc/92/04/39/930920439.db2.gz PSJBJAPMEHNODX-LJQANCHMSA-N 2 2 370.497 3.504 20 0 FHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCCn1cc[nH+]c1 ZINC000580975085 931443009 /nfs/dbraw/zinc/44/30/09/931443009.db2.gz SFNPUDBQBCESSM-CYBMUJFWSA-N 2 2 354.267 3.786 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167442101 931462064 /nfs/dbraw/zinc/46/20/64/931462064.db2.gz BDGSBLKVXFTWIP-FCHUYYIVSA-N 2 2 374.569 3.934 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001167442101 931462071 /nfs/dbraw/zinc/46/20/71/931462071.db2.gz BDGSBLKVXFTWIP-FCHUYYIVSA-N 2 2 374.569 3.934 20 0 FHADLP Cc1cc(C)c(-c2csc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n2)cc1C ZINC000581012583 931466906 /nfs/dbraw/zinc/46/69/06/931466906.db2.gz ICYZTBHKXDZSOT-HXUWFJFHSA-N 2 2 374.554 3.637 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000581200765 931657911 /nfs/dbraw/zinc/65/79/11/931657911.db2.gz IGAMKIPOZQBBQB-SFHVURJKSA-N 2 2 366.509 3.575 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000581200765 931657914 /nfs/dbraw/zinc/65/79/14/931657914.db2.gz IGAMKIPOZQBBQB-SFHVURJKSA-N 2 2 366.509 3.575 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000430576039 931925041 /nfs/dbraw/zinc/92/50/41/931925041.db2.gz WUNSFPVDHYQOCZ-GFCCVEGCSA-N 2 2 358.313 3.642 20 0 FHADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430578336 931942230 /nfs/dbraw/zinc/94/22/30/931942230.db2.gz WPLTWUZLZDOGSI-HXUWFJFHSA-N 2 2 353.510 3.900 20 0 FHADLP Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430578336 931942236 /nfs/dbraw/zinc/94/22/36/931942236.db2.gz WPLTWUZLZDOGSI-HXUWFJFHSA-N 2 2 353.510 3.900 20 0 FHADLP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163156 931973897 /nfs/dbraw/zinc/97/38/97/931973897.db2.gz YTSGAYONLOXJHK-CUWPLCDZSA-N 2 2 357.567 3.851 20 0 FHADLP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163156 931973901 /nfs/dbraw/zinc/97/39/01/931973901.db2.gz YTSGAYONLOXJHK-CUWPLCDZSA-N 2 2 357.567 3.851 20 0 FHADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615336 932300337 /nfs/dbraw/zinc/30/03/37/932300337.db2.gz BMIKSSPALSGJLY-GHTZIAJQSA-N 2 2 371.569 3.579 20 0 FHADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615336 932300342 /nfs/dbraw/zinc/30/03/42/932300342.db2.gz BMIKSSPALSGJLY-GHTZIAJQSA-N 2 2 371.569 3.579 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCCNc4ccccc43)[nH+]c2)C1 ZINC000581753248 932609195 /nfs/dbraw/zinc/60/91/95/932609195.db2.gz PGOHGQOCKNDDGQ-FXAWDEMLSA-N 2 2 351.498 3.581 20 0 FHADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000581854344 932746775 /nfs/dbraw/zinc/74/67/75/932746775.db2.gz WEKQHFZSSFTUAL-UHFFFAOYSA-N 2 2 371.872 3.583 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510531698 933193085 /nfs/dbraw/zinc/19/30/85/933193085.db2.gz CLUKNOTUEAAINY-OAHLLOKOSA-N 2 2 355.873 3.937 20 0 FHADLP O[C@@H](Cc1ccc2ccccc2c1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000548423618 933608755 /nfs/dbraw/zinc/60/87/55/933608755.db2.gz OOMVEYCECMOIAW-QFIPXVFZSA-N 2 2 361.489 3.715 20 0 FHADLP CCC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000431084925 933807636 /nfs/dbraw/zinc/80/76/36/933807636.db2.gz MDXBIWFIBPNSGD-UHFFFAOYSA-N 2 2 351.494 3.756 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC[NH2+]CC1 ZINC000431084925 933807645 /nfs/dbraw/zinc/80/76/45/933807645.db2.gz MDXBIWFIBPNSGD-UHFFFAOYSA-N 2 2 351.494 3.756 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc3O2)CC1 ZINC000647223097 934077119 /nfs/dbraw/zinc/07/71/19/934077119.db2.gz ZTVLCFNGLQLRQD-AWEZNQCLSA-N 2 2 360.445 3.546 20 0 FHADLP Brc1c[nH+]ccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000548479913 934102262 /nfs/dbraw/zinc/10/22/62/934102262.db2.gz MCXVSAAOHHFCCR-CQSZACIVSA-N 2 2 352.301 3.577 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000510932528 934188188 /nfs/dbraw/zinc/18/81/88/934188188.db2.gz MHBYMOUEXZJASN-OUFMZXHOSA-N 2 2 350.506 3.669 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000510932528 934188191 /nfs/dbraw/zinc/18/81/91/934188191.db2.gz MHBYMOUEXZJASN-OUFMZXHOSA-N 2 2 350.506 3.669 20 0 FHADLP c1cc(Oc2ccccc2)oc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000180962389 934429821 /nfs/dbraw/zinc/42/98/21/934429821.db2.gz PXCNKCSSXHPXMP-KRWDZBQOSA-N 2 2 356.466 3.662 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000582013651 934766632 /nfs/dbraw/zinc/76/66/32/934766632.db2.gz RQBORUBXVJPGED-HXUWFJFHSA-N 2 2 354.494 3.535 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000582013651 934766639 /nfs/dbraw/zinc/76/66/39/934766639.db2.gz RQBORUBXVJPGED-HXUWFJFHSA-N 2 2 354.494 3.535 20 0 FHADLP CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000277252492 934843052 /nfs/dbraw/zinc/84/30/52/934843052.db2.gz OCFAMSSCUCJSLN-XHSDSOJGSA-N 2 2 359.518 3.670 20 0 FHADLP CCn1nc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000472062743 934928347 /nfs/dbraw/zinc/92/83/47/934928347.db2.gz LBFGKLJSKUWCSQ-UHFFFAOYSA-N 2 2 362.521 3.853 20 0 FHADLP c1cc(C[NH2+]CC2(N3CCCCC3)CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657288934 934948782 /nfs/dbraw/zinc/94/87/82/934948782.db2.gz HWMQRAPPNVVXLS-UHFFFAOYSA-N 2 2 353.514 3.546 20 0 FHADLP CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088963 934967389 /nfs/dbraw/zinc/96/73/89/934967389.db2.gz MTBGCFWYJXLSGU-UHFFFAOYSA-N 2 2 366.465 3.667 20 0 FHADLP CC[N@H+](Cc1cccc2[nH]c(=O)oc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892088963 934967390 /nfs/dbraw/zinc/96/73/90/934967390.db2.gz MTBGCFWYJXLSGU-UHFFFAOYSA-N 2 2 366.465 3.667 20 0 FHADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657313203 935115882 /nfs/dbraw/zinc/11/58/82/935115882.db2.gz PSHXAEILLBBANA-ROUUACIJSA-N 2 2 367.541 3.771 20 0 FHADLP C[C@@H](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236907 935197462 /nfs/dbraw/zinc/19/74/62/935197462.db2.gz AEEMAVKIHVFJSU-QRVBRYPASA-N 2 2 368.525 3.629 20 0 FHADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000582066311 935204271 /nfs/dbraw/zinc/20/42/71/935204271.db2.gz XOUGXUGAHIQHMW-SFHVURJKSA-N 2 2 360.299 3.573 20 0 FHADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000582066311 935204276 /nfs/dbraw/zinc/20/42/76/935204276.db2.gz XOUGXUGAHIQHMW-SFHVURJKSA-N 2 2 360.299 3.573 20 0 FHADLP C[N@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000152149161 935247575 /nfs/dbraw/zinc/24/75/75/935247575.db2.gz QCWYKAGENXATKA-UHFFFAOYSA-N 2 2 359.464 3.541 20 0 FHADLP C[N@@H+](CCc1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000152149161 935247579 /nfs/dbraw/zinc/24/75/79/935247579.db2.gz QCWYKAGENXATKA-UHFFFAOYSA-N 2 2 359.464 3.541 20 0 FHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000564664325 935299140 /nfs/dbraw/zinc/29/91/40/935299140.db2.gz NSVGEUUXSCTLKS-RTBURBONSA-N 2 2 358.574 3.504 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+]Cc2cc(F)ccc2OC(F)F)ccc1F ZINC000657364491 935385337 /nfs/dbraw/zinc/38/53/37/935385337.db2.gz WLVOPGIOGPNPCC-UHFFFAOYSA-N 2 2 356.363 3.918 20 0 FHADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109795443 935521652 /nfs/dbraw/zinc/52/16/52/935521652.db2.gz NISRANLJMVRMCV-YLJYHZDGSA-N 2 2 354.498 3.566 20 0 FHADLP c1cc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)n(-c2cc[nH+]cc2)n1 ZINC000657430582 935715506 /nfs/dbraw/zinc/71/55/06/935715506.db2.gz RLSWUAQYOJXRCZ-FQEVSTJZSA-N 2 2 362.481 3.746 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000431419135 935755801 /nfs/dbraw/zinc/75/58/01/935755801.db2.gz CYLJNTCVJJQNLH-UGSOOPFHSA-N 2 2 358.486 3.691 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000431419135 935755802 /nfs/dbraw/zinc/75/58/02/935755802.db2.gz CYLJNTCVJJQNLH-UGSOOPFHSA-N 2 2 358.486 3.691 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000431419132 935755885 /nfs/dbraw/zinc/75/58/85/935755885.db2.gz CYLJNTCVJJQNLH-SCLBCKFNSA-N 2 2 358.486 3.691 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000431419132 935755888 /nfs/dbraw/zinc/75/58/88/935755888.db2.gz CYLJNTCVJJQNLH-SCLBCKFNSA-N 2 2 358.486 3.691 20 0 FHADLP Cc1nc2c(s1)[C@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCC2 ZINC000152875478 935875600 /nfs/dbraw/zinc/87/56/00/935875600.db2.gz KGLZSFHNTUJJSH-LJQANCHMSA-N 2 2 356.539 3.521 20 0 FHADLP Cc1cc(N2CC[NH+](Cc3ccc(F)c(OC(F)(F)F)c3)CC2)cc[nH+]1 ZINC001143446310 935966463 /nfs/dbraw/zinc/96/64/63/935966463.db2.gz CTAWGBZETTWZOM-UHFFFAOYSA-N 2 2 369.362 3.750 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000582727596 936002937 /nfs/dbraw/zinc/00/29/37/936002937.db2.gz LKOAVOYHXFZZFB-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000582727596 936002940 /nfs/dbraw/zinc/00/29/40/936002940.db2.gz LKOAVOYHXFZZFB-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OCc1cccs1 ZINC000075784381 936019531 /nfs/dbraw/zinc/01/95/31/936019531.db2.gz LODFGOGWSOSBEM-OAHLLOKOSA-N 2 2 357.479 3.711 20 0 FHADLP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3c(C)cccc3C)CC2)[nH+]1 ZINC000077316610 936044465 /nfs/dbraw/zinc/04/44/65/936044465.db2.gz CUPWVQRUDABDTA-SFHVURJKSA-N 2 2 366.509 3.910 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657587644 936066929 /nfs/dbraw/zinc/06/69/29/936066929.db2.gz ZDARINVSBPLYME-IBGZPJMESA-N 2 2 366.505 3.991 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657587644 936066934 /nfs/dbraw/zinc/06/69/34/936066934.db2.gz ZDARINVSBPLYME-IBGZPJMESA-N 2 2 366.505 3.991 20 0 FHADLP C[C@H](Oc1cc[nH+]c(NCc2c[nH+]c(N(C)C)n2C)c1)c1ccccc1 ZINC000657617217 936098240 /nfs/dbraw/zinc/09/82/40/936098240.db2.gz FHJPCLWJASFCEY-HNNXBMFYSA-N 2 2 351.454 3.633 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)c1ccccc1 ZINC000657648464 936151618 /nfs/dbraw/zinc/15/16/18/936151618.db2.gz LENKQMYZMDFZAA-QZTJIDSGSA-N 2 2 368.506 3.802 20 0 FHADLP c1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn2c1CCCC2 ZINC000657771971 938309292 /nfs/dbraw/zinc/30/92/92/938309292.db2.gz IEIOAWZLUCESCB-FQEVSTJZSA-N 2 2 364.537 3.611 20 0 FHADLP c1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn2c1CCCC2 ZINC000657771971 938309293 /nfs/dbraw/zinc/30/92/93/938309293.db2.gz IEIOAWZLUCESCB-FQEVSTJZSA-N 2 2 364.537 3.611 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692864 938363362 /nfs/dbraw/zinc/36/33/62/938363362.db2.gz JYSYCSMCEYVALB-BPUGDSSMSA-N 2 2 374.594 3.853 20 0 FHADLP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000583692864 938363364 /nfs/dbraw/zinc/36/33/64/938363364.db2.gz JYSYCSMCEYVALB-BPUGDSSMSA-N 2 2 374.594 3.853 20 0 FHADLP COc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000151168298 938439107 /nfs/dbraw/zinc/43/91/07/938439107.db2.gz DXMFGJFGCMUADI-GOSISDBHSA-N 2 2 373.541 3.610 20 0 FHADLP COc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000151168298 938439109 /nfs/dbraw/zinc/43/91/09/938439109.db2.gz DXMFGJFGCMUADI-GOSISDBHSA-N 2 2 373.541 3.610 20 0 FHADLP Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)o1 ZINC001279639386 938464995 /nfs/dbraw/zinc/46/49/95/938464995.db2.gz YBBOAVUXMYSBHU-QGZVFWFLSA-N 2 2 359.436 3.922 20 0 FHADLP Cc1nc(C)c(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)o1 ZINC001279639386 938465003 /nfs/dbraw/zinc/46/50/03/938465003.db2.gz YBBOAVUXMYSBHU-QGZVFWFLSA-N 2 2 359.436 3.922 20 0 FHADLP Cc1nc(C)c(C[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)o1 ZINC001279639386 938465006 /nfs/dbraw/zinc/46/50/06/938465006.db2.gz YBBOAVUXMYSBHU-QGZVFWFLSA-N 2 2 359.436 3.922 20 0 FHADLP Cc1nc(C)c(C[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)o1 ZINC001279639386 938465008 /nfs/dbraw/zinc/46/50/08/938465008.db2.gz YBBOAVUXMYSBHU-QGZVFWFLSA-N 2 2 359.436 3.922 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000647315233 938493192 /nfs/dbraw/zinc/49/31/92/938493192.db2.gz UNIDUUSJUBZOMP-JSGCOSHPSA-N 2 2 353.304 3.519 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000647315233 938493193 /nfs/dbraw/zinc/49/31/93/938493193.db2.gz UNIDUUSJUBZOMP-JSGCOSHPSA-N 2 2 353.304 3.519 20 0 FHADLP Cc1ccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3)c(C(C)(C)C)n2)cc1 ZINC000151310854 938523797 /nfs/dbraw/zinc/52/37/97/938523797.db2.gz QRQDHJKBLRHYLO-UHFFFAOYSA-N 2 2 351.498 3.855 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1N(C)C ZINC000151349419 938529502 /nfs/dbraw/zinc/52/95/02/938529502.db2.gz JFYJRAWCAFRRIA-INIZCTEOSA-N 2 2 352.457 3.987 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000584021121 938550718 /nfs/dbraw/zinc/55/07/18/938550718.db2.gz HKLFXFHQNNZGQQ-UHFFFAOYSA-N 2 2 365.525 3.948 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000584021121 938550721 /nfs/dbraw/zinc/55/07/21/938550721.db2.gz HKLFXFHQNNZGQQ-UHFFFAOYSA-N 2 2 365.525 3.948 20 0 FHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C(F)F)nc1 ZINC000657828167 938602329 /nfs/dbraw/zinc/60/23/29/938602329.db2.gz PROLGAPDKCFCGI-QGZVFWFLSA-N 2 2 374.479 3.882 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)Cc1ccccc1 ZINC000151723974 938645799 /nfs/dbraw/zinc/64/57/99/938645799.db2.gz JBOIVNIEXGPPRC-IBGZPJMESA-N 2 2 371.491 3.556 20 0 FHADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657841346 938701953 /nfs/dbraw/zinc/70/19/53/938701953.db2.gz PEQWLBFZAFSQMJ-SFHVURJKSA-N 2 2 367.528 3.854 20 0 FHADLP C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968767 938710780 /nfs/dbraw/zinc/71/07/80/938710780.db2.gz SBQCTENYJLOEAM-UHFFFAOYSA-N 2 2 366.440 3.977 20 0 FHADLP C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968767 938710783 /nfs/dbraw/zinc/71/07/83/938710783.db2.gz SBQCTENYJLOEAM-UHFFFAOYSA-N 2 2 366.440 3.977 20 0 FHADLP COc1cc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1SC ZINC000080983540 938712540 /nfs/dbraw/zinc/71/25/40/938712540.db2.gz KTBKYSQKUYLLHU-UHFFFAOYSA-N 2 2 357.523 3.913 20 0 FHADLP COc1cc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)ccc1SC ZINC000080983540 938712543 /nfs/dbraw/zinc/71/25/43/938712543.db2.gz KTBKYSQKUYLLHU-UHFFFAOYSA-N 2 2 357.523 3.913 20 0 FHADLP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000090843780 938883476 /nfs/dbraw/zinc/88/34/76/938883476.db2.gz IVELCQPYWJCYRZ-HSZRJFAPSA-N 2 2 370.512 3.718 20 0 FHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091587952 938903751 /nfs/dbraw/zinc/90/37/51/938903751.db2.gz XOHUPDLVKWHELQ-INIZCTEOSA-N 2 2 371.481 3.761 20 0 FHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091587952 938903752 /nfs/dbraw/zinc/90/37/52/938903752.db2.gz XOHUPDLVKWHELQ-INIZCTEOSA-N 2 2 371.481 3.761 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073493 938910791 /nfs/dbraw/zinc/91/07/91/938910791.db2.gz DNFMCRXUOHMECY-INIZCTEOSA-N 2 2 353.445 3.731 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073493 938910794 /nfs/dbraw/zinc/91/07/94/938910794.db2.gz DNFMCRXUOHMECY-INIZCTEOSA-N 2 2 353.445 3.731 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073496 938910940 /nfs/dbraw/zinc/91/09/40/938910940.db2.gz DNFMCRXUOHMECY-MRXNPFEDSA-N 2 2 353.445 3.731 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073496 938910942 /nfs/dbraw/zinc/91/09/42/938910942.db2.gz DNFMCRXUOHMECY-MRXNPFEDSA-N 2 2 353.445 3.731 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@H]3CC[N@H+](CC4CC4)C3)cc2cc1OC ZINC000657875651 938964574 /nfs/dbraw/zinc/96/45/74/938964574.db2.gz HQBWFFOWDGRTDA-QRWLVFNGSA-N 2 2 354.494 3.992 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@H]3CC[N@@H+](CC4CC4)C3)cc2cc1OC ZINC000657875651 938964576 /nfs/dbraw/zinc/96/45/76/938964576.db2.gz HQBWFFOWDGRTDA-QRWLVFNGSA-N 2 2 354.494 3.992 20 0 FHADLP CC(C)Sc1cccc(Cl)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458496 938988054 /nfs/dbraw/zinc/98/80/54/938988054.db2.gz ODLVTJPDEPPMIC-UHFFFAOYSA-N 2 2 370.006 3.910 20 0 FHADLP CC(C)Sc1cccc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000685458496 938988055 /nfs/dbraw/zinc/98/80/55/938988055.db2.gz ODLVTJPDEPPMIC-UHFFFAOYSA-N 2 2 370.006 3.910 20 0 FHADLP COc1ccc([C@@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000685648487 939008355 /nfs/dbraw/zinc/00/83/55/939008355.db2.gz RFTZTVJOODGVDF-QAPCUYQASA-N 2 2 351.450 3.769 20 0 FHADLP Clc1ccccc1N1CC[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658069911 939021760 /nfs/dbraw/zinc/02/17/60/939021760.db2.gz UEDVVOHRLGYNNY-QGZVFWFLSA-N 2 2 370.928 3.820 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090572 939022231 /nfs/dbraw/zinc/02/22/31/939022231.db2.gz HWATXUSHLXHTKG-KGLIPLIRSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090572 939022232 /nfs/dbraw/zinc/02/22/32/939022232.db2.gz HWATXUSHLXHTKG-KGLIPLIRSA-N 2 2 371.447 3.885 20 0 FHADLP CC[NH+]1CCC([NH2+][C@@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189701 939061816 /nfs/dbraw/zinc/06/18/16/939061816.db2.gz VGZUWNWWEPEELA-MRXNPFEDSA-N 2 2 355.345 3.811 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000658296333 939102311 /nfs/dbraw/zinc/10/23/11/939102311.db2.gz YYIOMFKFMXYNQQ-HTAPYJJXSA-N 2 2 351.494 3.653 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421838349 939128969 /nfs/dbraw/zinc/12/89/69/939128969.db2.gz UNDSEFZXXCOIJT-PXNSSMCTSA-N 2 2 350.510 3.539 20 0 FHADLP O=C(C[C@H]1CCC[NH2+]CC1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000427278996 945247755 /nfs/dbraw/zinc/24/77/55/945247755.db2.gz BBNRPBXJUGVXKA-INIZCTEOSA-N 2 2 352.482 3.605 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000569888382 940024942 /nfs/dbraw/zinc/02/49/42/940024942.db2.gz IPGBHTSFOOKNPR-UHFFFAOYSA-N 2 2 352.265 3.988 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000569888382 940024947 /nfs/dbraw/zinc/02/49/47/940024947.db2.gz IPGBHTSFOOKNPR-UHFFFAOYSA-N 2 2 352.265 3.988 20 0 FHADLP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000507515160 945292228 /nfs/dbraw/zinc/29/22/28/945292228.db2.gz UWRJLROIHQPHCJ-IBGZPJMESA-N 2 2 366.553 3.632 20 0 FHADLP c1cn(CCC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)c[nH+]1 ZINC000548931941 940083039 /nfs/dbraw/zinc/08/30/39/940083039.db2.gz IMVIEPUREKNCBP-XZOQPEGZSA-N 2 2 360.505 3.531 20 0 FHADLP COc1cc2[nH+]ccc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000570260995 940223080 /nfs/dbraw/zinc/22/30/80/940223080.db2.gz BDQARMZNCOOSCE-KDOFPFPSSA-N 2 2 352.438 3.536 20 0 FHADLP Cc1nc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)sc1C ZINC000892509879 940229457 /nfs/dbraw/zinc/22/94/57/940229457.db2.gz DHMHTNKVRKKEEH-GJZGRUSLSA-N 2 2 359.539 3.659 20 0 FHADLP CC[N@H+](CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000636123042 940273221 /nfs/dbraw/zinc/27/32/21/940273221.db2.gz WJIOCCOCXPETQC-MRXNPFEDSA-N 2 2 374.451 3.538 20 0 FHADLP CC[N@@H+](CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C1CCCCC1 ZINC000636123042 940273224 /nfs/dbraw/zinc/27/32/24/940273224.db2.gz WJIOCCOCXPETQC-MRXNPFEDSA-N 2 2 374.451 3.538 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000570407156 940291547 /nfs/dbraw/zinc/29/15/47/940291547.db2.gz BCGKSVVOALVCJM-LJQANCHMSA-N 2 2 352.482 3.650 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)[nH+]1 ZINC000570407156 940291550 /nfs/dbraw/zinc/29/15/50/940291550.db2.gz BCGKSVVOALVCJM-LJQANCHMSA-N 2 2 352.482 3.650 20 0 FHADLP CSc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000685844072 940443926 /nfs/dbraw/zinc/44/39/26/940443926.db2.gz MZMKKUNOEWKORX-LJQANCHMSA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000685844072 940443931 /nfs/dbraw/zinc/44/39/31/940443931.db2.gz MZMKKUNOEWKORX-LJQANCHMSA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000685844072 940443933 /nfs/dbraw/zinc/44/39/33/940443933.db2.gz MZMKKUNOEWKORX-LJQANCHMSA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000685844072 940443936 /nfs/dbraw/zinc/44/39/36/940443936.db2.gz MZMKKUNOEWKORX-LJQANCHMSA-N 2 2 362.564 3.539 20 0 FHADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000414056424 940460951 /nfs/dbraw/zinc/46/09/51/940460951.db2.gz DKJGTNJTZSYDRR-HNNXBMFYSA-N 2 2 373.522 3.766 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064348 940472933 /nfs/dbraw/zinc/47/29/33/940472933.db2.gz FOQYIJWJSBFWFW-QZTJIDSGSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064348 940472936 /nfs/dbraw/zinc/47/29/36/940472936.db2.gz FOQYIJWJSBFWFW-QZTJIDSGSA-N 2 2 352.526 3.912 20 0 FHADLP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000414080016 940485737 /nfs/dbraw/zinc/48/57/37/940485737.db2.gz UEKBLYIOCQVMSR-AWEZNQCLSA-N 2 2 361.511 3.622 20 0 FHADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000414085321 940488246 /nfs/dbraw/zinc/48/82/46/940488246.db2.gz YFFIZYLNKAHMRG-AWEZNQCLSA-N 2 2 361.511 3.621 20 0 FHADLP COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000414085321 940488247 /nfs/dbraw/zinc/48/82/47/940488247.db2.gz YFFIZYLNKAHMRG-AWEZNQCLSA-N 2 2 361.511 3.621 20 0 FHADLP Brc1sccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000282305684 940630565 /nfs/dbraw/zinc/63/05/65/940630565.db2.gz DAKYFCVHGGJGCC-UHFFFAOYSA-N 2 2 352.301 3.664 20 0 FHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414130549 940643879 /nfs/dbraw/zinc/64/38/79/940643879.db2.gz WQXGIGDVFAICKY-OHSMVPPVSA-N 2 2 350.510 3.676 20 0 FHADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414130549 940643880 /nfs/dbraw/zinc/64/38/80/940643880.db2.gz WQXGIGDVFAICKY-OHSMVPPVSA-N 2 2 350.510 3.676 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000414274381 940882700 /nfs/dbraw/zinc/88/27/00/940882700.db2.gz UUNOFDKHEAHWEF-VLCRHTCISA-N 2 2 370.541 3.652 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000414274381 940882703 /nfs/dbraw/zinc/88/27/03/940882703.db2.gz UUNOFDKHEAHWEF-VLCRHTCISA-N 2 2 370.541 3.652 20 0 FHADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186318032 940982095 /nfs/dbraw/zinc/98/20/95/940982095.db2.gz DJEHNDKDNFHQNQ-JOCHJYFZSA-N 2 2 374.488 3.609 20 0 FHADLP CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186318032 940982098 /nfs/dbraw/zinc/98/20/98/940982098.db2.gz DJEHNDKDNFHQNQ-JOCHJYFZSA-N 2 2 374.488 3.609 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414340292 941004851 /nfs/dbraw/zinc/00/48/51/941004851.db2.gz MPECRWVDSYQMRL-UJFGGOPNSA-N 2 2 365.521 3.694 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000414340292 941004852 /nfs/dbraw/zinc/00/48/52/941004852.db2.gz MPECRWVDSYQMRL-UJFGGOPNSA-N 2 2 365.521 3.694 20 0 FHADLP COc1cc2c(cc1C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)O[C@H](C)C2 ZINC000030901942 941086691 /nfs/dbraw/zinc/08/66/91/941086691.db2.gz TTZBMIKMRZGRES-MRXNPFEDSA-N 2 2 363.461 3.553 20 0 FHADLP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(C(C)C)[nH+]1 ZINC000302797639 941124031 /nfs/dbraw/zinc/12/40/31/941124031.db2.gz RCXQGZUSEOMEOT-IBGZPJMESA-N 2 2 354.498 3.611 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256063 941152052 /nfs/dbraw/zinc/15/20/52/941152052.db2.gz YTDWIKRMRSOAMP-MKXGPGLRSA-N 2 2 365.562 3.629 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256063 941152054 /nfs/dbraw/zinc/15/20/54/941152054.db2.gz YTDWIKRMRSOAMP-MKXGPGLRSA-N 2 2 365.562 3.629 20 0 FHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(C(F)(F)F)c1 ZINC001143485743 941490014 /nfs/dbraw/zinc/49/00/14/941490014.db2.gz IXYAQNFMVUWESO-UHFFFAOYSA-N 2 2 365.399 3.740 20 0 FHADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039691 941560450 /nfs/dbraw/zinc/56/04/50/941560450.db2.gz JMCBGBSTBZSULC-WBVHZDCISA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039691 941560452 /nfs/dbraw/zinc/56/04/52/941560452.db2.gz JMCBGBSTBZSULC-WBVHZDCISA-N 2 2 352.906 3.711 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415063634 941581444 /nfs/dbraw/zinc/58/14/44/941581444.db2.gz IMBPFDCSKXJHQA-IFMALSPDSA-N 2 2 354.494 3.596 20 0 FHADLP FC(F)(F)COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)ccn1 ZINC000415079771 941591505 /nfs/dbraw/zinc/59/15/05/941591505.db2.gz KOKRSQNOBACQHQ-SJORKVTESA-N 2 2 365.399 3.606 20 0 FHADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)s2)cc1 ZINC000415091672 941601507 /nfs/dbraw/zinc/60/15/07/941601507.db2.gz DAEAUDMUCVWAGH-CQSZACIVSA-N 2 2 356.413 3.512 20 0 FHADLP O=C(CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)OCc1ccccc1 ZINC000783030714 941779868 /nfs/dbraw/zinc/77/98/68/941779868.db2.gz OMGCNPAVNUXDCK-UHFFFAOYSA-N 2 2 355.482 3.509 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000377586798 941825790 /nfs/dbraw/zinc/82/57/90/941825790.db2.gz ZGCYNRUHWUOEJN-QZTJIDSGSA-N 2 2 356.432 3.913 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000513286206 941829116 /nfs/dbraw/zinc/82/91/16/941829116.db2.gz JAOSSNBVDGJDQU-UHFFFAOYSA-N 2 2 362.477 3.834 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000119319427 941879456 /nfs/dbraw/zinc/87/94/56/941879456.db2.gz XIHNNFRWVYAPBS-HUUCEWRRSA-N 2 2 371.447 3.887 20 0 FHADLP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000377712681 941924332 /nfs/dbraw/zinc/92/43/32/941924332.db2.gz MZCVJAICEBDZIA-KRWDZBQOSA-N 2 2 370.497 3.508 20 0 FHADLP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000377712681 941924335 /nfs/dbraw/zinc/92/43/35/941924335.db2.gz MZCVJAICEBDZIA-KRWDZBQOSA-N 2 2 370.497 3.508 20 0 FHADLP C[C@@H]1C[C@H](NC[C@@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481381 941957516 /nfs/dbraw/zinc/95/75/16/941957516.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H](NC[C@@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481381 941957518 /nfs/dbraw/zinc/95/75/18/941957518.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481381 941957520 /nfs/dbraw/zinc/95/75/20/941957520.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481381 941957522 /nfs/dbraw/zinc/95/75/22/941957522.db2.gz BCIHSCRASKFCQH-RLLQIKCJSA-N 2 2 357.567 3.994 20 0 FHADLP c1ccc(C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)c2cccnc2)nc1 ZINC000513487907 941958694 /nfs/dbraw/zinc/95/86/94/941958694.db2.gz LQRLRTPURSTZGO-XMMPIXPASA-N 2 2 372.516 3.798 20 0 FHADLP c1ccc(C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)c2cccnc2)nc1 ZINC000513487907 941958697 /nfs/dbraw/zinc/95/86/97/941958697.db2.gz LQRLRTPURSTZGO-XMMPIXPASA-N 2 2 372.516 3.798 20 0 FHADLP c1cn(Cc2ccccc2C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000513495837 941963507 /nfs/dbraw/zinc/96/35/07/941963507.db2.gz WDPUPZBRYLUGPM-QHCPKHFHSA-N 2 2 369.472 3.795 20 0 FHADLP c1cn(Cc2ccccc2C[NH2+][C@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000513495836 941963692 /nfs/dbraw/zinc/96/36/92/941963692.db2.gz WDPUPZBRYLUGPM-HSZRJFAPSA-N 2 2 369.472 3.795 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793493 941995834 /nfs/dbraw/zinc/99/58/34/941995834.db2.gz SJYCKNPHZBDNMK-KZULUSFZSA-N 2 2 351.466 3.730 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@H](C)C2)s1 ZINC000377793493 941995840 /nfs/dbraw/zinc/99/58/40/941995840.db2.gz SJYCKNPHZBDNMK-KZULUSFZSA-N 2 2 351.466 3.730 20 0 FHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000163806860 942054275 /nfs/dbraw/zinc/05/42/75/942054275.db2.gz KNSYGWKDCKZJOK-QGZVFWFLSA-N 2 2 365.481 3.547 20 0 FHADLP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697678 942204164 /nfs/dbraw/zinc/20/41/64/942204164.db2.gz QNEGVVZQRGFQNF-KJJMTIBFSA-N 2 2 364.537 3.547 20 0 FHADLP c1n[nH]c2c1CC[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697678 942204169 /nfs/dbraw/zinc/20/41/69/942204169.db2.gz QNEGVVZQRGFQNF-KJJMTIBFSA-N 2 2 364.537 3.547 20 0 FHADLP CCc1cc(C)cc(CC)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280740138 942242522 /nfs/dbraw/zinc/24/25/22/942242522.db2.gz LLHUHNMBTSKEAD-UHFFFAOYSA-N 2 2 374.573 3.610 20 0 FHADLP CCc1cc(C)cc(CC)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280740138 942242525 /nfs/dbraw/zinc/24/25/25/942242525.db2.gz LLHUHNMBTSKEAD-UHFFFAOYSA-N 2 2 374.573 3.610 20 0 FHADLP Clc1ccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420935960 942263078 /nfs/dbraw/zinc/26/30/78/942263078.db2.gz KFNGMVXLHDCUAV-UHFFFAOYSA-N 2 2 356.897 3.951 20 0 FHADLP Cc1cnc(C2CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)s1 ZINC000420916168 942266378 /nfs/dbraw/zinc/26/63/78/942266378.db2.gz GVFHHRDNOIWOBK-UHFFFAOYSA-N 2 2 371.550 3.663 20 0 FHADLP Cc1csc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)n1 ZINC000420953092 942272750 /nfs/dbraw/zinc/27/27/50/942272750.db2.gz UQPILQCAAHONSI-LJQANCHMSA-N 2 2 357.523 3.525 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)CC1 ZINC000421027907 942301573 /nfs/dbraw/zinc/30/15/73/942301573.db2.gz ASPANZXBZMJTGU-UHFFFAOYSA-N 2 2 372.557 3.636 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cc(C)cc3C)CC2)CC1 ZINC000421027907 942301579 /nfs/dbraw/zinc/30/15/79/942301579.db2.gz ASPANZXBZMJTGU-UHFFFAOYSA-N 2 2 372.557 3.636 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414419477 942325665 /nfs/dbraw/zinc/32/56/65/942325665.db2.gz ZSCJJCZUGHUWNI-HTAPYJJXSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414419477 942325671 /nfs/dbraw/zinc/32/56/71/942325671.db2.gz ZSCJJCZUGHUWNI-HTAPYJJXSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414419477 942325675 /nfs/dbraw/zinc/32/56/75/942325675.db2.gz ZSCJJCZUGHUWNI-HTAPYJJXSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414419477 942325680 /nfs/dbraw/zinc/32/56/80/942325680.db2.gz ZSCJJCZUGHUWNI-HTAPYJJXSA-N 2 2 368.500 3.769 20 0 FHADLP c1cn(-c2csc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2)cn1 ZINC000502323346 942354890 /nfs/dbraw/zinc/35/48/90/942354890.db2.gz VIKKUNTVWKWZFZ-INIZCTEOSA-N 2 2 367.522 3.846 20 0 FHADLP c1cn(-c2csc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2)cn1 ZINC000502323346 942354893 /nfs/dbraw/zinc/35/48/93/942354893.db2.gz VIKKUNTVWKWZFZ-INIZCTEOSA-N 2 2 367.522 3.846 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(C2CCCC2)c1 ZINC000502435572 942452072 /nfs/dbraw/zinc/45/20/72/942452072.db2.gz OMZMMTFHKNODHU-OXQOHEQNSA-N 2 2 368.529 3.707 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cnn(C2CCCC2)c1 ZINC000502435571 942452299 /nfs/dbraw/zinc/45/22/99/942452299.db2.gz OMZMMTFHKNODHU-OXJNMPFZSA-N 2 2 368.529 3.707 20 0 FHADLP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)c1ccccc1 ZINC000414829794 942479598 /nfs/dbraw/zinc/47/95/98/942479598.db2.gz LGBREIBKVKVYTG-AWEZNQCLSA-N 2 2 371.225 3.840 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181100474 942485194 /nfs/dbraw/zinc/48/51/94/942485194.db2.gz UNFKUVXCOCPFSS-GFCCVEGCSA-N 2 2 355.269 3.539 20 0 FHADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831815 942500144 /nfs/dbraw/zinc/50/01/44/942500144.db2.gz NYPWSFLDSCZHRZ-SJCJKPOMSA-N 2 2 351.263 3.809 20 0 FHADLP C[NH+](C)[C@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000416245880 942547723 /nfs/dbraw/zinc/54/77/23/942547723.db2.gz TYWLEVWRWBNKOT-VQTJNVASSA-N 2 2 371.912 3.506 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000420293670 942596381 /nfs/dbraw/zinc/59/63/81/942596381.db2.gz ACBKDIPIWYBPJU-GFCCVEGCSA-N 2 2 370.337 3.554 20 0 FHADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000420293670 942596386 /nfs/dbraw/zinc/59/63/86/942596386.db2.gz ACBKDIPIWYBPJU-GFCCVEGCSA-N 2 2 370.337 3.554 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293206 942597616 /nfs/dbraw/zinc/59/76/16/942597616.db2.gz QLPUKRGJHCCXBZ-FXAWDEMLSA-N 2 2 363.505 3.509 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000420293206 942597617 /nfs/dbraw/zinc/59/76/17/942597617.db2.gz QLPUKRGJHCCXBZ-FXAWDEMLSA-N 2 2 363.505 3.509 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420282471 942603435 /nfs/dbraw/zinc/60/34/35/942603435.db2.gz BLXHLGISGMDTAL-BEFAXECRSA-N 2 2 357.885 3.609 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000420282471 942603440 /nfs/dbraw/zinc/60/34/40/942603440.db2.gz BLXHLGISGMDTAL-BEFAXECRSA-N 2 2 357.885 3.609 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420286370 942606354 /nfs/dbraw/zinc/60/63/54/942606354.db2.gz GCLSHSGZPWUZBK-QFUCXCTJSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420286370 942606357 /nfs/dbraw/zinc/60/63/57/942606357.db2.gz GCLSHSGZPWUZBK-QFUCXCTJSA-N 2 2 351.494 3.734 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345410 942626982 /nfs/dbraw/zinc/62/69/82/942626982.db2.gz WDYDRHNEJPZKSA-WBMJQRKESA-N 2 2 370.324 3.784 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000420352788 942634100 /nfs/dbraw/zinc/63/41/00/942634100.db2.gz AVXSYXODOOPFCG-GFCCVEGCSA-N 2 2 351.235 3.514 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420360182 942637673 /nfs/dbraw/zinc/63/76/73/942637673.db2.gz KQTCRJLXGMHQRA-UYAOXDASSA-N 2 2 373.928 3.509 20 0 FHADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420399329 942655799 /nfs/dbraw/zinc/65/57/99/942655799.db2.gz NXKYEDOOMILUCV-CRAIPNDOSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cs1 ZINC000420399329 942655800 /nfs/dbraw/zinc/65/58/00/942655800.db2.gz NXKYEDOOMILUCV-CRAIPNDOSA-N 2 2 357.523 3.783 20 0 FHADLP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420402169 942661723 /nfs/dbraw/zinc/66/17/23/942661723.db2.gz JVMXDHHMHYJHPC-OAHLLOKOSA-N 2 2 356.495 3.707 20 0 FHADLP CC(C)[C@@H]1[N@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC12CCOCC2 ZINC000414534806 942682173 /nfs/dbraw/zinc/68/21/73/942682173.db2.gz GUHNLRGLQBWZOY-IBGZPJMESA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@@H]1[N@@H+](Cc2nc3c(s2)C[NH+](C(C)C)CC3)CC12CCOCC2 ZINC000414534806 942682176 /nfs/dbraw/zinc/68/21/76/942682176.db2.gz GUHNLRGLQBWZOY-IBGZPJMESA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@@H]1[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC12CCOCC2 ZINC000414534806 942682184 /nfs/dbraw/zinc/68/21/84/942682184.db2.gz GUHNLRGLQBWZOY-IBGZPJMESA-N 2 2 363.571 3.547 20 0 FHADLP CC(C)[C@@H]1[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC12CCOCC2 ZINC000414534806 942682189 /nfs/dbraw/zinc/68/21/89/942682189.db2.gz GUHNLRGLQBWZOY-IBGZPJMESA-N 2 2 363.571 3.547 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(Cl)c1Cl ZINC000434470637 942690112 /nfs/dbraw/zinc/69/01/12/942690112.db2.gz OWRMILLEHYKBHJ-DJIMGWMZSA-N 2 2 357.325 3.719 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(Cl)c1Cl ZINC000434470637 942690114 /nfs/dbraw/zinc/69/01/14/942690114.db2.gz OWRMILLEHYKBHJ-DJIMGWMZSA-N 2 2 357.325 3.719 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000514085108 942736943 /nfs/dbraw/zinc/73/69/43/942736943.db2.gz TUESEYZVLBTHEZ-INIZCTEOSA-N 2 2 372.534 3.892 20 0 FHADLP Cc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979831 942742460 /nfs/dbraw/zinc/74/24/60/942742460.db2.gz PEXFCXVQOWMSHG-QFIPXVFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979831 942742463 /nfs/dbraw/zinc/74/24/63/942742463.db2.gz PEXFCXVQOWMSHG-QFIPXVFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979831 942742468 /nfs/dbraw/zinc/74/24/68/942742468.db2.gz PEXFCXVQOWMSHG-QFIPXVFZSA-N 2 2 350.510 3.582 20 0 FHADLP Cc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(C)n1 ZINC000659979831 942742470 /nfs/dbraw/zinc/74/24/70/942742470.db2.gz PEXFCXVQOWMSHG-QFIPXVFZSA-N 2 2 350.510 3.582 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428788 942754362 /nfs/dbraw/zinc/75/43/62/942754362.db2.gz KENGSEXRZJWZPX-KHYOSLBOSA-N 2 2 354.523 3.978 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428788 942754367 /nfs/dbraw/zinc/75/43/67/942754367.db2.gz KENGSEXRZJWZPX-KHYOSLBOSA-N 2 2 354.523 3.978 20 0 FHADLP COC1([C@@H](C)[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CCCC1 ZINC000421828182 942835655 /nfs/dbraw/zinc/83/56/55/942835655.db2.gz BKGUXMIBIPAOQI-RTBURBONSA-N 2 2 360.542 3.824 20 0 FHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414849962 942847858 /nfs/dbraw/zinc/84/78/58/942847858.db2.gz RUBDOWYZFIZMHS-HRAATJIYSA-N 2 2 369.509 3.825 20 0 FHADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414850560 942866993 /nfs/dbraw/zinc/86/69/93/942866993.db2.gz SOVJEBONGNCVFO-IERDGZPVSA-N 2 2 369.509 3.825 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc4sccc4c3)CC2)CC1 ZINC000422029543 942946107 /nfs/dbraw/zinc/94/61/07/942946107.db2.gz ZWOCFDMGUKEWJL-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc4sccc4c3)CC2)CC1 ZINC000422029543 942946112 /nfs/dbraw/zinc/94/61/12/942946112.db2.gz ZWOCFDMGUKEWJL-UHFFFAOYSA-N 2 2 371.550 3.534 20 0 FHADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075088 942959757 /nfs/dbraw/zinc/95/97/57/942959757.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 3 2 373.589 3.683 20 0 FHADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075088 942959763 /nfs/dbraw/zinc/95/97/63/942959763.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 3 2 373.589 3.683 20 0 FHADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075088 942959767 /nfs/dbraw/zinc/95/97/67/942959767.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 3 2 373.589 3.683 20 0 FHADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000503075088 942959775 /nfs/dbraw/zinc/95/97/75/942959775.db2.gz MZWLFLNCPTWWNI-LJQANCHMSA-N 3 2 373.589 3.683 20 0 FHADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218117 943003097 /nfs/dbraw/zinc/00/30/97/943003097.db2.gz XMDLWHGOUTYONY-UXHICEINSA-N 2 2 368.525 3.558 20 0 FHADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218117 943003103 /nfs/dbraw/zinc/00/31/03/943003103.db2.gz XMDLWHGOUTYONY-UXHICEINSA-N 2 2 368.525 3.558 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414858561 943051788 /nfs/dbraw/zinc/05/17/88/943051788.db2.gz KANIXDIONSCJJW-UHFFFAOYSA-N 2 2 369.509 3.811 20 0 FHADLP CC(C)n1cc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000271935602 943072047 /nfs/dbraw/zinc/07/20/47/943072047.db2.gz ADBQTTGEQFRARK-INIZCTEOSA-N 2 2 356.518 3.563 20 0 FHADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000434989997 943089198 /nfs/dbraw/zinc/08/91/98/943089198.db2.gz DOXXLAYTHNXHBO-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000434989997 943089207 /nfs/dbraw/zinc/08/92/07/943089207.db2.gz DOXXLAYTHNXHBO-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP Clc1ccc2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)n2c1 ZINC000435059374 943131064 /nfs/dbraw/zinc/13/10/64/943131064.db2.gz HPQWREAROGIHDI-UHFFFAOYSA-N 2 2 369.900 3.900 20 0 FHADLP COc1ccc([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1F ZINC000272311828 943134793 /nfs/dbraw/zinc/13/47/93/943134793.db2.gz TZJIXIXLSDLTDH-HNNXBMFYSA-N 2 2 372.488 3.933 20 0 FHADLP CCN(CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000503409115 943167960 /nfs/dbraw/zinc/16/79/60/943167960.db2.gz IVUAVFNNFLFPCT-INIZCTEOSA-N 2 2 372.479 3.673 20 0 FHADLP CCN(CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC(F)(F)F ZINC000503409115 943167963 /nfs/dbraw/zinc/16/79/63/943167963.db2.gz IVUAVFNNFLFPCT-INIZCTEOSA-N 2 2 372.479 3.673 20 0 FHADLP COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1OCc1ccccc1 ZINC000422562737 943183113 /nfs/dbraw/zinc/18/31/13/943183113.db2.gz QTVXPHAKGKOTRU-UHFFFAOYSA-N 2 2 352.478 3.602 20 0 FHADLP Fc1cccc(Cl)c1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC000514666525 943201266 /nfs/dbraw/zinc/20/12/66/943201266.db2.gz TYLBDYVKHXXQBS-MRXNPFEDSA-N 2 2 365.880 3.995 20 0 FHADLP Fc1cccc(Cl)c1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC000514666525 943201271 /nfs/dbraw/zinc/20/12/71/943201271.db2.gz TYLBDYVKHXXQBS-MRXNPFEDSA-N 2 2 365.880 3.995 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115057 943209704 /nfs/dbraw/zinc/20/97/04/943209704.db2.gz KCNBFJCZDHUHKF-GUYCJALGSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115057 943209708 /nfs/dbraw/zinc/20/97/08/943209708.db2.gz KCNBFJCZDHUHKF-GUYCJALGSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1OC(F)F ZINC000660115057 943209715 /nfs/dbraw/zinc/20/97/15/943209715.db2.gz KCNBFJCZDHUHKF-GUYCJALGSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1OC(F)F ZINC000660115057 943209719 /nfs/dbraw/zinc/20/97/19/943209719.db2.gz KCNBFJCZDHUHKF-GUYCJALGSA-N 2 2 354.416 3.876 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132149 943210193 /nfs/dbraw/zinc/21/01/93/943210193.db2.gz ZLPZLTJRRFSRDZ-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132149 943210198 /nfs/dbraw/zinc/21/01/98/943210198.db2.gz ZLPZLTJRRFSRDZ-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132149 943210201 /nfs/dbraw/zinc/21/02/01/943210201.db2.gz ZLPZLTJRRFSRDZ-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132149 943210205 /nfs/dbraw/zinc/21/02/05/943210205.db2.gz ZLPZLTJRRFSRDZ-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000505629277 943239957 /nfs/dbraw/zinc/23/99/57/943239957.db2.gz HIAPTKPEWPZCPU-LAUBAEHRSA-N 2 2 362.477 3.602 20 0 FHADLP C[C@H]([NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718008 943255940 /nfs/dbraw/zinc/25/59/40/943255940.db2.gz WOQWAVPHVRAUHU-KXBFYZLASA-N 2 2 369.475 3.790 20 0 FHADLP C[C@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422718008 943255945 /nfs/dbraw/zinc/25/59/45/943255945.db2.gz WOQWAVPHVRAUHU-KXBFYZLASA-N 2 2 369.475 3.790 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)c1c[nH+]ccc1N ZINC000422719378 943257606 /nfs/dbraw/zinc/25/76/06/943257606.db2.gz QZENTNKNKZPTHA-OAHLLOKOSA-N 2 2 352.482 3.864 20 0 FHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732366 943260012 /nfs/dbraw/zinc/26/00/12/943260012.db2.gz KRLUTIVFAPYGKQ-KDOFPFPSSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732366 943260021 /nfs/dbraw/zinc/26/00/21/943260021.db2.gz KRLUTIVFAPYGKQ-KDOFPFPSSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000514732366 943260028 /nfs/dbraw/zinc/26/00/28/943260028.db2.gz KRLUTIVFAPYGKQ-KDOFPFPSSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000514732366 943260035 /nfs/dbraw/zinc/26/00/35/943260035.db2.gz KRLUTIVFAPYGKQ-KDOFPFPSSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732368 943260336 /nfs/dbraw/zinc/26/03/36/943260336.db2.gz KRLUTIVFAPYGKQ-RDTXWAMCSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732368 943260344 /nfs/dbraw/zinc/26/03/44/943260344.db2.gz KRLUTIVFAPYGKQ-RDTXWAMCSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000514732368 943260352 /nfs/dbraw/zinc/26/03/52/943260352.db2.gz KRLUTIVFAPYGKQ-RDTXWAMCSA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000514732368 943260357 /nfs/dbraw/zinc/26/03/57/943260357.db2.gz KRLUTIVFAPYGKQ-RDTXWAMCSA-N 2 2 362.901 3.560 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422771763 943277615 /nfs/dbraw/zinc/27/76/15/943277615.db2.gz YNVQBAHACKOJPU-NRDMVMEKSA-N 2 2 360.542 3.919 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000422784417 943282392 /nfs/dbraw/zinc/28/23/92/943282392.db2.gz POOJTLUKBVXCKB-ABSDTBQOSA-N 2 2 354.494 3.780 20 0 FHADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422829725 943298108 /nfs/dbraw/zinc/29/81/08/943298108.db2.gz HUJIICPNPDOMLV-NJDAHSKKSA-N 2 2 352.526 3.526 20 0 FHADLP C[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000422815535 943302772 /nfs/dbraw/zinc/30/27/72/943302772.db2.gz XTGNOMKYZKQIES-JEBQAFNWSA-N 2 2 356.432 3.556 20 0 FHADLP c1coc(-c2nc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cs2)c1 ZINC000422893306 943330111 /nfs/dbraw/zinc/33/01/11/943330111.db2.gz PYOJQPKMYXWUGF-UZLBHIALSA-N 2 2 367.474 3.749 20 0 FHADLP CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022947 943369955 /nfs/dbraw/zinc/36/99/55/943369955.db2.gz ISHIISYELWPADL-UTRMSSBJSA-N 2 2 353.913 3.722 20 0 FHADLP C[C@@H]([NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423041663 943375339 /nfs/dbraw/zinc/37/53/39/943375339.db2.gz XQGLTVNWQCSOLQ-NOZJJQNGSA-N 2 2 351.210 3.640 20 0 FHADLP Fc1cc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423088357 943389680 /nfs/dbraw/zinc/38/96/80/943389680.db2.gz RRNDJMIMPNIGKK-DNVCBOLYSA-N 2 2 366.358 3.589 20 0 FHADLP Cc1cc(Cl)ccc1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433824 943396408 /nfs/dbraw/zinc/39/64/08/943396408.db2.gz PEIJAIAAWQBMMO-GOSISDBHSA-N 2 2 358.917 3.526 20 0 FHADLP Cc1cc(Cl)ccc1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433824 943396413 /nfs/dbraw/zinc/39/64/13/943396413.db2.gz PEIJAIAAWQBMMO-GOSISDBHSA-N 2 2 358.917 3.526 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420681 943400571 /nfs/dbraw/zinc/40/05/71/943400571.db2.gz FFDISGKIDNIOTC-YADGQWAMSA-N 2 2 368.500 3.700 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420681 943400574 /nfs/dbraw/zinc/40/05/74/943400574.db2.gz FFDISGKIDNIOTC-YADGQWAMSA-N 2 2 368.500 3.700 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000423107366 943402832 /nfs/dbraw/zinc/40/28/32/943402832.db2.gz PUDILKVHIQNGSZ-JEBQAFNWSA-N 2 2 356.432 3.903 20 0 FHADLP Cc1cc(Cl)cc(C)c1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435426601 943405911 /nfs/dbraw/zinc/40/59/11/943405911.db2.gz IXKCNSXVCFPRPM-IBGZPJMESA-N 2 2 372.944 3.835 20 0 FHADLP Cc1cc(Cl)cc(C)c1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435426601 943405914 /nfs/dbraw/zinc/40/59/14/943405914.db2.gz IXKCNSXVCFPRPM-IBGZPJMESA-N 2 2 372.944 3.835 20 0 FHADLP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000514966850 943413088 /nfs/dbraw/zinc/41/30/88/943413088.db2.gz ROOOPKNCTFPPJC-UHFFFAOYSA-N 2 2 368.525 3.706 20 0 FHADLP COc1ccc2oc(C[N@@H+](Cc3scnc3C)C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000435436465 943414992 /nfs/dbraw/zinc/41/49/92/943414992.db2.gz GJWWALKRHXUJRP-OAHLLOKOSA-N 2 2 371.506 3.818 20 0 FHADLP COc1ccc2oc(C[N@H+](Cc3scnc3C)C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000435436465 943414996 /nfs/dbraw/zinc/41/49/96/943414996.db2.gz GJWWALKRHXUJRP-OAHLLOKOSA-N 2 2 371.506 3.818 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cc(C)sc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437760 943415844 /nfs/dbraw/zinc/41/58/44/943415844.db2.gz LIGOYYATKFWLFE-SFHVURJKSA-N 2 2 358.555 3.726 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cc(C)sc1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435437760 943415849 /nfs/dbraw/zinc/41/58/49/943415849.db2.gz LIGOYYATKFWLFE-SFHVURJKSA-N 2 2 358.555 3.726 20 0 FHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000423159385 943418297 /nfs/dbraw/zinc/41/82/97/943418297.db2.gz OYWVPPHFSZQSLO-KURKYZTESA-N 2 2 350.384 3.863 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423187425 943434300 /nfs/dbraw/zinc/43/43/00/943434300.db2.gz PKLHNJXOPRLUAB-IITNATTFSA-N 2 2 366.505 3.890 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423237732 943444523 /nfs/dbraw/zinc/44/45/23/943444523.db2.gz IMCQZSQDAVBNAW-LAUBAEHRSA-N 2 2 353.510 3.841 20 0 FHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423259522 943462144 /nfs/dbraw/zinc/46/21/44/943462144.db2.gz FEEQBXWVIYPSEU-MNOVXSKESA-N 2 2 352.372 3.913 20 0 FHADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000423266939 943466584 /nfs/dbraw/zinc/46/65/84/943466584.db2.gz DLECOICOPJUFKT-VBKZILBWSA-N 2 2 362.901 3.892 20 0 FHADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316982 943473948 /nfs/dbraw/zinc/47/39/48/943473948.db2.gz BWDFSPQGDHCIQY-ZJUUUORDSA-N 2 2 354.317 3.879 20 0 FHADLP CCC[NH2+]CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423295459 943475246 /nfs/dbraw/zinc/47/52/46/943475246.db2.gz AMMNVIXGHBCIIS-KRWDZBQOSA-N 2 2 355.320 3.506 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000423344418 943478004 /nfs/dbraw/zinc/47/80/04/943478004.db2.gz WUGYWGVXRZAPEJ-SXLOBPIMSA-N 2 2 354.519 3.967 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)c2ccccc2N(C)C)cc1 ZINC000423346050 943478556 /nfs/dbraw/zinc/47/85/56/943478556.db2.gz YHPHUVHSOGBWBJ-ORYQWCPZSA-N 2 2 353.510 3.558 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000423347242 943479462 /nfs/dbraw/zinc/47/94/62/943479462.db2.gz ZYEHZMYHKJTWRP-YPVJZLTNSA-N 2 2 354.494 3.507 20 0 FHADLP Cn1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccc(Cl)cc2)n1 ZINC000423364594 943492575 /nfs/dbraw/zinc/49/25/75/943492575.db2.gz AXADAAXUAHBAGE-HXUWFJFHSA-N 2 2 352.869 3.556 20 0 FHADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000423370655 943494295 /nfs/dbraw/zinc/49/42/95/943494295.db2.gz PQWPRSQXCYFMSZ-FPSMJMQUSA-N 2 2 358.432 3.791 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000423427890 943507496 /nfs/dbraw/zinc/50/74/96/943507496.db2.gz OBXJRWANVHIIGR-VGSWGCGISA-N 2 2 354.494 3.781 20 0 FHADLP COC[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430024 943516755 /nfs/dbraw/zinc/51/67/55/943516755.db2.gz PGHLNTMTYMNTFS-LAUBAEHRSA-N 2 2 371.550 3.854 20 0 FHADLP Clc1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492229 943536176 /nfs/dbraw/zinc/53/61/76/943536176.db2.gz MGKDXGSVKPQYNB-XJKSGUPXSA-N 2 2 373.722 3.522 20 0 FHADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Cl ZINC000423493428 943536263 /nfs/dbraw/zinc/53/62/63/943536263.db2.gz QAMROJCFRRBDOA-IUODEOHRSA-N 2 2 361.711 3.522 20 0 FHADLP CC(C)n1c[nH+]cc1CNc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000424137483 943747698 /nfs/dbraw/zinc/74/76/98/943747698.db2.gz ASVXJDYTAJFDKR-UHFFFAOYSA-N 2 2 369.513 3.891 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000515327534 943791794 /nfs/dbraw/zinc/79/17/94/943791794.db2.gz WTVDRODXQRYDCS-AVRDEDQJSA-N 2 2 366.505 3.736 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1nnc2n1CCCCC2 ZINC000660266624 943836010 /nfs/dbraw/zinc/83/60/10/943836010.db2.gz VLKUNFXYDRHQTE-GOSISDBHSA-N 2 2 367.541 3.841 20 0 FHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000424329525 943846261 /nfs/dbraw/zinc/84/62/61/943846261.db2.gz GTNJXSVMVSLIBB-IAGOWNOFSA-N 2 2 355.507 3.636 20 0 FHADLP COc1cccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N(C)C)c1 ZINC000072726740 943986260 /nfs/dbraw/zinc/98/62/60/943986260.db2.gz DQDMTVYOKMRDMV-QHCPKHFHSA-N 2 2 367.537 3.552 20 0 FHADLP COc1ccccc1N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000147295401 943994765 /nfs/dbraw/zinc/99/47/65/943994765.db2.gz QACJVWGKBUAVKC-UHFFFAOYSA-N 2 2 362.477 3.640 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000417989764 944038855 /nfs/dbraw/zinc/03/88/55/944038855.db2.gz JQHHTBATQHUULI-HSZRJFAPSA-N 2 2 365.521 3.533 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000417989764 944038861 /nfs/dbraw/zinc/03/88/61/944038861.db2.gz JQHHTBATQHUULI-HSZRJFAPSA-N 2 2 365.521 3.533 20 0 FHADLP C[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(F)cc1 ZINC000437696977 944041153 /nfs/dbraw/zinc/04/11/53/944041153.db2.gz WICDDQRGCNTMFY-SFHVURJKSA-N 2 2 355.501 3.963 20 0 FHADLP C[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(F)cc1 ZINC000437696977 944041160 /nfs/dbraw/zinc/04/11/60/944041160.db2.gz WICDDQRGCNTMFY-SFHVURJKSA-N 2 2 355.501 3.963 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000364230804 944113314 /nfs/dbraw/zinc/11/33/14/944113314.db2.gz VSGBCGJCCXVOHS-DOTOQJQBSA-N 2 2 366.469 3.850 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000364230804 944113319 /nfs/dbraw/zinc/11/33/19/944113319.db2.gz VSGBCGJCCXVOHS-DOTOQJQBSA-N 2 2 366.469 3.850 20 0 FHADLP c1ccc([C@@H]2CC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000436273552 944171074 /nfs/dbraw/zinc/17/10/74/944171074.db2.gz VVVOECDYZIPWNG-DHIUTWEWSA-N 2 2 350.506 3.945 20 0 FHADLP CSc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312970 944192176 /nfs/dbraw/zinc/19/21/76/944192176.db2.gz KYPKJOJPKBIYHC-DYESRHJHSA-N 2 2 355.551 3.846 20 0 FHADLP CSc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000436312970 944192179 /nfs/dbraw/zinc/19/21/79/944192179.db2.gz KYPKJOJPKBIYHC-DYESRHJHSA-N 2 2 355.551 3.846 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000436341423 944217651 /nfs/dbraw/zinc/21/76/51/944217651.db2.gz VPBNMZXTADZFPX-SFHVURJKSA-N 2 2 355.486 3.561 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@@H]3CCC[N@H+]3C3CCCCC3)ccc2[nH+]1 ZINC000436341423 944217658 /nfs/dbraw/zinc/21/76/58/944217658.db2.gz VPBNMZXTADZFPX-SFHVURJKSA-N 2 2 355.486 3.561 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000439078927 944310217 /nfs/dbraw/zinc/31/02/17/944310217.db2.gz PPVHKNBSWIJINC-OAHLLOKOSA-N 2 2 364.449 3.690 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322012 /nfs/dbraw/zinc/32/20/12/944322012.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322016 /nfs/dbraw/zinc/32/20/16/944322016.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322020 /nfs/dbraw/zinc/32/20/20/944322020.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483932 944322023 /nfs/dbraw/zinc/32/20/23/944322023.db2.gz CXCDAOSXDLZCNV-AABGKKOBSA-N 2 2 351.579 3.607 20 0 FHADLP c1cn(-c2ccc(C[NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)cc2)c[nH+]1 ZINC000121165036 944329572 /nfs/dbraw/zinc/32/95/72/944329572.db2.gz BQHCHKBZEDDIGU-JOCHJYFZSA-N 2 2 361.445 3.884 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530361 944384897 /nfs/dbraw/zinc/38/48/97/944384897.db2.gz DNNYIMSFBNNCJP-SFHVURJKSA-N 2 2 362.468 3.539 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530361 944384904 /nfs/dbraw/zinc/38/49/04/944384904.db2.gz DNNYIMSFBNNCJP-SFHVURJKSA-N 2 2 362.468 3.539 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nc(N2CCCC2)n1 ZINC000426323335 944455828 /nfs/dbraw/zinc/45/58/28/944455828.db2.gz MCLOVBHIGAXIPB-UWJYYQICSA-N 2 2 371.573 3.518 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981951 944492492 /nfs/dbraw/zinc/49/24/92/944492492.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981951 944492494 /nfs/dbraw/zinc/49/24/94/944492494.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981951 944492496 /nfs/dbraw/zinc/49/24/96/944492496.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981951 944492499 /nfs/dbraw/zinc/49/24/99/944492499.db2.gz QNORFYOGJVHWIB-CTSMQSTOSA-N 3 2 367.581 3.892 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1C ZINC000638502856 944507975 /nfs/dbraw/zinc/50/79/75/944507975.db2.gz DPPUEBWDXXVHJJ-SIKLNZKXSA-N 2 2 352.526 3.978 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1C ZINC000638502856 944507980 /nfs/dbraw/zinc/50/79/80/944507980.db2.gz DPPUEBWDXXVHJJ-SIKLNZKXSA-N 2 2 352.526 3.978 20 0 FHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000517785784 944627025 /nfs/dbraw/zinc/62/70/25/944627025.db2.gz CJMMLVKTDRFOPG-SFHVURJKSA-N 2 2 363.509 3.599 20 0 FHADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000517785783 944627100 /nfs/dbraw/zinc/62/71/00/944627100.db2.gz CJMMLVKTDRFOPG-GOSISDBHSA-N 2 2 363.509 3.599 20 0 FHADLP COC(=O)C1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000426026453 944662711 /nfs/dbraw/zinc/66/27/11/944662711.db2.gz ZXDDJKLSILHTMJ-AFMYVXGZSA-N 2 2 355.482 3.563 20 0 FHADLP O=C(CC[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(Cl)cc1 ZINC000518718605 944665398 /nfs/dbraw/zinc/66/53/98/944665398.db2.gz YSBFBUHIDPSGSZ-UHFFFAOYSA-N 2 2 358.873 3.640 20 0 FHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390678327 944692890 /nfs/dbraw/zinc/69/28/90/944692890.db2.gz UZLMBVMWJQNDFW-XVAXZDLZSA-N 2 2 368.496 3.952 20 0 FHADLP Fc1ccccc1C1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000390678327 944692896 /nfs/dbraw/zinc/69/28/96/944692896.db2.gz UZLMBVMWJQNDFW-XVAXZDLZSA-N 2 2 368.496 3.952 20 0 FHADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020847 944713345 /nfs/dbraw/zinc/71/33/45/944713345.db2.gz YLGXSMGMYIDDBT-JTHBVZDNSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020847 944713350 /nfs/dbraw/zinc/71/33/50/944713350.db2.gz YLGXSMGMYIDDBT-JTHBVZDNSA-N 2 2 350.506 3.863 20 0 FHADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000426043927 944720659 /nfs/dbraw/zinc/72/06/59/944720659.db2.gz JUVNSDJTZPZPHM-RTBURBONSA-N 2 2 352.869 3.820 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1O ZINC000426425349 944757981 /nfs/dbraw/zinc/75/79/81/944757981.db2.gz PJPPIOKCUMYKKN-HNNXBMFYSA-N 2 2 369.440 3.837 20 0 FHADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000414941247 944910863 /nfs/dbraw/zinc/91/08/63/944910863.db2.gz LGLZUIANEOMDKN-IAQYHMDHSA-N 2 2 355.429 3.917 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000516603061 945047193 /nfs/dbraw/zinc/04/71/93/945047193.db2.gz LSWAKFTYYHFDOL-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Br)c2)C1 ZINC000516603061 945047201 /nfs/dbraw/zinc/04/72/01/945047201.db2.gz LSWAKFTYYHFDOL-LBPRGKRZSA-N 2 2 354.679 3.826 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000651647162 945530413 /nfs/dbraw/zinc/53/04/13/945530413.db2.gz DCJURWKWTSPRAA-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000651647162 945530417 /nfs/dbraw/zinc/53/04/17/945530417.db2.gz DCJURWKWTSPRAA-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000651647162 945530419 /nfs/dbraw/zinc/53/04/19/945530419.db2.gz DCJURWKWTSPRAA-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2cccc(C)c2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000651647162 945530422 /nfs/dbraw/zinc/53/04/22/945530422.db2.gz DCJURWKWTSPRAA-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP CC(C)c1[nH+]c(CNc2cccc(C[NH+]3CCOCC3)c2)c2ccccn21 ZINC000651658659 945555894 /nfs/dbraw/zinc/55/58/94/945555894.db2.gz CGQWNYNHQKGYPM-UHFFFAOYSA-N 2 2 364.493 3.902 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790522 945742912 /nfs/dbraw/zinc/74/29/12/945742912.db2.gz ONMCSRPGKRBAQN-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790522 945742918 /nfs/dbraw/zinc/74/29/18/945742918.db2.gz ONMCSRPGKRBAQN-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790522 945742924 /nfs/dbraw/zinc/74/29/24/945742924.db2.gz ONMCSRPGKRBAQN-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790522 945742929 /nfs/dbraw/zinc/74/29/29/945742929.db2.gz ONMCSRPGKRBAQN-WBVHZDCISA-N 2 2 352.906 3.663 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000519789876 945744048 /nfs/dbraw/zinc/74/40/48/945744048.db2.gz HEVUCTLRDBGCEJ-UYAOXDASSA-N 2 2 352.526 3.563 20 0 FHADLP Cc1cccnc1C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000519789876 945744052 /nfs/dbraw/zinc/74/40/52/945744052.db2.gz HEVUCTLRDBGCEJ-UYAOXDASSA-N 2 2 352.526 3.563 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(C)c1 ZINC000440641622 945754635 /nfs/dbraw/zinc/75/46/35/945754635.db2.gz VZMJCCVUNJYJET-MRXNPFEDSA-N 2 2 363.387 3.773 20 0 FHADLP Fc1ccc2c(c1Cl)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000651719337 945762031 /nfs/dbraw/zinc/76/20/31/945762031.db2.gz QHEVZZXTFWIXKM-SUMWQHHRSA-N 2 2 352.881 3.557 20 0 FHADLP COc1cc(F)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1OC ZINC000651724776 945787525 /nfs/dbraw/zinc/78/75/25/945787525.db2.gz GIXSNZCFGBKLJF-GOSISDBHSA-N 2 2 369.440 3.650 20 0 FHADLP c1coc(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000661161736 945797066 /nfs/dbraw/zinc/79/70/66/945797066.db2.gz XEPKMZRUCVYDKB-UHFFFAOYSA-N 2 2 353.510 3.671 20 0 FHADLP Brc1c[nH+]ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000281793073 945850580 /nfs/dbraw/zinc/85/05/80/945850580.db2.gz ICHGNWNPHXUEHE-UHFFFAOYSA-N 2 2 361.287 3.761 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000301566346 945851650 /nfs/dbraw/zinc/85/16/50/945851650.db2.gz WHUMMHVMIFKGBR-ICSRJNTNSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000301566346 945851666 /nfs/dbraw/zinc/85/16/66/945851666.db2.gz WHUMMHVMIFKGBR-ICSRJNTNSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301566346 945851682 /nfs/dbraw/zinc/85/16/82/945851682.db2.gz WHUMMHVMIFKGBR-ICSRJNTNSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301566346 945851701 /nfs/dbraw/zinc/85/17/01/945851701.db2.gz WHUMMHVMIFKGBR-ICSRJNTNSA-N 2 2 365.525 3.932 20 0 FHADLP Cc1cc(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000301673553 945907087 /nfs/dbraw/zinc/90/70/87/945907087.db2.gz ZYWUJJRZQJUACU-KRWDZBQOSA-N 2 2 354.498 3.741 20 0 FHADLP Cc1cc(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nc(C(C)C)[nH+]1 ZINC000301673553 945907096 /nfs/dbraw/zinc/90/70/96/945907096.db2.gz ZYWUJJRZQJUACU-KRWDZBQOSA-N 2 2 354.498 3.741 20 0 FHADLP COc1cc(OC)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000651789680 945924490 /nfs/dbraw/zinc/92/44/90/945924490.db2.gz VKOFFZPRUOJKIN-UHFFFAOYSA-N 2 2 373.472 3.755 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000301707583 945925692 /nfs/dbraw/zinc/92/56/92/945925692.db2.gz JBIHKGZIUWVUEG-UZLBHIALSA-N 2 2 367.493 3.640 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000301707583 945925701 /nfs/dbraw/zinc/92/57/01/945925701.db2.gz JBIHKGZIUWVUEG-UZLBHIALSA-N 2 2 367.493 3.640 20 0 FHADLP COCCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1 ZINC000281913086 945928350 /nfs/dbraw/zinc/92/83/50/945928350.db2.gz IXIPVAPFBVKUTH-FQEVSTJZSA-N 2 2 368.456 3.972 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301802762 945973414 /nfs/dbraw/zinc/97/34/14/945973414.db2.gz UCNJWDOGNBCLNP-CHWSQXEVSA-N 2 2 353.388 3.775 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189200 946051827 /nfs/dbraw/zinc/05/18/27/946051827.db2.gz FQGUBUGISKTQBL-IRFCIJBXSA-N 2 2 371.569 3.623 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189200 946051842 /nfs/dbraw/zinc/05/18/42/946051842.db2.gz FQGUBUGISKTQBL-IRFCIJBXSA-N 2 2 371.569 3.623 20 0 FHADLP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076415 946109992 /nfs/dbraw/zinc/10/99/92/946109992.db2.gz HKBVQFFTDXOSFJ-PZJWPPBQSA-N 2 2 350.510 3.838 20 0 FHADLP CCc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076415 946109995 /nfs/dbraw/zinc/10/99/95/946109995.db2.gz HKBVQFFTDXOSFJ-PZJWPPBQSA-N 2 2 350.510 3.838 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000103143118 946250448 /nfs/dbraw/zinc/25/04/48/946250448.db2.gz SMEUPLPVNHZKKF-UHFFFAOYSA-N 2 2 369.484 3.608 20 0 FHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000103143118 946250457 /nfs/dbraw/zinc/25/04/57/946250457.db2.gz SMEUPLPVNHZKKF-UHFFFAOYSA-N 2 2 369.484 3.608 20 0 FHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(C[NH+](C)C)c3)cn2c1 ZINC000042721160 946302100 /nfs/dbraw/zinc/30/21/00/946302100.db2.gz BDRJJZHJAROWEG-UHFFFAOYSA-N 2 2 368.506 3.576 20 0 FHADLP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000661647574 946361688 /nfs/dbraw/zinc/36/16/88/946361688.db2.gz KQOJNQDSXZFKPD-QHCPKHFHSA-N 2 2 374.532 3.680 20 0 FHADLP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000661647574 946361697 /nfs/dbraw/zinc/36/16/97/946361697.db2.gz KQOJNQDSXZFKPD-QHCPKHFHSA-N 2 2 374.532 3.680 20 0 FHADLP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000123987281 946385140 /nfs/dbraw/zinc/38/51/40/946385140.db2.gz VRGXHYJXQHSSOZ-UHFFFAOYSA-N 3 2 352.526 3.682 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441365746 946514436 /nfs/dbraw/zinc/51/44/36/946514436.db2.gz QYJRIIBMWYQMMG-PZJWPPBQSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441365746 946514441 /nfs/dbraw/zinc/51/44/41/946514441.db2.gz QYJRIIBMWYQMMG-PZJWPPBQSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441365746 946514444 /nfs/dbraw/zinc/51/44/44/946514444.db2.gz QYJRIIBMWYQMMG-PZJWPPBQSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441365746 946514451 /nfs/dbraw/zinc/51/44/51/946514451.db2.gz QYJRIIBMWYQMMG-PZJWPPBQSA-N 2 2 359.558 3.618 20 0 FHADLP Fc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000475551462 946622465 /nfs/dbraw/zinc/62/24/65/946622465.db2.gz ULJCATIBWLDIET-UHFFFAOYSA-N 2 2 360.395 3.873 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500506 946681252 /nfs/dbraw/zinc/68/12/52/946681252.db2.gz GAKWEAQZLVVARS-MRXNPFEDSA-N 2 2 371.916 3.824 20 0 FHADLP Cc1ccccc1-n1nccc1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000475205102 946702445 /nfs/dbraw/zinc/70/24/45/946702445.db2.gz UUOBURIRLQOKGN-UHFFFAOYSA-N 2 2 362.477 3.928 20 0 FHADLP c1ccc(OCc2ccncc2)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475584499 946752406 /nfs/dbraw/zinc/75/24/06/946752406.db2.gz YZUVMCAKGHYVKI-UHFFFAOYSA-N 2 2 351.494 3.767 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)CC1 ZINC000475333109 946916220 /nfs/dbraw/zinc/91/62/20/946916220.db2.gz SAXMNMZXYAAJEI-PDKVOLLNSA-N 2 2 374.491 3.977 20 0 FHADLP COC(=O)C[N@H+](C1CCCC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168061605 946923727 /nfs/dbraw/zinc/92/37/27/946923727.db2.gz IVTLVUFTEKCUQM-QZTJIDSGSA-N 2 2 358.526 3.846 20 0 FHADLP COC(=O)C[N@@H+](C1CCCC1)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168061605 946923737 /nfs/dbraw/zinc/92/37/37/946923737.db2.gz IVTLVUFTEKCUQM-QZTJIDSGSA-N 2 2 358.526 3.846 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475357068 946938788 /nfs/dbraw/zinc/93/87/88/946938788.db2.gz YGCAPTFFRLHNBD-ZRZAMGCNSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475357068 946938801 /nfs/dbraw/zinc/93/88/01/946938801.db2.gz YGCAPTFFRLHNBD-ZRZAMGCNSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475357068 946938811 /nfs/dbraw/zinc/93/88/11/946938811.db2.gz YGCAPTFFRLHNBD-ZRZAMGCNSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475357068 946938826 /nfs/dbraw/zinc/93/88/26/946938826.db2.gz YGCAPTFFRLHNBD-ZRZAMGCNSA-N 2 2 372.516 3.745 20 0 FHADLP Clc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995714 946981587 /nfs/dbraw/zinc/98/15/87/946981587.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995714 946981595 /nfs/dbraw/zinc/98/15/95/946981595.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167995714 946981601 /nfs/dbraw/zinc/98/16/01/946981601.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167995714 946981604 /nfs/dbraw/zinc/98/16/04/946981604.db2.gz OUDQTIOVWLJZKR-WCRBZPEASA-N 2 2 373.972 3.863 20 0 FHADLP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccn2)cc1 ZINC000655715369 947112108 /nfs/dbraw/zinc/11/21/08/947112108.db2.gz KFHPYEQZKBAONO-FYYLOGMGSA-N 2 2 365.521 3.517 20 0 FHADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCC2 ZINC000192972031 947128400 /nfs/dbraw/zinc/12/84/00/947128400.db2.gz JLXSQMNHHFFHCO-INIZCTEOSA-N 2 2 362.514 3.995 20 0 FHADLP C[C@@H](CC[NH+]1CCC(c2ccon2)CC1)[NH+]1CCC(c2ccon2)CC1 ZINC000662047923 947134552 /nfs/dbraw/zinc/13/45/52/947134552.db2.gz LNUCTUCSYOVJJY-INIZCTEOSA-N 2 2 358.486 3.500 20 0 FHADLP Clc1ccc2c(NC[C@@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301103012 947178333 /nfs/dbraw/zinc/17/83/33/947178333.db2.gz UQZHWKDFCWEXMA-SFHVURJKSA-N 2 2 363.914 3.508 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2ccc(Br)cc12)[C@H](C)[NH+]1CCOCC1 ZINC000301185861 947221418 /nfs/dbraw/zinc/22/14/18/947221418.db2.gz JSBJZDBRPYGRHJ-OLZOCXBDSA-N 2 2 364.287 3.518 20 0 FHADLP c1csc(C[N@H+]2CCC[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000301234857 947244126 /nfs/dbraw/zinc/24/41/26/947244126.db2.gz JTUBFFOGLYEHGU-QGZVFWFLSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@H](CNc3cc(N4CCCCC4)[nH+]cn3)C2)c1 ZINC000301234857 947244141 /nfs/dbraw/zinc/24/41/41/947244141.db2.gz JTUBFFOGLYEHGU-QGZVFWFLSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@H+]2CCC[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000301234857 947244155 /nfs/dbraw/zinc/24/41/55/947244155.db2.gz JTUBFFOGLYEHGU-QGZVFWFLSA-N 2 2 371.554 3.853 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@H](CNc3cc(N4CCCCC4)nc[nH+]3)C2)c1 ZINC000301234857 947244173 /nfs/dbraw/zinc/24/41/73/947244173.db2.gz JTUBFFOGLYEHGU-QGZVFWFLSA-N 2 2 371.554 3.853 20 0 FHADLP C[C@@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188507054 947277228 /nfs/dbraw/zinc/27/72/28/947277228.db2.gz RQEHJZYOOWTXNC-OAHLLOKOSA-N 2 2 366.431 3.797 20 0 FHADLP CC(C)(CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCOCC1 ZINC000301321062 947283611 /nfs/dbraw/zinc/28/36/11/947283611.db2.gz SOPQKZRZECETKN-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2cc(Br)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301323567 947286151 /nfs/dbraw/zinc/28/61/51/947286151.db2.gz WDTROOHKIRBNGJ-OLZOCXBDSA-N 2 2 364.287 3.518 20 0 FHADLP CCc1cc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000301333527 947290433 /nfs/dbraw/zinc/29/04/33/947290433.db2.gz FJTPPNIXYLNUNE-IYBDPMFKSA-N 2 2 354.498 3.569 20 0 FHADLP CCc1cc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000301333527 947290446 /nfs/dbraw/zinc/29/04/46/947290446.db2.gz FJTPPNIXYLNUNE-IYBDPMFKSA-N 2 2 354.498 3.569 20 0 FHADLP COc1cccc2c(N3CC[NH+]([C@H](C)c4cccnc4)CC3)cc(C)[nH+]c12 ZINC000126176856 947408381 /nfs/dbraw/zinc/40/83/81/947408381.db2.gz ROMLQHCGBIWZAZ-QGZVFWFLSA-N 2 2 362.477 3.830 20 0 FHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441460335 947592191 /nfs/dbraw/zinc/59/21/91/947592191.db2.gz DAHIXHOENLVEGP-OAQYLSRUSA-N 2 2 371.569 3.622 20 0 FHADLP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000441460335 947592192 /nfs/dbraw/zinc/59/21/92/947592192.db2.gz DAHIXHOENLVEGP-OAQYLSRUSA-N 2 2 371.569 3.622 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778703 947600377 /nfs/dbraw/zinc/60/03/77/947600377.db2.gz BVAKXQRLNWMHRK-IRLDBZIGSA-N 2 2 369.553 3.626 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778703 947600387 /nfs/dbraw/zinc/60/03/87/947600387.db2.gz BVAKXQRLNWMHRK-IRLDBZIGSA-N 2 2 369.553 3.626 20 0 FHADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1Cl ZINC000662290187 947710938 /nfs/dbraw/zinc/71/09/38/947710938.db2.gz MMJAJOHMMCNPDR-AWEZNQCLSA-N 2 2 370.324 3.644 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290767 947712775 /nfs/dbraw/zinc/71/27/75/947712775.db2.gz JTMCIONAVLLZTH-ZFWWWQNUSA-N 2 2 367.896 3.518 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290764 947713520 /nfs/dbraw/zinc/71/35/20/947713520.db2.gz JTMCIONAVLLZTH-DZGCQCFKSA-N 2 2 367.896 3.518 20 0 FHADLP CCCc1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cs1 ZINC000662327734 947758578 /nfs/dbraw/zinc/75/85/78/947758578.db2.gz UKCIZLDKMZXVRC-UHFFFAOYSA-N 2 2 373.570 3.665 20 0 FHADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663346516 947816190 /nfs/dbraw/zinc/81/61/90/947816190.db2.gz SUYHSNVMEXTIJT-HNNXBMFYSA-N 2 2 367.331 3.669 20 0 FHADLP COc1ccc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663346516 947816193 /nfs/dbraw/zinc/81/61/93/947816193.db2.gz SUYHSNVMEXTIJT-HNNXBMFYSA-N 2 2 367.331 3.669 20 0 FHADLP Fc1ccc(C(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)cc1 ZINC000500444738 948014430 /nfs/dbraw/zinc/01/44/30/948014430.db2.gz BTNAGKLEZFMLER-LJQANCHMSA-N 2 2 353.416 3.898 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467819 948054487 /nfs/dbraw/zinc/05/44/87/948054487.db2.gz IBECXWAMGYWUQD-ZBFHGGJFSA-N 2 2 360.933 3.999 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467819 948054494 /nfs/dbraw/zinc/05/44/94/948054494.db2.gz IBECXWAMGYWUQD-ZBFHGGJFSA-N 2 2 360.933 3.999 20 0 FHADLP c1cn2c(n1)[C@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCc1ccccc1-2 ZINC000663472383 948067425 /nfs/dbraw/zinc/06/74/25/948067425.db2.gz QLSPOURJMMLTER-LJQANCHMSA-N 2 2 359.477 3.513 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H](c3cccnc3)C3CCC3)[nH+]c2)CC1 ZINC000280818691 948115625 /nfs/dbraw/zinc/11/56/25/948115625.db2.gz JWVOOHJYKMMEFM-JOCHJYFZSA-N 2 2 365.525 3.960 20 0 FHADLP Brc1cccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CCOCC2)c1 ZINC000643502683 948133930 /nfs/dbraw/zinc/13/39/30/948133930.db2.gz NXTWTKYHACLIDX-MSOLQXFVSA-N 2 2 367.331 3.649 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)F ZINC000925786173 948164236 /nfs/dbraw/zinc/16/42/36/948164236.db2.gz WLTJJNJDEYZYMA-VHSXEESVSA-N 2 2 354.775 3.837 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000512017334 948199748 /nfs/dbraw/zinc/19/97/48/948199748.db2.gz VGGNLAJIIRMZRJ-FOIQADDNSA-N 2 2 360.523 3.938 20 0 FHADLP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045627 948296322 /nfs/dbraw/zinc/29/63/22/948296322.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 3 2 372.582 3.595 20 0 FHADLP C[C@@H]1C[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@H+]1Cc1ccccc1 ZINC000512045627 948296328 /nfs/dbraw/zinc/29/63/28/948296328.db2.gz NUMPEZXBHRXQRQ-MJGOQNOKSA-N 3 2 372.582 3.595 20 0 FHADLP Cc1nn(-c2cc(C)ccc2C)c(Cl)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000061003061 948326778 /nfs/dbraw/zinc/32/67/78/948326778.db2.gz VKWJEWIAPMHMAT-UHFFFAOYSA-N 2 2 357.889 3.827 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](COc2ccccc2F)C(C)(C)C)s1 ZINC000512070470 948354613 /nfs/dbraw/zinc/35/46/13/948354613.db2.gz FYHKRTSKUYOPJT-QGZVFWFLSA-N 2 2 365.518 3.927 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420722 948375457 /nfs/dbraw/zinc/37/54/57/948375457.db2.gz LVYHTURQYTXECT-CZOVOBHWSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420722 948375464 /nfs/dbraw/zinc/37/54/64/948375464.db2.gz LVYHTURQYTXECT-CZOVOBHWSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420723 948375979 /nfs/dbraw/zinc/37/59/79/948375979.db2.gz LVYHTURQYTXECT-QUWFBVPJSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC1CC(OC(C)(C)C)C1 ZINC000432420723 948375983 /nfs/dbraw/zinc/37/59/83/948375983.db2.gz LVYHTURQYTXECT-QUWFBVPJSA-N 2 2 359.558 3.865 20 0 FHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000512089410 948394346 /nfs/dbraw/zinc/39/43/46/948394346.db2.gz RWAOUNCLHQIBDA-GFCCVEGCSA-N 2 2 373.444 3.997 20 0 FHADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(OC(F)(F)F)cc1 ZINC000512114618 948456224 /nfs/dbraw/zinc/45/62/24/948456224.db2.gz HTLYLNVSAGVSNZ-LLVKDONJSA-N 2 2 359.417 3.954 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cncc(Br)c2)c2cccc[nH+]2)CC1 ZINC000895110143 948631918 /nfs/dbraw/zinc/63/19/18/948631918.db2.gz ATYYEEDONMNIEB-WKILWMFISA-N 2 2 361.287 3.516 20 0 FHADLP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001168007985 948691486 /nfs/dbraw/zinc/69/14/86/948691486.db2.gz VXYUPBPVHDMHMZ-MRCBEBMISA-N 2 2 371.544 3.910 20 0 FHADLP C[C@H](c1ccc(F)cc1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001168007985 948691490 /nfs/dbraw/zinc/69/14/90/948691490.db2.gz VXYUPBPVHDMHMZ-MRCBEBMISA-N 2 2 371.544 3.910 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663713788 948780137 /nfs/dbraw/zinc/78/01/37/948780137.db2.gz GAKFKTMDWYAAFJ-WMLDXEAASA-N 2 2 352.438 3.536 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc4c(c3)CC(C)(C)O4)[nH+]c2)C1 ZINC000532993429 517243172 /nfs/dbraw/zinc/24/31/72/517243172.db2.gz JASKBSIPRVUAGP-IBGZPJMESA-N 2 2 366.509 3.548 20 0 FHADLP O=C(CCn1c2ccccc2[nH+]c1C1CC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000539843587 518171426 /nfs/dbraw/zinc/17/14/26/518171426.db2.gz GPOHJEZHVXCMOV-UHFFFAOYSA-N 2 2 372.432 3.523 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262193161 523524154 /nfs/dbraw/zinc/52/41/54/523524154.db2.gz YXXWJEFSSRKDJP-GOSISDBHSA-N 2 2 358.917 3.701 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262193161 523524168 /nfs/dbraw/zinc/52/41/68/523524168.db2.gz YXXWJEFSSRKDJP-GOSISDBHSA-N 2 2 358.917 3.701 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cccn2Cc2cccs2)cn1 ZINC000161721319 567962231 /nfs/dbraw/zinc/96/22/31/567962231.db2.gz YQMYBIZUFMDLLL-UHFFFAOYSA-N 2 2 363.490 3.777 20 0 FHADLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ncc(Br)cc1F ZINC000186947378 568021511 /nfs/dbraw/zinc/02/15/11/568021511.db2.gz IEKQJHMJQGUKJK-ZDUSSCGKSA-N 2 2 358.299 3.756 20 0 FHADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603516734 568111728 /nfs/dbraw/zinc/11/17/28/568111728.db2.gz CHZRFDGWXKAXFS-OAQYLSRUSA-N 2 2 358.526 3.741 20 0 FHADLP c1ccc(OC2CCCC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603516707 568111731 /nfs/dbraw/zinc/11/17/31/568111731.db2.gz CHZRFDGWXKAXFS-NRFANRHFSA-N 2 2 358.526 3.741 20 0 FHADLP CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603874147 568174649 /nfs/dbraw/zinc/17/46/49/568174649.db2.gz YGIMFYPNRVMIDW-FPOVZHCZSA-N 2 2 363.590 3.610 20 0 FHADLP CC[C@@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603874147 568174650 /nfs/dbraw/zinc/17/46/50/568174650.db2.gz YGIMFYPNRVMIDW-FPOVZHCZSA-N 2 2 363.590 3.610 20 0 FHADLP C[C@H](NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000603898883 568179429 /nfs/dbraw/zinc/17/94/29/568179429.db2.gz JSYCXTUFOSVVJM-AWEZNQCLSA-N 2 2 373.884 3.987 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604069274 568206065 /nfs/dbraw/zinc/20/60/65/568206065.db2.gz NZNBKKZSQPFAQW-HSZRJFAPSA-N 2 2 360.505 3.935 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604069274 568206066 /nfs/dbraw/zinc/20/60/66/568206066.db2.gz NZNBKKZSQPFAQW-HSZRJFAPSA-N 2 2 360.505 3.935 20 0 FHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cc(C)on1 ZINC000071114579 568223076 /nfs/dbraw/zinc/22/30/76/568223076.db2.gz UWDBGCLAWDFDTQ-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(C)on1 ZINC000071114579 568223077 /nfs/dbraw/zinc/22/30/77/568223077.db2.gz UWDBGCLAWDFDTQ-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ncc(Br)cc1F ZINC000187033344 568227155 /nfs/dbraw/zinc/22/71/55/568227155.db2.gz NTQOCWRWCBRQRE-QWHCGFSZSA-N 2 2 358.299 3.756 20 0 FHADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242035 568241889 /nfs/dbraw/zinc/24/18/89/568241889.db2.gz RTEGDLVZBVLFOH-PKOBYXMFSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc(C)[nH+]1 ZINC000643242035 568241890 /nfs/dbraw/zinc/24/18/90/568241890.db2.gz RTEGDLVZBVLFOH-PKOBYXMFSA-N 2 2 372.538 3.642 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)c2cc1C ZINC000604392982 568283015 /nfs/dbraw/zinc/28/30/15/568283015.db2.gz PGSDYJSXSOKWIP-SESVDKBCSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H](c4ccccc4)C[C@@H]3C)c2cc1C ZINC000604392982 568283017 /nfs/dbraw/zinc/28/30/17/568283017.db2.gz PGSDYJSXSOKWIP-SESVDKBCSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000365234547 568345132 /nfs/dbraw/zinc/34/51/32/568345132.db2.gz OIHFMBAKYHVJES-FQEVSTJZSA-N 2 2 364.497 3.765 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1nncn1CC(C)C ZINC000365234547 568345133 /nfs/dbraw/zinc/34/51/33/568345133.db2.gz OIHFMBAKYHVJES-FQEVSTJZSA-N 2 2 364.497 3.765 20 0 FHADLP C[NH+](C)CC[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)C(C)(C)C ZINC000604773201 568363693 /nfs/dbraw/zinc/36/36/93/568363693.db2.gz KNBYZSJAPOMXCJ-WOJBJXKFSA-N 2 2 359.558 3.696 20 0 FHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000604756982 568365114 /nfs/dbraw/zinc/36/51/14/568365114.db2.gz PZEKBJDDPSIKSR-INIZCTEOSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)nc(C2CC2)[nH+]1 ZINC000604756982 568365115 /nfs/dbraw/zinc/36/51/15/568365115.db2.gz PZEKBJDDPSIKSR-INIZCTEOSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000604757052 568365191 /nfs/dbraw/zinc/36/51/91/568365191.db2.gz YOVXVSYQADCMKZ-UHFFFAOYSA-N 2 2 350.510 3.807 20 0 FHADLP Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000604757052 568365192 /nfs/dbraw/zinc/36/51/92/568365192.db2.gz YOVXVSYQADCMKZ-UHFFFAOYSA-N 2 2 350.510 3.807 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165654 568594175 /nfs/dbraw/zinc/59/41/75/568594175.db2.gz ONNPWCBJQXWQRG-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165654 568594177 /nfs/dbraw/zinc/59/41/77/568594177.db2.gz ONNPWCBJQXWQRG-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP CCc1nc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)cc(C)[nH+]1 ZINC001164692030 719813823 /nfs/dbraw/zinc/81/38/23/719813823.db2.gz KVZVMKIESCZMGQ-UHFFFAOYSA-N 2 2 371.554 3.747 20 0 FHADLP CCc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)cc(C)[nH+]1 ZINC001164692030 719813824 /nfs/dbraw/zinc/81/38/24/719813824.db2.gz KVZVMKIESCZMGQ-UHFFFAOYSA-N 2 2 371.554 3.747 20 0 FHADLP c1csc(C[N@@H+]2CCOC3(CCN(c4cccc(C5CC5)[nH+]4)CC3)C2)c1 ZINC001164706834 719906076 /nfs/dbraw/zinc/90/60/76/719906076.db2.gz KXDFIRVIRLGMHI-UHFFFAOYSA-N 2 2 369.534 3.892 20 0 FHADLP c1csc(C[N@H+]2CCOC3(CCN(c4cccc(C5CC5)[nH+]4)CC3)C2)c1 ZINC001164706834 719906084 /nfs/dbraw/zinc/90/60/84/719906084.db2.gz KXDFIRVIRLGMHI-UHFFFAOYSA-N 2 2 369.534 3.892 20 0 FHADLP CC(C)[N@H+]1[C@@H]2CCN(c3cccc(C4CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839476 720639953 /nfs/dbraw/zinc/63/99/53/720639953.db2.gz NKFAWSZAAAPQEG-SVFBPWRDSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cccc(C4CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839476 720639975 /nfs/dbraw/zinc/63/99/75/720639975.db2.gz NKFAWSZAAAPQEG-SVFBPWRDSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028119 721815988 /nfs/dbraw/zinc/81/59/88/721815988.db2.gz WEWKQUHKIKBWGW-ILZDJORESA-N 2 2 354.473 3.661 20 0 FHADLP Cc1c(F)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028119 721815989 /nfs/dbraw/zinc/81/59/89/721815989.db2.gz WEWKQUHKIKBWGW-ILZDJORESA-N 2 2 354.473 3.661 20 0 FHADLP C[C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc[nH+]2)C1 ZINC001165048111 721977337 /nfs/dbraw/zinc/97/73/37/721977337.db2.gz JALZDDZPWWJNQZ-RTBURBONSA-N 2 2 357.546 3.558 20 0 FHADLP Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC001164955444 722021671 /nfs/dbraw/zinc/02/16/71/722021671.db2.gz HBLGECSOSXJIEI-UHFFFAOYSA-N 2 2 365.525 3.796 20 0 FHADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(C(C)C)[nH+]1 ZINC001164955444 722021676 /nfs/dbraw/zinc/02/16/76/722021676.db2.gz HBLGECSOSXJIEI-UHFFFAOYSA-N 2 2 365.525 3.796 20 0 FHADLP CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000683079511 927098703 /nfs/dbraw/zinc/09/87/03/927098703.db2.gz PUHATXHVPFITMI-SJORKVTESA-N 2 2 371.529 3.644 20 0 FHADLP C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000579749323 927284456 /nfs/dbraw/zinc/28/44/56/927284456.db2.gz QMWIEUWBRAEQNL-AOMKIAJQSA-N 2 2 354.469 3.944 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146808 927318456 /nfs/dbraw/zinc/31/84/56/927318456.db2.gz MKIFSHIQZVSVNR-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146808 927318476 /nfs/dbraw/zinc/31/84/76/927318476.db2.gz MKIFSHIQZVSVNR-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146808 927318487 /nfs/dbraw/zinc/31/84/87/927318487.db2.gz MKIFSHIQZVSVNR-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146808 927318498 /nfs/dbraw/zinc/31/84/98/927318498.db2.gz MKIFSHIQZVSVNR-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000579773959 927376553 /nfs/dbraw/zinc/37/65/53/927376553.db2.gz WQUXPBBMQHHBEL-IIBYNOLFSA-N 2 2 364.493 3.670 20 0 FHADLP C[C@@H](CC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC000650678491 937229889 /nfs/dbraw/zinc/22/98/89/937229889.db2.gz FTEXUFRVEPOTEE-INIZCTEOSA-N 2 2 358.511 3.661 20 0 FHADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000161601552 937266335 /nfs/dbraw/zinc/26/63/35/937266335.db2.gz FOMPZCSZPNWQHX-INIZCTEOSA-N 2 2 365.949 3.702 20 0 FHADLP CCc1ccc(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000471187243 928746864 /nfs/dbraw/zinc/74/68/64/928746864.db2.gz QSYGUJAIAAHKGG-UHFFFAOYSA-N 2 2 351.538 3.825 20 0 FHADLP CCc1ccc(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000471187243 928746869 /nfs/dbraw/zinc/74/68/69/928746869.db2.gz QSYGUJAIAAHKGG-UHFFFAOYSA-N 2 2 351.538 3.825 20 0 FHADLP C[N@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CCn1cc[nH+]c1 ZINC000179460722 928769142 /nfs/dbraw/zinc/76/91/42/928769142.db2.gz IHBCCSHPQZXMQI-UHFFFAOYSA-N 2 2 355.461 3.757 20 0 FHADLP C[N@@H+](CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)CCn1cc[nH+]c1 ZINC000179460722 928769148 /nfs/dbraw/zinc/76/91/48/928769148.db2.gz IHBCCSHPQZXMQI-UHFFFAOYSA-N 2 2 355.461 3.757 20 0 FHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000579863825 928833928 /nfs/dbraw/zinc/83/39/28/928833928.db2.gz ZKFWMUXIPCJZQV-QFIPXVFZSA-N 2 2 368.521 3.947 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000657751334 937343921 /nfs/dbraw/zinc/34/39/21/937343921.db2.gz QJKBDWFBCYCOCV-KRWDZBQOSA-N 2 2 358.457 3.737 20 0 FHADLP CC(C[NH+](C)Cc1ccc(Cl)nc1)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000177633920 929731740 /nfs/dbraw/zinc/73/17/40/929731740.db2.gz RBFWKGZFIJVOML-UHFFFAOYSA-N 2 2 367.324 3.983 20 0 FHADLP CC(C[NH+](C)Cc1ccc(Cl)nc1)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000177633920 929731741 /nfs/dbraw/zinc/73/17/41/929731741.db2.gz RBFWKGZFIJVOML-UHFFFAOYSA-N 2 2 367.324 3.983 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000583336626 937356276 /nfs/dbraw/zinc/35/62/76/937356276.db2.gz VUSULDLUNKHBSL-RBUKOAKNSA-N 2 2 370.493 3.638 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000583336626 937356280 /nfs/dbraw/zinc/35/62/80/937356280.db2.gz VUSULDLUNKHBSL-RBUKOAKNSA-N 2 2 370.493 3.638 20 0 FHADLP CN1Cc2ccccc2[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692370 929811287 /nfs/dbraw/zinc/81/12/87/929811287.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 2 361.533 3.958 20 0 FHADLP CN1Cc2ccccc2[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692370 929811291 /nfs/dbraw/zinc/81/12/91/929811291.db2.gz PPWDIUCHOHHUDO-KHUIQGCPSA-N 2 2 361.533 3.958 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089466 930235186 /nfs/dbraw/zinc/23/51/86/930235186.db2.gz FZPBBBLCOATTGJ-QUCCMNQESA-N 2 2 360.461 3.589 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089466 930235189 /nfs/dbraw/zinc/23/51/89/930235189.db2.gz FZPBBBLCOATTGJ-QUCCMNQESA-N 2 2 360.461 3.589 20 0 FHADLP C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000580358703 930568906 /nfs/dbraw/zinc/56/89/06/930568906.db2.gz KXSIKHAINMGMMV-IYBDPMFKSA-N 2 2 366.431 3.891 20 0 FHADLP C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000580358703 930568912 /nfs/dbraw/zinc/56/89/12/930568912.db2.gz KXSIKHAINMGMMV-IYBDPMFKSA-N 2 2 366.431 3.891 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656249706 930839436 /nfs/dbraw/zinc/83/94/36/930839436.db2.gz APLBVXXRTJTUML-HNNXBMFYSA-N 2 2 355.873 3.937 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000656249706 930839445 /nfs/dbraw/zinc/83/94/45/930839445.db2.gz APLBVXXRTJTUML-HNNXBMFYSA-N 2 2 355.873 3.937 20 0 FHADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773830 931134396 /nfs/dbraw/zinc/13/43/96/931134396.db2.gz UFGUVNFSNSIGIW-QFIPXVFZSA-N 3 2 355.570 3.895 20 0 FHADLP CC1CC[NH+](CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580773830 931134402 /nfs/dbraw/zinc/13/44/02/931134402.db2.gz UFGUVNFSNSIGIW-QFIPXVFZSA-N 3 2 355.570 3.895 20 0 FHADLP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090714762 931575749 /nfs/dbraw/zinc/57/57/49/931575749.db2.gz BNWJQJWXKLQGFW-HZPDHXFCSA-N 2 2 358.486 3.684 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000375638691 931703153 /nfs/dbraw/zinc/70/31/53/931703153.db2.gz INBDRJITEWDDML-TZIWHRDSSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375638691 931703158 /nfs/dbraw/zinc/70/31/58/931703158.db2.gz INBDRJITEWDDML-TZIWHRDSSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000375638688 931703195 /nfs/dbraw/zinc/70/31/95/931703195.db2.gz INBDRJITEWDDML-CTNGQTDRSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375638688 931703201 /nfs/dbraw/zinc/70/32/01/931703201.db2.gz INBDRJITEWDDML-CTNGQTDRSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000375638689 931703476 /nfs/dbraw/zinc/70/34/76/931703476.db2.gz INBDRJITEWDDML-FPOVZHCZSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375638689 931703481 /nfs/dbraw/zinc/70/34/81/931703481.db2.gz INBDRJITEWDDML-FPOVZHCZSA-N 2 2 371.550 3.996 20 0 FHADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313361 931816932 /nfs/dbraw/zinc/81/69/32/931816932.db2.gz CLHCCLNLZCKHSM-ROUUACIJSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313361 931816938 /nfs/dbraw/zinc/81/69/38/931816938.db2.gz CLHCCLNLZCKHSM-ROUUACIJSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581313361 931816944 /nfs/dbraw/zinc/81/69/44/931816944.db2.gz CLHCCLNLZCKHSM-ROUUACIJSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581313361 931816950 /nfs/dbraw/zinc/81/69/50/931816950.db2.gz CLHCCLNLZCKHSM-ROUUACIJSA-N 2 2 365.587 3.505 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430565629 931886556 /nfs/dbraw/zinc/88/65/56/931886556.db2.gz QFRWJMNUPGLFFA-INIZCTEOSA-N 2 2 355.482 3.723 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565629 931886560 /nfs/dbraw/zinc/88/65/60/931886560.db2.gz QFRWJMNUPGLFFA-INIZCTEOSA-N 2 2 355.482 3.723 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000430573372 931918698 /nfs/dbraw/zinc/91/86/98/931918698.db2.gz QIFFDLXGALKBTM-FQEVSTJZSA-N 2 2 357.523 3.739 20 0 FHADLP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574922 931922026 /nfs/dbraw/zinc/92/20/26/931922026.db2.gz USTNEYHZKGRVHY-WIYYLYMNSA-N 2 2 373.566 3.567 20 0 FHADLP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574922 931922032 /nfs/dbraw/zinc/92/20/32/931922032.db2.gz USTNEYHZKGRVHY-WIYYLYMNSA-N 2 2 373.566 3.567 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581242 931955420 /nfs/dbraw/zinc/95/54/20/931955420.db2.gz UCLHLPRPIJBJGX-PXNSSMCTSA-N 2 2 353.510 3.986 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000430581242 931955428 /nfs/dbraw/zinc/95/54/28/931955428.db2.gz UCLHLPRPIJBJGX-PXNSSMCTSA-N 2 2 353.510 3.986 20 0 FHADLP FC(F)n1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000581420347 932021832 /nfs/dbraw/zinc/02/18/32/932021832.db2.gz VOCUTFFYBHGBTL-UHFFFAOYSA-N 2 2 360.452 3.766 20 0 FHADLP FC(F)n1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000581420347 932021840 /nfs/dbraw/zinc/02/18/40/932021840.db2.gz VOCUTFFYBHGBTL-UHFFFAOYSA-N 2 2 360.452 3.766 20 0 FHADLP [NH3+]C[C@H]1CCC[N@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608576 932211608 /nfs/dbraw/zinc/21/16/08/932211608.db2.gz DQQFZQFPGQEWIY-GFCCVEGCSA-N 2 2 366.328 3.743 20 0 FHADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)C1 ZINC000430608576 932211613 /nfs/dbraw/zinc/21/16/13/932211613.db2.gz DQQFZQFPGQEWIY-GFCCVEGCSA-N 2 2 366.328 3.743 20 0 FHADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615337 932300630 /nfs/dbraw/zinc/30/06/30/932300630.db2.gz BMIKSSPALSGJLY-NQIIRXRSSA-N 2 2 371.569 3.579 20 0 FHADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000430615337 932300635 /nfs/dbraw/zinc/30/06/35/932300635.db2.gz BMIKSSPALSGJLY-NQIIRXRSSA-N 2 2 371.569 3.579 20 0 FHADLP Cn1c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc2ccccc21 ZINC000656770453 932406782 /nfs/dbraw/zinc/40/67/82/932406782.db2.gz BOEUKSDPZYRSSB-UHFFFAOYSA-N 2 2 363.509 3.716 20 0 FHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1 ZINC000656790446 932427771 /nfs/dbraw/zinc/42/77/71/932427771.db2.gz SRZKQQMTHWLUNJ-VXKWHMMOSA-N 2 2 361.489 3.869 20 0 FHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246578915 932575494 /nfs/dbraw/zinc/57/54/94/932575494.db2.gz CNVXFEDRLOYNIP-MLGOLLRUSA-N 2 2 367.280 3.712 20 0 FHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246578915 932575500 /nfs/dbraw/zinc/57/55/00/932575500.db2.gz CNVXFEDRLOYNIP-MLGOLLRUSA-N 2 2 367.280 3.712 20 0 FHADLP COCCCC1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCC1 ZINC000891839672 933550043 /nfs/dbraw/zinc/55/00/43/933550043.db2.gz JTZWAHFGSUSASJ-UHFFFAOYSA-N 2 2 359.558 3.617 20 0 FHADLP COCCCC1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCC1 ZINC000891839672 933550047 /nfs/dbraw/zinc/55/00/47/933550047.db2.gz JTZWAHFGSUSASJ-UHFFFAOYSA-N 2 2 359.558 3.617 20 0 FHADLP COC(=O)c1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)oc1C ZINC000431085566 933808485 /nfs/dbraw/zinc/80/84/85/933808485.db2.gz KFOQGNROERINMO-JSGCOSHPSA-N 2 2 359.470 3.534 20 0 FHADLP COc1cccc(-c2csc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000891903994 933986475 /nfs/dbraw/zinc/98/64/75/933986475.db2.gz ATRCKQJYKWILMO-MRXNPFEDSA-N 2 2 354.479 3.852 20 0 FHADLP COc1cccc(-c2csc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)n2)c1 ZINC000891903994 933986486 /nfs/dbraw/zinc/98/64/86/933986486.db2.gz ATRCKQJYKWILMO-MRXNPFEDSA-N 2 2 354.479 3.852 20 0 FHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000092560892 934093369 /nfs/dbraw/zinc/09/33/69/934093369.db2.gz DGFOLVGONWABFO-UHFFFAOYSA-N 2 2 369.509 3.922 20 0 FHADLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808439 934416015 /nfs/dbraw/zinc/41/60/15/934416015.db2.gz FXMXDWBHMSWZSR-CTNGQTDRSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808439 934416018 /nfs/dbraw/zinc/41/60/18/934416018.db2.gz FXMXDWBHMSWZSR-CTNGQTDRSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000535808439 934416027 /nfs/dbraw/zinc/41/60/27/934416027.db2.gz FXMXDWBHMSWZSR-CTNGQTDRSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000535808439 934416034 /nfs/dbraw/zinc/41/60/34/934416034.db2.gz FXMXDWBHMSWZSR-CTNGQTDRSA-N 2 2 351.494 3.582 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCOC2(CCSCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000537959806 934870537 /nfs/dbraw/zinc/87/05/37/934870537.db2.gz VMQWFDWSKQYFFP-SJLPKXTDSA-N 2 2 357.523 3.968 20 0 FHADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000548635660 935082322 /nfs/dbraw/zinc/08/23/22/935082322.db2.gz HXBJVHKGXKBCTL-CJNGLKHVSA-N 2 2 368.506 3.989 20 0 FHADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000582065159 935194859 /nfs/dbraw/zinc/19/48/59/935194859.db2.gz BPFIZIDRLGAVIT-UXHICEINSA-N 2 2 371.912 3.602 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665278 935212346 /nfs/dbraw/zinc/21/23/46/935212346.db2.gz XJIAWLBMPGYQNH-WMLDXEAASA-N 2 2 372.900 3.689 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665278 935212350 /nfs/dbraw/zinc/21/23/50/935212350.db2.gz XJIAWLBMPGYQNH-WMLDXEAASA-N 2 2 372.900 3.689 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000582149189 935342227 /nfs/dbraw/zinc/34/22/27/935342227.db2.gz ARQFHQPKACYIRL-GOSISDBHSA-N 2 2 363.889 3.616 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000582149189 935342231 /nfs/dbraw/zinc/34/22/31/935342231.db2.gz ARQFHQPKACYIRL-GOSISDBHSA-N 2 2 363.889 3.616 20 0 FHADLP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)nnn1C1CCC1 ZINC000657359782 935343062 /nfs/dbraw/zinc/34/30/62/935343062.db2.gz OVZVSGNMAMDNLN-UHFFFAOYSA-N 2 2 353.514 3.669 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccn1 ZINC000582191617 935387694 /nfs/dbraw/zinc/38/76/94/935387694.db2.gz DNXZCUJFWBILOR-UWTIGNOOSA-N 2 2 357.420 3.546 20 0 FHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432114385 945104651 /nfs/dbraw/zinc/10/46/51/945104651.db2.gz URYPBCXKGGAZQG-AWEZNQCLSA-N 2 2 353.495 3.522 20 0 FHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432114385 945104657 /nfs/dbraw/zinc/10/46/57/945104657.db2.gz URYPBCXKGGAZQG-AWEZNQCLSA-N 2 2 353.495 3.522 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccccc1 ZINC000427135235 945114945 /nfs/dbraw/zinc/11/49/45/945114945.db2.gz IHIHGHHXUOSZFC-RTWAWAEBSA-N 2 2 366.505 3.848 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccccc1 ZINC000427135235 945114951 /nfs/dbraw/zinc/11/49/51/945114951.db2.gz IHIHGHHXUOSZFC-RTWAWAEBSA-N 2 2 366.505 3.848 20 0 FHADLP CC[NH2+]Cc1ccccc1NC(=O)CSCc1cn2cc(C)ccc2[nH+]1 ZINC000237051345 935666165 /nfs/dbraw/zinc/66/61/65/935666165.db2.gz UEGAEUULMNFOFB-UHFFFAOYSA-N 2 2 368.506 3.624 20 0 FHADLP Cc1cc(NCc2ccnn2-c2cc[nH+]cc2)c[nH+]c1N1CCCC[C@H]1C ZINC000657428856 935700371 /nfs/dbraw/zinc/70/03/71/935700371.db2.gz CCXWSBKLIXJPOA-QGZVFWFLSA-N 2 2 362.481 3.962 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431428279 935780465 /nfs/dbraw/zinc/78/04/65/935780465.db2.gz STLDQVJARBWZSY-CQSZACIVSA-N 2 2 358.486 3.520 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431428279 935780467 /nfs/dbraw/zinc/78/04/67/935780467.db2.gz STLDQVJARBWZSY-CQSZACIVSA-N 2 2 358.486 3.520 20 0 FHADLP CC1(C)C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000684931805 935859841 /nfs/dbraw/zinc/85/98/41/935859841.db2.gz FKOHTSRUDBPMLD-IBGZPJMESA-N 2 2 370.566 3.755 20 0 FHADLP CC1(C)C[C@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000684931805 935859842 /nfs/dbraw/zinc/85/98/42/935859842.db2.gz FKOHTSRUDBPMLD-IBGZPJMESA-N 2 2 370.566 3.755 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@H]3CCCc4cccnc43)CC2)c1 ZINC000684953230 935898360 /nfs/dbraw/zinc/89/83/60/935898360.db2.gz FFMSQUCEKGXDJW-QFIPXVFZSA-N 2 2 364.537 3.569 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000582704097 935965319 /nfs/dbraw/zinc/96/53/19/935965319.db2.gz JYDFEHHRVIXRKM-KXBFYZLASA-N 2 2 352.482 3.649 20 0 FHADLP Cc1cc(C)c(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)[nH+]1 ZINC000582704097 935965320 /nfs/dbraw/zinc/96/53/20/935965320.db2.gz JYDFEHHRVIXRKM-KXBFYZLASA-N 2 2 352.482 3.649 20 0 FHADLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000075799827 936019831 /nfs/dbraw/zinc/01/98/31/936019831.db2.gz FEPQUOSLZSUNES-UHFFFAOYSA-N 2 2 354.494 3.501 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000075799849 936019869 /nfs/dbraw/zinc/01/98/69/936019869.db2.gz BPDWOQFWUVBHFL-UHFFFAOYSA-N 2 2 374.532 3.977 20 0 FHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000077980419 936060955 /nfs/dbraw/zinc/06/09/55/936060955.db2.gz FQFPWPHELMNXLZ-OAQYLSRUSA-N 2 2 366.509 3.527 20 0 FHADLP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000077980419 936060959 /nfs/dbraw/zinc/06/09/59/936060959.db2.gz FQFPWPHELMNXLZ-OAQYLSRUSA-N 2 2 366.509 3.527 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657587647 936066815 /nfs/dbraw/zinc/06/68/15/936066815.db2.gz ZDARINVSBPLYME-LJQANCHMSA-N 2 2 366.505 3.991 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657587647 936066818 /nfs/dbraw/zinc/06/68/18/936066818.db2.gz ZDARINVSBPLYME-LJQANCHMSA-N 2 2 366.505 3.991 20 0 FHADLP CNc1ccc(N(c2cc(OC)cc3cccnc32)[C@H](C)CCC[NH3+])c[nH+]1 ZINC001167616484 936121244 /nfs/dbraw/zinc/12/12/44/936121244.db2.gz YPVULDILJRZWCJ-OAHLLOKOSA-N 2 2 365.481 3.946 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631673 938300542 /nfs/dbraw/zinc/30/05/42/938300542.db2.gz GUAOZYHAZQOPNR-UNMCSNQZSA-N 3 2 355.501 3.812 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631673 938300545 /nfs/dbraw/zinc/30/05/45/938300545.db2.gz GUAOZYHAZQOPNR-UNMCSNQZSA-N 3 2 355.501 3.812 20 0 FHADLP CN1CC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1c1ccccc1 ZINC000569631673 938300547 /nfs/dbraw/zinc/30/05/47/938300547.db2.gz GUAOZYHAZQOPNR-UNMCSNQZSA-N 2 2 355.501 3.812 20 0 FHADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564629 938306413 /nfs/dbraw/zinc/30/64/13/938306413.db2.gz ZOZQSXZXUCUFNJ-IBGZPJMESA-N 2 2 366.553 3.832 20 0 FHADLP CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564629 938306416 /nfs/dbraw/zinc/30/64/16/938306416.db2.gz ZOZQSXZXUCUFNJ-IBGZPJMESA-N 2 2 366.553 3.832 20 0 FHADLP COCc1cnc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773595 938310653 /nfs/dbraw/zinc/31/06/53/938310653.db2.gz SYHFNIGMCGNKLG-SFHVURJKSA-N 2 2 371.550 3.681 20 0 FHADLP COCc1cnc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773595 938310654 /nfs/dbraw/zinc/31/06/54/938310654.db2.gz SYHFNIGMCGNKLG-SFHVURJKSA-N 2 2 371.550 3.681 20 0 FHADLP Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(-c2cnn(C)c2)c1 ZINC000583740771 938384572 /nfs/dbraw/zinc/38/45/72/938384572.db2.gz SCCCICYNGMUXPS-UHFFFAOYSA-N 2 2 357.461 3.871 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650760463 938434893 /nfs/dbraw/zinc/43/48/93/938434893.db2.gz DQWFAENYQXCLDH-KAGYGMCKSA-N 2 2 364.537 3.699 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650760463 938434895 /nfs/dbraw/zinc/43/48/95/938434895.db2.gz DQWFAENYQXCLDH-KAGYGMCKSA-N 2 2 364.537 3.699 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000647315235 938493072 /nfs/dbraw/zinc/49/30/72/938493072.db2.gz UNIDUUSJUBZOMP-TZMCWYRMSA-N 2 2 353.304 3.519 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000647315235 938493074 /nfs/dbraw/zinc/49/30/74/938493074.db2.gz UNIDUUSJUBZOMP-TZMCWYRMSA-N 2 2 353.304 3.519 20 0 FHADLP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507363217 945181200 /nfs/dbraw/zinc/18/12/00/945181200.db2.gz VHSIYHQWBVKIKF-GOSISDBHSA-N 2 2 363.461 3.684 20 0 FHADLP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000507363217 945181210 /nfs/dbraw/zinc/18/12/10/945181210.db2.gz VHSIYHQWBVKIKF-GOSISDBHSA-N 2 2 363.461 3.684 20 0 FHADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CCCO2 ZINC000151307482 938525819 /nfs/dbraw/zinc/52/58/19/938525819.db2.gz LUEPJKUJAMQOAY-NRFANRHFSA-N 2 2 363.461 3.944 20 0 FHADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151323267 938527569 /nfs/dbraw/zinc/52/75/69/938527569.db2.gz BSDWMGMEEHOBRX-GOSISDBHSA-N 2 2 365.477 3.807 20 0 FHADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158457308 938528944 /nfs/dbraw/zinc/52/89/44/938528944.db2.gz UZRJCXFVUQBEPT-QGZVFWFLSA-N 2 2 364.493 3.739 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000132839108 938544374 /nfs/dbraw/zinc/54/43/74/938544374.db2.gz STBDTZVZABNVQS-GJZGRUSLSA-N 2 2 367.331 3.601 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CCc2ccccc2)c(C)c1 ZINC000584108399 938600357 /nfs/dbraw/zinc/60/03/57/938600357.db2.gz BMRIJXQVMKMVLQ-FYYLOGMGSA-N 2 2 363.505 3.825 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000584113191 938605748 /nfs/dbraw/zinc/60/57/48/938605748.db2.gz FOLFHYPFUZZWRB-NRFANRHFSA-N 2 2 364.537 3.925 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(C2CC2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000584113191 938605749 /nfs/dbraw/zinc/60/57/49/938605749.db2.gz FOLFHYPFUZZWRB-NRFANRHFSA-N 2 2 364.537 3.925 20 0 FHADLP c1ccc(OCC[NH+]2CCOCC2)c(CNc2cc[nH+]c3ccccc23)c1 ZINC000080970570 938711190 /nfs/dbraw/zinc/71/11/90/938711190.db2.gz UINWOZOEXUNPMT-UHFFFAOYSA-N 2 2 363.461 3.558 20 0 FHADLP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090805938 938882777 /nfs/dbraw/zinc/88/27/77/938882777.db2.gz LJFVWNWEZWTPQC-WIYYLYMNSA-N 2 2 351.494 3.808 20 0 FHADLP CC(C)[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000091281615 938899120 /nfs/dbraw/zinc/89/91/20/938899120.db2.gz DSAFIGIWSYCHEM-QFIPXVFZSA-N 2 2 352.526 3.581 20 0 FHADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1nc2ccc(Cl)cc2n1C ZINC000091284645 938899318 /nfs/dbraw/zinc/89/93/18/938899318.db2.gz BPSTXPBGMOBADX-ZDUSSCGKSA-N 2 2 357.889 3.653 20 0 FHADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000092043796 938910112 /nfs/dbraw/zinc/91/01/12/938910112.db2.gz MVAQDYXXCHEBMO-QUCCMNQESA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000092043796 938910114 /nfs/dbraw/zinc/91/01/14/938910114.db2.gz MVAQDYXXCHEBMO-QUCCMNQESA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000092043796 938910115 /nfs/dbraw/zinc/91/01/15/938910115.db2.gz MVAQDYXXCHEBMO-QUCCMNQESA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000092043796 938910117 /nfs/dbraw/zinc/91/01/17/938910117.db2.gz MVAQDYXXCHEBMO-QUCCMNQESA-N 2 2 370.566 3.696 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccccc1N(C)C ZINC000093944085 938932341 /nfs/dbraw/zinc/93/23/41/938932341.db2.gz CVOCBJFGDFNWKC-GOSISDBHSA-N 2 2 352.526 3.505 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000685473811 938989687 /nfs/dbraw/zinc/98/96/87/938989687.db2.gz FFBJLMRQPSWQCC-UHFFFAOYSA-N 2 2 363.505 3.988 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000685473811 938989688 /nfs/dbraw/zinc/98/96/88/938989688.db2.gz FFBJLMRQPSWQCC-UHFFFAOYSA-N 2 2 363.505 3.988 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572102 938992021 /nfs/dbraw/zinc/99/20/21/938992021.db2.gz CTKJLKDHBQNZQX-WMZOPIPTSA-N 2 2 368.912 3.845 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572102 938992022 /nfs/dbraw/zinc/99/20/22/938992022.db2.gz CTKJLKDHBQNZQX-WMZOPIPTSA-N 2 2 368.912 3.845 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+]C[C@]3([NH+](C)C)CCSC3)cc2cc1OC ZINC000657898470 938993058 /nfs/dbraw/zinc/99/30/58/938993058.db2.gz OPHBQANZKZUSCZ-YCRPNKLZSA-N 2 2 374.550 3.945 20 0 FHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000563951276 938996185 /nfs/dbraw/zinc/99/61/85/938996185.db2.gz VSTSEEMVQASTCQ-FGTMMUONSA-N 2 2 355.869 3.570 20 0 FHADLP CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000685579609 939002122 /nfs/dbraw/zinc/00/21/22/939002122.db2.gz QBJVLZFTZMRIEQ-GOSISDBHSA-N 2 2 367.493 3.675 20 0 FHADLP COC[C@H](CC1CCOCC1)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000657928666 939008171 /nfs/dbraw/zinc/00/81/71/939008171.db2.gz ADVYHANJATWYSX-RBBKRZOGSA-N 2 2 371.525 3.663 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000685652155 939008776 /nfs/dbraw/zinc/00/87/76/939008776.db2.gz QAKVFMTZBKHVSI-MRXNPFEDSA-N 2 2 363.465 3.681 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658055069 939020889 /nfs/dbraw/zinc/02/08/89/939020889.db2.gz HVLPQPHVAMXRKT-KGLIPLIRSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658055069 939020890 /nfs/dbraw/zinc/02/08/90/939020890.db2.gz HVLPQPHVAMXRKT-KGLIPLIRSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056006 939020935 /nfs/dbraw/zinc/02/09/35/939020935.db2.gz KBSIZOUWMZRIJZ-WBVHZDCISA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056006 939020936 /nfs/dbraw/zinc/02/09/36/939020936.db2.gz KBSIZOUWMZRIJZ-WBVHZDCISA-N 2 2 365.949 3.539 20 0 FHADLP COC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000658166388 939054225 /nfs/dbraw/zinc/05/42/25/939054225.db2.gz UYLNUVWEBGPETE-HRAATJIYSA-N 2 2 351.450 3.919 20 0 FHADLP CC[NH+]1CCC([NH2+][C@H]2CSCc3ccc(Br)cc32)CC1 ZINC000658189700 939061592 /nfs/dbraw/zinc/06/15/92/939061592.db2.gz VGZUWNWWEPEELA-INIZCTEOSA-N 2 2 355.345 3.811 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000658294152 939100489 /nfs/dbraw/zinc/10/04/89/939100489.db2.gz LXBALVVRIZPMIM-ZOBUZTSGSA-N 2 2 359.539 3.631 20 0 FHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293826 939100544 /nfs/dbraw/zinc/10/05/44/939100544.db2.gz DBERPOBGLVHAMB-HNAYVOBHSA-N 2 2 370.459 3.869 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000658295964 939101198 /nfs/dbraw/zinc/10/11/98/939101198.db2.gz WOCRMIOSRBGZKP-PBHICJAKSA-N 2 2 370.509 3.948 20 0 FHADLP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658297010 939102241 /nfs/dbraw/zinc/10/22/41/939102241.db2.gz XIOODTGOLKWMKO-PKOBYXMFSA-N 2 2 370.459 3.869 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316410 939109937 /nfs/dbraw/zinc/10/99/37/939109937.db2.gz FTONREXGQFOWOY-HOJAQTOUSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316410 939109941 /nfs/dbraw/zinc/10/99/41/939109941.db2.gz FTONREXGQFOWOY-HOJAQTOUSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)C1 ZINC000519231049 945236765 /nfs/dbraw/zinc/23/67/65/945236765.db2.gz ZDSMJOQLGLTMNO-YLJYHZDGSA-N 2 2 353.514 3.781 20 0 FHADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801727 939916214 /nfs/dbraw/zinc/91/62/14/939916214.db2.gz NCTYCNUVFONBLF-GTAWCEEGSA-N 2 2 360.546 3.510 20 0 FHADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801727 939916217 /nfs/dbraw/zinc/91/62/17/939916217.db2.gz NCTYCNUVFONBLF-GTAWCEEGSA-N 2 2 360.546 3.510 20 0 FHADLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccccc1Cl ZINC000569877003 940020764 /nfs/dbraw/zinc/02/07/64/940020764.db2.gz FCUUSPJUXMCBSB-LAUBAEHRSA-N 2 2 357.929 3.979 20 0 FHADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000584497051 940239684 /nfs/dbraw/zinc/23/96/84/940239684.db2.gz GPSJNLJFVAQDAJ-UHFFFAOYSA-N 2 2 365.477 3.993 20 0 FHADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1OCc1ccccc1 ZINC000584497051 940239688 /nfs/dbraw/zinc/23/96/88/940239688.db2.gz GPSJNLJFVAQDAJ-UHFFFAOYSA-N 2 2 365.477 3.993 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000414273900 940872308 /nfs/dbraw/zinc/87/23/08/940872308.db2.gz TYXVIBHCLIYBLV-CZTZKLFOSA-N 2 2 353.510 3.578 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000414273900 940872310 /nfs/dbraw/zinc/87/23/10/940872310.db2.gz TYXVIBHCLIYBLV-CZTZKLFOSA-N 2 2 353.510 3.578 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949133 /nfs/dbraw/zinc/94/91/33/940949133.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 3 2 355.570 3.849 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949137 /nfs/dbraw/zinc/94/91/37/940949137.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949144 /nfs/dbraw/zinc/94/91/44/940949144.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 3 2 355.570 3.849 20 0 FHADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472582184 940949148 /nfs/dbraw/zinc/94/91/48/940949148.db2.gz PZGLUNBDKNUPOE-DHIUTWEWSA-N 3 2 355.570 3.849 20 0 FHADLP COCCCCc1ccc[nH+]c1NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000461227358 940954121 /nfs/dbraw/zinc/95/41/21/940954121.db2.gz RBPDYGYFZPXCPJ-UHFFFAOYSA-N 2 2 374.554 3.886 20 0 FHADLP COCCCCc1ccc[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000461227358 940954124 /nfs/dbraw/zinc/95/41/24/940954124.db2.gz RBPDYGYFZPXCPJ-UHFFFAOYSA-N 2 2 374.554 3.886 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000472585124 940969210 /nfs/dbraw/zinc/96/92/10/940969210.db2.gz WLKZJVVAQMMKBG-NQIIRXRSSA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000472585124 940969213 /nfs/dbraw/zinc/96/92/13/940969213.db2.gz WLKZJVVAQMMKBG-NQIIRXRSSA-N 2 2 365.512 3.908 20 0 FHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660906 945365413 /nfs/dbraw/zinc/36/54/13/945365413.db2.gz BCLCXPGCVJAYKV-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660906 945365425 /nfs/dbraw/zinc/36/54/25/945365425.db2.gz BCLCXPGCVJAYKV-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660906 945365433 /nfs/dbraw/zinc/36/54/33/945365433.db2.gz BCLCXPGCVJAYKV-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(OCc3ccccc3)nc1)C2 ZINC000660660906 945365446 /nfs/dbraw/zinc/36/54/46/945365446.db2.gz BCLCXPGCVJAYKV-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CCC(C(F)(F)F)CC1 ZINC000423234054 941076354 /nfs/dbraw/zinc/07/63/54/941076354.db2.gz OYVVZYGZCHAYCK-NFOMZHRRSA-N 2 2 356.436 3.660 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCOc3ccccc3)CC2)cc1 ZINC000164068677 941107645 /nfs/dbraw/zinc/10/76/45/941107645.db2.gz VHXDTMSAPSZAPT-UHFFFAOYSA-N 2 2 353.510 3.780 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000892751682 941515151 /nfs/dbraw/zinc/51/51/51/941515151.db2.gz ZGXWKTUTUMSZFV-UHFFFAOYSA-N 2 2 361.477 3.992 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000549142201 941518682 /nfs/dbraw/zinc/51/86/82/941518682.db2.gz GKVXMRVBCSPHOI-QGZVFWFLSA-N 2 2 367.493 3.642 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000163691475 941548509 /nfs/dbraw/zinc/54/85/09/941548509.db2.gz UGNJOZUKNAMGLT-INIZCTEOSA-N 2 2 358.457 3.517 20 0 FHADLP CC1(C)C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c2cc(N)ccc2O1 ZINC000415030049 941553935 /nfs/dbraw/zinc/55/39/35/941553935.db2.gz FOYQZIJKQIRKGE-QGZVFWFLSA-N 2 2 354.479 3.908 20 0 FHADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039687 941560139 /nfs/dbraw/zinc/56/01/39/941560139.db2.gz JMCBGBSTBZSULC-NVXWUHKLSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039687 941560141 /nfs/dbraw/zinc/56/01/41/941560141.db2.gz JMCBGBSTBZSULC-NVXWUHKLSA-N 2 2 352.906 3.711 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053913 941572519 /nfs/dbraw/zinc/57/25/19/941572519.db2.gz PFKWLIQGWLILJC-BBRMVZONSA-N 2 2 366.431 3.556 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053913 941572522 /nfs/dbraw/zinc/57/25/22/941572522.db2.gz PFKWLIQGWLILJC-BBRMVZONSA-N 2 2 366.431 3.556 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000415068480 941583299 /nfs/dbraw/zinc/58/32/99/941583299.db2.gz RCZZQZUGDSHXPL-PXNSSMCTSA-N 2 2 353.510 3.873 20 0 FHADLP COc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415077152 941587722 /nfs/dbraw/zinc/58/77/22/941587722.db2.gz DXPJTKFCKSQTQQ-LAUBAEHRSA-N 2 2 358.457 3.664 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000163704409 941588465 /nfs/dbraw/zinc/58/84/65/941588465.db2.gz UAZMJSJUUBAAMZ-MRXNPFEDSA-N 2 2 358.457 3.517 20 0 FHADLP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113278 941611261 /nfs/dbraw/zinc/61/12/61/941611261.db2.gz DWWOOYCZCQVXAY-QGZVFWFLSA-N 2 2 358.357 3.921 20 0 FHADLP CC(C)C[C@@H]([NH3+])CNC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113278 941611264 /nfs/dbraw/zinc/61/12/64/941611264.db2.gz DWWOOYCZCQVXAY-QGZVFWFLSA-N 2 2 358.357 3.921 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CCCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000729323251 941717570 /nfs/dbraw/zinc/71/75/70/941717570.db2.gz OPBBMTLBSGNMOY-RTBURBONSA-N 2 2 373.541 3.500 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231109 941788412 /nfs/dbraw/zinc/78/84/12/941788412.db2.gz BTSXYFXVKUEYKU-PZJWPPBQSA-N 2 2 373.585 3.519 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000513231109 941788415 /nfs/dbraw/zinc/78/84/15/941788415.db2.gz BTSXYFXVKUEYKU-PZJWPPBQSA-N 2 2 373.585 3.519 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)s1 ZINC000377649302 941869043 /nfs/dbraw/zinc/86/90/43/941869043.db2.gz MCEVTMBBPFEMRG-RVSPLBMKSA-N 2 2 365.930 3.632 20 0 FHADLP C[C@H](O)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)s1 ZINC000377649302 941869046 /nfs/dbraw/zinc/86/90/46/941869046.db2.gz MCEVTMBBPFEMRG-RVSPLBMKSA-N 2 2 365.930 3.632 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)[C@@H](C)C1 ZINC000513398812 941894928 /nfs/dbraw/zinc/89/49/28/941894928.db2.gz ADIQKURTWNJBHK-JVPBZIDWSA-N 2 2 352.469 3.679 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)[C@@H](C)C1 ZINC000513398812 941894933 /nfs/dbraw/zinc/89/49/33/941894933.db2.gz ADIQKURTWNJBHK-JVPBZIDWSA-N 2 2 352.469 3.679 20 0 FHADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000513493836 941961826 /nfs/dbraw/zinc/96/18/26/941961826.db2.gz CSZNJRFAYNOPKX-UHFFFAOYSA-N 2 2 362.477 3.644 20 0 FHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000513486006 941965800 /nfs/dbraw/zinc/96/58/00/941965800.db2.gz VHZYMUJTNSQNPW-RTWAWAEBSA-N 2 2 358.913 3.800 20 0 FHADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)cc1 ZINC000513486006 941965804 /nfs/dbraw/zinc/96/58/04/941965804.db2.gz VHZYMUJTNSQNPW-RTWAWAEBSA-N 2 2 358.913 3.800 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@@H+](C)C3CC[NH+](CCO)CC3)cc2)c1 ZINC000513515936 941976578 /nfs/dbraw/zinc/97/65/78/941976578.db2.gz RHSGDRAPOVJAJQ-UHFFFAOYSA-N 2 2 352.522 3.859 20 0 FHADLP Cc1cc(C)cc(-c2ccc(C[N@H+](C)C3CC[NH+](CCO)CC3)cc2)c1 ZINC000513515936 941976582 /nfs/dbraw/zinc/97/65/82/941976582.db2.gz RHSGDRAPOVJAJQ-UHFFFAOYSA-N 2 2 352.522 3.859 20 0 FHADLP Fc1cc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)ccc1-n1cc[nH+]c1 ZINC000513537647 941994782 /nfs/dbraw/zinc/99/47/82/941994782.db2.gz BLYTZNBDZNGANB-OAQYLSRUSA-N 2 2 373.435 3.875 20 0 FHADLP CCn1c2ccccc2c2cc(C[N@H+](C)C3CC[NH+](CCO)CC3)ccc21 ZINC000513563504 942018663 /nfs/dbraw/zinc/01/86/63/942018663.db2.gz LSDUDJDDKZJMEE-UHFFFAOYSA-N 2 2 365.521 3.703 20 0 FHADLP CCn1c2ccccc2c2cc(C[N@@H+](C)C3CC[NH+](CCO)CC3)ccc21 ZINC000513563504 942018665 /nfs/dbraw/zinc/01/86/65/942018665.db2.gz LSDUDJDDKZJMEE-UHFFFAOYSA-N 2 2 365.521 3.703 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000502007092 942166440 /nfs/dbraw/zinc/16/64/40/942166440.db2.gz DYLAEZVGBYOLIH-PZJWPPBQSA-N 2 2 368.525 3.622 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000502007092 942166443 /nfs/dbraw/zinc/16/64/43/942166443.db2.gz DYLAEZVGBYOLIH-PZJWPPBQSA-N 2 2 368.525 3.622 20 0 FHADLP Cn1cc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000420978666 942288921 /nfs/dbraw/zinc/28/89/21/942288921.db2.gz UHGKKQNVRWEULK-UHFFFAOYSA-N 2 2 358.917 3.562 20 0 FHADLP Cn1cc(Cl)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000420978666 942288925 /nfs/dbraw/zinc/28/89/25/942288925.db2.gz UHGKKQNVRWEULK-UHFFFAOYSA-N 2 2 358.917 3.562 20 0 FHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1OC ZINC000502272618 942324284 /nfs/dbraw/zinc/32/42/84/942324284.db2.gz ZUNJTUSKMTUJTO-WBVHZDCISA-N 2 2 357.498 3.615 20 0 FHADLP c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2)c1 ZINC000502323219 942353714 /nfs/dbraw/zinc/35/37/14/942353714.db2.gz VCONZJXOXLYPLL-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP c1cnn(-c2cccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)c2)c1 ZINC000502323219 942353718 /nfs/dbraw/zinc/35/37/18/942353718.db2.gz VCONZJXOXLYPLL-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000502335345 942366347 /nfs/dbraw/zinc/36/63/47/942366347.db2.gz UKAANHYAUIWZHE-LJQANCHMSA-N 2 2 367.541 3.839 20 0 FHADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000502335345 942366352 /nfs/dbraw/zinc/36/63/52/942366352.db2.gz UKAANHYAUIWZHE-LJQANCHMSA-N 2 2 367.541 3.839 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(C2CCCC2)c1 ZINC000502435570 942452638 /nfs/dbraw/zinc/45/26/38/942452638.db2.gz OMZMMTFHKNODHU-JXFKEZNVSA-N 2 2 368.529 3.707 20 0 FHADLP C[NH+](C)[C@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000416204583 942475379 /nfs/dbraw/zinc/47/53/79/942475379.db2.gz OYRUNYJUCGATSD-OAQYLSRUSA-N 2 2 368.525 3.595 20 0 FHADLP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831819 942501287 /nfs/dbraw/zinc/50/12/87/942501287.db2.gz NYPWSFLDSCZHRZ-YVEFUNNKSA-N 2 2 351.263 3.809 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000421336627 942508772 /nfs/dbraw/zinc/50/87/72/942508772.db2.gz XAQSGFHMOTWASF-HNNXBMFYSA-N 2 2 360.933 3.904 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nn1C ZINC000421336627 942508777 /nfs/dbraw/zinc/50/87/77/942508777.db2.gz XAQSGFHMOTWASF-HNNXBMFYSA-N 2 2 360.933 3.904 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285563 942605134 /nfs/dbraw/zinc/60/51/34/942605134.db2.gz FELNQTPXQSBNLM-RIFZZMRRSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285563 942605137 /nfs/dbraw/zinc/60/51/37/942605137.db2.gz FELNQTPXQSBNLM-RIFZZMRRSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420348854 942633030 /nfs/dbraw/zinc/63/30/30/942633030.db2.gz BEQVLVZAGJDSJW-INIZCTEOSA-N 2 2 367.541 3.619 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420352408 942634760 /nfs/dbraw/zinc/63/47/60/942634760.db2.gz ACSLRWNMPQVXJY-ICSRJNTNSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000420360789 942637635 /nfs/dbraw/zinc/63/76/35/942637635.db2.gz MFLABLPHEVOGLY-SJCJKPOMSA-N 2 2 372.340 3.668 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420360181 942637808 /nfs/dbraw/zinc/63/78/08/942637808.db2.gz KQTCRJLXGMHQRA-QUCCMNQESA-N 2 2 373.928 3.509 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000420360795 942637950 /nfs/dbraw/zinc/63/79/50/942637950.db2.gz MFLABLPHEVOGLY-YVEFUNNKSA-N 2 2 372.340 3.668 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420364566 942639482 /nfs/dbraw/zinc/63/94/82/942639482.db2.gz PEQFADOBXSJGOW-HZPDHXFCSA-N 2 2 372.340 3.620 20 0 FHADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420399332 942655997 /nfs/dbraw/zinc/65/59/97/942655997.db2.gz NXKYEDOOMILUCV-YJBOKZPZSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420399332 942656001 /nfs/dbraw/zinc/65/60/01/942656001.db2.gz NXKYEDOOMILUCV-YJBOKZPZSA-N 2 2 357.523 3.783 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868773 942814933 /nfs/dbraw/zinc/81/49/33/942814933.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000502868773 942814941 /nfs/dbraw/zinc/81/49/41/942814941.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000502868773 942814947 /nfs/dbraw/zinc/81/49/47/942814947.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000502868773 942814953 /nfs/dbraw/zinc/81/49/53/942814953.db2.gz JVMNWHHNGJDWEJ-QHCPKHFHSA-N 3 2 366.553 3.960 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644199 942823647 /nfs/dbraw/zinc/82/36/47/942823647.db2.gz FAXKCRPDXRZNSP-QFBILLFUSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644199 942823649 /nfs/dbraw/zinc/82/36/49/942823649.db2.gz FAXKCRPDXRZNSP-QFBILLFUSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644199 942823656 /nfs/dbraw/zinc/82/36/56/942823656.db2.gz FAXKCRPDXRZNSP-QFBILLFUSA-N 2 2 365.587 3.658 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CC2CCOCC2)C1 ZINC000434644199 942823661 /nfs/dbraw/zinc/82/36/61/942823661.db2.gz FAXKCRPDXRZNSP-QFBILLFUSA-N 2 2 365.587 3.658 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccncc1Cl ZINC000421829641 942837205 /nfs/dbraw/zinc/83/72/05/942837205.db2.gz AEMSVRSLXPJXCT-CQSZACIVSA-N 2 2 359.905 3.834 20 0 FHADLP CC[C@@H](C[NH2+][C@@H](Cc1ccncc1)c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000513762429 942923886 /nfs/dbraw/zinc/92/38/86/942923886.db2.gz RHDVHSXAKLUKSM-UNMCSNQZSA-N 2 2 353.510 3.838 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503061383 942944665 /nfs/dbraw/zinc/94/46/65/942944665.db2.gz GAWNZELBALZWFF-FPOVZHCZSA-N 2 2 368.525 3.513 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503061383 942944669 /nfs/dbraw/zinc/94/46/69/942944669.db2.gz GAWNZELBALZWFF-FPOVZHCZSA-N 2 2 368.525 3.513 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000422017493 942952069 /nfs/dbraw/zinc/95/20/69/942952069.db2.gz JDOLABHKPJOALW-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCCC3(C)C)CC2)CC1 ZINC000422017493 942952073 /nfs/dbraw/zinc/95/20/73/942952073.db2.gz JDOLABHKPJOALW-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422019302 942953231 /nfs/dbraw/zinc/95/32/31/942953231.db2.gz LIMOGNWAOISELN-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000422019302 942953239 /nfs/dbraw/zinc/95/32/39/942953239.db2.gz LIMOGNWAOISELN-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000378616450 942965755 /nfs/dbraw/zinc/96/57/55/942965755.db2.gz OTURMUWVIWYGFF-PXNSSMCTSA-N 2 2 366.509 3.603 20 0 FHADLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000378616450 942965760 /nfs/dbraw/zinc/96/57/60/942965760.db2.gz OTURMUWVIWYGFF-PXNSSMCTSA-N 2 2 366.509 3.603 20 0 FHADLP COc1cc2c(cc1C[NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000042228244 942988351 /nfs/dbraw/zinc/98/83/51/942988351.db2.gz SHJFHVIGDZUKQO-MRXNPFEDSA-N 2 2 363.461 3.553 20 0 FHADLP Cc1cc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc(C)[nH+]1 ZINC000422215817 943058547 /nfs/dbraw/zinc/05/85/47/943058547.db2.gz URUNNAAOQDZKCZ-LJQANCHMSA-N 2 2 372.557 3.885 20 0 FHADLP Cc1cc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc(C)[nH+]1 ZINC000422215817 943058553 /nfs/dbraw/zinc/05/85/53/943058553.db2.gz URUNNAAOQDZKCZ-LJQANCHMSA-N 2 2 372.557 3.885 20 0 FHADLP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434997809 943093992 /nfs/dbraw/zinc/09/39/92/943093992.db2.gz XNUQTHNRMPSHJC-JOCHJYFZSA-N 2 2 374.488 3.647 20 0 FHADLP CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC ZINC000435054577 943127671 /nfs/dbraw/zinc/12/76/71/943127671.db2.gz CVKXHNNSMDSYIV-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC ZINC000435054577 943127674 /nfs/dbraw/zinc/12/76/74/943127674.db2.gz CVKXHNNSMDSYIV-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403327 943163630 /nfs/dbraw/zinc/16/36/30/943163630.db2.gz CUWCKRQJYLDAKO-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP CCOc1ccc(OCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403327 943163633 /nfs/dbraw/zinc/16/36/33/943163633.db2.gz CUWCKRQJYLDAKO-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCc1cccs1 ZINC000422560818 943181664 /nfs/dbraw/zinc/18/16/64/943181664.db2.gz HSHRABZCXQXCNA-UHFFFAOYSA-N 2 2 358.507 3.664 20 0 FHADLP c1ccc2nc(N3CCCCC3)c(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2c1 ZINC000422562213 943183090 /nfs/dbraw/zinc/18/30/90/943183090.db2.gz PKQGHSDOUUOXGB-UHFFFAOYSA-N 2 2 350.510 3.553 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552616 943187668 /nfs/dbraw/zinc/18/76/68/943187668.db2.gz HTMHWCIHPWCKEU-IEBWSBKVSA-N 2 2 360.933 3.554 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552616 943187671 /nfs/dbraw/zinc/18/76/71/943187671.db2.gz HTMHWCIHPWCKEU-IEBWSBKVSA-N 2 2 360.933 3.554 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272660921 943195650 /nfs/dbraw/zinc/19/56/50/943195650.db2.gz HNOIATIRNNMLQV-ZTFGCOKTSA-N 2 2 356.470 3.572 20 0 FHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713380 943253866 /nfs/dbraw/zinc/25/38/66/943253866.db2.gz JOIXIEWTJPORLM-MYDTUXCISA-N 3 2 373.585 3.596 20 0 FHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713380 943253872 /nfs/dbraw/zinc/25/38/72/943253872.db2.gz JOIXIEWTJPORLM-MYDTUXCISA-N 3 2 373.585 3.596 20 0 FHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422776982 943279031 /nfs/dbraw/zinc/27/90/31/943279031.db2.gz BKMFWINRUSNHPX-HOCLYGCPSA-N 2 2 362.420 3.614 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422776977 943279274 /nfs/dbraw/zinc/27/92/74/943279274.db2.gz BKMFWINRUSNHPX-GDBMZVCRSA-N 2 2 362.420 3.614 20 0 FHADLP Fc1ccccc1Oc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1F ZINC000422779313 943279957 /nfs/dbraw/zinc/27/99/57/943279957.db2.gz FWNJJFHPZDLUDY-LEWJYISDSA-N 2 2 374.431 3.614 20 0 FHADLP Clc1ccccc1[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422787479 943283278 /nfs/dbraw/zinc/28/32/78/943283278.db2.gz MGJRIVFSYGPUIM-KKSFZXQISA-N 2 2 372.896 3.932 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764327 943284759 /nfs/dbraw/zinc/28/47/59/943284759.db2.gz PWNHAOKXVUMNDT-KMCQBPLKSA-N 3 2 357.464 3.804 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764327 943284762 /nfs/dbraw/zinc/28/47/62/943284762.db2.gz PWNHAOKXVUMNDT-KMCQBPLKSA-N 3 2 357.464 3.804 20 0 FHADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422796797 943287104 /nfs/dbraw/zinc/28/71/04/943287104.db2.gz ZBKNBXRPSLUPRT-LRDNONRASA-N 2 2 360.885 3.916 20 0 FHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)cs1 ZINC000422810481 943291689 /nfs/dbraw/zinc/29/16/89/943291689.db2.gz UJGGDEVCQTUSGQ-MRFFXTKBSA-N 2 2 357.523 3.536 20 0 FHADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422853876 943306553 /nfs/dbraw/zinc/30/65/53/943306553.db2.gz SYQSJTTUWADZFU-VAMGGRTRSA-N 2 2 355.551 3.939 20 0 FHADLP CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1OC(F)F ZINC000422871998 943321336 /nfs/dbraw/zinc/32/13/36/943321336.db2.gz FGQICIVNDQVJAY-WMLDXEAASA-N 2 2 364.436 3.735 20 0 FHADLP CCOc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1OC(F)F ZINC000422871997 943321470 /nfs/dbraw/zinc/32/14/70/943321470.db2.gz FGQICIVNDQVJAY-RHSMWYFYSA-N 2 2 364.436 3.735 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1F ZINC000422903355 943325307 /nfs/dbraw/zinc/32/53/07/943325307.db2.gz OILUJPXUFSFJGH-DFQSSKMNSA-N 3 2 356.489 3.720 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000422929797 943335102 /nfs/dbraw/zinc/33/51/02/943335102.db2.gz ACHHTMUIAHYNTR-FSPWUOQZSA-N 2 2 367.331 3.647 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952924 943348035 /nfs/dbraw/zinc/34/80/35/943348035.db2.gz CSFBWTJTWGEMEE-HGHGUNKESA-N 2 2 352.478 3.534 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1c[nH+]ccc1N ZINC000423004079 943362400 /nfs/dbraw/zinc/36/24/00/943362400.db2.gz JCNROZUDHQSOAW-INIZCTEOSA-N 3 2 350.466 3.570 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1c[nH+]ccc1N ZINC000423004079 943362402 /nfs/dbraw/zinc/36/24/02/943362402.db2.gz JCNROZUDHQSOAW-INIZCTEOSA-N 3 2 350.466 3.570 20 0 FHADLP CN1CC[C@H](C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423022948 943369364 /nfs/dbraw/zinc/36/93/64/943369364.db2.gz ISHIISYELWPADL-ZWQIFLOQSA-N 2 2 353.913 3.722 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022898 943369629 /nfs/dbraw/zinc/36/96/29/943369629.db2.gz IMYLTRKAPRGFRW-KNEBKQPDSA-N 2 2 353.913 3.592 20 0 FHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1SC ZINC000435382876 943371750 /nfs/dbraw/zinc/37/17/50/943371750.db2.gz FNYWUOCPDNZHMV-LJQANCHMSA-N 2 2 371.550 3.956 20 0 FHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1SC ZINC000435382876 943371756 /nfs/dbraw/zinc/37/17/56/943371756.db2.gz FNYWUOCPDNZHMV-LJQANCHMSA-N 2 2 371.550 3.956 20 0 FHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423043087 943375948 /nfs/dbraw/zinc/37/59/48/943375948.db2.gz NGSNIRBZDHVYMJ-AMKSKSKJSA-N 2 2 352.404 3.858 20 0 FHADLP CCOc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435395440 943380720 /nfs/dbraw/zinc/38/07/20/943380720.db2.gz SJPVYTLSEWLWLU-HXUWFJFHSA-N 2 2 369.509 3.633 20 0 FHADLP CCOc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435395440 943380725 /nfs/dbraw/zinc/38/07/25/943380725.db2.gz SJPVYTLSEWLWLU-HXUWFJFHSA-N 2 2 369.509 3.633 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423078114 943385593 /nfs/dbraw/zinc/38/55/93/943385593.db2.gz NVEIIHAUYZXXIO-DGCLKSJQSA-N 2 2 362.823 3.705 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420679 943400741 /nfs/dbraw/zinc/40/07/41/943400741.db2.gz FFDISGKIDNIOTC-WUUFJKRQSA-N 2 2 368.500 3.700 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C/c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420679 943400743 /nfs/dbraw/zinc/40/07/43/943400743.db2.gz FFDISGKIDNIOTC-WUUFJKRQSA-N 2 2 368.500 3.700 20 0 FHADLP CSc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423146192 943407267 /nfs/dbraw/zinc/40/72/67/943407267.db2.gz OLHLCGOPZZZIBA-DQLDELGASA-N 2 2 357.567 3.559 20 0 FHADLP C[NH2+]CCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423208502 943431645 /nfs/dbraw/zinc/43/16/45/943431645.db2.gz YVRFRQNYDZRFGT-QGZVFWFLSA-N 2 2 351.263 3.877 20 0 FHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239614 943445133 /nfs/dbraw/zinc/44/51/33/943445133.db2.gz BLSUCQWSYXQXFT-SJKOYZFVSA-N 2 2 351.263 3.809 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C(F)(F)F)cc1 ZINC000423230536 943452234 /nfs/dbraw/zinc/45/22/34/943452234.db2.gz JIVYZOGDUJIGMV-CYBMUJFWSA-N 2 2 350.388 3.683 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000515038998 943466403 /nfs/dbraw/zinc/46/64/03/943466403.db2.gz WKBOBGQAUKXRHB-HSALFYBXSA-N 2 2 367.541 3.709 20 0 FHADLP CC(C)c1nnc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000515038998 943466405 /nfs/dbraw/zinc/46/64/05/943466405.db2.gz WKBOBGQAUKXRHB-HSALFYBXSA-N 2 2 367.541 3.709 20 0 FHADLP Fc1ccccc1C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccccc1Br ZINC000423303864 943477314 /nfs/dbraw/zinc/47/73/14/943477314.db2.gz MTHIWXIURDVFLA-GOSISDBHSA-N 2 2 363.274 3.681 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)cc1 ZINC000423347239 943479343 /nfs/dbraw/zinc/47/93/43/943479343.db2.gz ZYEHZMYHKJTWRP-IRNNPGBSSA-N 2 2 354.494 3.507 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3cc(F)c(OC)cc32)cc1 ZINC000423335883 943483607 /nfs/dbraw/zinc/48/36/07/943483607.db2.gz PZOKITKEILMZML-WMQCIHAUSA-N 2 2 370.468 3.566 20 0 FHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000467312151 943493236 /nfs/dbraw/zinc/49/32/36/943493236.db2.gz AUKPVTIBDQHJON-HXUWFJFHSA-N 2 2 351.425 3.856 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(C)cc3)nc2C)CCC[NH2+]1 ZINC000423424380 943506514 /nfs/dbraw/zinc/50/65/14/943506514.db2.gz LQEXVLCRVWJCST-MGPUTAFESA-N 2 2 359.539 3.846 20 0 FHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000660193081 943522679 /nfs/dbraw/zinc/52/26/79/943522679.db2.gz YHHKBMKGKANORN-OAHLLOKOSA-N 2 2 372.488 3.684 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423505557 943531659 /nfs/dbraw/zinc/53/16/59/943531659.db2.gz OLWYAPAPIKKEIL-KUHUBIRLSA-N 2 2 351.494 3.829 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660199176 943540581 /nfs/dbraw/zinc/54/05/81/943540581.db2.gz DOSGVTDHWTZDMO-FXAWDEMLSA-N 2 2 356.510 3.714 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660199176 943540586 /nfs/dbraw/zinc/54/05/86/943540586.db2.gz DOSGVTDHWTZDMO-FXAWDEMLSA-N 2 2 356.510 3.714 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423520142 943544700 /nfs/dbraw/zinc/54/47/00/943544700.db2.gz PTEZKGLEROIULL-QMTHXVAHSA-N 2 2 370.337 3.753 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(SC)c(OC)c2)cc1 ZINC000414877365 943978109 /nfs/dbraw/zinc/97/81/09/943978109.db2.gz FSEXXRCQTQBHRO-RTBURBONSA-N 2 2 372.534 3.661 20 0 FHADLP COC(=O)[C@H](CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000425463206 944028910 /nfs/dbraw/zinc/02/89/10/944028910.db2.gz VTPUHVHQNBPSGQ-LAUBAEHRSA-N 2 2 363.461 3.870 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000364287682 944242538 /nfs/dbraw/zinc/24/25/38/944242538.db2.gz BPAKXMJDKGJTDA-BFHYXJOUSA-N 2 2 353.304 3.735 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000364287682 944242545 /nfs/dbraw/zinc/24/25/45/944242545.db2.gz BPAKXMJDKGJTDA-BFHYXJOUSA-N 2 2 353.304 3.735 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473326 944294637 /nfs/dbraw/zinc/29/46/37/944294637.db2.gz XZMKPAUGGFPTAJ-RZUBCFFCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473326 944294646 /nfs/dbraw/zinc/29/46/46/944294646.db2.gz XZMKPAUGGFPTAJ-RZUBCFFCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473326 944294656 /nfs/dbraw/zinc/29/46/56/944294656.db2.gz XZMKPAUGGFPTAJ-RZUBCFFCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473326 944294664 /nfs/dbraw/zinc/29/46/64/944294664.db2.gz XZMKPAUGGFPTAJ-RZUBCFFCSA-N 2 2 371.569 3.620 20 0 FHADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835869 944378808 /nfs/dbraw/zinc/37/88/08/944378808.db2.gz MLYGZOYPMFIMKY-JOCHJYFZSA-N 3 2 366.553 3.896 20 0 FHADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835869 944378816 /nfs/dbraw/zinc/37/88/16/944378816.db2.gz MLYGZOYPMFIMKY-JOCHJYFZSA-N 3 2 366.553 3.896 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430568051 944396047 /nfs/dbraw/zinc/39/60/47/944396047.db2.gz GTZALVKDJGXUKC-GFCCVEGCSA-N 2 2 358.313 3.642 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299917 944409945 /nfs/dbraw/zinc/40/99/45/944409945.db2.gz ZUEVWPKMPZLVDU-XUVXKRRUSA-N 2 2 353.510 3.936 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000426299917 944409951 /nfs/dbraw/zinc/40/99/51/944409951.db2.gz ZUEVWPKMPZLVDU-XUVXKRRUSA-N 2 2 353.510 3.936 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000426299916 944410235 /nfs/dbraw/zinc/41/02/35/944410235.db2.gz ZUEVWPKMPZLVDU-VAMGGRTRSA-N 2 2 353.510 3.936 20 0 FHADLP CCCc1nc(C)c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000426299916 944410241 /nfs/dbraw/zinc/41/02/41/944410241.db2.gz ZUEVWPKMPZLVDU-VAMGGRTRSA-N 2 2 353.510 3.936 20 0 FHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167977914 944433347 /nfs/dbraw/zinc/43/33/47/944433347.db2.gz JCNGJSBXQPKNEU-CBQGHPETSA-N 3 2 371.544 3.567 20 0 FHADLP [NH3+]C1(Cc2cccc(F)c2)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977914 944433354 /nfs/dbraw/zinc/43/33/54/944433354.db2.gz JCNGJSBXQPKNEU-CBQGHPETSA-N 3 2 371.544 3.567 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2[nH+]c(C)cn2c1)c1ccsc1 ZINC000517644017 944476320 /nfs/dbraw/zinc/47/63/20/944476320.db2.gz CEVYMXZCWXXPIP-KRWDZBQOSA-N 2 2 371.510 3.909 20 0 FHADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000647962137 944580613 /nfs/dbraw/zinc/58/06/13/944580613.db2.gz OBEMISSSNHAPQM-KSSFIOAISA-N 2 2 358.448 3.932 20 0 FHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000647962137 944580616 /nfs/dbraw/zinc/58/06/16/944580616.db2.gz OBEMISSSNHAPQM-KSSFIOAISA-N 2 2 358.448 3.932 20 0 FHADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000647962137 944580620 /nfs/dbraw/zinc/58/06/20/944580620.db2.gz OBEMISSSNHAPQM-KSSFIOAISA-N 2 2 358.448 3.932 20 0 FHADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000647962137 944580623 /nfs/dbraw/zinc/58/06/23/944580623.db2.gz OBEMISSSNHAPQM-KSSFIOAISA-N 2 2 358.448 3.932 20 0 FHADLP FC(F)(F)c1ccnc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000550271098 944645699 /nfs/dbraw/zinc/64/56/99/944645699.db2.gz HQDKXIDGLNXLBY-UHFFFAOYSA-N 2 2 352.385 3.680 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000500372950 944672253 /nfs/dbraw/zinc/67/22/53/944672253.db2.gz QSPPJRDMDJZCOU-QGZVFWFLSA-N 2 2 353.510 3.968 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(Cl)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000518775686 944733701 /nfs/dbraw/zinc/73/37/01/944733701.db2.gz BTIOEAORBDWOSI-ZDUSSCGKSA-N 2 2 351.853 3.675 20 0 FHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390702515 944736410 /nfs/dbraw/zinc/73/64/10/944736410.db2.gz UHFYSEDRQIBBDH-PKTZIBPZSA-N 2 2 352.522 3.888 20 0 FHADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390702515 944736417 /nfs/dbraw/zinc/73/64/17/944736417.db2.gz UHFYSEDRQIBBDH-PKTZIBPZSA-N 2 2 352.522 3.888 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C(C)(C)COCc3ccccc3)sc2C1 ZINC000500397110 944752671 /nfs/dbraw/zinc/75/26/71/944752671.db2.gz LDTXIMUFIPYOKE-UHFFFAOYSA-N 2 2 373.566 3.995 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C(C)(C)COCc3ccccc3)sc2C1 ZINC000500397110 944752674 /nfs/dbraw/zinc/75/26/74/944752674.db2.gz LDTXIMUFIPYOKE-UHFFFAOYSA-N 2 2 373.566 3.995 20 0 FHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454021 944887855 /nfs/dbraw/zinc/88/78/55/944887855.db2.gz PIBFRWYYLGQTJE-UNMCSNQZSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454021 944887864 /nfs/dbraw/zinc/88/78/64/944887864.db2.gz PIBFRWYYLGQTJE-UNMCSNQZSA-N 2 2 354.469 3.694 20 0 FHADLP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)C[NH3+])cc1 ZINC000414946174 944983856 /nfs/dbraw/zinc/98/38/56/944983856.db2.gz RTKDUDGCIBURNF-KRWDZBQOSA-N 2 2 364.493 3.763 20 0 FHADLP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)sc2C1 ZINC000415005047 945010755 /nfs/dbraw/zinc/01/07/55/945010755.db2.gz OPZQBAPRHSGMAF-UWWQBHOKSA-N 2 2 373.541 3.890 20 0 FHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167036 945057840 /nfs/dbraw/zinc/05/78/40/945057840.db2.gz INLBLHJNTJSXJN-DCKQQPRJSA-N 2 2 354.523 3.538 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C/c1ccncc1)CC2 ZINC000426167036 945057854 /nfs/dbraw/zinc/05/78/54/945057854.db2.gz INLBLHJNTJSXJN-DCKQQPRJSA-N 2 2 354.523 3.538 20 0 FHADLP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000506372947 945059627 /nfs/dbraw/zinc/05/96/27/945059627.db2.gz YWZTUTVJRUTVHZ-UHFFFAOYSA-N 2 2 354.498 3.536 20 0 FHADLP Cc1noc(C2CCC([NH2+]C3CC[NH+]([C@@H](C)c4ccncc4)CC3)CC2)n1 ZINC000280949783 945477634 /nfs/dbraw/zinc/47/76/34/945477634.db2.gz IOEILTWPKJXIAQ-MNNVXMFVSA-N 2 2 369.513 3.614 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790516 945742578 /nfs/dbraw/zinc/74/25/78/945742578.db2.gz ONMCSRPGKRBAQN-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790516 945742588 /nfs/dbraw/zinc/74/25/88/945742588.db2.gz ONMCSRPGKRBAQN-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790516 945742595 /nfs/dbraw/zinc/74/25/95/945742595.db2.gz ONMCSRPGKRBAQN-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790516 945742602 /nfs/dbraw/zinc/74/26/02/945742602.db2.gz ONMCSRPGKRBAQN-NVXWUHKLSA-N 2 2 352.906 3.663 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651719341 945762287 /nfs/dbraw/zinc/76/22/87/945762287.db2.gz QIRNJAYUKKCJRK-OALUTQOASA-N 2 2 365.521 3.900 20 0 FHADLP C[C@H]([NH3+])c1ccc(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000415149889 945787907 /nfs/dbraw/zinc/78/79/07/945787907.db2.gz OSUFVBPLWXKNSV-HOTGVXAUSA-N 2 2 368.481 3.744 20 0 FHADLP c1coc(C2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000661160749 945794529 /nfs/dbraw/zinc/79/45/29/945794529.db2.gz CQAFXEFBJJSKKE-NRFANRHFSA-N 2 2 354.494 3.750 20 0 FHADLP c1coc(C2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000661160749 945794536 /nfs/dbraw/zinc/79/45/36/945794536.db2.gz CQAFXEFBJJSKKE-NRFANRHFSA-N 2 2 354.494 3.750 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1F ZINC000651728751 945795981 /nfs/dbraw/zinc/79/59/81/945795981.db2.gz JPSKLVSTQPZEEV-UHFFFAOYSA-N 2 2 350.478 3.730 20 0 FHADLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000894489914 945797099 /nfs/dbraw/zinc/79/70/99/945797099.db2.gz KAVKDWQGVBKMIF-UHFFFAOYSA-N 2 2 351.450 3.630 20 0 FHADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000894489914 945797112 /nfs/dbraw/zinc/79/71/12/945797112.db2.gz KAVKDWQGVBKMIF-UHFFFAOYSA-N 2 2 351.450 3.630 20 0 FHADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651733531 945801942 /nfs/dbraw/zinc/80/19/42/945801942.db2.gz KURIHCZJODWZTM-OKZBNKHCSA-N 2 2 366.908 3.824 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000301566350 945852120 /nfs/dbraw/zinc/85/21/20/945852120.db2.gz WHUMMHVMIFKGBR-UYAOXDASSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000301566350 945852135 /nfs/dbraw/zinc/85/21/35/945852135.db2.gz WHUMMHVMIFKGBR-UYAOXDASSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301566350 945852147 /nfs/dbraw/zinc/85/21/47/945852147.db2.gz WHUMMHVMIFKGBR-UYAOXDASSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301566350 945852155 /nfs/dbraw/zinc/85/21/55/945852155.db2.gz WHUMMHVMIFKGBR-UYAOXDASSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301903733 946031314 /nfs/dbraw/zinc/03/13/14/946031314.db2.gz PECVPFQOWPPGRH-INIZCTEOSA-N 2 2 353.514 3.693 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301903733 946031326 /nfs/dbraw/zinc/03/13/26/946031326.db2.gz PECVPFQOWPPGRH-INIZCTEOSA-N 2 2 353.514 3.693 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301907152 946031959 /nfs/dbraw/zinc/03/19/59/946031959.db2.gz ZPUOGXZQYVIZID-IYBDPMFKSA-N 2 2 358.534 3.751 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301907152 946031970 /nfs/dbraw/zinc/03/19/70/946031970.db2.gz ZPUOGXZQYVIZID-IYBDPMFKSA-N 2 2 358.534 3.751 20 0 FHADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(-c4cccc5ccccc54)o3)C2)[nH]1 ZINC000639533695 946099053 /nfs/dbraw/zinc/09/90/53/946099053.db2.gz SENUGLYSIBQSNQ-INIZCTEOSA-N 2 2 359.433 3.993 20 0 FHADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3nnc(-c4cccc5ccccc54)o3)C2)[nH]1 ZINC000639533695 946099065 /nfs/dbraw/zinc/09/90/65/946099065.db2.gz SENUGLYSIBQSNQ-INIZCTEOSA-N 2 2 359.433 3.993 20 0 FHADLP C[C@@H]1CC(N2CC[NH+](Cc3ccco3)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168052914 946148453 /nfs/dbraw/zinc/14/84/53/946148453.db2.gz LMACGMUUHFLCEV-WOJBJXKFSA-N 2 2 367.537 3.839 20 0 FHADLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000651892494 946183106 /nfs/dbraw/zinc/18/31/06/946183106.db2.gz YSQPNQNXIABMAI-JTSKRJEESA-N 2 2 356.485 3.544 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc2ccccc12 ZINC000441248225 946343207 /nfs/dbraw/zinc/34/32/07/946343207.db2.gz MMXRBPJGNPONCC-CDHQVMDDSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc2ccccc12 ZINC000441248225 946343217 /nfs/dbraw/zinc/34/32/17/946343217.db2.gz MMXRBPJGNPONCC-CDHQVMDDSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1ccc2[nH]c(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc2c1C ZINC000473140613 946541635 /nfs/dbraw/zinc/54/16/35/946541635.db2.gz MIHVGPOEDRWHEQ-UHFFFAOYSA-N 2 2 365.525 3.578 20 0 FHADLP Cc1ccc2[nH]c(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc2c1C ZINC000473140613 946541642 /nfs/dbraw/zinc/54/16/42/946541642.db2.gz MIHVGPOEDRWHEQ-UHFFFAOYSA-N 2 2 365.525 3.578 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475557702 946633106 /nfs/dbraw/zinc/63/31/06/946633106.db2.gz BEZWUUJCIJRUHB-UHFFFAOYSA-N 2 2 374.479 3.874 20 0 FHADLP Clc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc2c1OCCCO2 ZINC000475566539 946679273 /nfs/dbraw/zinc/67/92/73/946679273.db2.gz ORQLHKISLMDVAN-UHFFFAOYSA-N 2 2 350.890 3.608 20 0 FHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314790533 946771195 /nfs/dbraw/zinc/77/11/95/946771195.db2.gz CHYJHHOARKRMNP-AWEZNQCLSA-N 2 2 361.511 3.622 20 0 FHADLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892415 /nfs/dbraw/zinc/89/24/15/946892415.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 3 2 367.581 3.846 20 0 FHADLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892430 /nfs/dbraw/zinc/89/24/30/946892430.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 3 2 367.581 3.846 20 0 FHADLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892442 /nfs/dbraw/zinc/89/24/42/946892442.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 3 2 367.581 3.846 20 0 FHADLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167995002 946892452 /nfs/dbraw/zinc/89/24/52/946892452.db2.gz SVPAPURZCSZHID-CYZFVCCVSA-N 3 2 367.581 3.846 20 0 FHADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432257199 946993083 /nfs/dbraw/zinc/99/30/83/946993083.db2.gz GBAZBPIPUFYTFL-HNNXBMFYSA-N 2 2 371.333 3.911 20 0 FHADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432257199 946993091 /nfs/dbraw/zinc/99/30/91/946993091.db2.gz GBAZBPIPUFYTFL-HNNXBMFYSA-N 2 2 371.333 3.911 20 0 FHADLP CC[NH+](CC)CC1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000444567622 947006802 /nfs/dbraw/zinc/00/68/02/947006802.db2.gz AECPURBNVSHQTR-UHFFFAOYSA-N 2 2 364.440 3.569 20 0 FHADLP Cc1cc(Br)cn2c(CNc3[nH+]ccn3CC(C)C)c[nH+]c12 ZINC000508474805 947047546 /nfs/dbraw/zinc/04/75/46/947047546.db2.gz RNGCHKRBVRVMBG-UHFFFAOYSA-N 2 2 362.275 3.870 20 0 FHADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684657 947220325 /nfs/dbraw/zinc/22/03/25/947220325.db2.gz AECKJHNNBGVXOK-PZJWPPBQSA-N 2 2 351.494 3.577 20 0 FHADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684657 947220333 /nfs/dbraw/zinc/22/03/33/947220333.db2.gz AECKJHNNBGVXOK-PZJWPPBQSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684657 947220340 /nfs/dbraw/zinc/22/03/40/947220340.db2.gz AECKJHNNBGVXOK-PZJWPPBQSA-N 2 2 351.494 3.577 20 0 FHADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)CC[C@H]21 ZINC000245684657 947220349 /nfs/dbraw/zinc/22/03/49/947220349.db2.gz AECKJHNNBGVXOK-PZJWPPBQSA-N 2 2 351.494 3.577 20 0 FHADLP COCC[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301201648 947230541 /nfs/dbraw/zinc/23/05/41/947230541.db2.gz WSSRQTVBYMQNTN-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP OCC1(Cc2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000444793776 947232298 /nfs/dbraw/zinc/23/22/98/947232298.db2.gz SYQZKRDASCXXNG-UHFFFAOYSA-N 2 2 361.489 3.690 20 0 FHADLP CC1CCC(N(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000523445494 947274532 /nfs/dbraw/zinc/27/45/32/947274532.db2.gz LMLIJILGTQBPNV-GPJFCIFZSA-N 2 2 361.574 3.506 20 0 FHADLP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C2CC2)CC1 ZINC000523445494 947274540 /nfs/dbraw/zinc/27/45/40/947274540.db2.gz LMLIJILGTQBPNV-GPJFCIFZSA-N 2 2 361.574 3.506 20 0 FHADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)c2ccccc2[nH+]1 ZINC000301317109 947280950 /nfs/dbraw/zinc/28/09/50/947280950.db2.gz OEIYSNCWFHGOSU-UHFFFAOYSA-N 2 2 352.869 3.914 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000301387687 947321901 /nfs/dbraw/zinc/32/19/01/947321901.db2.gz WSPUMDDLIKGHSK-KRWDZBQOSA-N 2 2 367.493 3.866 20 0 FHADLP Oc1cccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC000301404211 947328746 /nfs/dbraw/zinc/32/87/46/947328746.db2.gz KQWMCBNAHXGKJF-UHFFFAOYSA-N 2 2 353.853 3.916 20 0 FHADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000165268551 947582272 /nfs/dbraw/zinc/58/22/72/947582272.db2.gz VZNVVMRBQWXBJG-GHTZIAJQSA-N 2 2 362.521 3.914 20 0 FHADLP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c21 ZINC000165268551 947582275 /nfs/dbraw/zinc/58/22/75/947582275.db2.gz VZNVVMRBQWXBJG-GHTZIAJQSA-N 2 2 362.521 3.914 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806699 /nfs/dbraw/zinc/80/66/99/947806699.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 3 2 373.560 3.544 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000663343800 947806708 /nfs/dbraw/zinc/80/67/08/947806708.db2.gz FMBQFFMRZDJUNS-NRFANRHFSA-N 3 2 373.560 3.544 20 0 FHADLP O[C@@](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)(c1ccccc1)C(F)(F)F ZINC000162929411 947882924 /nfs/dbraw/zinc/88/29/24/947882924.db2.gz TUFHRQWISQQKMM-IBGZPJMESA-N 2 2 370.459 3.823 20 0 FHADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000165340831 947907494 /nfs/dbraw/zinc/90/74/94/947907494.db2.gz PVUJHZBECQVPPI-NRFANRHFSA-N 2 2 374.488 3.708 20 0 FHADLP C[C@H]1C[N@H+](Cc2cccc(CNc3[nH+]ccc4c(N)cccc43)c2)CCO1 ZINC000663425605 948006753 /nfs/dbraw/zinc/00/67/53/948006753.db2.gz CRGXQVNWGFJKAX-INIZCTEOSA-N 2 2 362.477 3.650 20 0 FHADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3[nH+]ccc4c(N)cccc43)c2)CCO1 ZINC000663425605 948006756 /nfs/dbraw/zinc/00/67/56/948006756.db2.gz CRGXQVNWGFJKAX-INIZCTEOSA-N 2 2 362.477 3.650 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190593111 948117016 /nfs/dbraw/zinc/11/70/16/948117016.db2.gz JRAGQPNODXVKKL-INIZCTEOSA-N 2 2 373.360 3.662 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343866 948175906 /nfs/dbraw/zinc/17/59/06/948175906.db2.gz AFYIKXJNOORLCW-KRWDZBQOSA-N 2 2 365.949 3.531 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343866 948175910 /nfs/dbraw/zinc/17/59/10/948175910.db2.gz AFYIKXJNOORLCW-KRWDZBQOSA-N 2 2 365.949 3.531 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088702 948392220 /nfs/dbraw/zinc/39/22/20/948392220.db2.gz POTQGPSHYSFWMN-QGZVFWFLSA-N 3 2 372.582 3.869 20 0 FHADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088702 948392227 /nfs/dbraw/zinc/39/22/27/948392227.db2.gz POTQGPSHYSFWMN-QGZVFWFLSA-N 3 2 372.582 3.869 20 0 FHADLP CC1CC[NH+]([C@@H](CNCc2ncc(C[NH+](C)C)s2)c2ccccc2)CC1 ZINC000512101524 948419783 /nfs/dbraw/zinc/41/97/83/948419783.db2.gz ZWWVVAWIMXZGJQ-FQEVSTJZSA-N 2 2 372.582 3.768 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)s1 ZINC000512117482 948465094 /nfs/dbraw/zinc/46/50/94/948465094.db2.gz WHBIEUMAJZMBBX-UHFFFAOYSA-N 2 2 373.444 3.573 20 0 FHADLP Cc1cnn(C)c1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000512133979 948510271 /nfs/dbraw/zinc/51/02/71/948510271.db2.gz XJZFPMGWRJZYQS-UHFFFAOYSA-N 2 2 371.488 3.930 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143021 948539124 /nfs/dbraw/zinc/53/91/24/948539124.db2.gz CMDIFHLXXDYZRJ-KRWDZBQOSA-N 3 2 372.582 3.726 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143021 948539129 /nfs/dbraw/zinc/53/91/29/948539129.db2.gz CMDIFHLXXDYZRJ-KRWDZBQOSA-N 3 2 372.582 3.726 20 0 FHADLP CC(C)(C)CC(=O)N1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110672 948646484 /nfs/dbraw/zinc/64/64/84/948646484.db2.gz SWUPVBZORMHHNJ-IYARVYRRSA-N 2 2 372.557 3.585 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000078704564 210221952 /nfs/dbraw/zinc/22/19/52/210221952.db2.gz RZYPZEPFGUZCRV-HZPDHXFCSA-N 2 2 358.452 3.532 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000078704564 210221956 /nfs/dbraw/zinc/22/19/56/210221956.db2.gz RZYPZEPFGUZCRV-HZPDHXFCSA-N 2 2 358.452 3.532 20 0 FHADLP COc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645175 210121776 /nfs/dbraw/zinc/12/17/76/210121776.db2.gz SBVJUQJCLFRECI-DJPFJPOOSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645175 210121778 /nfs/dbraw/zinc/12/17/78/210121778.db2.gz SBVJUQJCLFRECI-DJPFJPOOSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645175 210121781 /nfs/dbraw/zinc/12/17/81/210121781.db2.gz SBVJUQJCLFRECI-DJPFJPOOSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645175 210121783 /nfs/dbraw/zinc/12/17/83/210121783.db2.gz SBVJUQJCLFRECI-DJPFJPOOSA-N 2 2 356.514 3.505 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000601934180 567879963 /nfs/dbraw/zinc/87/99/63/567879963.db2.gz OFWLWVMVDDVECE-HOTGVXAUSA-N 2 2 371.481 3.544 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000601934180 567879964 /nfs/dbraw/zinc/87/99/64/567879964.db2.gz OFWLWVMVDDVECE-HOTGVXAUSA-N 2 2 371.481 3.544 20 0 FHADLP COc1cc(-c2nc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cs2)ccc1O ZINC000602240683 567955273 /nfs/dbraw/zinc/95/52/73/567955273.db2.gz NOIUUWJRTRPEBL-INIZCTEOSA-N 2 2 370.478 3.558 20 0 FHADLP COc1cc(-c2nc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cs2)ccc1O ZINC000602240683 567955275 /nfs/dbraw/zinc/95/52/75/567955275.db2.gz NOIUUWJRTRPEBL-INIZCTEOSA-N 2 2 370.478 3.558 20 0 FHADLP CCC[C@@](C)(O)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000602278070 567962673 /nfs/dbraw/zinc/96/26/73/567962673.db2.gz GDMXCUVLABPFMH-JOCHJYFZSA-N 2 2 367.493 3.862 20 0 FHADLP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)on1 ZINC000602547061 567990336 /nfs/dbraw/zinc/99/03/36/567990336.db2.gz PFRCMUMGXCUWEU-UHFFFAOYSA-N 2 2 371.481 3.517 20 0 FHADLP CCCCCN(CCCCC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208681 568225854 /nfs/dbraw/zinc/22/58/54/568225854.db2.gz KSXLYTTYIAVOOZ-IBGZPJMESA-N 2 2 366.594 3.547 20 0 FHADLP CCCCCN(CCCCC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208681 568225855 /nfs/dbraw/zinc/22/58/55/568225855.db2.gz KSXLYTTYIAVOOZ-IBGZPJMESA-N 2 2 366.594 3.547 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220011 568230418 /nfs/dbraw/zinc/23/04/18/568230418.db2.gz GHGUATNJMFPSKQ-OALUTQOASA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220011 568230419 /nfs/dbraw/zinc/23/04/19/568230419.db2.gz GHGUATNJMFPSKQ-OALUTQOASA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220010 568230427 /nfs/dbraw/zinc/23/04/27/568230427.db2.gz GHGUATNJMFPSKQ-MOPGFXCFSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220010 568230428 /nfs/dbraw/zinc/23/04/28/568230428.db2.gz GHGUATNJMFPSKQ-MOPGFXCFSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000604333035 568251380 /nfs/dbraw/zinc/25/13/80/568251380.db2.gz OSARIUCEIHMBSY-MRXNPFEDSA-N 2 2 353.466 3.642 20 0 FHADLP CCc1noc(C2CCC([NH2+]Cc3ccccc3Cn3cc[nH+]c3)CC2)n1 ZINC000365280374 568405541 /nfs/dbraw/zinc/40/55/41/568405541.db2.gz OSGKRWKPZMPABM-UHFFFAOYSA-N 2 2 365.481 3.693 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816500 720113293 /nfs/dbraw/zinc/11/32/93/720113293.db2.gz ZGOZFRBDFKNHMP-REWPJTCUSA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816500 720113295 /nfs/dbraw/zinc/11/32/95/720113295.db2.gz ZGOZFRBDFKNHMP-REWPJTCUSA-N 2 2 365.521 3.728 20 0 FHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164791983 721494119 /nfs/dbraw/zinc/49/41/19/721494119.db2.gz IILOCKZXLGPOJU-UHFFFAOYSA-N 2 2 371.916 3.593 20 0 FHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N)cc(Cl)[nH+]1)CC2 ZINC001164791983 721494122 /nfs/dbraw/zinc/49/41/22/721494122.db2.gz IILOCKZXLGPOJU-UHFFFAOYSA-N 2 2 371.916 3.593 20 0 FHADLP Cc1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C)c(C)[nH+]1 ZINC001164796811 721502022 /nfs/dbraw/zinc/50/20/22/721502022.db2.gz YXAXFJLDYVKMJR-UHFFFAOYSA-N 2 2 365.525 3.678 20 0 FHADLP Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C)c(C)[nH+]1 ZINC001164796811 721502024 /nfs/dbraw/zinc/50/20/24/721502024.db2.gz YXAXFJLDYVKMJR-UHFFFAOYSA-N 2 2 365.525 3.678 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165022190 721827546 /nfs/dbraw/zinc/82/75/46/721827546.db2.gz GPNHGGHPXNFTAB-TYPHKJRUSA-N 2 2 365.525 3.534 20 0 FHADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001165022190 721827547 /nfs/dbraw/zinc/82/75/47/721827547.db2.gz GPNHGGHPXNFTAB-TYPHKJRUSA-N 2 2 365.525 3.534 20 0 FHADLP O[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000052005625 936321095 /nfs/dbraw/zinc/32/10/95/936321095.db2.gz GMNDJNUOLLQYCB-GOSISDBHSA-N 2 2 356.432 3.689 20 0 FHADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]C3CCCC3)CC2)c1 ZINC000327337671 936384339 /nfs/dbraw/zinc/38/43/39/936384339.db2.gz FTVGQPPQMCKBHD-UHFFFAOYSA-N 2 2 355.448 3.750 20 0 FHADLP COc1ccc2oc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2c1 ZINC000123420393 937145833 /nfs/dbraw/zinc/14/58/33/937145833.db2.gz DERYRXDBSZLCEH-UHFFFAOYSA-N 2 2 366.461 3.563 20 0 FHADLP CCC(CC)(CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000654785224 927306833 /nfs/dbraw/zinc/30/68/33/927306833.db2.gz DTQQNSMTWXQPRR-SJORKVTESA-N 2 2 356.514 3.614 20 0 FHADLP CCC(CC)(CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+][C@@H](C)c1ccccc1 ZINC000654785224 927306840 /nfs/dbraw/zinc/30/68/40/927306840.db2.gz DTQQNSMTWXQPRR-SJORKVTESA-N 2 2 356.514 3.614 20 0 FHADLP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)c2nc3ccccc3s2)CC1 ZINC000683141677 927440957 /nfs/dbraw/zinc/44/09/57/927440957.db2.gz QFPIDSUSDYXBFC-QGZVFWFLSA-N 2 2 360.571 3.707 20 0 FHADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166285 927487834 /nfs/dbraw/zinc/48/78/34/927487834.db2.gz OACOKBAHWXPHBM-HSZRJFAPSA-N 2 2 366.553 3.757 20 0 FHADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166285 927487845 /nfs/dbraw/zinc/48/78/45/927487845.db2.gz OACOKBAHWXPHBM-HSZRJFAPSA-N 2 2 366.553 3.757 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166285 927487849 /nfs/dbraw/zinc/48/78/49/927487849.db2.gz OACOKBAHWXPHBM-HSZRJFAPSA-N 2 2 366.553 3.757 20 0 FHADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166285 927487852 /nfs/dbraw/zinc/48/78/52/927487852.db2.gz OACOKBAHWXPHBM-HSZRJFAPSA-N 2 2 366.553 3.757 20 0 FHADLP FC(F)(F)c1cccnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000683221457 928296137 /nfs/dbraw/zinc/29/61/37/928296137.db2.gz ZJCUBQDUTNKHLV-UHFFFAOYSA-N 2 2 352.404 3.989 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471164929 928407073 /nfs/dbraw/zinc/40/70/73/928407073.db2.gz KCLDUOHPFNBCLB-MJGOQNOKSA-N 2 2 371.525 3.635 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471164929 928407080 /nfs/dbraw/zinc/40/70/80/928407080.db2.gz KCLDUOHPFNBCLB-MJGOQNOKSA-N 2 2 371.525 3.635 20 0 FHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168926 928465868 /nfs/dbraw/zinc/46/58/68/928465868.db2.gz JSWIXPUZXZMPSA-PXNSSMCTSA-N 2 2 368.525 3.665 20 0 FHADLP CC(C)Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168926 928465886 /nfs/dbraw/zinc/46/58/86/928465886.db2.gz JSWIXPUZXZMPSA-PXNSSMCTSA-N 2 2 368.525 3.665 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182874 928670285 /nfs/dbraw/zinc/67/02/85/928670285.db2.gz OPXVAGIGHDCWFZ-QWHCGFSZSA-N 2 2 366.387 3.635 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471182874 928670289 /nfs/dbraw/zinc/67/02/89/928670289.db2.gz OPXVAGIGHDCWFZ-QWHCGFSZSA-N 2 2 366.387 3.635 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109268099 928954034 /nfs/dbraw/zinc/95/40/34/928954034.db2.gz JHFUHIDEXQSUGP-FQEVSTJZSA-N 2 2 364.424 3.615 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109268099 928954042 /nfs/dbraw/zinc/95/40/42/928954042.db2.gz JHFUHIDEXQSUGP-FQEVSTJZSA-N 2 2 364.424 3.615 20 0 FHADLP Cc1cc(C)c(NC(=O)CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c(C)c1 ZINC000137315557 929118164 /nfs/dbraw/zinc/11/81/64/929118164.db2.gz HKMYANZHYTUVST-UHFFFAOYSA-N 2 2 354.498 3.864 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(SC(F)F)c(OC)c2)CC1 ZINC000154880197 929445028 /nfs/dbraw/zinc/44/50/28/929445028.db2.gz FEWUDMXMQOFUOF-ZDUSSCGKSA-N 2 2 374.497 3.771 20 0 FHADLP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1F ZINC000180302706 929452918 /nfs/dbraw/zinc/45/29/18/929452918.db2.gz AWPDIRQPFVSDSC-OAQYLSRUSA-N 2 2 372.484 3.778 20 0 FHADLP CC[N@H+](CCOCC1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533111 929602234 /nfs/dbraw/zinc/60/22/34/929602234.db2.gz RJGWIANACZENEK-UHFFFAOYSA-N 2 2 360.546 3.626 20 0 FHADLP CC[N@@H+](CCOCC1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533533111 929602241 /nfs/dbraw/zinc/60/22/41/929602241.db2.gz RJGWIANACZENEK-UHFFFAOYSA-N 2 2 360.546 3.626 20 0 FHADLP FC(F)(F)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000657751029 937346722 /nfs/dbraw/zinc/34/67/22/937346722.db2.gz NEIZMPCGRRDGEU-CQSZACIVSA-N 2 2 362.823 3.702 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286452 937348979 /nfs/dbraw/zinc/34/89/79/937348979.db2.gz ZNGYTEPRZQSNGP-QUCCMNQESA-N 2 2 352.526 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286452 937348982 /nfs/dbraw/zinc/34/89/82/937348982.db2.gz ZNGYTEPRZQSNGP-QUCCMNQESA-N 2 2 352.526 3.782 20 0 FHADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cccnc3Cl)cc2)CC1 ZINC000160313318 929703181 /nfs/dbraw/zinc/70/31/81/929703181.db2.gz OUCWKBRDLGQYSX-KRWDZBQOSA-N 2 2 372.944 3.723 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000583336624 937356561 /nfs/dbraw/zinc/35/65/61/937356561.db2.gz VUSULDLUNKHBSL-MOPGFXCFSA-N 2 2 370.493 3.638 20 0 FHADLP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000583336624 937356562 /nfs/dbraw/zinc/35/65/62/937356562.db2.gz VUSULDLUNKHBSL-MOPGFXCFSA-N 2 2 370.493 3.638 20 0 FHADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000160345311 930032555 /nfs/dbraw/zinc/03/25/55/930032555.db2.gz NTBVYFLJNMGTCA-KRWDZBQOSA-N 2 2 372.944 3.723 20 0 FHADLP C[C@]1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@H+](Cc2ccccc2)C1 ZINC000382340916 930039362 /nfs/dbraw/zinc/03/93/62/930039362.db2.gz YLRPDMSWPDVIDP-OAQYLSRUSA-N 2 2 368.912 3.990 20 0 FHADLP C[C@]1(C[NH2+]Cc2cn3cc(Cl)ccc3n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000382340916 930039369 /nfs/dbraw/zinc/03/93/69/930039369.db2.gz YLRPDMSWPDVIDP-OAQYLSRUSA-N 2 2 368.912 3.990 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325347 930504877 /nfs/dbraw/zinc/50/48/77/930504877.db2.gz XGTOYXAWOYDWSX-SFTDATJTSA-N 2 2 354.469 3.646 20 0 FHADLP OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325347 930504883 /nfs/dbraw/zinc/50/48/83/930504883.db2.gz XGTOYXAWOYDWSX-SFTDATJTSA-N 2 2 354.469 3.646 20 0 FHADLP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001167392542 930625954 /nfs/dbraw/zinc/62/59/54/930625954.db2.gz GBHRGKHLHLWHBH-YSTOQKLRSA-N 2 2 372.557 3.774 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000656255495 930892016 /nfs/dbraw/zinc/89/20/16/930892016.db2.gz NRTJCEIQDJJIKZ-UTKZUKDTSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000656255495 930892024 /nfs/dbraw/zinc/89/20/24/930892024.db2.gz NRTJCEIQDJJIKZ-UTKZUKDTSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000656255495 930892028 /nfs/dbraw/zinc/89/20/28/930892028.db2.gz NRTJCEIQDJJIKZ-UTKZUKDTSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000656255495 930892033 /nfs/dbraw/zinc/89/20/33/930892033.db2.gz NRTJCEIQDJJIKZ-UTKZUKDTSA-N 2 2 368.500 3.769 20 0 FHADLP c1ccc(C[C@@H]2CC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326269 /nfs/dbraw/zinc/32/62/69/931326269.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326273 /nfs/dbraw/zinc/32/62/73/931326273.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326277 /nfs/dbraw/zinc/32/62/77/931326277.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@@H]2CC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907550 931326282 /nfs/dbraw/zinc/32/62/82/931326282.db2.gz ORXYKIDEZLXNBV-XZOQPEGZSA-N 2 2 350.506 3.595 20 0 FHADLP Clc1ccc(OCc2nc(C[NH2+]CCCn3cc[nH+]c3)cs2)cc1 ZINC000066608832 931717746 /nfs/dbraw/zinc/71/77/46/931717746.db2.gz AGUORYUSYCRTMJ-UHFFFAOYSA-N 2 2 362.886 3.752 20 0 FHADLP CCCCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313362 931816662 /nfs/dbraw/zinc/81/66/62/931816662.db2.gz CLHCCLNLZCKHSM-ZWKOTPCHSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581313362 931816667 /nfs/dbraw/zinc/81/66/67/931816667.db2.gz CLHCCLNLZCKHSM-ZWKOTPCHSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581313362 931816675 /nfs/dbraw/zinc/81/66/75/931816675.db2.gz CLHCCLNLZCKHSM-ZWKOTPCHSA-N 2 2 365.587 3.505 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581313362 931816682 /nfs/dbraw/zinc/81/66/82/931816682.db2.gz CLHCCLNLZCKHSM-ZWKOTPCHSA-N 2 2 365.587 3.505 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560405 931847018 /nfs/dbraw/zinc/84/70/18/931847018.db2.gz WATUCEBMGVBNLB-FFZOFVMBSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560405 931847026 /nfs/dbraw/zinc/84/70/26/931847026.db2.gz WATUCEBMGVBNLB-FFZOFVMBSA-N 2 2 362.477 3.885 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000430572903 931914899 /nfs/dbraw/zinc/91/48/99/931914899.db2.gz PLHGRXAWODFCOT-AWEZNQCLSA-N 2 2 352.693 3.548 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000581404594 931969798 /nfs/dbraw/zinc/96/97/98/931969798.db2.gz NMLRXXKVKODLMF-INIZCTEOSA-N 2 2 360.461 3.667 20 0 FHADLP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@H+]1CCc1c[nH+]cn1C)OCCO3 ZINC000581575051 932261426 /nfs/dbraw/zinc/26/14/26/932261426.db2.gz ZGFHHUOYJLQTRO-MRXNPFEDSA-N 2 2 367.493 3.622 20 0 FHADLP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCc1c[nH+]cn1C)OCCO3 ZINC000581575051 932261432 /nfs/dbraw/zinc/26/14/32/932261432.db2.gz ZGFHHUOYJLQTRO-MRXNPFEDSA-N 2 2 367.493 3.622 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000090184748 932277573 /nfs/dbraw/zinc/27/75/73/932277573.db2.gz OIRBXKYNSOMERK-SFHVURJKSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000090184748 932277578 /nfs/dbraw/zinc/27/75/78/932277578.db2.gz OIRBXKYNSOMERK-SFHVURJKSA-N 2 2 356.514 3.768 20 0 FHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246578908 932575558 /nfs/dbraw/zinc/57/55/58/932575558.db2.gz CNVXFEDRLOYNIP-BLLLJJGKSA-N 2 2 367.280 3.712 20 0 FHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246578908 932575559 /nfs/dbraw/zinc/57/55/59/932575559.db2.gz CNVXFEDRLOYNIP-BLLLJJGKSA-N 2 2 367.280 3.712 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC23CC3)cc1 ZINC000647176314 932589899 /nfs/dbraw/zinc/58/98/99/932589899.db2.gz BNXXDWQHCDXJEU-NRFANRHFSA-N 3 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH+](C4CCC4)CC3)CC23CC3)cc1 ZINC000647176314 932589905 /nfs/dbraw/zinc/58/99/05/932589905.db2.gz BNXXDWQHCDXJEU-NRFANRHFSA-N 3 2 353.554 3.790 20 0 FHADLP C[N@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196770 932946160 /nfs/dbraw/zinc/94/61/60/932946160.db2.gz MJUILZRKNKFFAM-FYYLOGMGSA-N 2 2 361.533 3.960 20 0 FHADLP C[N@@H+]1Cc2ccccc2[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196770 932946162 /nfs/dbraw/zinc/94/61/62/932946162.db2.gz MJUILZRKNKFFAM-FYYLOGMGSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196770 932946166 /nfs/dbraw/zinc/94/61/66/932946166.db2.gz MJUILZRKNKFFAM-FYYLOGMGSA-N 2 2 361.533 3.960 20 0 FHADLP C[NH+]1Cc2ccccc2[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647196770 932946168 /nfs/dbraw/zinc/94/61/68/932946168.db2.gz MJUILZRKNKFFAM-FYYLOGMGSA-N 2 2 361.533 3.960 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336231 933011595 /nfs/dbraw/zinc/01/15/95/933011595.db2.gz CEGOBNNDXMAQNP-KRWDZBQOSA-N 2 2 366.509 3.771 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336231 933011600 /nfs/dbraw/zinc/01/16/00/933011600.db2.gz CEGOBNNDXMAQNP-KRWDZBQOSA-N 2 2 366.509 3.771 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000430693497 933037555 /nfs/dbraw/zinc/03/75/55/933037555.db2.gz HBHCSRJZNCZEFK-OAQYLSRUSA-N 2 2 372.472 3.539 20 0 FHADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+](C)C ZINC000510528921 933189058 /nfs/dbraw/zinc/18/90/58/933189058.db2.gz ZIJRYNQVWRGKFZ-LAUBAEHRSA-N 2 2 362.477 3.602 20 0 FHADLP CC1=C(c2ccco2)C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510619982 933302340 /nfs/dbraw/zinc/30/23/40/933302340.db2.gz PRDVMZBKIHXZOL-UHFFFAOYSA-N 2 2 365.521 3.971 20 0 FHADLP CC1=C(c2ccco2)C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510619982 933302345 /nfs/dbraw/zinc/30/23/45/933302345.db2.gz PRDVMZBKIHXZOL-UHFFFAOYSA-N 2 2 365.521 3.971 20 0 FHADLP Cc1cccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(F)c2)c1 ZINC000510722331 933522038 /nfs/dbraw/zinc/52/20/38/933522038.db2.gz ORTHXHFUCFCFRT-QFIPXVFZSA-N 2 2 356.485 3.660 20 0 FHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000891842161 933560010 /nfs/dbraw/zinc/56/00/10/933560010.db2.gz KANULURFEKVVAV-UHFFFAOYSA-N 2 2 370.497 3.745 20 0 FHADLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000891875046 933762243 /nfs/dbraw/zinc/76/22/43/933762243.db2.gz CMMMNSABVOCXJM-UHFFFAOYSA-N 2 2 361.530 3.674 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)CC2CCCC2)o1 ZINC000510906089 934006106 /nfs/dbraw/zinc/00/61/06/934006106.db2.gz VZCUJAIXFJEDOH-UHFFFAOYSA-N 2 2 352.276 3.931 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2CCCC2)o1 ZINC000510906089 934006110 /nfs/dbraw/zinc/00/61/10/934006110.db2.gz VZCUJAIXFJEDOH-UHFFFAOYSA-N 2 2 352.276 3.931 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[NH+]3[C@H](C)CC[C@H]3C)n2)cn1 ZINC000276927530 934023570 /nfs/dbraw/zinc/02/35/70/934023570.db2.gz NSAZGECOWNGNGT-MCIONIFRSA-N 2 2 352.442 3.560 20 0 FHADLP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000092563965 934093297 /nfs/dbraw/zinc/09/32/97/934093297.db2.gz CBABWHTYTCNGQP-UHFFFAOYSA-N 2 2 355.482 3.862 20 0 FHADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610796329 934221686 /nfs/dbraw/zinc/22/16/86/934221686.db2.gz ARWYTBWBAKBREQ-HNNXBMFYSA-N 2 2 369.250 3.619 20 0 FHADLP Cc1cccc(CCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000181138859 934577957 /nfs/dbraw/zinc/57/79/57/934577957.db2.gz URLWADXQUYGXRB-UHFFFAOYSA-N 2 2 351.538 3.962 20 0 FHADLP Cc1cccc(CCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000181138859 934577962 /nfs/dbraw/zinc/57/79/62/934577962.db2.gz URLWADXQUYGXRB-UHFFFAOYSA-N 2 2 351.538 3.962 20 0 FHADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1Br ZINC000150948878 934741681 /nfs/dbraw/zinc/74/16/81/934741681.db2.gz VXXQMQLMHPCJNG-OCCSQVGLSA-N 2 2 364.287 3.628 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000277195657 934801909 /nfs/dbraw/zinc/80/19/09/934801909.db2.gz MBVDBRDBZZLBMJ-UHFFFAOYSA-N 2 2 357.433 3.547 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000277195657 934801913 /nfs/dbraw/zinc/80/19/13/934801913.db2.gz MBVDBRDBZZLBMJ-UHFFFAOYSA-N 2 2 357.433 3.547 20 0 FHADLP CCNc1nc(C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001167499713 934810590 /nfs/dbraw/zinc/81/05/90/934810590.db2.gz NPGGACALGGFNCN-UHFFFAOYSA-N 2 2 359.543 3.708 20 0 FHADLP CCNc1nc(C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC001167499713 934810596 /nfs/dbraw/zinc/81/05/96/934810596.db2.gz NPGGACALGGFNCN-UHFFFAOYSA-N 2 2 359.543 3.708 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)C[C@H](C)O1 ZINC000472046613 934890847 /nfs/dbraw/zinc/89/08/47/934890847.db2.gz AUPATHYVOMVPCI-OKILXGFUSA-N 2 2 365.930 3.696 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)C[C@H](C)O1 ZINC000472046613 934890854 /nfs/dbraw/zinc/89/08/54/934890854.db2.gz AUPATHYVOMVPCI-OKILXGFUSA-N 2 2 365.930 3.696 20 0 FHADLP CCCOc1ccc(OCC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536367961 934921225 /nfs/dbraw/zinc/92/12/25/934921225.db2.gz FBUMQKIMLBPJRZ-UHFFFAOYSA-N 2 2 355.482 3.826 20 0 FHADLP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000657305980 935051767 /nfs/dbraw/zinc/05/17/67/935051767.db2.gz WPVBHQVIEKMDIW-GOSISDBHSA-N 2 2 365.477 3.635 20 0 FHADLP CCCOc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000657315375 935164264 /nfs/dbraw/zinc/16/42/64/935164264.db2.gz SBYGMNRCBBVQPY-UHFFFAOYSA-N 2 2 368.521 3.906 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665277 935212454 /nfs/dbraw/zinc/21/24/54/935212454.db2.gz XJIAWLBMPGYQNH-RHSMWYFYSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665277 935212455 /nfs/dbraw/zinc/21/24/55/935212455.db2.gz XJIAWLBMPGYQNH-RHSMWYFYSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1=O ZINC000518164710 945091399 /nfs/dbraw/zinc/09/13/99/945091399.db2.gz VSFDNVCLDSSCKE-LYARXQMPSA-N 2 2 367.468 3.612 20 0 FHADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cnn1-c1ccccn1 ZINC000152225291 935317640 /nfs/dbraw/zinc/31/76/40/935317640.db2.gz OUVDTVZNUAMGLE-INIZCTEOSA-N 2 2 358.449 3.612 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000582175401 935373872 /nfs/dbraw/zinc/37/38/72/935373872.db2.gz FYPKTNPXHDGDLY-QRWLVFNGSA-N 2 2 355.457 3.698 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582443716 935715336 /nfs/dbraw/zinc/71/53/36/935715336.db2.gz BIEHMTIVECDZQN-VQTJNVASSA-N 2 2 363.590 3.752 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582443716 935715340 /nfs/dbraw/zinc/71/53/40/935715340.db2.gz BIEHMTIVECDZQN-VQTJNVASSA-N 2 2 363.590 3.752 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000431429256 935782224 /nfs/dbraw/zinc/78/22/24/935782224.db2.gz YJVODKYUTSXARR-SJLPKXTDSA-N 2 2 360.383 3.848 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000431429256 935782226 /nfs/dbraw/zinc/78/22/26/935782226.db2.gz YJVODKYUTSXARR-SJLPKXTDSA-N 2 2 360.383 3.848 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)s2)CC1 ZINC000159081488 935795793 /nfs/dbraw/zinc/79/57/93/935795793.db2.gz AQUROTPCODYPNK-GFCCVEGCSA-N 2 2 361.349 3.662 20 0 FHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000582538974 935809876 /nfs/dbraw/zinc/80/98/76/935809876.db2.gz MWTQIJIHPHBOHG-UHFFFAOYSA-N 2 2 371.916 3.920 20 0 FHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000582538974 935809879 /nfs/dbraw/zinc/80/98/79/935809879.db2.gz MWTQIJIHPHBOHG-UHFFFAOYSA-N 2 2 371.916 3.920 20 0 FHADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCc1ccc(F)cc1 ZINC000237242817 935868525 /nfs/dbraw/zinc/86/85/25/935868525.db2.gz NKXIKCNIYACMMS-IBGZPJMESA-N 2 2 358.457 3.597 20 0 FHADLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCc1ccc(F)cc1 ZINC000237242817 935868530 /nfs/dbraw/zinc/86/85/30/935868530.db2.gz NKXIKCNIYACMMS-IBGZPJMESA-N 2 2 358.457 3.597 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C[NH3+] ZINC000582727594 936003096 /nfs/dbraw/zinc/00/30/96/936003096.db2.gz LKOAVOYHXFZZFB-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@@H]1C[NH3+] ZINC000582727594 936003097 /nfs/dbraw/zinc/00/30/97/936003097.db2.gz LKOAVOYHXFZZFB-JSGCOSHPSA-N 2 2 364.287 3.521 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106214019 945138942 /nfs/dbraw/zinc/13/89/42/945138942.db2.gz LNZMZOSLNKLTPE-HKUYNNGSSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000106214019 945138945 /nfs/dbraw/zinc/13/89/45/945138945.db2.gz LNZMZOSLNKLTPE-HKUYNNGSSA-N 2 2 354.498 3.726 20 0 FHADLP CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1OC ZINC000075758025 936018976 /nfs/dbraw/zinc/01/89/76/936018976.db2.gz FOYULAZNJYQVFQ-UHFFFAOYSA-N 2 2 351.450 3.629 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000075758120 936019327 /nfs/dbraw/zinc/01/93/27/936019327.db2.gz IPJOAPXERCLABE-UHFFFAOYSA-N 2 2 357.461 3.715 20 0 FHADLP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316729 936044620 /nfs/dbraw/zinc/04/46/20/936044620.db2.gz BHJGVIZTXDTIBM-UHFFFAOYSA-N 2 2 366.509 3.776 20 0 FHADLP CC[NH+](CC)Cc1c(Br)cccc1NCc1cc[nH+]c(N)c1 ZINC001167618669 936138954 /nfs/dbraw/zinc/13/89/54/936138954.db2.gz LYOAQDNISPOAFX-UHFFFAOYSA-N 2 2 363.303 3.880 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156358083 938251695 /nfs/dbraw/zinc/25/16/95/938251695.db2.gz SXDNRZQWCXSQOU-GCJKJVERSA-N 2 2 362.521 3.996 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCc1c[nH]c2ccccc12 ZINC000156358083 938251697 /nfs/dbraw/zinc/25/16/97/938251697.db2.gz SXDNRZQWCXSQOU-GCJKJVERSA-N 2 2 362.521 3.996 20 0 FHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H]1c1ccccc1 ZINC000583455067 938259867 /nfs/dbraw/zinc/25/98/67/938259867.db2.gz MMMWJESUYSRBSB-DHIUTWEWSA-N 2 2 360.505 3.857 20 0 FHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@@H]1c1ccccc1 ZINC000583455067 938259869 /nfs/dbraw/zinc/25/98/69/938259869.db2.gz MMMWJESUYSRBSB-DHIUTWEWSA-N 2 2 360.505 3.857 20 0 FHADLP CN(CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000151029756 938286538 /nfs/dbraw/zinc/28/65/38/938286538.db2.gz JGCBMUXXHSQMNS-UHFFFAOYSA-N 2 2 369.528 3.554 20 0 FHADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564630 938306446 /nfs/dbraw/zinc/30/64/46/938306446.db2.gz ZOZQSXZXUCUFNJ-LJQANCHMSA-N 2 2 366.553 3.832 20 0 FHADLP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583564630 938306450 /nfs/dbraw/zinc/30/64/50/938306450.db2.gz ZOZQSXZXUCUFNJ-LJQANCHMSA-N 2 2 366.553 3.832 20 0 FHADLP CC[NH+]1CCC([NH2+]C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000647315084 938492656 /nfs/dbraw/zinc/49/26/56/938492656.db2.gz GFNPCDIVTLRTGT-UHFFFAOYSA-N 2 2 353.304 3.521 20 0 FHADLP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151308281 938523275 /nfs/dbraw/zinc/52/32/75/938523275.db2.gz YGGXYNFABNANPF-MRXNPFEDSA-N 2 2 351.450 3.799 20 0 FHADLP COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000151308229 938523310 /nfs/dbraw/zinc/52/33/10/938523310.db2.gz YGGXYNFABNANPF-INIZCTEOSA-N 2 2 351.450 3.799 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2ccnc2)cc1 ZINC000151343180 938530483 /nfs/dbraw/zinc/53/04/83/938530483.db2.gz SXGVRHXPROFMSC-SFHVURJKSA-N 2 2 357.461 3.968 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825728 938582768 /nfs/dbraw/zinc/58/27/68/938582768.db2.gz BRYWZPGHFHXBGI-HNNXBMFYSA-N 2 2 374.326 3.943 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1 ZINC000657825728 938582769 /nfs/dbraw/zinc/58/27/69/938582769.db2.gz BRYWZPGHFHXBGI-HNNXBMFYSA-N 2 2 374.326 3.943 20 0 FHADLP Cc1ccc([C@@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000584165996 938624578 /nfs/dbraw/zinc/62/45/78/938624578.db2.gz NZQMABVOKFEWNK-OAQYLSRUSA-N 2 2 366.509 3.643 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cn1 ZINC000584266734 938665020 /nfs/dbraw/zinc/66/50/20/938665020.db2.gz SJGRFHLVJNBPPD-CYBMUJFWSA-N 2 2 357.255 3.881 20 0 FHADLP C[N@H+](Cc1cc(Cl)cc2c1OCOC2)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968456 938710762 /nfs/dbraw/zinc/71/07/62/938710762.db2.gz ZZZUQYDNSYVUAH-UHFFFAOYSA-N 2 2 373.884 3.702 20 0 FHADLP C[N@@H+](Cc1cc(Cl)cc2c1OCOC2)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968456 938710763 /nfs/dbraw/zinc/71/07/63/938710763.db2.gz ZZZUQYDNSYVUAH-UHFFFAOYSA-N 2 2 373.884 3.702 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584382745 938790048 /nfs/dbraw/zinc/79/00/48/938790048.db2.gz JYKRXYGQSGNKFH-LJQANCHMSA-N 2 2 360.933 3.942 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584382745 938790049 /nfs/dbraw/zinc/79/00/49/938790049.db2.gz JYKRXYGQSGNKFH-LJQANCHMSA-N 2 2 360.933 3.942 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584382745 938790050 /nfs/dbraw/zinc/79/00/50/938790050.db2.gz JYKRXYGQSGNKFH-LJQANCHMSA-N 2 2 360.933 3.942 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000584382745 938790051 /nfs/dbraw/zinc/79/00/51/938790051.db2.gz JYKRXYGQSGNKFH-LJQANCHMSA-N 2 2 360.933 3.942 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000090666667 938881477 /nfs/dbraw/zinc/88/14/77/938881477.db2.gz HUMUTNQCVHQCRT-PBHICJAKSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000090666667 938881481 /nfs/dbraw/zinc/88/14/81/938881481.db2.gz HUMUTNQCVHQCRT-PBHICJAKSA-N 2 2 366.431 3.582 20 0 FHADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000092043795 938910038 /nfs/dbraw/zinc/91/00/38/938910038.db2.gz MVAQDYXXCHEBMO-UYAOXDASSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000092043795 938910039 /nfs/dbraw/zinc/91/00/39/938910039.db2.gz MVAQDYXXCHEBMO-UYAOXDASSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000092043795 938910041 /nfs/dbraw/zinc/91/00/41/938910041.db2.gz MVAQDYXXCHEBMO-UYAOXDASSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000092043795 938910044 /nfs/dbraw/zinc/91/00/44/938910044.db2.gz MVAQDYXXCHEBMO-UYAOXDASSA-N 2 2 370.566 3.696 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093866257 938930848 /nfs/dbraw/zinc/93/08/48/938930848.db2.gz WONFIXUAJZFAGV-MRXNPFEDSA-N 2 2 364.392 3.735 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OC(F)F ZINC000093866257 938930849 /nfs/dbraw/zinc/93/08/49/938930849.db2.gz WONFIXUAJZFAGV-MRXNPFEDSA-N 2 2 364.392 3.735 20 0 FHADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093404242 938933518 /nfs/dbraw/zinc/93/35/18/938933518.db2.gz IPLFUPZTAPJTIW-PKOBYXMFSA-N 2 2 363.571 3.512 20 0 FHADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093404242 938933520 /nfs/dbraw/zinc/93/35/20/938933520.db2.gz IPLFUPZTAPJTIW-PKOBYXMFSA-N 2 2 363.571 3.512 20 0 FHADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093404243 938933611 /nfs/dbraw/zinc/93/36/11/938933611.db2.gz IPLFUPZTAPJTIW-IEBWSBKVSA-N 2 2 363.571 3.512 20 0 FHADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000093404243 938933614 /nfs/dbraw/zinc/93/36/14/938933614.db2.gz IPLFUPZTAPJTIW-IEBWSBKVSA-N 2 2 363.571 3.512 20 0 FHADLP Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000685448140 938987715 /nfs/dbraw/zinc/98/77/15/938987715.db2.gz QUZFISOPNYXCKD-HXUWFJFHSA-N 2 2 370.497 3.580 20 0 FHADLP Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000685448140 938987716 /nfs/dbraw/zinc/98/77/16/938987716.db2.gz QUZFISOPNYXCKD-HXUWFJFHSA-N 2 2 370.497 3.580 20 0 FHADLP CN(Cc1csc(Cl)c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457114 938987945 /nfs/dbraw/zinc/98/79/45/938987945.db2.gz DPUUVOGJIYHAJN-AWEZNQCLSA-N 2 2 362.370 3.655 20 0 FHADLP CN(Cc1csc(Cl)c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457114 938987946 /nfs/dbraw/zinc/98/79/46/938987946.db2.gz DPUUVOGJIYHAJN-AWEZNQCLSA-N 2 2 362.370 3.655 20 0 FHADLP Cc1ccncc1C[NH+]1CCCC2(CCC[N@@H+](Cc3cnccc3C)C2)C1 ZINC000685593201 939003102 /nfs/dbraw/zinc/00/31/02/939003102.db2.gz NFSUEWJGGIVBGN-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Cc1ccncc1C[NH+]1CCCC2(CCC[N@H+](Cc3cnccc3C)C2)C1 ZINC000685593201 939003103 /nfs/dbraw/zinc/00/31/03/939003103.db2.gz NFSUEWJGGIVBGN-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP FC(F)(F)c1cc(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000685629704 939006320 /nfs/dbraw/zinc/00/63/20/939006320.db2.gz OKIXZXHHZMGTKE-GFCCVEGCSA-N 2 2 374.204 3.838 20 0 FHADLP FC(F)(F)Oc1cccc([C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000685662292 939010268 /nfs/dbraw/zinc/01/02/68/939010268.db2.gz IQJJVINRMLBLDZ-CXAGYDPISA-N 2 2 351.372 3.907 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059175 939020310 /nfs/dbraw/zinc/02/03/10/939020310.db2.gz VOUGVQCYBZOOOO-HIFRSBDPSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059175 939020311 /nfs/dbraw/zinc/02/03/11/939020311.db2.gz VOUGVQCYBZOOOO-HIFRSBDPSA-N 2 2 367.921 3.528 20 0 FHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055841 939020908 /nfs/dbraw/zinc/02/09/08/939020908.db2.gz JPMYIEXYQFFKDA-CABCVRRESA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055841 939020909 /nfs/dbraw/zinc/02/09/09/939020909.db2.gz JPMYIEXYQFFKDA-CABCVRRESA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658055381 939020918 /nfs/dbraw/zinc/02/09/18/939020918.db2.gz IELUFLDDFDWHPM-GDBMZVCRSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658055381 939020919 /nfs/dbraw/zinc/02/09/19/939020919.db2.gz IELUFLDDFDWHPM-GDBMZVCRSA-N 2 2 351.922 3.828 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091855 939022411 /nfs/dbraw/zinc/02/24/11/939022411.db2.gz NOMDVIQPXBAMBD-QAPCUYQASA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091855 939022412 /nfs/dbraw/zinc/02/24/12/939022412.db2.gz NOMDVIQPXBAMBD-QAPCUYQASA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cccnc3N3CCCC3)CC2)C1 ZINC000658101094 939026071 /nfs/dbraw/zinc/02/60/71/939026071.db2.gz MJLGPJLLIHSDIZ-GHTZIAJQSA-N 2 2 356.558 3.815 20 0 FHADLP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138793 939041842 /nfs/dbraw/zinc/04/18/42/939041842.db2.gz OFHVSSBATIZMFX-NHCUHLMSSA-N 2 2 374.475 3.609 20 0 FHADLP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](CCc3ccccc3)C(F)F)cc2)C1 ZINC000658138793 939041847 /nfs/dbraw/zinc/04/18/47/939041847.db2.gz OFHVSSBATIZMFX-NHCUHLMSSA-N 2 2 374.475 3.609 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1F ZINC000658225485 939072587 /nfs/dbraw/zinc/07/25/87/939072587.db2.gz TWSWZGXZYBTYIM-GUDVDZBRSA-N 2 2 369.484 3.620 20 0 FHADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1F ZINC000658225485 939072592 /nfs/dbraw/zinc/07/25/92/939072592.db2.gz TWSWZGXZYBTYIM-GUDVDZBRSA-N 2 2 369.484 3.620 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294020 939100227 /nfs/dbraw/zinc/10/02/27/939100227.db2.gz LHEFCXYLCNBBBQ-HKUYNNGSSA-N 2 2 364.917 3.705 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000658294039 939100289 /nfs/dbraw/zinc/10/02/89/939100289.db2.gz FAEIUTPFBPKWRW-QCEMKRCNSA-N 2 2 354.947 3.736 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000658293879 939100450 /nfs/dbraw/zinc/10/04/50/939100450.db2.gz JTCYYBSZYZBMBF-DOMZBBRYSA-N 2 2 374.859 3.845 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000658317434 939109742 /nfs/dbraw/zinc/10/97/42/939109742.db2.gz KUWNLSNVWYVGRD-QFBILLFUSA-N 2 2 366.534 3.734 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nsc2ccccc12 ZINC000658317434 939109746 /nfs/dbraw/zinc/10/97/46/939109746.db2.gz KUWNLSNVWYVGRD-QFBILLFUSA-N 2 2 366.534 3.734 20 0 FHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421848167 939132726 /nfs/dbraw/zinc/13/27/26/939132726.db2.gz ADIJDKPZRBKNAU-MRXNPFEDSA-N 2 2 352.869 3.958 20 0 FHADLP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507495756 945267177 /nfs/dbraw/zinc/26/71/77/945267177.db2.gz NHNXFHZPRJIKLE-ZBFHGGJFSA-N 2 2 350.469 3.834 20 0 FHADLP Clc1ccccc1Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647480129 940057387 /nfs/dbraw/zinc/05/73/87/940057387.db2.gz CDIFTBIIYYNRDT-ICSRJNTNSA-N 2 2 358.917 3.549 20 0 FHADLP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647480129 940057395 /nfs/dbraw/zinc/05/73/95/940057395.db2.gz CDIFTBIIYYNRDT-ICSRJNTNSA-N 2 2 358.917 3.549 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431800951 940602981 /nfs/dbraw/zinc/60/29/81/940602981.db2.gz XZYCVEJWQVZGDV-PXNSSMCTSA-N 2 2 371.550 3.646 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472585123 940969227 /nfs/dbraw/zinc/96/92/27/940969227.db2.gz WLKZJVVAQMMKBG-GHTZIAJQSA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472585123 940969230 /nfs/dbraw/zinc/96/92/30/940969230.db2.gz WLKZJVVAQMMKBG-GHTZIAJQSA-N 2 2 365.512 3.908 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC000163691591 941548483 /nfs/dbraw/zinc/54/84/83/941548483.db2.gz UGNJOZUKNAMGLT-MRXNPFEDSA-N 2 2 358.457 3.517 20 0 FHADLP CC1(C)C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cc(N)ccc2O1 ZINC000415042279 941561408 /nfs/dbraw/zinc/56/14/08/941561408.db2.gz UUMINZZAQYXXQX-GOSISDBHSA-N 2 2 352.482 3.525 20 0 FHADLP COc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000415075259 941586218 /nfs/dbraw/zinc/58/62/18/941586218.db2.gz BEIXWMFIROCIBK-QVKFZJNVSA-N 2 2 358.457 3.522 20 0 FHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Cl)c1 ZINC000472775919 941749052 /nfs/dbraw/zinc/74/90/52/941749052.db2.gz VMUWSLFMRYTICS-NBHGPNQESA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cccc(Cl)c1 ZINC000472775919 941749055 /nfs/dbraw/zinc/74/90/55/941749055.db2.gz VMUWSLFMRYTICS-NBHGPNQESA-N 2 2 358.913 3.874 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000513228437 941788047 /nfs/dbraw/zinc/78/80/47/941788047.db2.gz WSPUYHVQWGSTTN-IBGZPJMESA-N 2 2 369.475 3.657 20 0 FHADLP FC(F)(F)CC[NH+]1CCC(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000513228437 941788051 /nfs/dbraw/zinc/78/80/51/941788051.db2.gz WSPUYHVQWGSTTN-IBGZPJMESA-N 2 2 369.475 3.657 20 0 FHADLP COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000513362258 941868695 /nfs/dbraw/zinc/86/86/95/941868695.db2.gz XXOXOFCZNQROQM-HXUWFJFHSA-N 2 2 363.461 3.924 20 0 FHADLP COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000513362258 941868698 /nfs/dbraw/zinc/86/86/98/941868698.db2.gz XXOXOFCZNQROQM-HXUWFJFHSA-N 2 2 363.461 3.924 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000377716075 941928011 /nfs/dbraw/zinc/92/80/11/941928011.db2.gz FCNADYBQJCJQBH-KRWDZBQOSA-N 2 2 351.454 3.721 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000377716075 941928014 /nfs/dbraw/zinc/92/80/14/941928014.db2.gz FCNADYBQJCJQBH-KRWDZBQOSA-N 2 2 351.454 3.721 20 0 FHADLP c1cn(Cc2ccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)cc2)c[nH+]1 ZINC000513516839 941977444 /nfs/dbraw/zinc/97/74/44/941977444.db2.gz BJLNKNGCWQYUMQ-QHCPKHFHSA-N 2 2 369.472 3.795 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000377797180 941993950 /nfs/dbraw/zinc/99/39/50/941993950.db2.gz ZGCYNRUHWUOEJN-MSOLQXFVSA-N 2 2 356.432 3.913 20 0 FHADLP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513530381 941999714 /nfs/dbraw/zinc/99/97/14/941999714.db2.gz MQHJYUGQAODUOZ-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C1CC[NH+](CCO)CC1 ZINC000513530381 941999717 /nfs/dbraw/zinc/99/97/17/941999717.db2.gz MQHJYUGQAODUOZ-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942051991 /nfs/dbraw/zinc/05/19/91/942051991.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 2 2 352.526 3.838 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942051996 /nfs/dbraw/zinc/05/19/96/942051996.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 2 2 352.526 3.838 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942052000 /nfs/dbraw/zinc/05/20/00/942052000.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 2 2 352.526 3.838 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434024010 942052006 /nfs/dbraw/zinc/05/20/06/942052006.db2.gz GOHSNNJAUJHTRL-IWGASYPISA-N 2 2 352.526 3.838 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000182092771 942204773 /nfs/dbraw/zinc/20/47/73/942204773.db2.gz JJIRHBXQGUNJBI-CYBMUJFWSA-N 2 2 353.388 3.615 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000182092771 942204775 /nfs/dbraw/zinc/20/47/75/942204775.db2.gz JJIRHBXQGUNJBI-CYBMUJFWSA-N 2 2 353.388 3.615 20 0 FHADLP Oc1ccc(C2=CC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420906805 942248201 /nfs/dbraw/zinc/24/82/01/942248201.db2.gz TXSOLZYPJGCPNE-UHFFFAOYSA-N 2 2 364.489 3.514 20 0 FHADLP Oc1ccc(C2=CC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000420906805 942248207 /nfs/dbraw/zinc/24/82/07/942248207.db2.gz TXSOLZYPJGCPNE-UHFFFAOYSA-N 2 2 364.489 3.514 20 0 FHADLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1Br ZINC000500989059 942249155 /nfs/dbraw/zinc/24/91/55/942249155.db2.gz KOZLKDSTYNRDHT-HNNXBMFYSA-N 2 2 362.315 3.946 20 0 FHADLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1Br ZINC000500989059 942249159 /nfs/dbraw/zinc/24/91/59/942249159.db2.gz KOZLKDSTYNRDHT-HNNXBMFYSA-N 2 2 362.315 3.946 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420911892 942251102 /nfs/dbraw/zinc/25/11/02/942251102.db2.gz GSIDIQJQDABDQX-BHDDXSALSA-N 2 2 372.553 3.544 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000420911892 942251104 /nfs/dbraw/zinc/25/11/04/942251104.db2.gz GSIDIQJQDABDQX-BHDDXSALSA-N 2 2 372.553 3.544 20 0 FHADLP Cc1csc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCCC2)n1 ZINC000420933418 942262107 /nfs/dbraw/zinc/26/21/07/942262107.db2.gz ITNGQHPHGLJUPJ-UHFFFAOYSA-N 2 2 371.550 3.843 20 0 FHADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000501091578 942303071 /nfs/dbraw/zinc/30/30/71/942303071.db2.gz WMVVAARDPDHBJG-UHFFFAOYSA-N 2 2 358.357 3.841 20 0 FHADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2c(Cl)cccc2Cl)CC1 ZINC000501091578 942303076 /nfs/dbraw/zinc/30/30/76/942303076.db2.gz WMVVAARDPDHBJG-UHFFFAOYSA-N 2 2 358.357 3.841 20 0 FHADLP C/C=C/c1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421108919 942349176 /nfs/dbraw/zinc/34/91/76/942349176.db2.gz LSYXWNJGSHVUQE-ZZXKWVIFSA-N 2 2 370.541 3.744 20 0 FHADLP C/C=C/c1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421108919 942349182 /nfs/dbraw/zinc/34/91/82/942349182.db2.gz LSYXWNJGSHVUQE-ZZXKWVIFSA-N 2 2 370.541 3.744 20 0 FHADLP CCC[NH+]1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000502323159 942354327 /nfs/dbraw/zinc/35/43/27/942354327.db2.gz UEWFEMBYMFSXET-INIZCTEOSA-N 2 2 353.304 3.737 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n2c1CCCC2 ZINC000502313470 942361989 /nfs/dbraw/zinc/36/19/89/942361989.db2.gz CCXHHJKXSFPUFM-SFHVURJKSA-N 2 2 361.493 3.989 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n2c1CCCC2 ZINC000502313470 942361994 /nfs/dbraw/zinc/36/19/94/942361994.db2.gz CCXHHJKXSFPUFM-SFHVURJKSA-N 2 2 361.493 3.989 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205350 942387788 /nfs/dbraw/zinc/38/77/88/942387788.db2.gz VVQKHNRWYLDWLM-CVEARBPZSA-N 2 2 365.481 3.881 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205350 942387791 /nfs/dbraw/zinc/38/77/91/942387791.db2.gz VVQKHNRWYLDWLM-CVEARBPZSA-N 2 2 365.481 3.881 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCC[C@H](c4cccnc4)C3)[nH+]c2)C1 ZINC000502434901 942451397 /nfs/dbraw/zinc/45/13/97/942451397.db2.gz MKESAZDBLVLHOL-HFSMHLIXSA-N 2 2 365.525 3.755 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1C ZINC000502454506 942458096 /nfs/dbraw/zinc/45/80/96/942458096.db2.gz SUFNCAVVFAHELD-QGZVFWFLSA-N 2 2 352.482 3.804 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1C ZINC000502454506 942458102 /nfs/dbraw/zinc/45/81/02/942458102.db2.gz SUFNCAVVFAHELD-QGZVFWFLSA-N 2 2 352.482 3.804 20 0 FHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1C ZINC000502454504 942458568 /nfs/dbraw/zinc/45/85/68/942458568.db2.gz SUFNCAVVFAHELD-KRWDZBQOSA-N 2 2 352.482 3.804 20 0 FHADLP Cc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1C ZINC000502454504 942458569 /nfs/dbraw/zinc/45/85/69/942458569.db2.gz SUFNCAVVFAHELD-KRWDZBQOSA-N 2 2 352.482 3.804 20 0 FHADLP Cc1nc(COc2ccc(C[NH2+]C[C@H]([NH3+])c3ccccc3)cc2)cs1 ZINC000414831244 942489378 /nfs/dbraw/zinc/48/93/78/942489378.db2.gz MXIFWPSCPNOZBI-FQEVSTJZSA-N 2 2 353.491 3.820 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345409 942626919 /nfs/dbraw/zinc/62/69/19/942626919.db2.gz WDYDRHNEJPZKSA-MLGOLLRUSA-N 2 2 370.324 3.784 20 0 FHADLP Cc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348302 942627846 /nfs/dbraw/zinc/62/78/46/942627846.db2.gz KSAJNEYBNDIGSS-HXUWFJFHSA-N 2 2 356.901 3.681 20 0 FHADLP Cc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420348302 942627849 /nfs/dbraw/zinc/62/78/49/942627849.db2.gz KSAJNEYBNDIGSS-HXUWFJFHSA-N 2 2 356.901 3.681 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420362450 942638774 /nfs/dbraw/zinc/63/87/74/942638774.db2.gz OIIKURTVTXDODH-LRDDRELGSA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420362450 942638776 /nfs/dbraw/zinc/63/87/76/942638776.db2.gz OIIKURTVTXDODH-LRDDRELGSA-N 2 2 359.297 3.529 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cnn(C2CCCC2)c1 ZINC000502685690 942659559 /nfs/dbraw/zinc/65/95/59/942659559.db2.gz ROSZXVXCLVNMEE-GOSISDBHSA-N 2 2 368.525 3.681 20 0 FHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378368794 942664515 /nfs/dbraw/zinc/66/45/15/942664515.db2.gz IKOYOMJKCRWCNP-MSOLQXFVSA-N 2 2 368.525 3.503 20 0 FHADLP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378368794 942664516 /nfs/dbraw/zinc/66/45/16/942664516.db2.gz IKOYOMJKCRWCNP-MSOLQXFVSA-N 2 2 368.525 3.503 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(Cl)c1Cl ZINC000434470642 942690077 /nfs/dbraw/zinc/69/00/77/942690077.db2.gz OWRMILLEHYKBHJ-OIISXLGYSA-N 2 2 357.325 3.719 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(Cl)c1Cl ZINC000434470642 942690082 /nfs/dbraw/zinc/69/00/82/942690082.db2.gz OWRMILLEHYKBHJ-OIISXLGYSA-N 2 2 357.325 3.719 20 0 FHADLP Cc1csc(N2CCC([NH2+]C[C@H]([NH3+])c3ccc(C(C)C)cc3)CC2)n1 ZINC000414846540 942725232 /nfs/dbraw/zinc/72/52/32/942725232.db2.gz NKMXHXIZLQVCCP-IBGZPJMESA-N 2 2 358.555 3.833 20 0 FHADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421828908 942836105 /nfs/dbraw/zinc/83/61/05/942836105.db2.gz FYRXNDMHOHQLJB-AWEZNQCLSA-N 2 2 356.913 3.889 20 0 FHADLP C[N@H+](CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000425147845 942874167 /nfs/dbraw/zinc/87/41/67/942874167.db2.gz RTLXZROYYWFPLX-HXUWFJFHSA-N 2 2 368.525 3.703 20 0 FHADLP C[N@@H+](CCCNC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000425147845 942874170 /nfs/dbraw/zinc/87/41/70/942874170.db2.gz RTLXZROYYWFPLX-HXUWFJFHSA-N 2 2 368.525 3.703 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727966 942897493 /nfs/dbraw/zinc/89/74/93/942897493.db2.gz QUOYJNICCPVALH-BULFRSBZSA-N 2 2 370.516 3.952 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727966 942897494 /nfs/dbraw/zinc/89/74/94/942897494.db2.gz QUOYJNICCPVALH-BULFRSBZSA-N 2 2 370.516 3.952 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727966 942897496 /nfs/dbraw/zinc/89/74/96/942897496.db2.gz QUOYJNICCPVALH-BULFRSBZSA-N 2 2 370.516 3.952 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727966 942897497 /nfs/dbraw/zinc/89/74/97/942897497.db2.gz QUOYJNICCPVALH-BULFRSBZSA-N 2 2 370.516 3.952 20 0 FHADLP CC[C@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422018733 942954088 /nfs/dbraw/zinc/95/40/88/942954088.db2.gz KOONSZMLDPQDFW-HXUWFJFHSA-N 2 2 371.569 3.589 20 0 FHADLP CC[C@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422018733 942954092 /nfs/dbraw/zinc/95/40/92/942954092.db2.gz KOONSZMLDPQDFW-HXUWFJFHSA-N 2 2 371.569 3.589 20 0 FHADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218116 943002755 /nfs/dbraw/zinc/00/27/55/943002755.db2.gz XMDLWHGOUTYONY-PMACEKPBSA-N 2 2 368.525 3.558 20 0 FHADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425218116 943002757 /nfs/dbraw/zinc/00/27/57/943002757.db2.gz XMDLWHGOUTYONY-PMACEKPBSA-N 2 2 368.525 3.558 20 0 FHADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055424 943016611 /nfs/dbraw/zinc/01/66/11/943016611.db2.gz YHLCUKBSOINYTE-PLNCSYRRSA-N 2 2 355.295 3.764 20 0 FHADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)C1 ZINC000430055424 943016618 /nfs/dbraw/zinc/01/66/18/943016618.db2.gz YHLCUKBSOINYTE-PLNCSYRRSA-N 2 2 355.295 3.764 20 0 FHADLP CCn1nccc1C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000435029515 943113376 /nfs/dbraw/zinc/11/33/76/943113376.db2.gz MYVYUYDMDXUOHH-UHFFFAOYSA-N 2 2 373.570 3.506 20 0 FHADLP CCn1nccc1C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000435029515 943113382 /nfs/dbraw/zinc/11/33/82/943113382.db2.gz MYVYUYDMDXUOHH-UHFFFAOYSA-N 2 2 373.570 3.506 20 0 FHADLP CCCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000435054689 943128289 /nfs/dbraw/zinc/12/82/89/943128289.db2.gz FHWRYSKBDSTXME-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000435054689 943128294 /nfs/dbraw/zinc/12/82/94/943128294.db2.gz FHWRYSKBDSTXME-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C12CCCC2 ZINC000151984650 943138267 /nfs/dbraw/zinc/13/82/67/943138267.db2.gz PVSHCLFRBXOTFU-FYZZASKESA-N 2 2 357.542 3.619 20 0 FHADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C12CCCC2 ZINC000151984650 943138271 /nfs/dbraw/zinc/13/82/71/943138271.db2.gz PVSHCLFRBXOTFU-FYZZASKESA-N 2 2 357.542 3.619 20 0 FHADLP O=C(Nc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1)c1ccccc1Cl ZINC000422565563 943184007 /nfs/dbraw/zinc/18/40/07/943184007.db2.gz ZHLGJKSYICJZSF-UHFFFAOYSA-N 2 2 369.896 3.920 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000422638485 943207435 /nfs/dbraw/zinc/20/74/35/943207435.db2.gz QJWKZYLRNHHCNZ-LVCYWYKZSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000422638485 943207440 /nfs/dbraw/zinc/20/74/40/943207440.db2.gz QJWKZYLRNHHCNZ-LVCYWYKZSA-N 2 2 365.521 3.521 20 0 FHADLP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000272716588 943208108 /nfs/dbraw/zinc/20/81/08/943208108.db2.gz YVPRBAKDWMFUFM-ZWKOTPCHSA-N 2 2 356.470 3.574 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[NH2+]2)cc1 ZINC000422704127 943239237 /nfs/dbraw/zinc/23/92/37/943239237.db2.gz OPBZAAGZOCIHKW-IRLDBZIGSA-N 2 2 364.493 3.587 20 0 FHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422731830 943249772 /nfs/dbraw/zinc/24/97/72/943249772.db2.gz MMPQMUMZZIZPDE-WMLDXEAASA-N 2 2 352.400 3.676 20 0 FHADLP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425303728 943256552 /nfs/dbraw/zinc/25/65/52/943256552.db2.gz MXOQVIVSINCEDA-HXUWFJFHSA-N 2 2 368.525 3.656 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660125342 943257102 /nfs/dbraw/zinc/25/71/02/943257102.db2.gz GVVUGHKEFDKGEO-FQEVSTJZSA-N 2 2 373.585 3.771 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660125342 943257106 /nfs/dbraw/zinc/25/71/06/943257106.db2.gz GVVUGHKEFDKGEO-FQEVSTJZSA-N 2 2 373.585 3.771 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727137 943261706 /nfs/dbraw/zinc/26/17/06/943261706.db2.gz GVYZEPOUMMMRCE-RCCFBDPRSA-N 2 2 355.448 3.529 20 0 FHADLP [NH3+][C@@H]1CCCCC[C@H]1N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000422727137 943261710 /nfs/dbraw/zinc/26/17/10/943261710.db2.gz GVYZEPOUMMMRCE-RCCFBDPRSA-N 2 2 355.448 3.529 20 0 FHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422737788 943265121 /nfs/dbraw/zinc/26/51/21/943265121.db2.gz ILORSEFFLVPKRC-DCGLDWPTSA-N 2 2 363.502 3.675 20 0 FHADLP COc1ccc([C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422743599 943268639 /nfs/dbraw/zinc/26/86/39/943268639.db2.gz ULOPRWVAVWCQSI-PKTZIBPZSA-N 2 2 365.521 3.747 20 0 FHADLP Fc1ccccc1Oc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1F ZINC000422779319 943279938 /nfs/dbraw/zinc/27/99/38/943279938.db2.gz FWNJJFHPZDLUDY-SFTDATJTSA-N 2 2 374.431 3.614 20 0 FHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503592658 943280100 /nfs/dbraw/zinc/28/01/00/943280100.db2.gz OPTNLASKQZGWNT-VQTJNVASSA-N 2 2 356.466 3.539 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422835963 943300544 /nfs/dbraw/zinc/30/05/44/943300544.db2.gz QKJVVCAZKMWIQH-BHIFYINESA-N 2 2 366.553 3.916 20 0 FHADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422836772 943301357 /nfs/dbraw/zinc/30/13/57/943301357.db2.gz RZSNZWASBXXLKP-TZIWHRDSSA-N 2 2 354.542 3.916 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(OC[C@@H]2CCCO2)c1 ZINC000422872609 943322025 /nfs/dbraw/zinc/32/20/25/943322025.db2.gz HUUWKHRGGLGMKT-DZFGPLHGSA-N 2 2 352.478 3.787 20 0 FHADLP COc1ccc(C[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913916 943329051 /nfs/dbraw/zinc/32/90/51/943329051.db2.gz ZKARTNXXUSFMCX-LSTHTHJFSA-N 2 2 354.494 3.718 20 0 FHADLP COc1ccc(C[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913912 943329178 /nfs/dbraw/zinc/32/91/78/943329178.db2.gz ZKARTNXXUSFMCX-AHRSYUTCSA-N 2 2 354.494 3.718 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1)C1C[NH2+]C1 ZINC000422893165 943330238 /nfs/dbraw/zinc/33/02/38/943330238.db2.gz PDPVPCCHBZMOAX-MNOVXSKESA-N 2 2 366.328 3.831 20 0 FHADLP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893164 943330353 /nfs/dbraw/zinc/33/03/53/943330353.db2.gz PDPVPCCHBZMOAX-GHMZBOCLSA-N 2 2 366.328 3.831 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000425341442 943336427 /nfs/dbraw/zinc/33/64/27/943336427.db2.gz XIRRJVJWHJJRGN-IFMALSPDSA-N 2 2 352.526 3.951 20 0 FHADLP CC(C)n1c[nH+]cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000425341442 943336432 /nfs/dbraw/zinc/33/64/32/943336432.db2.gz XIRRJVJWHJJRGN-IFMALSPDSA-N 2 2 352.526 3.951 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952923 943348076 /nfs/dbraw/zinc/34/80/76/943348076.db2.gz CSFBWTJTWGEMEE-BLIXFSHQSA-N 2 2 352.478 3.534 20 0 FHADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CN1c1ccccc1Cl ZINC000422955602 943349310 /nfs/dbraw/zinc/34/93/10/943349310.db2.gz JRQNXTZUTQRLPO-JENIJYKNSA-N 2 2 369.896 3.528 20 0 FHADLP COc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2OC)cc1 ZINC000422997442 943359620 /nfs/dbraw/zinc/35/96/20/943359620.db2.gz BBQHBBHZLATLNP-XSHPBHPISA-N 2 2 352.478 3.666 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008287 943363387 /nfs/dbraw/zinc/36/33/87/943363387.db2.gz ZRLLTYBFUROGNK-XMSQKQJNSA-N 3 2 363.509 3.754 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000423016085 943365203 /nfs/dbraw/zinc/36/52/03/943365203.db2.gz AYHMPFDPNFVIHO-SZXPJGKVSA-N 2 2 356.432 3.698 20 0 FHADLP COc1ccccc1[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccccn1 ZINC000423016969 943365550 /nfs/dbraw/zinc/36/55/50/943365550.db2.gz VETPTTYMFKEJRW-AOMKIAJQSA-N 2 2 362.477 3.693 20 0 FHADLP C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435379034 943367912 /nfs/dbraw/zinc/36/79/12/943367912.db2.gz HLKAGZPZXWJKOE-SWDXFRIISA-N 2 2 364.917 3.613 20 0 FHADLP C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435379034 943367916 /nfs/dbraw/zinc/36/79/16/943367916.db2.gz HLKAGZPZXWJKOE-SWDXFRIISA-N 2 2 364.917 3.613 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022897 943369464 /nfs/dbraw/zinc/36/94/64/943369464.db2.gz IMYLTRKAPRGFRW-JOQQVMPUSA-N 2 2 353.913 3.592 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391133 943378353 /nfs/dbraw/zinc/37/83/53/943378353.db2.gz RNOVUMKPFCCCDP-RVFJIUOTSA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435391133 943378358 /nfs/dbraw/zinc/37/83/58/943378358.db2.gz RNOVUMKPFCCCDP-RVFJIUOTSA-N 2 2 351.494 3.748 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080886 943387042 /nfs/dbraw/zinc/38/70/42/943387042.db2.gz TWPRXOCYRGVYEF-JMJGKCIBSA-N 2 2 366.505 3.856 20 0 FHADLP CCc1ccc(C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431234 943395713 /nfs/dbraw/zinc/39/57/13/943395713.db2.gz CHBCDJVUFVCCIE-HXUWFJFHSA-N 2 2 352.526 3.610 20 0 FHADLP CCc1ccc(C[N@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435431234 943395718 /nfs/dbraw/zinc/39/57/18/943395718.db2.gz CHBCDJVUFVCCIE-HXUWFJFHSA-N 2 2 352.526 3.610 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423107860 943403788 /nfs/dbraw/zinc/40/37/88/943403788.db2.gz FMYNYNUFNMUQPU-XMSQKQJNSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423107860 943403799 /nfs/dbraw/zinc/40/37/99/943403799.db2.gz FMYNYNUFNMUQPU-XMSQKQJNSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1 ZINC000423189027 943435779 /nfs/dbraw/zinc/43/57/79/943435779.db2.gz OMFYAXZIDGGJHZ-MRXNPFEDSA-N 2 2 367.472 3.545 20 0 FHADLP Clc1ccc2c(c1)[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CCS2 ZINC000423239669 943444391 /nfs/dbraw/zinc/44/43/91/943444391.db2.gz WGPVBSUCPQMDGT-INIZCTEOSA-N 2 2 360.914 3.794 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(C(F)(F)F)c1 ZINC000423223548 943449916 /nfs/dbraw/zinc/44/99/16/943449916.db2.gz AKHBTYPVICEHFJ-ZDUSSCGKSA-N 2 2 350.388 3.683 20 0 FHADLP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000423250826 943459573 /nfs/dbraw/zinc/45/95/73/943459573.db2.gz VPPBJBSVYXTKHJ-APWZRJJASA-N 2 2 369.509 3.825 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)CCC2 ZINC000423334483 943482723 /nfs/dbraw/zinc/48/27/23/943482723.db2.gz OZRVHYQFEACBCE-SCTDSRPQSA-N 2 2 371.550 3.827 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423397188 943501950 /nfs/dbraw/zinc/50/19/50/943501950.db2.gz ULKZQTMYAHIWJB-QFBILLFUSA-N 2 2 360.546 3.989 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423423099 943505872 /nfs/dbraw/zinc/50/58/72/943505872.db2.gz KSZNRUXHZFNYPL-XJKSGUPXSA-N 2 2 362.461 3.760 20 0 FHADLP COC[C@@]1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CCC[NH2+]1 ZINC000423415990 943511475 /nfs/dbraw/zinc/51/14/75/943511475.db2.gz FKGLWBSLYWQQEG-JXFKEZNVSA-N 2 2 357.523 3.546 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CCC[NH2+]1 ZINC000423417051 943512015 /nfs/dbraw/zinc/51/20/15/943512015.db2.gz GIPODJKQROCEJV-BFUOFWGJSA-N 2 2 363.502 3.677 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515886 943542716 /nfs/dbraw/zinc/54/27/16/943542716.db2.gz XNVUTKYUQYPPOI-VGOFRKELSA-N 3 2 355.526 3.540 20 0 FHADLP c1cc(-c2noc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2)co1 ZINC000435692572 943560437 /nfs/dbraw/zinc/56/04/37/943560437.db2.gz HCJNJZUXMIMAEG-MRXNPFEDSA-N 2 2 370.478 3.535 20 0 FHADLP c1cc(-c2noc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2)co1 ZINC000435692572 943560442 /nfs/dbraw/zinc/56/04/42/943560442.db2.gz HCJNJZUXMIMAEG-MRXNPFEDSA-N 2 2 370.478 3.535 20 0 FHADLP Cc1cc([C@@H](Cc2ccccc2Cl)[NH2+]C[C@H]2C[NH2+]CCO2)cs1 ZINC000423577009 943561657 /nfs/dbraw/zinc/56/16/57/943561657.db2.gz RRWHTCXWVBMVGV-SJLPKXTDSA-N 2 2 350.915 3.572 20 0 FHADLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)c1OC ZINC000584803041 943637081 /nfs/dbraw/zinc/63/70/81/943637081.db2.gz YDFCMZYNRYZQHZ-UHFFFAOYSA-N 2 2 355.413 3.627 20 0 FHADLP Cc1cc(F)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(F)c1 ZINC000424161350 943767682 /nfs/dbraw/zinc/76/76/82/943767682.db2.gz YCRFNJYHCAVRJX-UHFFFAOYSA-N 2 2 360.452 3.811 20 0 FHADLP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000424191480 943778528 /nfs/dbraw/zinc/77/85/28/943778528.db2.gz RDLMSJCPXIJHDP-UHFFFAOYSA-N 2 2 366.468 3.751 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000515327535 943791394 /nfs/dbraw/zinc/79/13/94/943791394.db2.gz WTVDRODXQRYDCS-GCJKJVERSA-N 2 2 366.505 3.736 20 0 FHADLP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc2ccccc21 ZINC000515329120 943791839 /nfs/dbraw/zinc/79/18/39/943791839.db2.gz CDBNEEHKXGETFY-MRXNPFEDSA-N 2 2 362.477 3.620 20 0 FHADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH2+][C@H](C)c4ccccc4)CCOCC3)C[C@H]2C1 ZINC000424312146 943838407 /nfs/dbraw/zinc/83/84/07/943838407.db2.gz LWFOOZBHOXGKIT-ICGSVKGVSA-N 2 2 372.553 3.680 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000516933354 943841847 /nfs/dbraw/zinc/84/18/47/943841847.db2.gz DBHQTMCWYSOSOI-IFXJQAMLSA-N 2 2 354.479 3.599 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000516933354 943841852 /nfs/dbraw/zinc/84/18/52/943841852.db2.gz DBHQTMCWYSOSOI-IFXJQAMLSA-N 2 2 354.479 3.599 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@@H](c4ccccc4)C3)[nH+]c2)C1 ZINC000437784343 944110575 /nfs/dbraw/zinc/11/05/75/944110575.db2.gz KARQQYDVFJSSFT-SFHLNBCPSA-N 2 2 350.510 3.970 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000515711887 944143633 /nfs/dbraw/zinc/14/36/33/944143633.db2.gz DTMPWAUGBBJQKD-UHFFFAOYSA-N 2 2 359.905 3.898 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000515711887 944143637 /nfs/dbraw/zinc/14/36/37/944143637.db2.gz DTMPWAUGBBJQKD-UHFFFAOYSA-N 2 2 359.905 3.898 20 0 FHADLP C[N@H+](CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1 ZINC000436281079 944160813 /nfs/dbraw/zinc/16/08/13/944160813.db2.gz ONVWXXUMDBQCQS-UHFFFAOYSA-N 2 2 366.484 3.682 20 0 FHADLP C[N@@H+](CCC[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1 ZINC000436281079 944160823 /nfs/dbraw/zinc/16/08/23/944160823.db2.gz ONVWXXUMDBQCQS-UHFFFAOYSA-N 2 2 366.484 3.682 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000437866270 944183399 /nfs/dbraw/zinc/18/33/99/944183399.db2.gz GYZONDZZMQOGAM-AEFFLSMTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000437866270 944183403 /nfs/dbraw/zinc/18/34/03/944183403.db2.gz GYZONDZZMQOGAM-AEFFLSMTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CC2 ZINC000437866270 944183409 /nfs/dbraw/zinc/18/34/09/944183409.db2.gz GYZONDZZMQOGAM-AEFFLSMTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000437866270 944183413 /nfs/dbraw/zinc/18/34/13/944183413.db2.gz GYZONDZZMQOGAM-AEFFLSMTSA-N 2 2 372.557 3.551 20 0 FHADLP CCCC[C@H](CC)C[NH+]1CC2(CN(C(=O)c3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001270287070 944225055 /nfs/dbraw/zinc/22/50/55/944225055.db2.gz YDRNOUWUDKZTII-INIZCTEOSA-N 2 2 354.498 3.537 20 0 FHADLP CCCC[C@@H](CC)C[NH+]1CC2(CN(C(=O)c3c[nH]c4cc[nH+]cc34)C2)C1 ZINC001270287071 944225434 /nfs/dbraw/zinc/22/54/34/944225434.db2.gz YDRNOUWUDKZTII-MRXNPFEDSA-N 2 2 354.498 3.537 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000414882996 944247282 /nfs/dbraw/zinc/24/72/82/944247282.db2.gz MMVBICKJNTVOKG-OALUTQOASA-N 2 2 362.420 3.532 20 0 FHADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957039 944399613 /nfs/dbraw/zinc/39/96/13/944399613.db2.gz GYHVZNMWYHDYOD-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957039 944399623 /nfs/dbraw/zinc/39/96/23/944399623.db2.gz GYHVZNMWYHDYOD-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425957039 944399629 /nfs/dbraw/zinc/39/96/29/944399629.db2.gz GYHVZNMWYHDYOD-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425957039 944399636 /nfs/dbraw/zinc/39/96/36/944399636.db2.gz GYHVZNMWYHDYOD-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583656 944515098 /nfs/dbraw/zinc/51/50/98/944515098.db2.gz FCTAJJLXFDQGTN-FYYLOGMGSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000390583656 944515105 /nfs/dbraw/zinc/51/51/05/944515105.db2.gz FCTAJJLXFDQGTN-FYYLOGMGSA-N 2 2 350.506 3.863 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592520 944534310 /nfs/dbraw/zinc/53/43/10/944534310.db2.gz SDINKUVBTVKGII-XLIONFOSSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592520 944534317 /nfs/dbraw/zinc/53/43/17/944534317.db2.gz SDINKUVBTVKGII-XLIONFOSSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000414928814 944569479 /nfs/dbraw/zinc/56/94/79/944569479.db2.gz NEYOVHXTRRHZKD-OAHLLOKOSA-N 2 2 354.885 3.689 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000516188934 944577844 /nfs/dbraw/zinc/57/78/44/944577844.db2.gz AZESAZUANIMDMT-KRWDZBQOSA-N 2 2 372.476 3.921 20 0 FHADLP Fc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000390645310 944610337 /nfs/dbraw/zinc/61/03/37/944610337.db2.gz IEFGBXOYDCEGMI-SFHVURJKSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1Cl ZINC000390645310 944610345 /nfs/dbraw/zinc/61/03/45/944610345.db2.gz IEFGBXOYDCEGMI-SFHVURJKSA-N 2 2 362.876 3.860 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638620724 944638237 /nfs/dbraw/zinc/63/82/37/944638237.db2.gz MJGDDKZNUXAYTR-BVYCBKJFSA-N 2 2 366.505 3.686 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638620724 944638247 /nfs/dbraw/zinc/63/82/47/944638247.db2.gz MJGDDKZNUXAYTR-BVYCBKJFSA-N 2 2 366.505 3.686 20 0 FHADLP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)C[NH3+])cc1 ZINC000414932295 944659013 /nfs/dbraw/zinc/65/90/13/944659013.db2.gz RTKDUDGCIBURNF-QGZVFWFLSA-N 2 2 364.493 3.763 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3nc(C)ccc3c2)cc1 ZINC000414892120 944688046 /nfs/dbraw/zinc/68/80/46/944688046.db2.gz WKGSRCLYRGPIPH-FYYLOGMGSA-N 2 2 361.489 3.787 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638739476 944694077 /nfs/dbraw/zinc/69/40/77/944694077.db2.gz SHTWBXSCSXIRSA-CBGDNZLLSA-N 2 2 352.526 3.617 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1csc(Cl)c1 ZINC000364443991 944720594 /nfs/dbraw/zinc/72/05/94/944720594.db2.gz ITHSVXJSBYYFEY-AHIWAGSCSA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1csc(Cl)c1 ZINC000364443991 944720601 /nfs/dbraw/zinc/72/06/01/944720601.db2.gz ITHSVXJSBYYFEY-AHIWAGSCSA-N 2 2 352.935 3.869 20 0 FHADLP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000426043926 944720901 /nfs/dbraw/zinc/72/09/01/944720901.db2.gz JUVNSDJTZPZPHM-RBUKOAKNSA-N 2 2 352.869 3.820 20 0 FHADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441674 944863686 /nfs/dbraw/zinc/86/36/86/944863686.db2.gz ACCLMNPLEAAIBJ-PZJWPPBQSA-N 2 2 352.526 3.763 20 0 FHADLP Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441674 944863692 /nfs/dbraw/zinc/86/36/92/944863692.db2.gz ACCLMNPLEAAIBJ-PZJWPPBQSA-N 2 2 352.526 3.763 20 0 FHADLP O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794490 944946165 /nfs/dbraw/zinc/94/61/65/944946165.db2.gz FFYFPTVNJWSFSG-OAQYLSRUSA-N 2 2 360.461 3.900 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc3ncccc3c2)cc1F ZINC000414945688 944978111 /nfs/dbraw/zinc/97/81/11/944978111.db2.gz IRFCUFGJGWDZKS-LAUBAEHRSA-N 2 2 353.416 3.748 20 0 FHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158859 945038496 /nfs/dbraw/zinc/03/84/96/945038496.db2.gz DIUMLQNGJYLDFY-SUMWQHHRSA-N 2 2 364.415 3.622 20 0 FHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158859 945038501 /nfs/dbraw/zinc/03/85/01/945038501.db2.gz DIUMLQNGJYLDFY-SUMWQHHRSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158859 945038511 /nfs/dbraw/zinc/03/85/11/945038511.db2.gz DIUMLQNGJYLDFY-SUMWQHHRSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@@H]2C1 ZINC000426158859 945038520 /nfs/dbraw/zinc/03/85/20/945038520.db2.gz DIUMLQNGJYLDFY-SUMWQHHRSA-N 2 2 364.415 3.622 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(c2nccs2)CC1 ZINC000511764497 945053422 /nfs/dbraw/zinc/05/34/22/945053422.db2.gz YASCASYVDWPBQC-UHFFFAOYSA-N 2 2 372.582 3.813 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(c2nccs2)CC1 ZINC000511764497 945053423 /nfs/dbraw/zinc/05/34/23/945053423.db2.gz YASCASYVDWPBQC-UHFFFAOYSA-N 2 2 372.582 3.813 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000511764497 945053435 /nfs/dbraw/zinc/05/34/35/945053435.db2.gz YASCASYVDWPBQC-UHFFFAOYSA-N 2 2 372.582 3.813 20 0 FHADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000511764497 945053445 /nfs/dbraw/zinc/05/34/45/945053445.db2.gz YASCASYVDWPBQC-UHFFFAOYSA-N 2 2 372.582 3.813 20 0 FHADLP Cc1cc(C)c(CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)c[nH+]1 ZINC000655551052 945054059 /nfs/dbraw/zinc/05/40/59/945054059.db2.gz ZLUJQBFCURAHPA-OAQYLSRUSA-N 2 2 366.509 3.725 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3cccnc3)C3CCC3)[nH+]c2)C1 ZINC000280948833 945476617 /nfs/dbraw/zinc/47/66/17/945476617.db2.gz TXANNPLTVUQDRD-TZIWHRDSSA-N 2 2 351.498 3.570 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000281029799 945502170 /nfs/dbraw/zinc/50/21/70/945502170.db2.gz PBNNWLPJPJUOPF-KSFYIVLOSA-N 2 2 351.494 3.980 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(F)c1 ZINC000187843215 945608020 /nfs/dbraw/zinc/60/80/20/945608020.db2.gz PFOMNZMHSQTAAV-JOCHJYFZSA-N 2 2 372.484 3.778 20 0 FHADLP CC(C)[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684081 /nfs/dbraw/zinc/68/40/81/945684081.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684091 /nfs/dbraw/zinc/68/40/91/945684091.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684096 /nfs/dbraw/zinc/68/40/96/945684096.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 2 363.496 3.703 20 0 FHADLP CC(C)[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(F)c(F)c1 ZINC000893416428 945684101 /nfs/dbraw/zinc/68/41/01/945684101.db2.gz IZHMLZBZKOACCQ-KCUCZHLASA-N 2 2 363.496 3.703 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651719342 945762371 /nfs/dbraw/zinc/76/23/71/945762371.db2.gz QIRNJAYUKKCJRK-RBUKOAKNSA-N 2 2 365.521 3.900 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726871 945783460 /nfs/dbraw/zinc/78/34/60/945783460.db2.gz CGHSEMFNNPNQFA-OXJNMPFZSA-N 2 2 372.484 3.843 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1F ZINC000651726871 945783464 /nfs/dbraw/zinc/78/34/64/945783464.db2.gz CGHSEMFNNPNQFA-OXJNMPFZSA-N 2 2 372.484 3.843 20 0 FHADLP C[C@H]1CC([N@@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065963 945816574 /nfs/dbraw/zinc/81/65/74/945816574.db2.gz ZJERXXVHNZHNHH-BHHKEHIISA-N 2 2 368.443 3.832 20 0 FHADLP C[C@H]1CC([N@H+]2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168065963 945816582 /nfs/dbraw/zinc/81/65/82/945816582.db2.gz ZJERXXVHNZHNHH-BHHKEHIISA-N 2 2 368.443 3.832 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281813852 945861653 /nfs/dbraw/zinc/86/16/53/945861653.db2.gz ZDCACGRWHPXAPE-YCRPNKLZSA-N 2 2 354.473 3.882 20 0 FHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@@H+]1C1CC1 ZINC000544374993 945884626 /nfs/dbraw/zinc/88/46/26/945884626.db2.gz JJUICLINKMKVTF-WFASDCNBSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@H+]1C1CC1 ZINC000544374993 945884636 /nfs/dbraw/zinc/88/46/36/945884636.db2.gz JJUICLINKMKVTF-WFASDCNBSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301684838 945912894 /nfs/dbraw/zinc/91/28/94/945912894.db2.gz VDRDFGBSDIQWJV-LJQANCHMSA-N 2 2 371.573 3.948 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301684838 945912899 /nfs/dbraw/zinc/91/28/99/945912899.db2.gz VDRDFGBSDIQWJV-LJQANCHMSA-N 2 2 371.573 3.948 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301684838 945912907 /nfs/dbraw/zinc/91/29/07/945912907.db2.gz VDRDFGBSDIQWJV-LJQANCHMSA-N 2 2 371.573 3.948 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301684838 945912911 /nfs/dbraw/zinc/91/29/11/945912911.db2.gz VDRDFGBSDIQWJV-LJQANCHMSA-N 2 2 371.573 3.948 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786108 945916519 /nfs/dbraw/zinc/91/65/19/945916519.db2.gz KYRAQJLKQXNUNR-RTBURBONSA-N 2 2 353.510 3.900 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786108 945916522 /nfs/dbraw/zinc/91/65/22/945916522.db2.gz KYRAQJLKQXNUNR-RTBURBONSA-N 2 2 353.510 3.900 20 0 FHADLP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000302041058 946091003 /nfs/dbraw/zinc/09/10/03/946091003.db2.gz NPHPEGXFJUSKGM-UHFFFAOYSA-N 2 2 350.466 3.724 20 0 FHADLP CC[N@H+](C[C@H]1CCO[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000639532568 946096386 /nfs/dbraw/zinc/09/63/86/946096386.db2.gz GJMVNNZIYVZVCP-QZTJIDSGSA-N 2 2 360.546 3.624 20 0 FHADLP CC[N@@H+](C[C@H]1CCO[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000639532568 946096398 /nfs/dbraw/zinc/09/63/98/946096398.db2.gz GJMVNNZIYVZVCP-QZTJIDSGSA-N 2 2 360.546 3.624 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000302626184 946265487 /nfs/dbraw/zinc/26/54/87/946265487.db2.gz ICVSKBUUGOUAOR-UHFFFAOYSA-N 2 2 350.466 3.744 20 0 FHADLP Cc1n[nH]cc1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103346131 946268373 /nfs/dbraw/zinc/26/83/73/946268373.db2.gz VFAAIMMJAQTDBZ-UHFFFAOYSA-N 2 2 357.461 3.920 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccccc2)c(C)c1 ZINC000441362326 946473832 /nfs/dbraw/zinc/47/38/32/946473832.db2.gz HKMCZOGIPSFFHX-WIYYLYMNSA-N 2 2 362.477 3.858 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056901 946531801 /nfs/dbraw/zinc/53/18/01/946531801.db2.gz JRFPRGJJOAETEZ-OOSNJVJTSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168056901 946531808 /nfs/dbraw/zinc/53/18/08/946531808.db2.gz JRFPRGJJOAETEZ-OOSNJVJTSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(OC)c1OC ZINC000631570903 946570338 /nfs/dbraw/zinc/57/03/38/946570338.db2.gz VQVUKTJQZFHUAY-GOSISDBHSA-N 2 2 355.482 3.809 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475550632 946620625 /nfs/dbraw/zinc/62/06/25/946620625.db2.gz IFRGWFUNTJHCKL-UHFFFAOYSA-N 2 2 358.917 3.941 20 0 FHADLP COc1cc(Br)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475565026 946678910 /nfs/dbraw/zinc/67/89/10/946678910.db2.gz VOBGLPVENOHKMW-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122877647 946700162 /nfs/dbraw/zinc/70/01/62/946700162.db2.gz CNVXFEDRLOYNIP-LRDDRELGSA-N 2 2 367.280 3.712 20 0 FHADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122877647 946700172 /nfs/dbraw/zinc/70/01/72/946700172.db2.gz CNVXFEDRLOYNIP-LRDDRELGSA-N 2 2 367.280 3.712 20 0 FHADLP Cc1nc2ccccn2c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000475331383 946893466 /nfs/dbraw/zinc/89/34/66/946893466.db2.gz LEGCIISFLBLHAG-UHFFFAOYSA-N 2 2 366.431 3.538 20 0 FHADLP C[NH+]1CCN(c2ncccc2C[NH2+]C2c3ccccc3-c3ccccc32)CC1 ZINC000182595382 946894536 /nfs/dbraw/zinc/89/45/36/946894536.db2.gz XTDGXEBYJBODIC-UHFFFAOYSA-N 2 2 370.500 3.693 20 0 FHADLP CC(C)Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475348116 946920245 /nfs/dbraw/zinc/92/02/45/946920245.db2.gz BNMOYBLZTVZPHM-KDURUIRLSA-N 2 2 355.551 3.905 20 0 FHADLP CC(C)Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475348116 946920248 /nfs/dbraw/zinc/92/02/48/946920248.db2.gz BNMOYBLZTVZPHM-KDURUIRLSA-N 2 2 355.551 3.905 20 0 FHADLP CC(C)Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475348116 946920259 /nfs/dbraw/zinc/92/02/59/946920259.db2.gz BNMOYBLZTVZPHM-KDURUIRLSA-N 2 2 355.551 3.905 20 0 FHADLP CC(C)Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475348116 946920262 /nfs/dbraw/zinc/92/02/62/946920262.db2.gz BNMOYBLZTVZPHM-KDURUIRLSA-N 2 2 355.551 3.905 20 0 FHADLP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000523422228 947252387 /nfs/dbraw/zinc/25/23/87/947252387.db2.gz HWUKEFUBGZLAEJ-UHFFFAOYSA-N 2 2 365.481 3.806 20 0 FHADLP Cn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(-c2ccccc2)n1 ZINC000520460136 947558373 /nfs/dbraw/zinc/55/83/73/947558373.db2.gz YIUJSHQKXDQGDJ-UHFFFAOYSA-N 2 2 363.509 3.976 20 0 FHADLP Cn1cc[nH+]c1N1CC[NH+](CCSc2cc(Cl)ccc2Cl)CC1 ZINC000536355939 947660768 /nfs/dbraw/zinc/66/07/68/947660768.db2.gz VKBBGTGDNHHEMP-UHFFFAOYSA-N 2 2 371.337 3.641 20 0 FHADLP Cc1sc2nc([C@@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)[nH]c(=O)c2c1C ZINC000662290254 947712519 /nfs/dbraw/zinc/71/25/19/947712519.db2.gz BSHNCQMEMZJVAR-CJNGLKHVSA-N 2 2 374.554 3.786 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309803 947739899 /nfs/dbraw/zinc/73/98/99/947739899.db2.gz DTNYYHPKLYSMQE-RXVVDRJESA-N 2 2 372.484 3.729 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309803 947739901 /nfs/dbraw/zinc/73/99/01/947739901.db2.gz DTNYYHPKLYSMQE-RXVVDRJESA-N 2 2 372.484 3.729 20 0 FHADLP Fc1ccc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663345581 947812907 /nfs/dbraw/zinc/81/29/07/947812907.db2.gz LHDYCTXHHWKSHY-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1ccc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663345581 947812914 /nfs/dbraw/zinc/81/29/14/947812914.db2.gz LHDYCTXHHWKSHY-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP FC(F)(F)c1ccncc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000663354321 947829789 /nfs/dbraw/zinc/82/97/89/947829789.db2.gz OWOPZJVJHXDDHQ-UHFFFAOYSA-N 2 2 363.427 3.897 20 0 FHADLP Fc1ccc(C(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)cc1 ZINC000500444737 948014511 /nfs/dbraw/zinc/01/45/11/948014511.db2.gz BTNAGKLEZFMLER-IBGZPJMESA-N 2 2 353.416 3.898 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000459071192 948030185 /nfs/dbraw/zinc/03/01/85/948030185.db2.gz GZFMCRMUUXXNOG-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000459071192 948030190 /nfs/dbraw/zinc/03/01/90/948030190.db2.gz GZFMCRMUUXXNOG-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466241 948049589 /nfs/dbraw/zinc/04/95/89/948049589.db2.gz PWLJWZWBBNWHQE-YJBOKZPZSA-N 2 2 354.897 3.878 20 0 FHADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1F ZINC000663466241 948049599 /nfs/dbraw/zinc/04/95/99/948049599.db2.gz PWLJWZWBBNWHQE-YJBOKZPZSA-N 2 2 354.897 3.878 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467814 948060572 /nfs/dbraw/zinc/06/05/72/948060572.db2.gz IBECXWAMGYWUQD-GDBMZVCRSA-N 2 2 360.933 3.999 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467814 948060583 /nfs/dbraw/zinc/06/05/83/948060583.db2.gz IBECXWAMGYWUQD-GDBMZVCRSA-N 2 2 360.933 3.999 20 0 FHADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000166078170 948089575 /nfs/dbraw/zinc/08/95/75/948089575.db2.gz WAEZQGDZCWZWSR-KRWDZBQOSA-N 2 2 368.525 3.950 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117275 /nfs/dbraw/zinc/11/72/75/948117275.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117276 /nfs/dbraw/zinc/11/72/76/948117276.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001167825126 948117279 /nfs/dbraw/zinc/11/72/79/948117279.db2.gz REEUMSFYJNSTEP-MOPGFXCFSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCc2nc(Br)sc2C1 ZINC001167827173 948139096 /nfs/dbraw/zinc/13/90/96/948139096.db2.gz UKUWTPJFVACTRC-LBPRGKRZSA-N 2 2 360.365 3.774 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCc2nc(Br)sc2C1 ZINC001167827173 948139099 /nfs/dbraw/zinc/13/90/99/948139099.db2.gz UKUWTPJFVACTRC-LBPRGKRZSA-N 2 2 360.365 3.774 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346718 948182589 /nfs/dbraw/zinc/18/25/89/948182589.db2.gz KEWKGQSEYVQTJI-OAHLLOKOSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCO1 ZINC000432346718 948182598 /nfs/dbraw/zinc/18/25/98/948182598.db2.gz KEWKGQSEYVQTJI-OAHLLOKOSA-N 2 2 364.436 3.815 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776695 948251703 /nfs/dbraw/zinc/25/17/03/948251703.db2.gz OIBUYHBRWSFSPZ-LSTHTHJFSA-N 2 2 356.466 3.755 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776695 948251710 /nfs/dbraw/zinc/25/17/10/948251710.db2.gz OIBUYHBRWSFSPZ-LSTHTHJFSA-N 2 2 356.466 3.755 20 0 FHADLP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)Cn1cc[nH+]c1 ZINC000512036227 948255565 /nfs/dbraw/zinc/25/55/65/948255565.db2.gz FSKIZXLIYADQMT-AWEZNQCLSA-N 2 2 363.387 3.514 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000512036250 948255582 /nfs/dbraw/zinc/25/55/82/948255582.db2.gz FZDJDXHBJGVVRB-HNNXBMFYSA-N 2 2 369.347 3.915 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(Br)c1 ZINC000512036250 948255591 /nfs/dbraw/zinc/25/55/91/948255591.db2.gz FZDJDXHBJGVVRB-HNNXBMFYSA-N 2 2 369.347 3.915 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000512067644 948350088 /nfs/dbraw/zinc/35/00/88/948350088.db2.gz MTWQZBLFUHDUPI-IHWFROFDSA-N 2 2 366.505 3.989 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000512067644 948350098 /nfs/dbraw/zinc/35/00/98/948350098.db2.gz MTWQZBLFUHDUPI-IHWFROFDSA-N 2 2 366.505 3.989 20 0 FHADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1F ZINC000585810771 948354696 /nfs/dbraw/zinc/35/46/96/948354696.db2.gz FZFMTMYLGAAMGK-FQEVSTJZSA-N 2 2 355.457 3.581 20 0 FHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc21 ZINC000432415228 948363556 /nfs/dbraw/zinc/36/35/56/948363556.db2.gz VLCTYAYOJLFOQD-IAGOWNOFSA-N 2 2 360.498 3.983 20 0 FHADLP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc21 ZINC000432415228 948363563 /nfs/dbraw/zinc/36/35/63/948363563.db2.gz VLCTYAYOJLFOQD-IAGOWNOFSA-N 2 2 360.498 3.983 20 0 FHADLP C[NH+](C)[C@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCSC1 ZINC000432441100 948433970 /nfs/dbraw/zinc/43/39/70/948433970.db2.gz JPJPVTJPDPHWKL-PREGVCBESA-N 2 2 369.372 3.722 20 0 FHADLP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512128459 948501502 /nfs/dbraw/zinc/50/15/02/948501502.db2.gz GNRRDIYFIKWSAJ-GFCCVEGCSA-N 2 2 373.444 3.781 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ncc(Br)s2)c2cccc[nH+]2)CC1 ZINC000895110229 948631823 /nfs/dbraw/zinc/63/18/23/948631823.db2.gz DXCKYFBRKDLUMP-HAQNSBGRSA-N 2 2 367.316 3.577 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2c[nH]nc2-c2cccs2)c2cccc[nH+]2)CC1 ZINC000895112142 948683516 /nfs/dbraw/zinc/68/35/16/948683516.db2.gz VKPZEUZMVYARLQ-WKILWMFISA-N 2 2 353.495 3.810 20 0 FHADLP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000507810888 948762842 /nfs/dbraw/zinc/76/28/42/948762842.db2.gz VRKNYNOTACBBKO-FQEVSTJZSA-N 2 2 358.432 3.574 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CCCC3)s2)[C@@H]1c1cccnc1 ZINC000328628055 210116284 /nfs/dbraw/zinc/11/62/84/210116284.db2.gz GWKFAVSYTDLDIZ-HKUYNNGSSA-N 2 2 356.539 3.978 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3CCCC3)s2)[C@@H]1c1cccnc1 ZINC000328628055 210116288 /nfs/dbraw/zinc/11/62/88/210116288.db2.gz GWKFAVSYTDLDIZ-HKUYNNGSSA-N 2 2 356.539 3.978 20 0 FHADLP CCCn1c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc2ccccc21 ZINC000328622349 210114545 /nfs/dbraw/zinc/11/45/45/210114545.db2.gz BEJMVCXLMHJSNG-AVRDEDQJSA-N 2 2 363.509 3.624 20 0 FHADLP CCCn1c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc2ccccc21 ZINC000328622349 210114549 /nfs/dbraw/zinc/11/45/49/210114549.db2.gz BEJMVCXLMHJSNG-AVRDEDQJSA-N 2 2 363.509 3.624 20 0 FHADLP Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000097219783 210098938 /nfs/dbraw/zinc/09/89/38/210098938.db2.gz WLFZWJKQNNYVTP-CALCHBBNSA-N 2 2 367.493 3.868 20 0 FHADLP Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)[nH+]1 ZINC000097219783 210098943 /nfs/dbraw/zinc/09/89/43/210098943.db2.gz WLFZWJKQNNYVTP-CALCHBBNSA-N 2 2 367.493 3.868 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000042904000 210047516 /nfs/dbraw/zinc/04/75/16/210047516.db2.gz ARSTWLKOAKVELX-IBGZPJMESA-N 2 2 350.466 3.905 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000019715475 211249323 /nfs/dbraw/zinc/24/93/23/211249323.db2.gz DLOVGYDVQSJARO-UHFFFAOYSA-N 2 2 356.489 3.688 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)CCO1 ZINC000275709473 527512467 /nfs/dbraw/zinc/51/24/67/527512467.db2.gz YFGUPTROBHZQHA-BEFAXECRSA-N 2 2 353.422 3.815 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000275351982 527512985 /nfs/dbraw/zinc/51/29/85/527512985.db2.gz ACEJMTIXPJDNHO-DYESRHJHSA-N 2 2 355.482 3.751 20 0 FHADLP OC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000601753309 567835966 /nfs/dbraw/zinc/83/59/66/567835966.db2.gz HKBSLVHTTKACFB-OAQYLSRUSA-N 2 2 367.880 3.744 20 0 FHADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000521408183 567884006 /nfs/dbraw/zinc/88/40/06/567884006.db2.gz UUZABDIYAQCFCT-RTWAWAEBSA-N 2 2 373.460 3.537 20 0 FHADLP Fc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000604069217 568205992 /nfs/dbraw/zinc/20/59/92/568205992.db2.gz DVVSKKMLEOUOND-JOCHJYFZSA-N 2 2 364.468 3.766 20 0 FHADLP Fc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000604069217 568205993 /nfs/dbraw/zinc/20/59/93/568205993.db2.gz DVVSKKMLEOUOND-JOCHJYFZSA-N 2 2 364.468 3.766 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119699 568224542 /nfs/dbraw/zinc/22/45/42/568224542.db2.gz FTCVNNIFPRYKFP-ITAUSPCMSA-N 3 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119699 568224543 /nfs/dbraw/zinc/22/45/43/568224543.db2.gz FTCVNNIFPRYKFP-ITAUSPCMSA-N 3 2 353.554 3.790 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135507 568267909 /nfs/dbraw/zinc/26/79/09/568267909.db2.gz LVVVSNBINSANDF-HOTGVXAUSA-N 2 2 352.906 3.569 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000563135507 568267910 /nfs/dbraw/zinc/26/79/10/568267910.db2.gz LVVVSNBINSANDF-HOTGVXAUSA-N 2 2 352.906 3.569 20 0 FHADLP [NH3+]CCC1CC[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000316014211 568402737 /nfs/dbraw/zinc/40/27/37/568402737.db2.gz SGQPAGUYQFRAGV-UHFFFAOYSA-N 2 2 364.704 3.646 20 0 FHADLP Fc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1Cl ZINC000365333579 568516097 /nfs/dbraw/zinc/51/60/97/568516097.db2.gz XSZZUYIVONUAFW-GFCCVEGCSA-N 2 2 361.288 3.723 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621899 719082401 /nfs/dbraw/zinc/08/24/01/719082401.db2.gz IEKNQZZLAUQAOR-PZJWPPBQSA-N 2 2 351.494 3.970 20 0 FHADLP CC(C)Oc1cc[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164621899 719082406 /nfs/dbraw/zinc/08/24/06/719082406.db2.gz IEKNQZZLAUQAOR-PZJWPPBQSA-N 2 2 351.494 3.970 20 0 FHADLP Cc1cccc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164780878 721432789 /nfs/dbraw/zinc/43/27/89/721432789.db2.gz AYSYWLCDGAWSAZ-CALCHBBNSA-N 2 2 350.491 3.568 20 0 FHADLP Cc1cccc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164780878 721432793 /nfs/dbraw/zinc/43/27/93/721432793.db2.gz AYSYWLCDGAWSAZ-CALCHBBNSA-N 2 2 350.491 3.568 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028969 721819763 /nfs/dbraw/zinc/81/97/63/721819763.db2.gz YFMBYJJOUMZKHC-IHPCNDPISA-N 2 2 366.509 3.531 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028969 721819765 /nfs/dbraw/zinc/81/97/65/721819765.db2.gz YFMBYJJOUMZKHC-IHPCNDPISA-N 2 2 366.509 3.531 20 0 FHADLP Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(C(C)C)[nH+]1 ZINC001164953846 722013441 /nfs/dbraw/zinc/01/34/41/722013441.db2.gz HECKSPDGZLVROC-UHFFFAOYSA-N 2 2 365.525 3.796 20 0 FHADLP Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(C(C)C)[nH+]1 ZINC001164953846 722013445 /nfs/dbraw/zinc/01/34/45/722013445.db2.gz HECKSPDGZLVROC-UHFFFAOYSA-N 2 2 365.525 3.796 20 0 FHADLP Clc1ccc(-c2nc3sccn3c2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000582964972 936326290 /nfs/dbraw/zinc/32/62/90/936326290.db2.gz UCCQBIMEARMRFM-LJQANCHMSA-N 2 2 372.925 3.902 20 0 FHADLP Clc1ccc(-c2nc3sccn3c2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000582964972 936326293 /nfs/dbraw/zinc/32/62/93/936326293.db2.gz UCCQBIMEARMRFM-LJQANCHMSA-N 2 2 372.925 3.902 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000582968988 936332043 /nfs/dbraw/zinc/33/20/43/936332043.db2.gz XEMPKYRCRQEIAZ-CHWSQXEVSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000582968988 936332046 /nfs/dbraw/zinc/33/20/46/936332046.db2.gz XEMPKYRCRQEIAZ-CHWSQXEVSA-N 2 2 364.287 3.521 20 0 FHADLP CC[N@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000579776597 927385418 /nfs/dbraw/zinc/38/54/18/927385418.db2.gz WFRZNQNTAVHSGV-UHFFFAOYSA-N 2 2 363.509 3.659 20 0 FHADLP CC[N@@H+](Cc1cn(-c2ccccc2C)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000579776597 927385429 /nfs/dbraw/zinc/38/54/29/927385429.db2.gz WFRZNQNTAVHSGV-UHFFFAOYSA-N 2 2 363.509 3.659 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000643548768 927470538 /nfs/dbraw/zinc/47/05/38/927470538.db2.gz UTQSBDFOZGSDIK-STQMWFEESA-N 2 2 353.304 3.783 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000583159950 937190082 /nfs/dbraw/zinc/19/00/82/937190082.db2.gz XZKNGTUCBLQAOU-UHFFFAOYSA-N 2 2 352.482 3.937 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1conc1Cc1ccccc1 ZINC000583159950 937190084 /nfs/dbraw/zinc/19/00/84/937190084.db2.gz XZKNGTUCBLQAOU-UHFFFAOYSA-N 2 2 352.482 3.937 20 0 FHADLP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2OC)N2CCCCC2)CC1 ZINC000119190815 928059380 /nfs/dbraw/zinc/05/93/80/928059380.db2.gz UIQRNVAPBDMBIL-NRFANRHFSA-N 2 2 359.558 3.686 20 0 FHADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000067267477 928459968 /nfs/dbraw/zinc/45/99/68/928459968.db2.gz FJMHLDSLYVZEGU-HXUWFJFHSA-N 2 2 363.465 3.597 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170549 928480931 /nfs/dbraw/zinc/48/09/31/928480931.db2.gz RTSNELUUIUTJLG-UHOSZYNNSA-N 2 2 354.498 3.635 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170549 928480937 /nfs/dbraw/zinc/48/09/37/928480937.db2.gz RTSNELUUIUTJLG-UHOSZYNNSA-N 2 2 354.498 3.635 20 0 FHADLP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000583235139 937265719 /nfs/dbraw/zinc/26/57/19/937265719.db2.gz YHPIOIOCZMQMNN-YGRLFVJLSA-N 2 2 366.690 3.960 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861337 928883654 /nfs/dbraw/zinc/88/36/54/928883654.db2.gz CYFLWZCSJCCKJF-JKSUJKDBSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861337 928883667 /nfs/dbraw/zinc/88/36/67/928883667.db2.gz CYFLWZCSJCCKJF-JKSUJKDBSA-N 2 2 359.901 3.807 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221848 929249852 /nfs/dbraw/zinc/24/98/52/929249852.db2.gz YHISDJUJQHVPDY-SVMVAKDDSA-N 2 2 367.537 3.679 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221848 929249864 /nfs/dbraw/zinc/24/98/64/929249864.db2.gz YHISDJUJQHVPDY-SVMVAKDDSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221848 929249872 /nfs/dbraw/zinc/24/98/72/929249872.db2.gz YHISDJUJQHVPDY-SVMVAKDDSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221848 929249879 /nfs/dbraw/zinc/24/98/79/929249879.db2.gz YHISDJUJQHVPDY-SVMVAKDDSA-N 2 2 367.537 3.679 20 0 FHADLP C[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000017313892 929590258 /nfs/dbraw/zinc/59/02/58/929590258.db2.gz CFTNIQDKPVCWMS-UHFFFAOYSA-N 2 2 357.885 3.776 20 0 FHADLP C[N@H+](CCCCC1CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375623814 929651852 /nfs/dbraw/zinc/65/18/52/929651852.db2.gz IMVXOCZEEDKNOK-UHFFFAOYSA-N 2 2 359.558 3.617 20 0 FHADLP C[N@@H+](CCCCC1CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375623814 929651856 /nfs/dbraw/zinc/65/18/56/929651856.db2.gz IMVXOCZEEDKNOK-UHFFFAOYSA-N 2 2 359.558 3.617 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000123293894 929975037 /nfs/dbraw/zinc/97/50/37/929975037.db2.gz BJULOHAFINWRMZ-JKSUJKDBSA-N 2 2 373.464 3.568 20 0 FHADLP Cc1cc(C[NH+]2CC(c3[nH+]cn4cc(Br)ccc34)C2)oc1C ZINC001204534320 930538209 /nfs/dbraw/zinc/53/82/09/930538209.db2.gz XRWKCGVDOHACME-UHFFFAOYSA-N 2 2 360.255 3.906 20 0 FHADLP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125031644 930563390 /nfs/dbraw/zinc/56/33/90/930563390.db2.gz IZFJSTPXZBXBJG-GOSISDBHSA-N 2 2 362.477 3.572 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813268 931192134 /nfs/dbraw/zinc/19/21/34/931192134.db2.gz ATZVGWCIQMYQJG-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(OCc2cccnc2)c1 ZINC000580813268 931192138 /nfs/dbraw/zinc/19/21/38/931192138.db2.gz ATZVGWCIQMYQJG-HXUWFJFHSA-N 2 2 369.509 3.585 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)[nH+]1 ZINC000580876559 931288015 /nfs/dbraw/zinc/28/80/15/931288015.db2.gz SFKXNJMWDVFWFK-FQEVSTJZSA-N 2 2 366.509 3.693 20 0 FHADLP Cc1cc(C)c(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)[nH+]1 ZINC000580876559 931288018 /nfs/dbraw/zinc/28/80/18/931288018.db2.gz SFKXNJMWDVFWFK-FQEVSTJZSA-N 2 2 366.509 3.693 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@H+](CCc2ccccc2)Cc2ccccc2)n1 ZINC000430559962 931845667 /nfs/dbraw/zinc/84/56/67/931845667.db2.gz UWAMYQYYJHLXOD-UHFFFAOYSA-N 2 2 350.466 3.508 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)n1 ZINC000430559962 931845672 /nfs/dbraw/zinc/84/56/72/931845672.db2.gz UWAMYQYYJHLXOD-UHFFFAOYSA-N 2 2 350.466 3.508 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560068 931850788 /nfs/dbraw/zinc/85/07/88/931850788.db2.gz YUUYYTCOQYSQKE-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560068 931850792 /nfs/dbraw/zinc/85/07/92/931850792.db2.gz YUUYYTCOQYSQKE-OCCSQVGLSA-N 2 2 364.287 3.663 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000510388691 931852039 /nfs/dbraw/zinc/85/20/39/931852039.db2.gz KWJDCRLGYKVUHA-JOCHJYFZSA-N 2 2 374.488 3.748 20 0 FHADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000074319607 932260763 /nfs/dbraw/zinc/26/07/63/932260763.db2.gz ZKABBCPTUTXLAF-OAHLLOKOSA-N 2 2 366.937 3.506 20 0 FHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000074319607 932260770 /nfs/dbraw/zinc/26/07/70/932260770.db2.gz ZKABBCPTUTXLAF-OAHLLOKOSA-N 2 2 366.937 3.506 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCC(F)(F)CC3)CC2)c1 ZINC000647170276 932381088 /nfs/dbraw/zinc/38/10/88/932381088.db2.gz SOZXXOZWJJMUPO-UHFFFAOYSA-N 2 2 351.485 3.675 20 0 FHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000581727171 932561472 /nfs/dbraw/zinc/56/14/72/932561472.db2.gz LSYVENMIWKVKCG-UWJYYQICSA-N 2 2 369.484 3.511 20 0 FHADLP Cc1c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)cnn1C(C)(C)C ZINC000276558511 932675385 /nfs/dbraw/zinc/67/53/85/932675385.db2.gz RRFCZFFSDFYSOL-YJBOKZPZSA-N 2 2 370.545 3.655 20 0 FHADLP CN(C(=O)/C=C/C1CCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575248 932702011 /nfs/dbraw/zinc/70/20/11/932702011.db2.gz PBDTWCYIXDCXED-NOBHMXGUSA-N 2 2 361.574 3.528 20 0 FHADLP CN(C(=O)/C=C/C1CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575248 932702018 /nfs/dbraw/zinc/70/20/18/932702018.db2.gz PBDTWCYIXDCXED-NOBHMXGUSA-N 2 2 361.574 3.528 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000581888003 932871689 /nfs/dbraw/zinc/87/16/89/932871689.db2.gz MDLLJPSDNCNUCL-UHFFFAOYSA-N 2 2 367.497 3.552 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000581888003 932871708 /nfs/dbraw/zinc/87/17/08/932871708.db2.gz MDLLJPSDNCNUCL-UHFFFAOYSA-N 2 2 367.497 3.552 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccnn2CC(C)C)c(C)c1 ZINC000647195717 932924861 /nfs/dbraw/zinc/92/48/61/932924861.db2.gz BDRVAKTZPVHYAB-NRFANRHFSA-N 2 2 351.498 3.884 20 0 FHADLP Cn1nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000647202023 933019469 /nfs/dbraw/zinc/01/94/69/933019469.db2.gz JQWOSCYHEYWETL-IBGZPJMESA-N 2 2 360.505 3.860 20 0 FHADLP Cn1nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c2ccccc21 ZINC000647202023 933019471 /nfs/dbraw/zinc/01/94/71/933019471.db2.gz JQWOSCYHEYWETL-IBGZPJMESA-N 2 2 360.505 3.860 20 0 FHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000581973400 933148580 /nfs/dbraw/zinc/14/85/80/933148580.db2.gz LUGGIVNZLLQSPC-NQIIRXRSSA-N 2 2 365.452 3.988 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000430825282 933266363 /nfs/dbraw/zinc/26/63/63/933266363.db2.gz RXFVQQZFUDYZGQ-QUCCMNQESA-N 2 2 354.498 3.503 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000430825283 933266539 /nfs/dbraw/zinc/26/65/39/933266539.db2.gz RXFVQQZFUDYZGQ-UYAOXDASSA-N 2 2 354.498 3.503 20 0 FHADLP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342217 /nfs/dbraw/zinc/34/22/17/933342217.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342227 /nfs/dbraw/zinc/34/22/27/933342227.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342238 /nfs/dbraw/zinc/34/22/38/933342238.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430869092 933342251 /nfs/dbraw/zinc/34/22/51/933342251.db2.gz WYPYVIHTQYDEDE-VIZSFHNOSA-N 2 2 374.569 3.803 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000092165276 933970720 /nfs/dbraw/zinc/97/07/20/933970720.db2.gz PERUOKUBGZJOLR-UHFFFAOYSA-N 2 2 354.542 3.854 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000092165276 933970727 /nfs/dbraw/zinc/97/07/27/933970727.db2.gz PERUOKUBGZJOLR-UHFFFAOYSA-N 2 2 354.542 3.854 20 0 FHADLP C[N@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645294 934121172 /nfs/dbraw/zinc/12/11/72/934121172.db2.gz XHWHXZNUHPJNLE-SNAWJCMRSA-N 2 2 353.485 3.873 20 0 FHADLP C[N@@H+](C/C=C/c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645294 934121178 /nfs/dbraw/zinc/12/11/78/934121178.db2.gz XHWHXZNUHPJNLE-SNAWJCMRSA-N 2 2 353.485 3.873 20 0 FHADLP C[C@@H](CCn1cccn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510927227 934140050 /nfs/dbraw/zinc/14/00/50/934140050.db2.gz HHKLZDBCKLMIRN-NKKJXINNSA-N 2 2 374.532 3.920 20 0 FHADLP C[C@@H](CCn1cccn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000510927227 934140052 /nfs/dbraw/zinc/14/00/52/934140052.db2.gz HHKLZDBCKLMIRN-NKKJXINNSA-N 2 2 374.532 3.920 20 0 FHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093770519 934172888 /nfs/dbraw/zinc/17/28/88/934172888.db2.gz CGNIPEGMONMWTP-INIZCTEOSA-N 2 2 362.468 3.541 20 0 FHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093770519 934172893 /nfs/dbraw/zinc/17/28/93/934172893.db2.gz CGNIPEGMONMWTP-INIZCTEOSA-N 2 2 362.468 3.541 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093770519 934172898 /nfs/dbraw/zinc/17/28/98/934172898.db2.gz CGNIPEGMONMWTP-INIZCTEOSA-N 2 2 362.468 3.541 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3F)c2C)C1 ZINC000093770519 934172899 /nfs/dbraw/zinc/17/28/99/934172899.db2.gz CGNIPEGMONMWTP-INIZCTEOSA-N 2 2 362.468 3.541 20 0 FHADLP Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(C)c[nH+]1 ZINC000535773660 934362631 /nfs/dbraw/zinc/36/26/31/934362631.db2.gz MRLIDKCQHQHCEG-SFHVURJKSA-N 2 2 372.538 3.777 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c(C)cn3C2)cc1Br ZINC000150948774 934741720 /nfs/dbraw/zinc/74/17/20/934741720.db2.gz VXXQMQLMHPCJNG-JSGCOSHPSA-N 2 2 364.287 3.628 20 0 FHADLP CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[nH]1 ZINC000277252487 934843301 /nfs/dbraw/zinc/84/33/01/934843301.db2.gz OCFAMSSCUCJSLN-HRCADAONSA-N 2 2 359.518 3.670 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657294694 934985626 /nfs/dbraw/zinc/98/56/26/934985626.db2.gz DDCQLBJZMISBDR-CALCHBBNSA-N 2 2 373.472 3.602 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@H](C)O1 ZINC000657294694 934985630 /nfs/dbraw/zinc/98/56/30/934985630.db2.gz DDCQLBJZMISBDR-CALCHBBNSA-N 2 2 373.472 3.602 20 0 FHADLP C[C@@H](C[NH2+]Cc1cccc(Br)c1OC(F)F)Cn1cc[nH+]c1 ZINC000538535770 935132926 /nfs/dbraw/zinc/13/29/26/935132926.db2.gz NHAYGMNRMOOFHV-NSHDSACASA-N 2 2 374.229 3.673 20 0 FHADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000582065160 935195111 /nfs/dbraw/zinc/19/51/11/935195111.db2.gz BPFIZIDRLGAVIT-VQTJNVASSA-N 2 2 371.912 3.602 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463352 935221158 /nfs/dbraw/zinc/22/11/58/935221158.db2.gz LMDVRQIYVVPRLO-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCc1cccnc1 ZINC000277463352 935221163 /nfs/dbraw/zinc/22/11/63/935221163.db2.gz LMDVRQIYVVPRLO-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657362361 935364585 /nfs/dbraw/zinc/36/45/85/935364585.db2.gz AUAZFLHIVAWUAP-QFBILLFUSA-N 2 2 364.505 3.594 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC3CC3)c2F)[C@@H](C)C1 ZINC000657362361 935364591 /nfs/dbraw/zinc/36/45/91/935364591.db2.gz AUAZFLHIVAWUAP-QFBILLFUSA-N 2 2 364.505 3.594 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657364849 935390515 /nfs/dbraw/zinc/39/05/15/935390515.db2.gz ARACIJQYPSZARY-CQSZACIVSA-N 2 2 366.431 3.754 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562163 935503841 /nfs/dbraw/zinc/50/38/41/935503841.db2.gz HZUBNDUZJSEHMN-KRWDZBQOSA-N 2 2 359.341 3.561 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562163 935503844 /nfs/dbraw/zinc/50/38/44/935503844.db2.gz HZUBNDUZJSEHMN-KRWDZBQOSA-N 2 2 359.341 3.561 20 0 FHADLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000582489415 935771859 /nfs/dbraw/zinc/77/18/59/935771859.db2.gz CDQVTBWJZFLUMY-KSFYIVLOSA-N 2 2 374.475 3.683 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000158409234 935778790 /nfs/dbraw/zinc/77/87/90/935778790.db2.gz AOIMSNCRJRMPHT-SFHVURJKSA-N 3 2 364.493 3.664 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657462865 935825470 /nfs/dbraw/zinc/82/54/70/935825470.db2.gz YHVZTXTXBBSAKM-NRFANRHFSA-N 2 2 352.526 3.683 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnn1CC1CC1 ZINC000657462865 935825471 /nfs/dbraw/zinc/82/54/71/935825471.db2.gz YHVZTXTXBBSAKM-NRFANRHFSA-N 2 2 352.526 3.683 20 0 FHADLP CC1(C)C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)c2cc(F)ccc2O1 ZINC000657500091 935878871 /nfs/dbraw/zinc/87/88/71/935878871.db2.gz HBAWICFMWRPLGQ-SFHVURJKSA-N 2 2 352.413 3.798 20 0 FHADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(OC(F)(F)F)c3)CCC2)n1C ZINC000657504022 935885959 /nfs/dbraw/zinc/88/59/59/935885959.db2.gz CGDOQBUMTVNGPC-UHFFFAOYSA-N 2 2 353.388 3.839 20 0 FHADLP FC(F)(F)c1ccc(Br)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000582635117 935896628 /nfs/dbraw/zinc/89/66/28/935896628.db2.gz QZLDKBHVEQMQDD-UHFFFAOYSA-N 2 2 362.193 3.844 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000130660302 935902227 /nfs/dbraw/zinc/90/22/27/935902227.db2.gz NTYIGZAEOKKOOF-MAUKXSAKSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000130660302 935902232 /nfs/dbraw/zinc/90/22/32/935902232.db2.gz NTYIGZAEOKKOOF-MAUKXSAKSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660302 935902233 /nfs/dbraw/zinc/90/22/33/935902233.db2.gz NTYIGZAEOKKOOF-MAUKXSAKSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660302 935902235 /nfs/dbraw/zinc/90/22/35/935902235.db2.gz NTYIGZAEOKKOOF-MAUKXSAKSA-N 2 2 352.482 3.748 20 0 FHADLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000582682949 935935008 /nfs/dbraw/zinc/93/50/08/935935008.db2.gz HNCGEDTYXGYLPU-UHFFFAOYSA-N 2 2 371.444 3.804 20 0 FHADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000117022720 935961395 /nfs/dbraw/zinc/96/13/95/935961395.db2.gz SPDQAXGYJZIYKF-SFHVURJKSA-N 2 2 350.466 3.652 20 0 FHADLP Cc1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)c2c([nH+]1)CCCC2 ZINC000892285542 935969528 /nfs/dbraw/zinc/96/95/28/935969528.db2.gz VGYQSPHQPYLOQX-UHFFFAOYSA-N 2 2 365.521 3.838 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106215940 945138424 /nfs/dbraw/zinc/13/84/24/945138424.db2.gz VACRKMIYYQWGRA-KBPBESRZSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106215940 945138430 /nfs/dbraw/zinc/13/84/30/945138430.db2.gz VACRKMIYYQWGRA-KBPBESRZSA-N 2 2 357.483 3.955 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000657550010 936009515 /nfs/dbraw/zinc/00/95/15/936009515.db2.gz MWMAHOHNDMZDBK-PBHICJAKSA-N 2 2 364.415 3.638 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000657550010 936009518 /nfs/dbraw/zinc/00/95/18/936009518.db2.gz MWMAHOHNDMZDBK-PBHICJAKSA-N 2 2 364.415 3.638 20 0 FHADLP Cc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)c(C)[nH+]1 ZINC000431483561 936038475 /nfs/dbraw/zinc/03/84/75/936038475.db2.gz BBIGQGTUMLWOSE-UHFFFAOYSA-N 2 2 350.510 3.894 20 0 FHADLP COc1cc2cccnc2c(N(c2c(N)[nH+]ccc2F)[C@@H](C)CCC[NH3+])c1 ZINC001167611494 936084753 /nfs/dbraw/zinc/08/47/53/936084753.db2.gz NEVQSNHZMDVEOK-ZDUSSCGKSA-N 2 2 369.444 3.625 20 0 FHADLP CC[NH+](CC)Cc1ccc(Br)cc1NCc1cc[nH+]c(N)c1 ZINC001167618207 936133646 /nfs/dbraw/zinc/13/36/46/936133646.db2.gz FVBOGOXOSPVSJX-UHFFFAOYSA-N 2 2 363.303 3.880 20 0 FHADLP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ncc(Br)s1 ZINC000635004155 938278959 /nfs/dbraw/zinc/27/89/59/938278959.db2.gz DCURWWWGMBVNMM-YPMHNXCESA-N 2 2 354.317 3.516 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647299136 938308020 /nfs/dbraw/zinc/30/80/20/938308020.db2.gz FFYRSQJAKPKHDM-WSTZPKSXSA-N 2 2 352.526 3.781 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647299136 938308021 /nfs/dbraw/zinc/30/80/21/938308021.db2.gz FFYRSQJAKPKHDM-WSTZPKSXSA-N 2 2 352.526 3.781 20 0 FHADLP C[C@@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161821335 938356258 /nfs/dbraw/zinc/35/62/58/938356258.db2.gz AHIWUDWRCGBLGH-BEFAXECRSA-N 2 2 370.497 3.826 20 0 FHADLP c1ccc2c(c1)CC[NH2+][C@@H]2c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000583752118 938390465 /nfs/dbraw/zinc/39/04/65/938390465.db2.gz RTACLRHIQQPYFO-NRFANRHFSA-N 2 2 374.488 3.958 20 0 FHADLP FC(F)(F)Oc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000467137301 938474794 /nfs/dbraw/zinc/47/47/94/938474794.db2.gz DZAFGXAITIVXSG-UHFFFAOYSA-N 2 2 355.360 3.567 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(N2CCCC2=O)c1 ZINC000151336952 938529087 /nfs/dbraw/zinc/52/90/87/938529087.db2.gz UDTNKHNFHRTHDA-SFHVURJKSA-N 2 2 374.488 3.909 20 0 FHADLP CN(C)c1c(C[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc(F)c1F ZINC000623388795 938633227 /nfs/dbraw/zinc/63/32/27/938633227.db2.gz VNKZGEMNVJIDKP-AWEZNQCLSA-N 2 2 362.468 3.629 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000584365225 938711125 /nfs/dbraw/zinc/71/11/25/938711125.db2.gz LMCWYWAJADKTNB-PKOBYXMFSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000584365225 938711127 /nfs/dbraw/zinc/71/11/27/938711127.db2.gz LMCWYWAJADKTNB-PKOBYXMFSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974688 938711551 /nfs/dbraw/zinc/71/15/51/938711551.db2.gz WTFULHJZUBFMOZ-KRWDZBQOSA-N 2 2 351.454 3.963 20 0 FHADLP CC(C)c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1 ZINC000080974688 938711552 /nfs/dbraw/zinc/71/15/52/938711552.db2.gz WTFULHJZUBFMOZ-KRWDZBQOSA-N 2 2 351.454 3.963 20 0 FHADLP CC[N@H+](C)[C@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccccc1 ZINC000685312979 938922654 /nfs/dbraw/zinc/92/26/54/938922654.db2.gz NTIIMJHCRWSZME-IBGZPJMESA-N 2 2 368.456 3.978 20 0 FHADLP CC[N@@H+](C)[C@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccccc1 ZINC000685312979 938922656 /nfs/dbraw/zinc/92/26/56/938922656.db2.gz NTIIMJHCRWSZME-IBGZPJMESA-N 2 2 368.456 3.978 20 0 FHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000647344303 938979002 /nfs/dbraw/zinc/97/90/02/938979002.db2.gz NOZZBAZWCULUGX-WZONZLPQSA-N 2 2 370.512 3.934 20 0 FHADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471270 938989494 /nfs/dbraw/zinc/98/94/94/938989494.db2.gz YMGUKFRUTHUDBZ-AZUAARDMSA-N 2 2 358.917 3.501 20 0 FHADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471270 938989495 /nfs/dbraw/zinc/98/94/95/938989495.db2.gz YMGUKFRUTHUDBZ-AZUAARDMSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471270 938989496 /nfs/dbraw/zinc/98/94/96/938989496.db2.gz YMGUKFRUTHUDBZ-AZUAARDMSA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471270 938989497 /nfs/dbraw/zinc/98/94/97/938989497.db2.gz YMGUKFRUTHUDBZ-AZUAARDMSA-N 2 2 358.917 3.501 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080339201 939000398 /nfs/dbraw/zinc/00/03/98/939000398.db2.gz MRKNNWNTFKEDKG-PXNSSMCTSA-N 2 2 354.494 3.847 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080339201 939000399 /nfs/dbraw/zinc/00/03/99/939000399.db2.gz MRKNNWNTFKEDKG-PXNSSMCTSA-N 2 2 354.494 3.847 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080339194 939000421 /nfs/dbraw/zinc/00/04/21/939000421.db2.gz MRKNNWNTFKEDKG-FXAWDEMLSA-N 2 2 354.494 3.847 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000080339194 939000422 /nfs/dbraw/zinc/00/04/22/939000422.db2.gz MRKNNWNTFKEDKG-FXAWDEMLSA-N 2 2 354.494 3.847 20 0 FHADLP CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000685579610 939002129 /nfs/dbraw/zinc/00/21/29/939002129.db2.gz QBJVLZFTZMRIEQ-SFHVURJKSA-N 2 2 367.493 3.675 20 0 FHADLP FC(F)(F)Oc1cccc([C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000685662293 939010308 /nfs/dbraw/zinc/01/03/08/939010308.db2.gz IQJJVINRMLBLDZ-DYVFJYSZSA-N 2 2 351.372 3.907 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770424 939016494 /nfs/dbraw/zinc/01/64/94/939016494.db2.gz VCMCTXDLJRECMP-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770424 939016495 /nfs/dbraw/zinc/01/64/95/939016495.db2.gz VCMCTXDLJRECMP-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770424 939016496 /nfs/dbraw/zinc/01/64/96/939016496.db2.gz VCMCTXDLJRECMP-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1OCC(F)(F)F ZINC000093770424 939016497 /nfs/dbraw/zinc/01/64/97/939016497.db2.gz VCMCTXDLJRECMP-MRXNPFEDSA-N 2 2 374.447 3.800 20 0 FHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055847 939020957 /nfs/dbraw/zinc/02/09/57/939020957.db2.gz JPMYIEXYQFFKDA-LSDHHAIUSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(Cl)c1 ZINC000658055847 939020958 /nfs/dbraw/zinc/02/09/58/939020958.db2.gz JPMYIEXYQFFKDA-LSDHHAIUSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091032 939022246 /nfs/dbraw/zinc/02/22/46/939022246.db2.gz KGZPHSJVFDWRQH-GDBMZVCRSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091032 939022247 /nfs/dbraw/zinc/02/22/47/939022247.db2.gz KGZPHSJVFDWRQH-GDBMZVCRSA-N 2 2 351.922 3.828 20 0 FHADLP COc1ccc(-c2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)on2)cc1 ZINC000658186032 939059815 /nfs/dbraw/zinc/05/98/15/939059815.db2.gz FRCNCXVBBAIGEJ-UHFFFAOYSA-N 2 2 364.449 3.504 20 0 FHADLP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658293222 939099519 /nfs/dbraw/zinc/09/95/19/939099519.db2.gz FATDDULIJGNAGA-VQIMIIECSA-N 2 2 364.917 3.705 20 0 FHADLP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000658292244 939099656 /nfs/dbraw/zinc/09/96/56/939099656.db2.gz SHDBAAAJKLEGMX-HOCLYGCPSA-N 2 2 354.441 3.500 20 0 FHADLP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507495751 945266860 /nfs/dbraw/zinc/26/68/60/945266860.db2.gz NHNXFHZPRJIKLE-GDBMZVCRSA-N 2 2 350.469 3.834 20 0 FHADLP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000507495752 945267211 /nfs/dbraw/zinc/26/72/11/945267211.db2.gz NHNXFHZPRJIKLE-GOEBONIOSA-N 2 2 350.469 3.834 20 0 FHADLP CCO[C@@H](CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000507509367 945288351 /nfs/dbraw/zinc/28/83/51/945288351.db2.gz LIMMJJZNXZISRX-KRWDZBQOSA-N 2 2 350.469 3.978 20 0 FHADLP Cc1nc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)sc1C ZINC000892509878 940229579 /nfs/dbraw/zinc/22/95/79/940229579.db2.gz DHMHTNKVRKKEEH-GASCZTMLSA-N 2 2 359.539 3.659 20 0 FHADLP Cc1nc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)sc1C ZINC000892509878 940229581 /nfs/dbraw/zinc/22/95/81/940229581.db2.gz DHMHTNKVRKKEEH-GASCZTMLSA-N 2 2 359.539 3.659 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)CCC[N@@H+]2C)cn1 ZINC000376168880 940410019 /nfs/dbraw/zinc/41/00/19/940410019.db2.gz YQFVNMATWRHOGU-ZTNFWEORSA-N 2 2 356.539 3.630 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccccc43)CCC[N@H+]2C)cn1 ZINC000376168880 940410021 /nfs/dbraw/zinc/41/00/21/940410021.db2.gz YQFVNMATWRHOGU-ZTNFWEORSA-N 2 2 356.539 3.630 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143520 940668189 /nfs/dbraw/zinc/66/81/89/940668189.db2.gz NORALUTVQMZOJX-QUCCMNQESA-N 2 2 352.526 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143520 940668192 /nfs/dbraw/zinc/66/81/92/940668192.db2.gz NORALUTVQMZOJX-QUCCMNQESA-N 2 2 352.526 3.782 20 0 FHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660565 945363015 /nfs/dbraw/zinc/36/30/15/945363015.db2.gz XBNNGIBPTHAIDW-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660565 945363027 /nfs/dbraw/zinc/36/30/27/945363027.db2.gz XBNNGIBPTHAIDW-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660565 945363041 /nfs/dbraw/zinc/36/30/41/945363041.db2.gz XBNNGIBPTHAIDW-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660565 945363050 /nfs/dbraw/zinc/36/30/50/945363050.db2.gz XBNNGIBPTHAIDW-IBGZPJMESA-N 2 2 374.326 3.915 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428143 940978791 /nfs/dbraw/zinc/97/87/91/940978791.db2.gz NNBQHZHHWVSBTD-CWFSZBLJSA-N 2 2 355.457 3.545 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428143 940978797 /nfs/dbraw/zinc/97/87/97/940978797.db2.gz NNBQHZHHWVSBTD-CWFSZBLJSA-N 2 2 355.457 3.545 20 0 FHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414337650 941002085 /nfs/dbraw/zinc/00/20/85/941002085.db2.gz DTXBNARADSKTTK-APWZRJJASA-N 2 2 350.441 3.941 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000892750050 941511694 /nfs/dbraw/zinc/51/16/94/941511694.db2.gz RYPLOWBVJUMCJM-UHFFFAOYSA-N 2 2 352.385 3.723 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415040801 941561123 /nfs/dbraw/zinc/56/11/23/941561123.db2.gz KTFVEQHUROGASG-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415040801 941561126 /nfs/dbraw/zinc/56/11/26/941561126.db2.gz KTFVEQHUROGASG-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055026 941574259 /nfs/dbraw/zinc/57/42/59/941574259.db2.gz QQDUCXPENFMWQD-APWZRJJASA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cs2)cc1 ZINC000415055026 941574262 /nfs/dbraw/zinc/57/42/62/941574262.db2.gz QQDUCXPENFMWQD-APWZRJJASA-N 2 2 357.523 3.783 20 0 FHADLP COc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000415075266 941586181 /nfs/dbraw/zinc/58/61/81/941586181.db2.gz BEIXWMFIROCIBK-YCRPNKLZSA-N 2 2 358.457 3.522 20 0 FHADLP COc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000415075262 941586331 /nfs/dbraw/zinc/58/63/31/941586331.db2.gz BEIXWMFIROCIBK-VFNWGFHPSA-N 2 2 358.457 3.522 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415084667 941595411 /nfs/dbraw/zinc/59/54/11/941595411.db2.gz PFKYXVHBYGGCDR-LEOXJPRUSA-N 2 2 364.537 3.690 20 0 FHADLP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415084667 941595414 /nfs/dbraw/zinc/59/54/14/941595414.db2.gz PFKYXVHBYGGCDR-LEOXJPRUSA-N 2 2 364.537 3.690 20 0 FHADLP Cc1cn2cc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000472751397 941679699 /nfs/dbraw/zinc/67/96/99/941679699.db2.gz NSAJQKPMIKUWJJ-QGZVFWFLSA-N 2 2 365.481 3.675 20 0 FHADLP Cc1cn2cc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000472751397 941679701 /nfs/dbraw/zinc/67/97/01/941679701.db2.gz NSAJQKPMIKUWJJ-QGZVFWFLSA-N 2 2 365.481 3.675 20 0 FHADLP Cc1cn2cc(NC(=O)N[C@H](C[NH+](C)C)c3ccc(Cl)cc3)ccc2[nH+]1 ZINC000549234616 941691570 /nfs/dbraw/zinc/69/15/70/941691570.db2.gz VRYJNBBZXVWLNX-QGZVFWFLSA-N 2 2 371.872 3.721 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1)C(C)C ZINC000729337786 941722993 /nfs/dbraw/zinc/72/29/93/941722993.db2.gz HBUZGFCUNDZFCV-FQEVSTJZSA-N 2 2 370.541 3.958 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1)C(C)C ZINC000729337786 941722996 /nfs/dbraw/zinc/72/29/96/941722996.db2.gz HBUZGFCUNDZFCV-FQEVSTJZSA-N 2 2 370.541 3.958 20 0 FHADLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Cl)c1 ZINC000472775920 941748867 /nfs/dbraw/zinc/74/88/67/941748867.db2.gz VMUWSLFMRYTICS-SCWSEQNSSA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Cl)c1 ZINC000472775920 941748875 /nfs/dbraw/zinc/74/88/75/941748875.db2.gz VMUWSLFMRYTICS-SCWSEQNSSA-N 2 2 358.913 3.874 20 0 FHADLP CCCC[N@H+](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513204725 941780441 /nfs/dbraw/zinc/78/04/41/941780441.db2.gz VRJMIHBLLFTROS-UHFFFAOYSA-N 2 2 355.929 3.765 20 0 FHADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000513204725 941780445 /nfs/dbraw/zinc/78/04/45/941780445.db2.gz VRJMIHBLLFTROS-UHFFFAOYSA-N 2 2 355.929 3.765 20 0 FHADLP COc1cc([C@H](C)[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1F ZINC000377648655 941869695 /nfs/dbraw/zinc/86/96/95/941869695.db2.gz LGFNLSOEQIULSV-KRWDZBQOSA-N 2 2 371.500 3.929 20 0 FHADLP COc1cc([C@H](C)[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1F ZINC000377648655 941869700 /nfs/dbraw/zinc/86/97/00/941869700.db2.gz LGFNLSOEQIULSV-KRWDZBQOSA-N 2 2 371.500 3.929 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(Br)c1 ZINC000314439454 941924085 /nfs/dbraw/zinc/92/40/85/941924085.db2.gz SEEJYHXZICLMMH-UHFFFAOYSA-N 2 2 355.320 3.810 20 0 FHADLP C[C@@H]1C[C@@H](NC[C@H](c2cccs2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481382 941957587 /nfs/dbraw/zinc/95/75/87/941957587.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H](NC[C@H](c2cccs2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481382 941957589 /nfs/dbraw/zinc/95/75/89/941957589.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513481382 941957590 /nfs/dbraw/zinc/95/75/90/941957590.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 2 2 357.567 3.994 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513481382 941957591 /nfs/dbraw/zinc/95/75/91/941957591.db2.gz BCIHSCRASKFCQH-YZGWKJHDSA-N 2 2 357.567 3.994 20 0 FHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000513487858 941958614 /nfs/dbraw/zinc/95/86/14/941958614.db2.gz LCMLKPXXTWFAKI-LJQANCHMSA-N 2 2 365.304 3.720 20 0 FHADLP O[C@@]1(C[NH2+]Cc2cc(Cl)ccc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000513487858 941958618 /nfs/dbraw/zinc/95/86/18/941958618.db2.gz LCMLKPXXTWFAKI-LJQANCHMSA-N 2 2 365.304 3.720 20 0 FHADLP COc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OCc1ccccc1 ZINC000377784945 941981778 /nfs/dbraw/zinc/98/17/78/941981778.db2.gz QKTXKPINQDLSKI-SFHVURJKSA-N 2 2 363.461 3.644 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000893080120 941997256 /nfs/dbraw/zinc/99/72/56/941997256.db2.gz MXQBUMVGRSUSAQ-FQEVSTJZSA-N 2 2 363.461 3.589 20 0 FHADLP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C1CC[NH+](CCO)CC1 ZINC000513569286 942012371 /nfs/dbraw/zinc/01/23/71/942012371.db2.gz SBOLFDXHFGWESG-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C1CC[NH+](CCO)CC1 ZINC000513569286 942012375 /nfs/dbraw/zinc/01/23/75/942012375.db2.gz SBOLFDXHFGWESG-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCc2nccn2C)cc1 ZINC000163806750 942054234 /nfs/dbraw/zinc/05/42/34/942054234.db2.gz KNSYGWKDCKZJOK-KRWDZBQOSA-N 2 2 365.481 3.547 20 0 FHADLP Cc1ccc2c(C)cc(NCc3ccccc3C[NH+]3CCOCC3)[nH+]c2c1 ZINC000501920764 942114124 /nfs/dbraw/zinc/11/41/24/942114124.db2.gz GFXVEELBUADILG-UHFFFAOYSA-N 2 2 361.489 3.718 20 0 FHADLP CCCOc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182092383 942204726 /nfs/dbraw/zinc/20/47/26/942204726.db2.gz DPHSTFKWZCMTSW-QGZVFWFLSA-N 2 2 357.498 3.672 20 0 FHADLP CCCOc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1OC ZINC000182092383 942204731 /nfs/dbraw/zinc/20/47/31/942204731.db2.gz DPHSTFKWZCMTSW-QGZVFWFLSA-N 2 2 357.498 3.672 20 0 FHADLP COc1ccc([C@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420901234 942245132 /nfs/dbraw/zinc/24/51/32/942245132.db2.gz KHQQIIZFVZLUNA-SFHVURJKSA-N 2 2 354.494 3.720 20 0 FHADLP COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000420901234 942245138 /nfs/dbraw/zinc/24/51/38/942245138.db2.gz KHQQIIZFVZLUNA-SFHVURJKSA-N 2 2 354.494 3.720 20 0 FHADLP Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919413 942254600 /nfs/dbraw/zinc/25/46/00/942254600.db2.gz ZAFBAGOXKVENFE-JOCHJYFZSA-N 2 2 353.510 3.585 20 0 FHADLP Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919413 942254606 /nfs/dbraw/zinc/25/46/06/942254606.db2.gz ZAFBAGOXKVENFE-JOCHJYFZSA-N 2 2 353.510 3.585 20 0 FHADLP CC[N@H+](CCOCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501006798 942254788 /nfs/dbraw/zinc/25/47/88/942254788.db2.gz KIFGAAMWOZQVQW-UHFFFAOYSA-N 2 2 362.562 3.872 20 0 FHADLP CC[N@@H+](CCOCC(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000501006798 942254790 /nfs/dbraw/zinc/25/47/90/942254790.db2.gz KIFGAAMWOZQVQW-UHFFFAOYSA-N 2 2 362.562 3.872 20 0 FHADLP Cc1csc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CC2)n1 ZINC000420953091 942272894 /nfs/dbraw/zinc/27/28/94/942272894.db2.gz UQPILQCAAHONSI-IBGZPJMESA-N 2 2 357.523 3.525 20 0 FHADLP Cc1cnc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)s1 ZINC000420951747 942273059 /nfs/dbraw/zinc/27/30/59/942273059.db2.gz TXURSHCAKHMWRT-LJQANCHMSA-N 2 2 357.523 3.525 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000420975930 942287887 /nfs/dbraw/zinc/28/78/87/942287887.db2.gz GIXCNSIZPFWFFB-UHFFFAOYSA-N 2 2 351.485 3.616 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000420975930 942287888 /nfs/dbraw/zinc/28/78/88/942287888.db2.gz GIXCNSIZPFWFFB-UHFFFAOYSA-N 2 2 351.485 3.616 20 0 FHADLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(F)ccc(Br)c3OC)(C1)CCC2 ZINC001279117392 942324877 /nfs/dbraw/zinc/32/48/77/942324877.db2.gz DRUXWXXQFHNYPF-DLBZAZTESA-N 2 2 371.294 3.751 20 0 FHADLP C([NH2+][C@H]1CCCC12CCOCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000502287338 942346768 /nfs/dbraw/zinc/34/67/68/942346768.db2.gz NIQRFOAZTAILIJ-SFHVURJKSA-N 2 2 352.588 3.677 20 0 FHADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346505 942373946 /nfs/dbraw/zinc/37/39/46/942373946.db2.gz PDZNBLRHTBAVMI-GOSISDBHSA-N 2 2 361.493 3.989 20 0 FHADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346505 942373950 /nfs/dbraw/zinc/37/39/50/942373950.db2.gz PDZNBLRHTBAVMI-GOSISDBHSA-N 2 2 361.493 3.989 20 0 FHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501471532 942490617 /nfs/dbraw/zinc/49/06/17/942490617.db2.gz LFZOXGLHEGYJHD-MLRPBERTSA-N 2 2 356.432 3.809 20 0 FHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1ccccc1C(F)(F)F ZINC000501471532 942490620 /nfs/dbraw/zinc/49/06/20/942490620.db2.gz LFZOXGLHEGYJHD-MLRPBERTSA-N 2 2 356.432 3.809 20 0 FHADLP Fc1ccc(Br)c(F)c1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735427 942502135 /nfs/dbraw/zinc/50/21/35/942502135.db2.gz UOOFYTVRMSHSMC-UHFFFAOYSA-N 2 2 359.258 3.693 20 0 FHADLP Fc1ccc(Br)c(F)c1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735427 942502141 /nfs/dbraw/zinc/50/21/41/942502141.db2.gz UOOFYTVRMSHSMC-UHFFFAOYSA-N 2 2 359.258 3.693 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000421336628 942508541 /nfs/dbraw/zinc/50/85/41/942508541.db2.gz XAQSGFHMOTWASF-OAHLLOKOSA-N 2 2 360.933 3.904 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nn1C ZINC000421336628 942508545 /nfs/dbraw/zinc/50/85/45/942508545.db2.gz XAQSGFHMOTWASF-OAHLLOKOSA-N 2 2 360.933 3.904 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)nn1C ZINC000421361006 942514299 /nfs/dbraw/zinc/51/42/99/942514299.db2.gz FYHPVIVCPIRGPM-UHFFFAOYSA-N 2 2 372.900 3.897 20 0 FHADLP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)nn1C ZINC000421361006 942514305 /nfs/dbraw/zinc/51/43/05/942514305.db2.gz FYHPVIVCPIRGPM-UHFFFAOYSA-N 2 2 372.900 3.897 20 0 FHADLP C[NH+](C)[C@H](CC(=O)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000416245882 942548218 /nfs/dbraw/zinc/54/82/18/942548218.db2.gz TYWLEVWRWBNKOT-WOJBJXKFSA-N 2 2 371.912 3.506 20 0 FHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000414840058 942554326 /nfs/dbraw/zinc/55/43/26/942554326.db2.gz GJRCYABXEYXHDH-GOSISDBHSA-N 2 2 352.507 3.502 20 0 FHADLP Fc1cc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294912 942598291 /nfs/dbraw/zinc/59/82/91/942598291.db2.gz BMDONDHZHGZFEO-SJCJKPOMSA-N 2 2 361.288 3.896 20 0 FHADLP Fc1cc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294912 942598296 /nfs/dbraw/zinc/59/82/96/942598296.db2.gz BMDONDHZHGZFEO-SJCJKPOMSA-N 2 2 361.288 3.896 20 0 FHADLP Fc1cc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294910 942598505 /nfs/dbraw/zinc/59/85/05/942598505.db2.gz BMDONDHZHGZFEO-PXAZEXFGSA-N 2 2 361.288 3.896 20 0 FHADLP Fc1cc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294910 942598507 /nfs/dbraw/zinc/59/85/07/942598507.db2.gz BMDONDHZHGZFEO-PXAZEXFGSA-N 2 2 361.288 3.896 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420282494 942603661 /nfs/dbraw/zinc/60/36/61/942603661.db2.gz BLXHLGISGMDTAL-KXBFYZLASA-N 2 2 357.885 3.609 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000420282494 942603665 /nfs/dbraw/zinc/60/36/65/942603665.db2.gz BLXHLGISGMDTAL-KXBFYZLASA-N 2 2 357.885 3.609 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967026 942604357 /nfs/dbraw/zinc/60/43/57/942604357.db2.gz GMQBXBVAWSZWIY-YSIASYRMSA-N 2 2 351.579 3.608 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967026 942604359 /nfs/dbraw/zinc/60/43/59/942604359.db2.gz GMQBXBVAWSZWIY-YSIASYRMSA-N 2 2 351.579 3.608 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420345408 942626645 /nfs/dbraw/zinc/62/66/45/942626645.db2.gz WDYDRHNEJPZKSA-LRDDRELGSA-N 2 2 370.324 3.784 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000420352791 942634116 /nfs/dbraw/zinc/63/41/16/942634116.db2.gz AVXSYXODOOPFCG-LBPRGKRZSA-N 2 2 351.235 3.514 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000420360784 942637652 /nfs/dbraw/zinc/63/76/52/942637652.db2.gz MFLABLPHEVOGLY-PXAZEXFGSA-N 2 2 372.340 3.668 20 0 FHADLP COc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420399330 942655744 /nfs/dbraw/zinc/65/57/44/942655744.db2.gz NXKYEDOOMILUCV-MAUKXSAKSA-N 2 2 357.523 3.783 20 0 FHADLP COc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cs1 ZINC000420399330 942655747 /nfs/dbraw/zinc/65/57/47/942655747.db2.gz NXKYEDOOMILUCV-MAUKXSAKSA-N 2 2 357.523 3.783 20 0 FHADLP Cc1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000421577170 942669075 /nfs/dbraw/zinc/66/90/75/942669075.db2.gz NYPDRWQBFOPFNC-UHFFFAOYSA-N 2 2 351.494 3.617 20 0 FHADLP CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688626 942865452 /nfs/dbraw/zinc/86/54/52/942865452.db2.gz ODUFRQMFQLRRHM-GOSISDBHSA-N 2 2 374.573 3.730 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727968 942897588 /nfs/dbraw/zinc/89/75/88/942897588.db2.gz QUOYJNICCPVALH-MTNREXPMSA-N 2 2 370.516 3.952 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727968 942897590 /nfs/dbraw/zinc/89/75/90/942897590.db2.gz QUOYJNICCPVALH-MTNREXPMSA-N 2 2 370.516 3.952 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727968 942897593 /nfs/dbraw/zinc/89/75/93/942897593.db2.gz QUOYJNICCPVALH-MTNREXPMSA-N 2 2 370.516 3.952 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCc3ccc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000434727968 942897595 /nfs/dbraw/zinc/89/75/95/942897595.db2.gz QUOYJNICCPVALH-MTNREXPMSA-N 2 2 370.516 3.952 20 0 FHADLP Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434734415 942940549 /nfs/dbraw/zinc/94/05/49/942940549.db2.gz FUWVLFFBUWAXNF-UNMCSNQZSA-N 2 2 353.510 3.784 20 0 FHADLP Cc1ccccc1OCCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434734415 942940556 /nfs/dbraw/zinc/94/05/56/942940556.db2.gz FUWVLFFBUWAXNF-UNMCSNQZSA-N 2 2 353.510 3.784 20 0 FHADLP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434734415 942940564 /nfs/dbraw/zinc/94/05/64/942940564.db2.gz FUWVLFFBUWAXNF-UNMCSNQZSA-N 2 2 353.510 3.784 20 0 FHADLP Cc1ccccc1OCCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434734415 942940570 /nfs/dbraw/zinc/94/05/70/942940570.db2.gz FUWVLFFBUWAXNF-UNMCSNQZSA-N 2 2 353.510 3.784 20 0 FHADLP Fc1ccc([C@@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC000273421340 942953090 /nfs/dbraw/zinc/95/30/90/942953090.db2.gz JJGWUBSQVXSDEF-UXHICEINSA-N 2 2 355.457 3.699 20 0 FHADLP Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(C)cc3C[NH+](C)C)C2)[nH+]c1 ZINC000363888616 942971367 /nfs/dbraw/zinc/97/13/67/942971367.db2.gz NRFUCYQRHFPSOB-GOSISDBHSA-N 2 2 366.509 3.615 20 0 FHADLP Cc1cc(CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc(C)[nH+]1 ZINC000422165004 943017360 /nfs/dbraw/zinc/01/73/60/943017360.db2.gz OBYIVBZPSAHNSK-KRWDZBQOSA-N 2 2 354.498 3.627 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007274 943032523 /nfs/dbraw/zinc/03/25/23/943032523.db2.gz GNZVWVPKAGAGDB-MOPGFXCFSA-N 2 2 369.509 3.501 20 0 FHADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007274 943032532 /nfs/dbraw/zinc/03/25/32/943032532.db2.gz GNZVWVPKAGAGDB-MOPGFXCFSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007274 943032538 /nfs/dbraw/zinc/03/25/38/943032538.db2.gz GNZVWVPKAGAGDB-MOPGFXCFSA-N 2 2 369.509 3.501 20 0 FHADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000473007274 943032542 /nfs/dbraw/zinc/03/25/42/943032542.db2.gz GNZVWVPKAGAGDB-MOPGFXCFSA-N 2 2 369.509 3.501 20 0 FHADLP CC[N@H+](Cc1coc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079392 943077416 /nfs/dbraw/zinc/07/74/16/943077416.db2.gz IVNNQNUEXPZYLY-UHFFFAOYSA-N 2 2 357.502 3.696 20 0 FHADLP CC[N@@H+](Cc1coc(C)n1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079392 943077422 /nfs/dbraw/zinc/07/74/22/943077422.db2.gz IVNNQNUEXPZYLY-UHFFFAOYSA-N 2 2 357.502 3.696 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000435004271 943095441 /nfs/dbraw/zinc/09/54/41/943095441.db2.gz RAVQZYAIZNKRAC-LPHOPBHVSA-N 2 2 354.498 3.635 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000298582461 943116583 /nfs/dbraw/zinc/11/65/83/943116583.db2.gz XUOOCNYFWLDSIZ-IBGZPJMESA-N 2 2 353.445 3.719 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000298582461 943116587 /nfs/dbraw/zinc/11/65/87/943116587.db2.gz XUOOCNYFWLDSIZ-IBGZPJMESA-N 2 2 353.445 3.719 20 0 FHADLP Fc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000435055175 943127695 /nfs/dbraw/zinc/12/76/95/943127695.db2.gz HKDIOJFOZMTUPW-OAHLLOKOSA-N 2 2 370.346 3.815 20 0 FHADLP Fc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCC(F)(F)F ZINC000435055175 943127698 /nfs/dbraw/zinc/12/76/98/943127698.db2.gz HKDIOJFOZMTUPW-OAHLLOKOSA-N 2 2 370.346 3.815 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000545912671 943128747 /nfs/dbraw/zinc/12/87/47/943128747.db2.gz BDNFLIQBHRHJFD-UHFFFAOYSA-N 2 2 374.525 3.515 20 0 FHADLP C[N@H+](CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccc(F)cc1 ZINC000503412242 943169737 /nfs/dbraw/zinc/16/97/37/943169737.db2.gz MWXNKLVCDMAKOB-LJQANCHMSA-N 2 2 370.516 3.670 20 0 FHADLP C[N@@H+](CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccc(F)cc1 ZINC000503412242 943169742 /nfs/dbraw/zinc/16/97/42/943169742.db2.gz MWXNKLVCDMAKOB-LJQANCHMSA-N 2 2 370.516 3.670 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433428 943180885 /nfs/dbraw/zinc/18/08/85/943180885.db2.gz QICCWMNKVROZOY-ROUUACIJSA-N 2 2 372.557 3.578 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433428 943180890 /nfs/dbraw/zinc/18/08/90/943180890.db2.gz QICCWMNKVROZOY-ROUUACIJSA-N 2 2 372.557 3.578 20 0 FHADLP CCOc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCc1ccccc1 ZINC000422560327 943182261 /nfs/dbraw/zinc/18/22/61/943182261.db2.gz GJYHKQDWSMPIHH-UHFFFAOYSA-N 2 2 366.505 3.992 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552615 943187577 /nfs/dbraw/zinc/18/75/77/943187577.db2.gz HTMHWCIHPWCKEU-HKUYNNGSSA-N 2 2 360.933 3.554 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552615 943187582 /nfs/dbraw/zinc/18/75/82/943187582.db2.gz HTMHWCIHPWCKEU-HKUYNNGSSA-N 2 2 360.933 3.554 20 0 FHADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272660914 943195715 /nfs/dbraw/zinc/19/57/15/943195715.db2.gz HNOIATIRNNMLQV-FHLIZLRMSA-N 2 2 356.470 3.572 20 0 FHADLP O=C(CCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1)OCc1ccccc1 ZINC000272739185 943212265 /nfs/dbraw/zinc/21/22/65/943212265.db2.gz KLKGUKWBVYLWLR-UHFFFAOYSA-N 2 2 367.493 3.554 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000272777990 943219422 /nfs/dbraw/zinc/21/94/22/943219422.db2.gz YWKQUEWCBZJHHF-MRXNPFEDSA-N 2 2 355.448 3.519 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000660116393 943224726 /nfs/dbraw/zinc/22/47/26/943224726.db2.gz IOIVLOKCIKRALG-UHFFFAOYSA-N 2 2 357.683 3.525 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000660116393 943224736 /nfs/dbraw/zinc/22/47/36/943224736.db2.gz IOIVLOKCIKRALG-UHFFFAOYSA-N 2 2 357.683 3.525 20 0 FHADLP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272900129 943241370 /nfs/dbraw/zinc/24/13/70/943241370.db2.gz POUONVIXDXLJIC-UHFFFAOYSA-N 2 2 358.448 3.979 20 0 FHADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710513 943243612 /nfs/dbraw/zinc/24/36/12/943243612.db2.gz FYUNNJFCOFAJJO-NFBKMPQASA-N 3 2 360.505 3.815 20 0 FHADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710516 943244022 /nfs/dbraw/zinc/24/40/22/943244022.db2.gz FYUNNJFCOFAJJO-NZQKXSOJSA-N 3 2 360.505 3.815 20 0 FHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(c2nccs2)CC1)c1ccccc1 ZINC000272964426 943251295 /nfs/dbraw/zinc/25/12/95/943251295.db2.gz WNHMTVBSCQNTLX-MRXNPFEDSA-N 2 2 358.555 3.831 20 0 FHADLP COc1ccc([C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422743600 943268788 /nfs/dbraw/zinc/26/87/88/943268788.db2.gz ULOPRWVAVWCQSI-XZOQPEGZSA-N 2 2 365.521 3.747 20 0 FHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2sccc2Br)CC1 ZINC000503578228 943272918 /nfs/dbraw/zinc/27/29/18/943272918.db2.gz RKXITZLEOIXEAK-UHFFFAOYSA-N 2 2 354.317 3.699 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2ccc3ccccc3n2)[C@H]2CCC[NH2+]2)cc1 ZINC000422782863 943281638 /nfs/dbraw/zinc/28/16/38/943281638.db2.gz NNBFHZCUMDCSMF-PKTZIBPZSA-N 2 2 361.489 3.869 20 0 FHADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422829726 943297920 /nfs/dbraw/zinc/29/79/20/943297920.db2.gz HUJIICPNPDOMLV-PCCBWWKXSA-N 2 2 352.526 3.526 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836564 943301196 /nfs/dbraw/zinc/30/11/96/943301196.db2.gz KIUXCFMDMLEAIM-ABSDTBQOSA-N 3 2 352.526 3.552 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836564 943301200 /nfs/dbraw/zinc/30/12/00/943301200.db2.gz KIUXCFMDMLEAIM-ABSDTBQOSA-N 3 2 352.526 3.552 20 0 FHADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422853874 943306416 /nfs/dbraw/zinc/30/64/16/943306416.db2.gz SYQSJTTUWADZFU-HSALFYBXSA-N 2 2 355.551 3.939 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422883873 943317188 /nfs/dbraw/zinc/31/71/88/943317188.db2.gz DBRCFICOMKZUTE-RLFYNMQTSA-N 2 2 359.539 3.845 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906512 943327307 /nfs/dbraw/zinc/32/73/07/943327307.db2.gz KAVZTMZRNZRBCD-XYPHTWIQSA-N 2 2 357.523 3.926 20 0 FHADLP CC[N@H+](CCCC1CC[NH+](Cc2coc(C)n2)CC1)Cc1coc(C)n1 ZINC000660153142 943341433 /nfs/dbraw/zinc/34/14/33/943341433.db2.gz AASWDAQCVBNAQE-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP CC[N@@H+](CCCC1CC[NH+](Cc2coc(C)n2)CC1)Cc1coc(C)n1 ZINC000660153142 943341434 /nfs/dbraw/zinc/34/14/34/943341434.db2.gz AASWDAQCVBNAQE-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CN1c1ccccc1Cl ZINC000422955603 943349625 /nfs/dbraw/zinc/34/96/25/943349625.db2.gz JRQNXTZUTQRLPO-LNLFQRSKSA-N 2 2 369.896 3.528 20 0 FHADLP COc1ccc([C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422980319 943357120 /nfs/dbraw/zinc/35/71/20/943357120.db2.gz LMHPCWYRIMEMGC-FPOVZHCZSA-N 2 2 352.482 3.596 20 0 FHADLP CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435379105 943368120 /nfs/dbraw/zinc/36/81/20/943368120.db2.gz HQIIMMAXPHSEIT-AWEZNQCLSA-N 2 2 354.420 3.556 20 0 FHADLP CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435379105 943368127 /nfs/dbraw/zinc/36/81/27/943368127.db2.gz HQIIMMAXPHSEIT-AWEZNQCLSA-N 2 2 354.420 3.556 20 0 FHADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435379508 943368376 /nfs/dbraw/zinc/36/83/76/943368376.db2.gz MPIFWHBRMGWOGU-OAHLLOKOSA-N 2 2 360.933 4.000 20 0 FHADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435379508 943368381 /nfs/dbraw/zinc/36/83/81/943368381.db2.gz MPIFWHBRMGWOGU-OAHLLOKOSA-N 2 2 360.933 4.000 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000423049487 943368777 /nfs/dbraw/zinc/36/87/77/943368777.db2.gz XTPXSIWXSCOOMF-PILAGYSTSA-N 2 2 356.432 3.698 20 0 FHADLP FC(F)(F)C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423035085 943372438 /nfs/dbraw/zinc/37/24/38/943372438.db2.gz IRVCIAJNXFWDTI-CYBMUJFWSA-N 2 2 351.210 3.784 20 0 FHADLP CCOc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435395439 943380986 /nfs/dbraw/zinc/38/09/86/943380986.db2.gz SJPVYTLSEWLWLU-FQEVSTJZSA-N 2 2 369.509 3.633 20 0 FHADLP CCOc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435395439 943380993 /nfs/dbraw/zinc/38/09/93/943380993.db2.gz SJPVYTLSEWLWLU-FQEVSTJZSA-N 2 2 369.509 3.633 20 0 FHADLP COCc1nc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(-c2ccccc2)s1 ZINC000423093763 943392460 /nfs/dbraw/zinc/39/24/60/943392460.db2.gz AIMNSHUYDUDAQV-CYBMUJFWSA-N 2 2 354.479 3.615 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423127862 943399429 /nfs/dbraw/zinc/39/94/29/943399429.db2.gz PTAADZFSTOYVEQ-YSZBQJHXSA-N 2 2 369.553 3.625 20 0 FHADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423105326 943401287 /nfs/dbraw/zinc/40/12/87/943401287.db2.gz IDOBWVPVQNHTQN-HFBAOOFYSA-N 2 2 359.258 3.738 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CSc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000423145780 943407255 /nfs/dbraw/zinc/40/72/55/943407255.db2.gz MKPDEOHHANNFAP-BSIFCXSSSA-N 2 2 354.519 3.967 20 0 FHADLP Cc1oc2ccccc2c1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431609 943409669 /nfs/dbraw/zinc/40/96/69/943409669.db2.gz DZISIRMEJNBKAZ-FQEVSTJZSA-N 2 2 364.493 3.619 20 0 FHADLP Cc1oc2ccccc2c1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431609 943409673 /nfs/dbraw/zinc/40/96/73/943409673.db2.gz DZISIRMEJNBKAZ-FQEVSTJZSA-N 2 2 364.493 3.619 20 0 FHADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](c1nccn1C)C1CC1 ZINC000638105991 943412020 /nfs/dbraw/zinc/41/20/20/943412020.db2.gz YHEDNVYMKNAQFL-FQEVSTJZSA-N 2 2 353.514 3.505 20 0 FHADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](c1nccn1C)C1CC1 ZINC000638105991 943412022 /nfs/dbraw/zinc/41/20/22/943412022.db2.gz YHEDNVYMKNAQFL-FQEVSTJZSA-N 2 2 353.514 3.505 20 0 FHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000423159384 943417697 /nfs/dbraw/zinc/41/76/97/943417697.db2.gz OYWVPPHFSZQSLO-FGTMMUONSA-N 2 2 350.384 3.863 20 0 FHADLP Clc1ccccc1[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423211026 943432937 /nfs/dbraw/zinc/43/29/37/943432937.db2.gz KOFHFMZNCJBHLB-YCRPNKLZSA-N 2 2 372.896 3.790 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000423187427 943434277 /nfs/dbraw/zinc/43/42/77/943434277.db2.gz PKLHNJXOPRLUAB-XSEFMFLKSA-N 2 2 366.505 3.890 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423248685 943458729 /nfs/dbraw/zinc/45/87/29/943458729.db2.gz RYJCDVCLRQMZSW-OXQOHEQNSA-N 2 2 354.498 3.911 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000423310001 943472637 /nfs/dbraw/zinc/47/26/37/943472637.db2.gz RAJLABMYMHRKLZ-UONOGXRCSA-N 2 2 358.511 3.647 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000423310001 943472640 /nfs/dbraw/zinc/47/26/40/943472640.db2.gz RAJLABMYMHRKLZ-UONOGXRCSA-N 2 2 358.511 3.647 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1F ZINC000423361436 943491025 /nfs/dbraw/zinc/49/10/25/943491025.db2.gz GUANOJFRUQDGDZ-SIKLNZKXSA-N 2 2 371.475 3.669 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069551 943496347 /nfs/dbraw/zinc/49/63/47/943496347.db2.gz XRNUKCOSBLHLFT-ACJLOTCBSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069551 943496349 /nfs/dbraw/zinc/49/63/49/943496349.db2.gz XRNUKCOSBLHLFT-ACJLOTCBSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000515069551 943496353 /nfs/dbraw/zinc/49/63/53/943496353.db2.gz XRNUKCOSBLHLFT-ACJLOTCBSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000515069551 943496356 /nfs/dbraw/zinc/49/63/56/943496356.db2.gz XRNUKCOSBLHLFT-ACJLOTCBSA-N 2 2 356.432 3.686 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000423397187 943501861 /nfs/dbraw/zinc/50/18/61/943501861.db2.gz ULKZQTMYAHIWJB-LPHOPBHVSA-N 2 2 360.546 3.989 20 0 FHADLP COC[C@@]1(C[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)CCC[NH2+]1 ZINC000423422386 943505780 /nfs/dbraw/zinc/50/57/80/943505780.db2.gz KNGRKLAOSKWTHC-YJYMSZOUSA-N 2 2 363.502 3.677 20 0 FHADLP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000515149927 943524747 /nfs/dbraw/zinc/52/47/47/943524747.db2.gz QQOGHNOTJJKLJB-QGZVFWFLSA-N 2 2 368.949 3.503 20 0 FHADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423499599 943529567 /nfs/dbraw/zinc/52/95/67/943529567.db2.gz CFFSDRVZYNQVEC-FOIQADDNSA-N 2 2 364.555 3.571 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515884 943542600 /nfs/dbraw/zinc/54/26/00/943542600.db2.gz XNVUTKYUQYPPOI-JTSKRJEESA-N 3 2 355.526 3.540 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423520144 943544922 /nfs/dbraw/zinc/54/49/22/943544922.db2.gz PTEZKGLEROIULL-YGRLFVJLSA-N 2 2 370.337 3.753 20 0 FHADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423565681 943557990 /nfs/dbraw/zinc/55/79/90/943557990.db2.gz SVKQTUDCPWVSOQ-SZMVWBNQSA-N 2 2 350.478 3.566 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435730254 943573555 /nfs/dbraw/zinc/57/35/55/943573555.db2.gz DCWYRZAPWCLQQY-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435730254 943573558 /nfs/dbraw/zinc/57/35/58/943573558.db2.gz DCWYRZAPWCLQQY-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP CCCc1cccc(C[N@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000584781064 943595777 /nfs/dbraw/zinc/59/57/77/943595777.db2.gz COMSUPRLPJNFKC-NRFANRHFSA-N 2 2 366.553 4.000 20 0 FHADLP CCCc1cccc(C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000584781064 943595780 /nfs/dbraw/zinc/59/57/80/943595780.db2.gz COMSUPRLPJNFKC-NRFANRHFSA-N 2 2 366.553 4.000 20 0 FHADLP CC(C)n1c[nH+]cc1CNc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000424158623 943765850 /nfs/dbraw/zinc/76/58/50/943765850.db2.gz UCYLYOATVHAFMU-UHFFFAOYSA-N 2 2 369.513 3.891 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000516933355 943842121 /nfs/dbraw/zinc/84/21/21/943842121.db2.gz DBHQTMCWYSOSOI-KUHUBIRLSA-N 2 2 354.479 3.599 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000516933355 943842139 /nfs/dbraw/zinc/84/21/39/943842139.db2.gz DBHQTMCWYSOSOI-KUHUBIRLSA-N 2 2 354.479 3.599 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(C)nc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000436048999 943973103 /nfs/dbraw/zinc/97/31/03/943973103.db2.gz GUHKYRKAUVTFJU-KRWDZBQOSA-N 2 2 366.534 3.920 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(C)nc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000436048999 943973106 /nfs/dbraw/zinc/97/31/06/943973106.db2.gz GUHKYRKAUVTFJU-KRWDZBQOSA-N 2 2 366.534 3.920 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000414877898 944003102 /nfs/dbraw/zinc/00/31/02/944003102.db2.gz GOCMVFRGQSNNIR-LADGPHEKSA-N 2 2 373.500 3.993 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000468743959 944052457 /nfs/dbraw/zinc/05/24/57/944052457.db2.gz OUSOFNLKNFWRLF-FUHWJXTLSA-N 2 2 357.523 3.568 20 0 FHADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515710732 944138205 /nfs/dbraw/zinc/13/82/05/944138205.db2.gz ZFOABIIXDADLFY-RXVVDRJESA-N 2 2 361.493 3.649 20 0 FHADLP C[C@H](Nc1ccc(Cn2cc[nH+]c2)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515710732 944138208 /nfs/dbraw/zinc/13/82/08/944138208.db2.gz ZFOABIIXDADLFY-RXVVDRJESA-N 2 2 361.493 3.649 20 0 FHADLP Cc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1Br ZINC000500129975 944144589 /nfs/dbraw/zinc/14/45/89/944144589.db2.gz QJFLGCJSOMGTHV-UHFFFAOYSA-N 2 2 362.315 3.946 20 0 FHADLP C[N@H+](Cc1cc2ccccc2o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425915776 944169031 /nfs/dbraw/zinc/16/90/31/944169031.db2.gz DXJZYZZXUODAAN-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[N@@H+](Cc1cc2ccccc2o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425915776 944169037 /nfs/dbraw/zinc/16/90/37/944169037.db2.gz DXJZYZZXUODAAN-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1cc2ccccc2o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425915776 944169041 /nfs/dbraw/zinc/16/90/41/944169041.db2.gz DXJZYZZXUODAAN-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1cc2ccccc2o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425915776 944169045 /nfs/dbraw/zinc/16/90/45/944169045.db2.gz DXJZYZZXUODAAN-JOCHJYFZSA-N 2 2 350.462 3.502 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000414884394 944288096 /nfs/dbraw/zinc/28/80/96/944288096.db2.gz NYTIASREKGNLPN-ZEQRLZLVSA-N 2 2 373.500 3.993 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc4c(c3)CCCN4)sc2C1 ZINC000414979382 944307654 /nfs/dbraw/zinc/30/76/54/944307654.db2.gz NVBQUCPLKVTJBX-UHFFFAOYSA-N 2 2 356.539 3.558 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc4c(c3)CCCN4)sc2C1 ZINC000414979382 944307668 /nfs/dbraw/zinc/30/76/68/944307668.db2.gz NVBQUCPLKVTJBX-UHFFFAOYSA-N 2 2 356.539 3.558 20 0 FHADLP CC1CC[NH+](CC(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000515975503 944405029 /nfs/dbraw/zinc/40/50/29/944405029.db2.gz RYAPFJDQUXKRRG-UHFFFAOYSA-N 2 2 352.482 3.557 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981953 944492599 /nfs/dbraw/zinc/49/25/99/944492599.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981953 944492603 /nfs/dbraw/zinc/49/26/03/944492603.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981953 944492605 /nfs/dbraw/zinc/49/26/05/944492605.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981953 944492607 /nfs/dbraw/zinc/49/26/07/944492607.db2.gz QNORFYOGJVHWIB-PUTINYOFSA-N 3 2 367.581 3.892 20 0 FHADLP CCN(CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC000426024458 944652551 /nfs/dbraw/zinc/65/25/51/944652551.db2.gz RYDIXKKGSVUCAW-OAHLLOKOSA-N 2 2 354.420 3.797 20 0 FHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020845 944690961 /nfs/dbraw/zinc/69/09/61/944690961.db2.gz YLGXSMGMYIDDBT-GMAHTHKFSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020845 944690966 /nfs/dbraw/zinc/69/09/66/944690966.db2.gz YLGXSMGMYIDDBT-GMAHTHKFSA-N 2 2 350.506 3.863 20 0 FHADLP Fc1cccc(C2CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000390693512 944728931 /nfs/dbraw/zinc/72/89/31/944728931.db2.gz QSFZPVADVCKLPL-SDVLMSEASA-N 2 2 368.496 3.952 20 0 FHADLP Fc1cccc(C2CC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000390693512 944728934 /nfs/dbraw/zinc/72/89/34/944728934.db2.gz QSFZPVADVCKLPL-SDVLMSEASA-N 2 2 368.496 3.952 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000500399181 944754717 /nfs/dbraw/zinc/75/47/17/944754717.db2.gz SAQFUXZEMDZHQB-HSZRJFAPSA-N 2 2 368.521 3.638 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000500399181 944754724 /nfs/dbraw/zinc/75/47/24/944754724.db2.gz SAQFUXZEMDZHQB-HSZRJFAPSA-N 2 2 368.521 3.638 20 0 FHADLP CC[N@H+](CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058584 944765304 /nfs/dbraw/zinc/76/53/04/944765304.db2.gz MFEILWMIQVWJDV-AEFFLSMTSA-N 2 2 363.512 3.893 20 0 FHADLP CC[N@@H+](CCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058584 944765308 /nfs/dbraw/zinc/76/53/08/944765308.db2.gz MFEILWMIQVWJDV-AEFFLSMTSA-N 2 2 363.512 3.893 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000427002072 945004298 /nfs/dbraw/zinc/00/42/98/945004298.db2.gz VKPYHORJWFEPLT-QGZVFWFLSA-N 2 2 362.514 3.573 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000427002072 945004306 /nfs/dbraw/zinc/00/43/06/945004306.db2.gz VKPYHORJWFEPLT-QGZVFWFLSA-N 2 2 362.514 3.573 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414953643 945037856 /nfs/dbraw/zinc/03/78/56/945037856.db2.gz JTWLUOREXVAEJR-WDEREUQCSA-N 2 2 365.827 3.664 20 0 FHADLP COc1cc(OC)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000651638745 945501398 /nfs/dbraw/zinc/50/13/98/945501398.db2.gz IYWMTJVYKSFOFL-SFHVURJKSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1F ZINC000651638745 945501407 /nfs/dbraw/zinc/50/14/07/945501407.db2.gz IYWMTJVYKSFOFL-SFHVURJKSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000651638745 945501413 /nfs/dbraw/zinc/50/14/13/945501413.db2.gz IYWMTJVYKSFOFL-SFHVURJKSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc(OC)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000651638745 945501420 /nfs/dbraw/zinc/50/14/20/945501420.db2.gz IYWMTJVYKSFOFL-SFHVURJKSA-N 2 2 372.484 3.797 20 0 FHADLP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000281408153 945625205 /nfs/dbraw/zinc/62/52/05/945625205.db2.gz ZEAXSDCGEYZDFR-GOSISDBHSA-N 2 2 352.413 3.501 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651695569 945697647 /nfs/dbraw/zinc/69/76/47/945697647.db2.gz OTCNTMQACJFJMA-SFHVURJKSA-N 2 2 353.510 3.900 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000522744231 945738104 /nfs/dbraw/zinc/73/81/04/945738104.db2.gz HZVZHRVECLJBCQ-NRFANRHFSA-N 2 2 362.477 3.685 20 0 FHADLP COC[C@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000651716770 945756290 /nfs/dbraw/zinc/75/62/90/945756290.db2.gz HUIDYLAALUSMSE-QUCCMNQESA-N 2 2 362.558 3.927 20 0 FHADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732105 945938392 /nfs/dbraw/zinc/93/83/92/945938392.db2.gz YJCRPSQOIXDELR-NHCUHLMSSA-N 2 2 350.510 3.893 20 0 FHADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732105 945938396 /nfs/dbraw/zinc/93/83/96/945938396.db2.gz YJCRPSQOIXDELR-NHCUHLMSSA-N 2 2 350.510 3.893 20 0 FHADLP Brc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281942270 945967718 /nfs/dbraw/zinc/96/77/18/945967718.db2.gz PLMFDLBWJSPBGG-CYBMUJFWSA-N 2 2 361.287 3.761 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301809488 945977331 /nfs/dbraw/zinc/97/73/31/945977331.db2.gz CXTATAAZKRFYJQ-BEFAXECRSA-N 2 2 357.527 3.855 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@H]1c1cccs1 ZINC000301809488 945977337 /nfs/dbraw/zinc/97/73/37/945977337.db2.gz CXTATAAZKRFYJQ-BEFAXECRSA-N 2 2 357.527 3.855 20 0 FHADLP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737863 945980743 /nfs/dbraw/zinc/98/07/43/945980743.db2.gz HGLFQRWCZNRVCN-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737863 945980753 /nfs/dbraw/zinc/98/07/53/945980753.db2.gz HGLFQRWCZNRVCN-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737863 945980761 /nfs/dbraw/zinc/98/07/61/945980761.db2.gz HGLFQRWCZNRVCN-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000303737863 945980768 /nfs/dbraw/zinc/98/07/68/945980768.db2.gz HGLFQRWCZNRVCN-XMSQKQJNSA-N 2 2 366.505 3.958 20 0 FHADLP CCc1ncnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1F ZINC000302001179 946073939 /nfs/dbraw/zinc/07/39/39/946073939.db2.gz QKHCOJJQQYMBGS-UHFFFAOYSA-N 2 2 357.477 3.700 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219357 946085220 /nfs/dbraw/zinc/08/52/20/946085220.db2.gz YOMNNZVJDRHYMG-URVUXULASA-N 2 2 371.569 3.840 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219357 946085232 /nfs/dbraw/zinc/08/52/32/946085232.db2.gz YOMNNZVJDRHYMG-URVUXULASA-N 2 2 371.569 3.840 20 0 FHADLP CCc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076411 946110030 /nfs/dbraw/zinc/11/00/30/946110030.db2.gz HKBVQFFTDXOSFJ-CTNGQTDRSA-N 2 2 350.510 3.838 20 0 FHADLP CCc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076411 946110033 /nfs/dbraw/zinc/11/00/33/946110033.db2.gz HKBVQFFTDXOSFJ-CTNGQTDRSA-N 2 2 350.510 3.838 20 0 FHADLP C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444245031 946120902 /nfs/dbraw/zinc/12/09/02/946120902.db2.gz KAGPKUOQCISDCT-IXDOHACOSA-N 2 2 364.493 3.802 20 0 FHADLP C[C@H](C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444245031 946120909 /nfs/dbraw/zinc/12/09/09/946120909.db2.gz KAGPKUOQCISDCT-IXDOHACOSA-N 2 2 364.493 3.802 20 0 FHADLP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4cn5ccccc5n4)CC3)c2c1 ZINC000302140975 946141067 /nfs/dbraw/zinc/14/10/67/946141067.db2.gz DWQWQGUJCTVSAJ-UHFFFAOYSA-N 2 2 357.461 3.513 20 0 FHADLP COc1ccc(C)cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045807177 946163674 /nfs/dbraw/zinc/16/36/74/946163674.db2.gz QWJDATURLMDFHJ-UHFFFAOYSA-N 2 2 373.541 3.530 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383610 946178366 /nfs/dbraw/zinc/17/83/66/946178366.db2.gz BGPWTGLHLBFOSR-RDTXWAMCSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383610 946178373 /nfs/dbraw/zinc/17/83/73/946178373.db2.gz BGPWTGLHLBFOSR-RDTXWAMCSA-N 2 2 363.427 3.542 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247332 946341692 /nfs/dbraw/zinc/34/16/92/946341692.db2.gz RGKSMIKWJJEXFQ-QGPMSJSTSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1cc(Cl)ccc1Cl ZINC000441247332 946341703 /nfs/dbraw/zinc/34/17/03/946341703.db2.gz RGKSMIKWJJEXFQ-QGPMSJSTSA-N 2 2 373.324 3.556 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441366368 946514419 /nfs/dbraw/zinc/51/44/19/946514419.db2.gz SZRAVORQUNLWHW-BJLQDIEVSA-N 2 2 356.514 3.524 20 0 FHADLP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000034991379 946571334 /nfs/dbraw/zinc/57/13/34/946571334.db2.gz SFNIMJQWOAOJCI-UHFFFAOYSA-N 2 2 365.262 3.872 20 0 FHADLP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000123060236 946739494 /nfs/dbraw/zinc/73/94/94/946739494.db2.gz JWONPSROLIGTNP-UHFFFAOYSA-N 2 2 372.394 3.971 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CCO1 ZINC001168074959 946772439 /nfs/dbraw/zinc/77/24/39/946772439.db2.gz MABMDSQQBQXJCF-KSSFIOAISA-N 2 2 356.432 3.827 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810738 /nfs/dbraw/zinc/81/07/38/946810738.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810743 /nfs/dbraw/zinc/81/07/43/946810743.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810752 /nfs/dbraw/zinc/81/07/52/946810752.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877813 946810761 /nfs/dbraw/zinc/81/07/61/946810761.db2.gz ZMNQRIACFCTGGG-RJGXRXQPSA-N 2 2 372.553 3.559 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]CC2C[NH+](C(c3ccccc3)c3ccccc3)C2)CCO1 ZINC001168080394 946911653 /nfs/dbraw/zinc/91/16/53/946911653.db2.gz UYQPKJJBDHXJDI-AVRDEDQJSA-N 2 2 350.506 3.865 20 0 FHADLP c1csc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475332829 946916562 /nfs/dbraw/zinc/91/65/62/946916562.db2.gz LUPUAPYLXCCSNC-KDURUIRLSA-N 2 2 364.518 3.702 20 0 FHADLP c1csc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475332829 946916568 /nfs/dbraw/zinc/91/65/68/946916568.db2.gz LUPUAPYLXCCSNC-KDURUIRLSA-N 2 2 364.518 3.702 20 0 FHADLP c1csc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475332829 946916575 /nfs/dbraw/zinc/91/65/75/946916575.db2.gz LUPUAPYLXCCSNC-KDURUIRLSA-N 2 2 364.518 3.702 20 0 FHADLP c1csc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475332829 946916579 /nfs/dbraw/zinc/91/65/79/946916579.db2.gz LUPUAPYLXCCSNC-KDURUIRLSA-N 2 2 364.518 3.702 20 0 FHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444531954 946978462 /nfs/dbraw/zinc/97/84/62/946978462.db2.gz DBMNLGLJSYGZQH-HNNXBMFYSA-N 2 2 354.498 3.992 20 0 FHADLP Cc1cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(C)[nH+]1 ZINC000301080797 947166166 /nfs/dbraw/zinc/16/61/66/947166166.db2.gz NRPCLTLXPHOUQZ-UHFFFAOYSA-N 2 2 364.415 3.825 20 0 FHADLP Brc1cccc2c(NCCCC[NH+]3CCOCC3)cc[nH+]c12 ZINC000301144705 947202136 /nfs/dbraw/zinc/20/21/36/947202136.db2.gz ADPHECGCDLQEIZ-UHFFFAOYSA-N 2 2 364.287 3.522 20 0 FHADLP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c4ccc(Cl)cc34)cn2)CC1 ZINC000301269340 947260210 /nfs/dbraw/zinc/26/02/10/947260210.db2.gz IZLKBUVJQPCLNM-UHFFFAOYSA-N 2 2 367.884 3.647 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000301433334 947341711 /nfs/dbraw/zinc/34/17/11/947341711.db2.gz QDJJKJCHOYGTEA-SJORKVTESA-N 2 2 367.493 3.701 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000301433334 947341717 /nfs/dbraw/zinc/34/17/17/947341717.db2.gz QDJJKJCHOYGTEA-SJORKVTESA-N 2 2 367.493 3.701 20 0 FHADLP COc1ccc(-n2ccn(C[N@H+](C)CCCn3cc[nH+]c3C)c2=S)cc1 ZINC000162823925 947453916 /nfs/dbraw/zinc/45/39/16/947453916.db2.gz DKEFHJXIOCFHCV-UHFFFAOYSA-N 2 2 371.510 3.501 20 0 FHADLP COc1ccc(-n2ccn(C[N@@H+](C)CCCn3cc[nH+]c3C)c2=S)cc1 ZINC000162823925 947453925 /nfs/dbraw/zinc/45/39/25/947453925.db2.gz DKEFHJXIOCFHCV-UHFFFAOYSA-N 2 2 371.510 3.501 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778705 947599934 /nfs/dbraw/zinc/59/99/34/947599934.db2.gz BVAKXQRLNWMHRK-UNMCSNQZSA-N 2 2 369.553 3.626 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778705 947599928 /nfs/dbraw/zinc/59/99/28/947599928.db2.gz BVAKXQRLNWMHRK-UNMCSNQZSA-N 2 2 369.553 3.626 20 0 FHADLP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319522 947749596 /nfs/dbraw/zinc/74/95/96/947749596.db2.gz JNILZGDQEJVKLT-ROUUACIJSA-N 2 2 369.347 3.943 20 0 FHADLP CC[C@@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319522 947749602 /nfs/dbraw/zinc/74/96/02/947749602.db2.gz JNILZGDQEJVKLT-ROUUACIJSA-N 2 2 369.347 3.943 20 0 FHADLP COC(=O)c1cc2cc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)ccc2o1 ZINC000536367883 947793163 /nfs/dbraw/zinc/79/31/63/947793163.db2.gz FAFRRUDCXCZEPU-UHFFFAOYSA-N 2 2 365.433 3.691 20 0 FHADLP CC(=O)c1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278903795 948052275 /nfs/dbraw/zinc/05/22/75/948052275.db2.gz PPJZWGRTYPPZNP-UHFFFAOYSA-N 2 2 367.493 3.680 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467816 948060426 /nfs/dbraw/zinc/06/04/26/948060426.db2.gz IBECXWAMGYWUQD-GOEBONIOSA-N 2 2 360.933 3.999 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1nc2ccc(Cl)cc2n1C ZINC000663467816 948060435 /nfs/dbraw/zinc/06/04/35/948060435.db2.gz IBECXWAMGYWUQD-GOEBONIOSA-N 2 2 360.933 3.999 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824264 948106799 /nfs/dbraw/zinc/10/67/99/948106799.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824264 948106801 /nfs/dbraw/zinc/10/68/01/948106801.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001167824264 948106802 /nfs/dbraw/zinc/10/68/02/948106802.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001167824264 948106805 /nfs/dbraw/zinc/10/68/05/948106805.db2.gz GKDCVOFVVWGKDM-IPMKNSEASA-N 3 2 364.603 3.550 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCO1 ZINC000432352489 948198122 /nfs/dbraw/zinc/19/81/22/948198122.db2.gz YWAHZKQXVMRLMT-ZDUSSCGKSA-N 2 2 362.848 3.532 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCO1 ZINC000432352489 948198127 /nfs/dbraw/zinc/19/81/27/948198127.db2.gz YWAHZKQXVMRLMT-ZDUSSCGKSA-N 2 2 362.848 3.532 20 0 FHADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](C)[NH+](C)C ZINC000512029767 948226693 /nfs/dbraw/zinc/22/66/93/948226693.db2.gz FAERVJDIMBTGLS-GHMZBOCLSA-N 2 2 365.827 3.616 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Br)s1 ZINC000432371487 948247637 /nfs/dbraw/zinc/24/76/37/948247637.db2.gz ZNJXDZUUBQSTHL-CHWSQXEVSA-N 2 2 361.349 3.662 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Br)s1 ZINC000432371487 948247645 /nfs/dbraw/zinc/24/76/45/948247645.db2.gz ZNJXDZUUBQSTHL-CHWSQXEVSA-N 2 2 361.349 3.662 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(Br)c1 ZINC000512036251 948255324 /nfs/dbraw/zinc/25/53/24/948255324.db2.gz FZDJDXHBJGVVRB-OAHLLOKOSA-N 2 2 369.347 3.915 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(Br)c1 ZINC000512036251 948255335 /nfs/dbraw/zinc/25/53/35/948255335.db2.gz FZDJDXHBJGVVRB-OAHLLOKOSA-N 2 2 369.347 3.915 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000512069538 948351724 /nfs/dbraw/zinc/35/17/24/948351724.db2.gz APPSDUBMLTYDRI-AWEZNQCLSA-N 2 2 364.946 3.617 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3c2cccc3Br)s1 ZINC000512069698 948352417 /nfs/dbraw/zinc/35/24/17/948352417.db2.gz ZKWLHQKPHPHNLU-OAHLLOKOSA-N 2 2 366.328 3.744 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432422041 948385289 /nfs/dbraw/zinc/38/52/89/948385289.db2.gz CFFJUFMFKVSOSC-LSDHHAIUSA-N 2 2 355.320 3.601 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432422041 948385295 /nfs/dbraw/zinc/38/52/95/948385295.db2.gz CFFJUFMFKVSOSC-LSDHHAIUSA-N 2 2 355.320 3.601 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279023674 948408428 /nfs/dbraw/zinc/40/84/28/948408428.db2.gz ANKZYJTWVZDDOY-SFHVURJKSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449320 948449158 /nfs/dbraw/zinc/44/91/58/948449158.db2.gz VDHHCFAFEMBDED-KGLIPLIRSA-N 2 2 360.420 3.579 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449320 948449161 /nfs/dbraw/zinc/44/91/61/948449161.db2.gz VDHHCFAFEMBDED-KGLIPLIRSA-N 2 2 360.420 3.579 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449321 948449591 /nfs/dbraw/zinc/44/95/91/948449591.db2.gz VDHHCFAFEMBDED-UONOGXRCSA-N 2 2 360.420 3.579 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449321 948449594 /nfs/dbraw/zinc/44/95/94/948449594.db2.gz VDHHCFAFEMBDED-UONOGXRCSA-N 2 2 360.420 3.579 20 0 FHADLP CCc1noc(C2CCC(N(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)CC2)n1 ZINC000895110503 948645511 /nfs/dbraw/zinc/64/55/11/948645511.db2.gz NQLHQQDJQLHCIP-QXINMDOSSA-N 2 2 369.513 3.830 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176094 948656781 /nfs/dbraw/zinc/65/67/81/948656781.db2.gz BOOXKSYBVHHUIL-RTBURBONSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176094 948656784 /nfs/dbraw/zinc/65/67/84/948656784.db2.gz BOOXKSYBVHHUIL-RTBURBONSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176094 948656788 /nfs/dbraw/zinc/65/67/88/948656788.db2.gz BOOXKSYBVHHUIL-RTBURBONSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176094 948656793 /nfs/dbraw/zinc/65/67/93/948656793.db2.gz BOOXKSYBVHHUIL-RTBURBONSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623916 210114415 /nfs/dbraw/zinc/11/44/15/210114415.db2.gz CDFGBYJCFCSUDM-GQIGUUNPSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328623916 210114421 /nfs/dbraw/zinc/11/44/21/210114421.db2.gz CDFGBYJCFCSUDM-GQIGUUNPSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623916 210114425 /nfs/dbraw/zinc/11/44/25/210114425.db2.gz CDFGBYJCFCSUDM-GQIGUUNPSA-N 2 2 367.497 3.637 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328623916 210114430 /nfs/dbraw/zinc/11/44/30/210114430.db2.gz CDFGBYJCFCSUDM-GQIGUUNPSA-N 2 2 367.497 3.637 20 0 FHADLP Cc1cc(C)c(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)[nH+]1 ZINC000097219784 210098832 /nfs/dbraw/zinc/09/88/32/210098832.db2.gz WLFZWJKQNNYVTP-IAGOWNOFSA-N 2 2 367.493 3.868 20 0 FHADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000521408182 567884097 /nfs/dbraw/zinc/88/40/97/567884097.db2.gz UUZABDIYAQCFCT-NHCUHLMSSA-N 2 2 373.460 3.537 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000602656780 568006411 /nfs/dbraw/zinc/00/64/11/568006411.db2.gz NNMLQAYIFVRSLJ-APWZRJJASA-N 2 2 354.450 3.524 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)o1 ZINC000602656780 568006412 /nfs/dbraw/zinc/00/64/12/568006412.db2.gz NNMLQAYIFVRSLJ-APWZRJJASA-N 2 2 354.450 3.524 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313943 568248966 /nfs/dbraw/zinc/24/89/66/568248966.db2.gz IWMRKTVXEZMMJA-QZTJIDSGSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313943 568248967 /nfs/dbraw/zinc/24/89/67/568248967.db2.gz IWMRKTVXEZMMJA-QZTJIDSGSA-N 2 2 351.450 3.539 20 0 FHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390887622 568461173 /nfs/dbraw/zinc/46/11/73/568461173.db2.gz WZWCALJAOIYYCP-WIYYLYMNSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390887622 568461175 /nfs/dbraw/zinc/46/11/75/568461175.db2.gz WZWCALJAOIYYCP-WIYYLYMNSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000605095087 568562912 /nfs/dbraw/zinc/56/29/12/568562912.db2.gz WFKDSNIGWZSZLL-SFHVURJKSA-N 2 2 374.488 3.828 20 0 FHADLP CC1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000605126893 568579880 /nfs/dbraw/zinc/57/98/80/568579880.db2.gz WSWHJAONDVYXJY-UHFFFAOYSA-N 2 2 374.488 3.609 20 0 FHADLP CC1(C)CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000605126893 568579881 /nfs/dbraw/zinc/57/98/81/568579881.db2.gz WSWHJAONDVYXJY-UHFFFAOYSA-N 2 2 374.488 3.609 20 0 FHADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555658 598249353 /nfs/dbraw/zinc/24/93/53/598249353.db2.gz PBNNSVRMGURTAG-MRXNPFEDSA-N 2 2 373.464 3.636 20 0 FHADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736555658 598249355 /nfs/dbraw/zinc/24/93/55/598249355.db2.gz PBNNSVRMGURTAG-MRXNPFEDSA-N 2 2 373.464 3.636 20 0 FHADLP c1csc(C[N@@H+]2CCOC3(CCN(c4cc(C5CC5)cc[nH+]4)CC3)C2)c1 ZINC001164698289 719893775 /nfs/dbraw/zinc/89/37/75/719893775.db2.gz QXTAZGLFAYFPET-UHFFFAOYSA-N 2 2 369.534 3.892 20 0 FHADLP c1csc(C[N@H+]2CCOC3(CCN(c4cc(C5CC5)cc[nH+]4)CC3)C2)c1 ZINC001164698289 719893781 /nfs/dbraw/zinc/89/37/81/719893781.db2.gz QXTAZGLFAYFPET-UHFFFAOYSA-N 2 2 369.534 3.892 20 0 FHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C)cc[nH+]2)CC1 ZINC001165018295 721837374 /nfs/dbraw/zinc/83/73/74/721837374.db2.gz WMGDPWXLPOCDKS-UHFFFAOYSA-N 2 2 355.482 3.508 20 0 FHADLP COC(=O)c1ccc(-c2ccc(N3CCC(C[NH+](C)C)CC3)[nH+]c2C)cc1 ZINC001165044944 721948612 /nfs/dbraw/zinc/94/86/12/721948612.db2.gz KORGQHRXRITKQM-UHFFFAOYSA-N 2 2 367.493 3.622 20 0 FHADLP CCc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC001164996224 722208602 /nfs/dbraw/zinc/20/86/02/722208602.db2.gz RTOXLHSJXNQGDQ-OAQYLSRUSA-N 2 2 354.473 3.731 20 0 FHADLP CCc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC001164996224 722208604 /nfs/dbraw/zinc/20/86/04/722208604.db2.gz RTOXLHSJXNQGDQ-OAQYLSRUSA-N 2 2 354.473 3.731 20 0 FHADLP COc1ccccc1[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC(C)C ZINC000274602278 927218114 /nfs/dbraw/zinc/21/81/14/927218114.db2.gz QDZRXMOHXCMTDP-NRFANRHFSA-N 2 2 369.509 3.815 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153825 927376863 /nfs/dbraw/zinc/37/68/63/927376863.db2.gz YNNOODWOBRYJLQ-OAQYLSRUSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153825 927376873 /nfs/dbraw/zinc/37/68/73/927376873.db2.gz YNNOODWOBRYJLQ-OAQYLSRUSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153825 927376889 /nfs/dbraw/zinc/37/68/89/927376889.db2.gz YNNOODWOBRYJLQ-OAQYLSRUSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153825 927376900 /nfs/dbraw/zinc/37/69/00/927376900.db2.gz YNNOODWOBRYJLQ-OAQYLSRUSA-N 2 2 372.534 3.863 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206769270 927797162 /nfs/dbraw/zinc/79/71/62/927797162.db2.gz NZQSFSLXWFIRIV-UKRRQHHQSA-N 2 2 355.320 3.796 20 0 FHADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)cc1Br ZINC001206769270 927797184 /nfs/dbraw/zinc/79/71/84/927797184.db2.gz NZQSFSLXWFIRIV-UKRRQHHQSA-N 2 2 355.320 3.796 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000430219414 928250669 /nfs/dbraw/zinc/25/06/69/928250669.db2.gz NAQSUXYSGGLYAA-OAHLLOKOSA-N 2 2 370.946 3.786 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547737348 929124194 /nfs/dbraw/zinc/12/41/94/929124194.db2.gz MZSMTKAWYBROHG-KRWDZBQOSA-N 2 2 363.571 3.608 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547737348 929124203 /nfs/dbraw/zinc/12/42/03/929124203.db2.gz MZSMTKAWYBROHG-KRWDZBQOSA-N 2 2 363.571 3.608 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1F ZINC000180177670 929400440 /nfs/dbraw/zinc/40/04/40/929400440.db2.gz OFEXLNXDWCZOQJ-QFIPXVFZSA-N 2 2 355.501 3.814 20 0 FHADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)o1 ZINC000683642528 929655436 /nfs/dbraw/zinc/65/54/36/929655436.db2.gz ZWJYWZSCQTVBRY-UHFFFAOYSA-N 2 2 371.481 3.508 20 0 FHADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000261959749 930315586 /nfs/dbraw/zinc/31/55/86/930315586.db2.gz OOOZSAQJBPOOCH-VIFPVBQESA-N 2 2 364.704 3.645 20 0 FHADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000564585604 930339997 /nfs/dbraw/zinc/33/99/97/930339997.db2.gz MDHFPNLFDYGYBO-LYGNXSNRSA-N 2 2 355.526 3.529 20 0 FHADLP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000312735748 930367308 /nfs/dbraw/zinc/36/73/08/930367308.db2.gz WWPCZDUQWIPEEY-DEOSSOPVSA-N 2 2 363.549 3.558 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000656253806 930870733 /nfs/dbraw/zinc/87/07/33/930870733.db2.gz WYCXCMYMJZWQGE-SFHVURJKSA-N 2 2 356.489 3.628 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000656253806 930870734 /nfs/dbraw/zinc/87/07/34/930870734.db2.gz WYCXCMYMJZWQGE-SFHVURJKSA-N 2 2 356.489 3.628 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000261742127 931253383 /nfs/dbraw/zinc/25/33/83/931253383.db2.gz IQKYCPKBFNDKFT-IIBYNOLFSA-N 2 2 367.493 3.649 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3[C@@H](C)[NH3+])c2)cc1 ZINC000261742127 931253386 /nfs/dbraw/zinc/25/33/86/931253386.db2.gz IQKYCPKBFNDKFT-IIBYNOLFSA-N 2 2 367.493 3.649 20 0 FHADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000580860405 931275564 /nfs/dbraw/zinc/27/55/64/931275564.db2.gz ASJOTRUZWLUPBJ-SAWYMBPVSA-N 2 2 362.477 3.736 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCCn1cc[nH+]c1 ZINC000580975086 931442909 /nfs/dbraw/zinc/44/29/09/931442909.db2.gz SFNPUDBQBCESSM-ZDUSSCGKSA-N 2 2 354.267 3.786 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560708 931849998 /nfs/dbraw/zinc/84/99/98/931849998.db2.gz HRPIWLIEVRWZEF-WBVHZDCISA-N 2 2 366.575 3.503 20 0 FHADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560708 931850005 /nfs/dbraw/zinc/85/00/05/931850005.db2.gz HRPIWLIEVRWZEF-WBVHZDCISA-N 2 2 366.575 3.503 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000430568053 931899866 /nfs/dbraw/zinc/89/98/66/931899866.db2.gz GTZALVKDJGXUKC-LBPRGKRZSA-N 2 2 358.313 3.642 20 0 FHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1 ZINC000430572409 931911770 /nfs/dbraw/zinc/91/17/70/931911770.db2.gz OCLAUCNXLJLOJP-NRFANRHFSA-N 2 2 355.482 3.689 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430578420 931936092 /nfs/dbraw/zinc/93/60/92/931936092.db2.gz WVLGFFMTRCJVII-NHCUHLMSSA-N 2 2 373.928 3.509 20 0 FHADLP COC(=O)C1CC[NH+](CCCNc2cc[nH+]c3c(Cl)cccc23)CC1 ZINC000581446236 932095003 /nfs/dbraw/zinc/09/50/03/932095003.db2.gz KNAFCIIJWOCFCS-UHFFFAOYSA-N 2 2 361.873 3.575 20 0 FHADLP C[NH+](C)C1CC([NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000581676751 932471486 /nfs/dbraw/zinc/47/14/86/932471486.db2.gz GJANFNLEVVGEHP-UHFFFAOYSA-N 2 2 357.885 3.775 20 0 FHADLP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000581973401 933148344 /nfs/dbraw/zinc/14/83/44/933148344.db2.gz LUGGIVNZLLQSPC-RXVVDRJESA-N 2 2 365.452 3.988 20 0 FHADLP FC(F)(F)CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510609072 933275484 /nfs/dbraw/zinc/27/54/84/933275484.db2.gz OOCYQXYXRVTNER-UHFFFAOYSA-N 2 2 369.475 3.863 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000510708678 933479166 /nfs/dbraw/zinc/47/91/66/933479166.db2.gz BTFRJUJEYJBUED-UHFFFAOYSA-N 2 2 354.498 3.567 20 0 FHADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156560424 933774095 /nfs/dbraw/zinc/77/40/95/933774095.db2.gz PPQSKWWCNIQREK-BBRMVZONSA-N 2 2 357.845 3.670 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156560424 933774101 /nfs/dbraw/zinc/77/41/01/933774101.db2.gz PPQSKWWCNIQREK-BBRMVZONSA-N 2 2 357.845 3.670 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)c(OC)s2)CC1 ZINC000092165433 933970299 /nfs/dbraw/zinc/97/02/99/933970299.db2.gz NQQPATJQRSHBDD-UHFFFAOYSA-N 2 2 361.349 3.825 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(OC)s2)CC1 ZINC000092165433 933970313 /nfs/dbraw/zinc/97/03/13/933970313.db2.gz NQQPATJQRSHBDD-UHFFFAOYSA-N 2 2 361.349 3.825 20 0 FHADLP Brc1c[nH+]ccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000548479910 934102099 /nfs/dbraw/zinc/10/20/99/934102099.db2.gz MCXVSAAOHHFCCR-AWEZNQCLSA-N 2 2 352.301 3.577 20 0 FHADLP COc1c(C)cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000092645215 934119989 /nfs/dbraw/zinc/11/99/89/934119989.db2.gz VBWUFBGIVTWHOO-UHFFFAOYSA-N 2 2 367.537 3.846 20 0 FHADLP COc1c(C)cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C ZINC000092645215 934119992 /nfs/dbraw/zinc/11/99/92/934119992.db2.gz VBWUFBGIVTWHOO-UHFFFAOYSA-N 2 2 367.537 3.846 20 0 FHADLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OCC(F)(F)F ZINC000092648639 934122584 /nfs/dbraw/zinc/12/25/84/934122584.db2.gz XKDHZXILSOTCJG-UHFFFAOYSA-N 2 2 369.387 3.670 20 0 FHADLP Cn1c2ccccc2[nH+]c1NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000535692717 934270942 /nfs/dbraw/zinc/27/09/42/934270942.db2.gz NTLNGPBRXUUAOD-UHFFFAOYSA-N 2 2 360.461 3.832 20 0 FHADLP Cn1c2ccccc2[nH+]c1NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000535692717 934270955 /nfs/dbraw/zinc/27/09/55/934270955.db2.gz NTLNGPBRXUUAOD-UHFFFAOYSA-N 2 2 360.461 3.832 20 0 FHADLP Cc1cc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)c(C)c[nH+]1 ZINC000535772779 934362670 /nfs/dbraw/zinc/36/26/70/934362670.db2.gz NRWKDYDJVDJNRX-SFHVURJKSA-N 2 2 366.509 3.816 20 0 FHADLP Cc1cc(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C)c[nH+]1 ZINC000535772779 934362681 /nfs/dbraw/zinc/36/26/81/934362681.db2.gz NRWKDYDJVDJNRX-SFHVURJKSA-N 2 2 366.509 3.816 20 0 FHADLP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000535782169 934372452 /nfs/dbraw/zinc/37/24/52/934372452.db2.gz SXTPOWCBOOAFKV-QFIPXVFZSA-N 2 2 358.526 3.695 20 0 FHADLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808442 934415677 /nfs/dbraw/zinc/41/56/77/934415677.db2.gz FXMXDWBHMSWZSR-TZIWHRDSSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808442 934415682 /nfs/dbraw/zinc/41/56/82/934415682.db2.gz FXMXDWBHMSWZSR-TZIWHRDSSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000535808442 934415685 /nfs/dbraw/zinc/41/56/85/934415685.db2.gz FXMXDWBHMSWZSR-TZIWHRDSSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000535808442 934415689 /nfs/dbraw/zinc/41/56/89/934415689.db2.gz FXMXDWBHMSWZSR-TZIWHRDSSA-N 2 2 351.494 3.582 20 0 FHADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974312 934465441 /nfs/dbraw/zinc/46/54/41/934465441.db2.gz DPEATCTVGINMHL-UTKZUKDTSA-N 2 2 358.505 3.606 20 0 FHADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C1 ZINC000180974312 934465448 /nfs/dbraw/zinc/46/54/48/934465448.db2.gz DPEATCTVGINMHL-UTKZUKDTSA-N 2 2 358.505 3.606 20 0 FHADLP CC1(C)CC2(CC([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C2)CO1 ZINC000926329906 934813493 /nfs/dbraw/zinc/81/34/93/934813493.db2.gz HOKPVYGSXVVTLS-UHFFFAOYSA-N 2 2 360.464 3.729 20 0 FHADLP CCOCc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000151645233 934831742 /nfs/dbraw/zinc/83/17/42/934831742.db2.gz ZGYPJBKPYJVRRI-AVRDEDQJSA-N 2 2 353.510 3.618 20 0 FHADLP CCOCc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000151645233 934831746 /nfs/dbraw/zinc/83/17/46/934831746.db2.gz ZGYPJBKPYJVRRI-AVRDEDQJSA-N 2 2 353.510 3.618 20 0 FHADLP COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000533831201 934838306 /nfs/dbraw/zinc/83/83/06/934838306.db2.gz NYSAZAGEJJYPNJ-QZTJIDSGSA-N 2 2 362.514 3.880 20 0 FHADLP COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1C ZINC000533831201 934838311 /nfs/dbraw/zinc/83/83/11/934838311.db2.gz NYSAZAGEJJYPNJ-QZTJIDSGSA-N 2 2 362.514 3.880 20 0 FHADLP C[C@H](CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236900 935197476 /nfs/dbraw/zinc/19/74/76/935197476.db2.gz AEEMAVKIHVFJSU-CEXWTWQISA-N 2 2 368.525 3.629 20 0 FHADLP C[C@H](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236900 935197478 /nfs/dbraw/zinc/19/74/78/935197478.db2.gz AEEMAVKIHVFJSU-CEXWTWQISA-N 2 2 368.525 3.629 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665276 935212262 /nfs/dbraw/zinc/21/22/62/935212262.db2.gz XJIAWLBMPGYQNH-PBHICJAKSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665276 935212267 /nfs/dbraw/zinc/21/22/67/935212267.db2.gz XJIAWLBMPGYQNH-PBHICJAKSA-N 2 2 372.900 3.689 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(C3CCC3)cnn2C)cc1F ZINC000657328938 935230000 /nfs/dbraw/zinc/23/00/00/935230000.db2.gz HWPVQWXSRPRSPV-UHFFFAOYSA-N 2 2 353.445 3.611 20 0 FHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000564664318 935297869 /nfs/dbraw/zinc/29/78/69/935297869.db2.gz NSVGEUUXSCTLKS-KDURUIRLSA-N 2 2 358.574 3.504 20 0 FHADLP Cc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000564664318 935297874 /nfs/dbraw/zinc/29/78/74/935297874.db2.gz NSVGEUUXSCTLKS-KDURUIRLSA-N 2 2 358.574 3.504 20 0 FHADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000516644894 945093305 /nfs/dbraw/zinc/09/33/05/945093305.db2.gz GUBIWPKGIRWLLV-MRXNPFEDSA-N 2 2 369.431 3.641 20 0 FHADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000516644894 945093310 /nfs/dbraw/zinc/09/33/10/945093310.db2.gz GUBIWPKGIRWLLV-MRXNPFEDSA-N 2 2 369.431 3.641 20 0 FHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1=O ZINC000518164711 945091776 /nfs/dbraw/zinc/09/17/76/945091776.db2.gz VSFDNVCLDSSCKE-MSPZUWAUSA-N 2 2 367.468 3.612 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCOC2=O)cc1 ZINC000152223927 935316528 /nfs/dbraw/zinc/31/65/28/935316528.db2.gz AAWZACZFPYBPAU-MRXNPFEDSA-N 2 2 362.433 3.680 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1cccs1 ZINC000427122210 945107367 /nfs/dbraw/zinc/10/73/67/945107367.db2.gz ASRJFGONUDLAAR-FUHWJXTLSA-N 2 2 358.507 3.520 20 0 FHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1cccs1 ZINC000427122210 945107369 /nfs/dbraw/zinc/10/73/69/945107369.db2.gz ASRJFGONUDLAAR-FUHWJXTLSA-N 2 2 358.507 3.520 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccccc1 ZINC000427135236 945114850 /nfs/dbraw/zinc/11/48/50/945114850.db2.gz IHIHGHHXUOSZFC-SFTDATJTSA-N 2 2 366.505 3.848 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccccc1 ZINC000427135236 945114854 /nfs/dbraw/zinc/11/48/54/945114854.db2.gz IHIHGHHXUOSZFC-SFTDATJTSA-N 2 2 366.505 3.848 20 0 FHADLP COC(=O)c1cccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448171 935721584 /nfs/dbraw/zinc/72/15/84/935721584.db2.gz UBVGTRNUWKTEHK-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448171 935721587 /nfs/dbraw/zinc/72/15/87/935721587.db2.gz UBVGTRNUWKTEHK-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448171 935721591 /nfs/dbraw/zinc/72/15/91/935721591.db2.gz UBVGTRNUWKTEHK-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP COC(=O)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000582448171 935721595 /nfs/dbraw/zinc/72/15/95/935721595.db2.gz UBVGTRNUWKTEHK-GCJKJVERSA-N 2 2 366.505 3.958 20 0 FHADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000511150673 935806921 /nfs/dbraw/zinc/80/69/21/935806921.db2.gz BCYSUWYLDQTGNU-NRFANRHFSA-N 2 2 360.505 3.841 20 0 FHADLP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511150673 935806923 /nfs/dbraw/zinc/80/69/23/935806923.db2.gz BCYSUWYLDQTGNU-NRFANRHFSA-N 2 2 360.505 3.841 20 0 FHADLP COCc1csc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000657453048 935809848 /nfs/dbraw/zinc/80/98/48/935809848.db2.gz QBAOBFCQIGDXAW-UHFFFAOYSA-N 2 2 362.461 3.789 20 0 FHADLP COc1cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC(F)F ZINC000152755784 935855164 /nfs/dbraw/zinc/85/51/64/935855164.db2.gz ARCNEMBJEVZKOC-CYBMUJFWSA-N 2 2 365.424 3.723 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@@H+]1C ZINC000130660081 935902255 /nfs/dbraw/zinc/90/22/55/935902255.db2.gz NTYIGZAEOKKOOF-CRAIPNDOSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000130660081 935902257 /nfs/dbraw/zinc/90/22/57/935902257.db2.gz NTYIGZAEOKKOOF-CRAIPNDOSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660081 935902259 /nfs/dbraw/zinc/90/22/59/935902259.db2.gz NTYIGZAEOKKOOF-CRAIPNDOSA-N 2 2 352.482 3.748 20 0 FHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cc3ccccc3o2)CC[NH+]1C ZINC000130660081 935902261 /nfs/dbraw/zinc/90/22/61/935902261.db2.gz NTYIGZAEOKKOOF-CRAIPNDOSA-N 2 2 352.482 3.748 20 0 FHADLP C[NH+]1CCC(CNC(=O)c2ccc3sccc3c2)([NH+]2CCCCC2)CC1 ZINC000472244808 935972299 /nfs/dbraw/zinc/97/22/99/935972299.db2.gz UMCKXWPYCRFORG-UHFFFAOYSA-N 2 2 371.550 3.581 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])n2)CC1 ZINC000582724163 935989552 /nfs/dbraw/zinc/98/95/52/935989552.db2.gz BYBUNQLXILMLSZ-SJORKVTESA-N 2 2 364.559 3.611 20 0 FHADLP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000077417516 936051094 /nfs/dbraw/zinc/05/10/94/936051094.db2.gz UHELOPQTMPPJCL-OAHLLOKOSA-N 2 2 371.916 3.824 20 0 FHADLP CO[C@](C)(C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)COCc1ccccc1 ZINC000657591385 936069559 /nfs/dbraw/zinc/06/95/59/936069559.db2.gz HARUDRQUKWVODI-HXUWFJFHSA-N 2 2 371.506 3.645 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)CC1 ZINC000657655348 936169282 /nfs/dbraw/zinc/16/92/82/936169282.db2.gz DNLTUORGAYBVMW-WMZOPIPTSA-N 2 2 356.432 3.566 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1c(C)nn(C)c1C ZINC000133744550 936254530 /nfs/dbraw/zinc/25/45/30/936254530.db2.gz VBJIZHIJXJFZLF-OAQYLSRUSA-N 2 2 372.532 3.924 20 0 FHADLP CCOc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC ZINC000078887967 936305600 /nfs/dbraw/zinc/30/56/00/936305600.db2.gz PGPYGHDLLBGBKI-UHFFFAOYSA-N 2 2 351.450 3.629 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798741 938278162 /nfs/dbraw/zinc/27/81/62/938278162.db2.gz VRGBOEUDNIPYOB-HXUWFJFHSA-N 2 2 364.537 3.852 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)n2c1CCCC2 ZINC000548798741 938278163 /nfs/dbraw/zinc/27/81/63/938278163.db2.gz VRGBOEUDNIPYOB-HXUWFJFHSA-N 2 2 364.537 3.852 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708747 938291417 /nfs/dbraw/zinc/29/14/17/938291417.db2.gz KVDDDXTWHSCJQG-KXBFYZLASA-N 2 2 352.906 3.698 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708747 938291418 /nfs/dbraw/zinc/29/14/18/938291418.db2.gz KVDDDXTWHSCJQG-KXBFYZLASA-N 2 2 352.906 3.698 20 0 FHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583722140 938378174 /nfs/dbraw/zinc/37/81/74/938378174.db2.gz IYKZGAFXNANSRM-ZGQXGDRLSA-N 2 2 368.468 3.780 20 0 FHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583722140 938378178 /nfs/dbraw/zinc/37/81/78/938378178.db2.gz IYKZGAFXNANSRM-ZGQXGDRLSA-N 2 2 368.468 3.780 20 0 FHADLP Brc1cccc2c1OCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000151126842 938388103 /nfs/dbraw/zinc/38/81/03/938388103.db2.gz XVMCAIIEDRCVAO-HNNXBMFYSA-N 2 2 350.260 3.539 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC000151351437 938532868 /nfs/dbraw/zinc/53/28/68/938532868.db2.gz MSZYVPKFYQZPOK-MRXNPFEDSA-N 2 2 351.450 3.799 20 0 FHADLP C[C@@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@H]([NH3+])c1ccccc1 ZINC000584110969 938605392 /nfs/dbraw/zinc/60/53/92/938605392.db2.gz CTMNTJCFWWSEHT-QAPCUYQASA-N 2 2 372.538 3.650 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C(F)F)nc1 ZINC000657841728 938699845 /nfs/dbraw/zinc/69/98/45/938699845.db2.gz QYHFQTGBBDRPBD-OAHLLOKOSA-N 2 2 361.436 3.702 20 0 FHADLP Cc1ccc(-c2noc(CCC[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000080960242 938710281 /nfs/dbraw/zinc/71/02/81/938710281.db2.gz XDBATMIHCCWQCP-INIZCTEOSA-N 2 2 369.444 3.719 20 0 FHADLP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)cc1F ZINC000080960242 938710284 /nfs/dbraw/zinc/71/02/84/938710284.db2.gz XDBATMIHCCWQCP-INIZCTEOSA-N 2 2 369.444 3.719 20 0 FHADLP Cc1ccc2c(C[N@@H+](C)C3CCN(c4cccc[nH+]4)CC3)cc(=O)oc2c1 ZINC000080968452 938710668 /nfs/dbraw/zinc/71/06/68/938710668.db2.gz IJUXIVIBHJTVGA-UHFFFAOYSA-N 2 2 363.461 3.597 20 0 FHADLP Cc1ccc2c(C[N@H+](C)C3CCN(c4cccc[nH+]4)CC3)cc(=O)oc2c1 ZINC000080968452 938710671 /nfs/dbraw/zinc/71/06/71/938710671.db2.gz IJUXIVIBHJTVGA-UHFFFAOYSA-N 2 2 363.461 3.597 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)on1 ZINC000584401105 938820283 /nfs/dbraw/zinc/82/02/83/938820283.db2.gz CJPLVAGDMCMVCC-HXUWFJFHSA-N 2 2 365.477 3.981 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000089512856 938864949 /nfs/dbraw/zinc/86/49/49/938864949.db2.gz RRRFQZPISRKRRN-CQSZACIVSA-N 2 2 361.921 3.834 20 0 FHADLP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1cccc(F)c1 ZINC000584437612 938879177 /nfs/dbraw/zinc/87/91/77/938879177.db2.gz PJAFREAQRCRIFZ-UHFFFAOYSA-N 2 2 358.486 3.637 20 0 FHADLP COc1cc(F)cc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000090972028 938884925 /nfs/dbraw/zinc/88/49/25/938884925.db2.gz NMPXXCJROWKWAS-UHFFFAOYSA-N 2 2 360.448 3.770 20 0 FHADLP CCOC1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000657887879 938981961 /nfs/dbraw/zinc/98/19/61/938981961.db2.gz KLUVKSMTQXNOEN-KMFTYDHNSA-N 2 2 360.542 3.824 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470658 938989414 /nfs/dbraw/zinc/98/94/14/938989414.db2.gz DBUCFFONNJAUEQ-FPOVZHCZSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000685470658 938989415 /nfs/dbraw/zinc/98/94/15/938989415.db2.gz DBUCFFONNJAUEQ-FPOVZHCZSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000685470658 938989416 /nfs/dbraw/zinc/98/94/16/938989416.db2.gz DBUCFFONNJAUEQ-FPOVZHCZSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000685470658 938989417 /nfs/dbraw/zinc/98/94/17/938989417.db2.gz DBUCFFONNJAUEQ-FPOVZHCZSA-N 2 2 351.494 3.673 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572096 938992025 /nfs/dbraw/zinc/99/20/25/938992025.db2.gz CTKJLKDHBQNZQX-AEFFLSMTSA-N 2 2 368.912 3.845 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572096 938992026 /nfs/dbraw/zinc/99/20/26/938992026.db2.gz CTKJLKDHBQNZQX-AEFFLSMTSA-N 2 2 368.912 3.845 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+]C[C@@]3([NH+](C)C)CCSC3)cc2cc1OC ZINC000657898463 938993054 /nfs/dbraw/zinc/99/30/54/938993054.db2.gz OPHBQANZKZUSCZ-BTYIYWSLSA-N 2 2 374.550 3.945 20 0 FHADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000563951279 938996254 /nfs/dbraw/zinc/99/62/54/938996254.db2.gz VSTSEEMVQASTCQ-SQNIBIBYSA-N 2 2 355.869 3.570 20 0 FHADLP Oc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(C(F)(F)F)c1 ZINC000685613038 939005183 /nfs/dbraw/zinc/00/51/83/939005183.db2.gz WFBFAJZBUZAWDQ-UHFFFAOYSA-N 2 2 351.372 3.565 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000685648488 939008335 /nfs/dbraw/zinc/00/83/35/939008335.db2.gz RFTZTVJOODGVDF-YJBOKZPZSA-N 2 2 351.450 3.769 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)CCCO2 ZINC000657951755 939010720 /nfs/dbraw/zinc/01/07/20/939010720.db2.gz AEFRCEKTZLFBIY-JXFKEZNVSA-N 2 2 366.509 3.720 20 0 FHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657980704 939015299 /nfs/dbraw/zinc/01/52/99/939015299.db2.gz OHHANOHIPHLQEU-IRXDYDNUSA-N 2 2 362.315 3.817 20 0 FHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657980706 939015302 /nfs/dbraw/zinc/01/53/02/939015302.db2.gz OHHANOHIPHLQEU-SJORKVTESA-N 2 2 362.315 3.817 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658054744 939020831 /nfs/dbraw/zinc/02/08/31/939020831.db2.gz GNQAUZRIUMYOTL-CRAIPNDOSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658054744 939020832 /nfs/dbraw/zinc/02/08/32/939020832.db2.gz GNQAUZRIUMYOTL-CRAIPNDOSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658077489 939021155 /nfs/dbraw/zinc/02/11/55/939021155.db2.gz CXMCIFSWBZGNML-XJKSGUPXSA-N 2 2 356.436 3.628 20 0 FHADLP CNC(=O)CC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000658306006 939095682 /nfs/dbraw/zinc/09/56/82/939095682.db2.gz MJLPRQCJCYWQNI-QGZVFWFLSA-N 2 2 354.498 3.610 20 0 FHADLP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000658294179 939100069 /nfs/dbraw/zinc/10/00/69/939100069.db2.gz LZQJETDQVSUDOW-IFMALSPDSA-N 2 2 370.537 3.622 20 0 FHADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316338 939109136 /nfs/dbraw/zinc/10/91/36/939109136.db2.gz DZOZYLILMUNFLU-AZUAARDMSA-N 2 2 352.526 3.856 20 0 FHADLP CCn1ccnc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316338 939109137 /nfs/dbraw/zinc/10/91/37/939109137.db2.gz DZOZYLILMUNFLU-AZUAARDMSA-N 2 2 352.526 3.856 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@H]3CCc4cccnc4CC3)C2)CC1 ZINC000421850399 939133185 /nfs/dbraw/zinc/13/31/85/939133185.db2.gz DKOHSEUIRSYKRJ-AOCRQIFASA-N 2 2 367.459 3.724 20 0 FHADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136838 /nfs/dbraw/zinc/13/68/38/939136838.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 3 2 371.613 3.993 20 0 FHADLP CC[N@H+]1CC[C@@H]([NH+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136839 /nfs/dbraw/zinc/13/68/39/939136839.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@@H]([N@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136841 /nfs/dbraw/zinc/13/68/41/939136841.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 3 2 371.613 3.993 20 0 FHADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC001167686508 939136845 /nfs/dbraw/zinc/13/68/45/939136845.db2.gz RIXAVWOCMAEULS-XUZZJYLKSA-N 3 2 371.613 3.993 20 0 FHADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000507496436 945267120 /nfs/dbraw/zinc/26/71/20/945267120.db2.gz OWQPTOIHOFGHOO-IAGOWNOFSA-N 2 2 370.516 3.947 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804896 939920544 /nfs/dbraw/zinc/92/05/44/939920544.db2.gz KBCJSAPFQFWMPV-ZAHAJLKSSA-N 2 2 357.448 3.873 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375804896 939920545 /nfs/dbraw/zinc/92/05/45/939920545.db2.gz KBCJSAPFQFWMPV-ZAHAJLKSSA-N 2 2 357.448 3.873 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)CC1CC1 ZINC000584479130 940054804 /nfs/dbraw/zinc/05/48/04/940054804.db2.gz MPIFMJWOFODNAD-UHFFFAOYSA-N 2 2 368.525 3.617 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)CC1CC1 ZINC000584479130 940054808 /nfs/dbraw/zinc/05/48/08/940054808.db2.gz MPIFMJWOFODNAD-UHFFFAOYSA-N 2 2 368.525 3.617 20 0 FHADLP Fc1ccc(CC[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000685840145 940431157 /nfs/dbraw/zinc/43/11/57/940431157.db2.gz MJQAWJYZKRCYOV-UHFFFAOYSA-N 2 2 362.876 3.644 20 0 FHADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000414085323 940488351 /nfs/dbraw/zinc/48/83/51/940488351.db2.gz YFFIZYLNKAHMRG-CQSZACIVSA-N 2 2 361.511 3.621 20 0 FHADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000414085323 940488352 /nfs/dbraw/zinc/48/83/52/940488352.db2.gz YFFIZYLNKAHMRG-CQSZACIVSA-N 2 2 361.511 3.621 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233069 940809127 /nfs/dbraw/zinc/80/91/27/940809127.db2.gz QWXYBDUAUSSMRF-DYESRHJHSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233069 940809130 /nfs/dbraw/zinc/80/91/30/940809130.db2.gz QWXYBDUAUSSMRF-DYESRHJHSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428145 940978522 /nfs/dbraw/zinc/97/85/22/940978522.db2.gz NNBQHZHHWVSBTD-UIAACRFSSA-N 2 2 355.457 3.545 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000376428145 940978525 /nfs/dbraw/zinc/97/85/25/940978525.db2.gz NNBQHZHHWVSBTD-UIAACRFSSA-N 2 2 355.457 3.545 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000549142199 941521377 /nfs/dbraw/zinc/52/13/77/941521377.db2.gz GKVXMRVBCSPHOI-KRWDZBQOSA-N 2 2 367.493 3.642 20 0 FHADLP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc(OC)c1OCc1ccccc1 ZINC000415053482 941568021 /nfs/dbraw/zinc/56/80/21/941568021.db2.gz JZPGSCQJGKYNSL-HXUWFJFHSA-N 2 2 372.509 3.746 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C ZINC000415062756 941581099 /nfs/dbraw/zinc/58/10/99/941581099.db2.gz GCIQRPNWALCZDQ-JXFKEZNVSA-N 2 2 353.510 3.873 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415084674 941595435 /nfs/dbraw/zinc/59/54/35/941595435.db2.gz PFKYXVHBYGGCDR-YSZBQJHXSA-N 2 2 364.537 3.690 20 0 FHADLP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000415084674 941595439 /nfs/dbraw/zinc/59/54/39/941595439.db2.gz PFKYXVHBYGGCDR-YSZBQJHXSA-N 2 2 364.537 3.690 20 0 FHADLP CC(C)(C)[NH2+]CC[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415120256 941616462 /nfs/dbraw/zinc/61/64/62/941616462.db2.gz LGGLCWAHNDMWQK-UHFFFAOYSA-N 2 2 358.357 3.936 20 0 FHADLP CC(C)(C)[NH2+]CCNC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415120256 941616464 /nfs/dbraw/zinc/61/64/64/941616464.db2.gz LGGLCWAHNDMWQK-UHFFFAOYSA-N 2 2 358.357 3.936 20 0 FHADLP Cc1cn2cc(NC(=O)NC[C@@H]([NH3+])c3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000415129400 941622693 /nfs/dbraw/zinc/62/26/93/941622693.db2.gz PJASURAHHTUGTN-GOSISDBHSA-N 2 2 351.454 3.588 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)[C@H](C)C1 ZINC000513398811 941895027 /nfs/dbraw/zinc/89/50/27/941895027.db2.gz ADIQKURTWNJBHK-CCKFTAQKSA-N 2 2 352.469 3.679 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c2c(F)ccc3F)[C@H](C)C1 ZINC000513398811 941895031 /nfs/dbraw/zinc/89/50/31/941895031.db2.gz ADIQKURTWNJBHK-CCKFTAQKSA-N 2 2 352.469 3.679 20 0 FHADLP Fc1cc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc(F)c1F ZINC000513403510 941899003 /nfs/dbraw/zinc/89/90/03/941899003.db2.gz UZJWQNZVHKGGAB-UHFFFAOYSA-N 2 2 354.338 3.653 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)[C@@H]1c1cccnc1 ZINC000377700576 941911823 /nfs/dbraw/zinc/91/18/23/941911823.db2.gz NQJFCEJOVOZFPD-JBACZVJFSA-N 2 2 353.535 3.695 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CSCCc3ccccc32)[C@@H]1c1cccnc1 ZINC000377700576 941911827 /nfs/dbraw/zinc/91/18/27/941911827.db2.gz NQJFCEJOVOZFPD-JBACZVJFSA-N 2 2 353.535 3.695 20 0 FHADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1cc3ccccc3nc1N1CCCCC1)C2 ZINC000377775670 941977152 /nfs/dbraw/zinc/97/71/52/941977152.db2.gz HLZNFJGQJBUDQB-SFHVURJKSA-N 2 2 361.493 3.595 20 0 FHADLP c1csc([C@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509929585 941988740 /nfs/dbraw/zinc/98/87/40/941988740.db2.gz VHJMCNCDNRKQDS-IBGZPJMESA-N 2 2 370.566 3.535 20 0 FHADLP c1csc([C@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509929585 941988744 /nfs/dbraw/zinc/98/87/44/941988744.db2.gz VHJMCNCDNRKQDS-IBGZPJMESA-N 2 2 370.566 3.535 20 0 FHADLP C[N@H+](Cc1cccc(OCC2CCCCC2)c1)C1CC[NH+](CCO)CC1 ZINC000513526474 941996313 /nfs/dbraw/zinc/99/63/13/941996313.db2.gz UWYJYMVMPZHATF-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP C[N@@H+](Cc1cccc(OCC2CCCCC2)c1)C1CC[NH+](CCO)CC1 ZINC000513526474 941996318 /nfs/dbraw/zinc/99/63/18/941996318.db2.gz UWYJYMVMPZHATF-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000513692065 942160785 /nfs/dbraw/zinc/16/07/85/942160785.db2.gz YDNDHCUKGOHSBU-AWEZNQCLSA-N 2 2 355.463 3.630 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCC[N@H+]2C)c(C)c1 ZINC000502007091 942166528 /nfs/dbraw/zinc/16/65/28/942166528.db2.gz DYLAEZVGBYOLIH-FPOVZHCZSA-N 2 2 368.525 3.622 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC000502007091 942166530 /nfs/dbraw/zinc/16/65/30/942166530.db2.gz DYLAEZVGBYOLIH-FPOVZHCZSA-N 2 2 368.525 3.622 20 0 FHADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000420762268 942198410 /nfs/dbraw/zinc/19/84/10/942198410.db2.gz AGRCXMAGKWTXOI-FQEVSTJZSA-N 2 2 354.498 3.581 20 0 FHADLP COc1cc(C)c(C[C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000502253889 942315402 /nfs/dbraw/zinc/31/54/02/942315402.db2.gz NDJOMRFQURPZEA-KRWDZBQOSA-N 2 2 369.509 3.597 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414419480 942325631 /nfs/dbraw/zinc/32/56/31/942325631.db2.gz ZSCJJCZUGHUWNI-JTSKRJEESA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000414419480 942325636 /nfs/dbraw/zinc/32/56/36/942325636.db2.gz ZSCJJCZUGHUWNI-JTSKRJEESA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000414419480 942325640 /nfs/dbraw/zinc/32/56/40/942325640.db2.gz ZSCJJCZUGHUWNI-JTSKRJEESA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000414419480 942325644 /nfs/dbraw/zinc/32/56/44/942325644.db2.gz ZSCJJCZUGHUWNI-JTSKRJEESA-N 2 2 368.500 3.769 20 0 FHADLP C([NH2+][C@@H]1CCCC12CCOCC2)C1([NH+]2CCSCC2)CCCCC1 ZINC000502287334 942346931 /nfs/dbraw/zinc/34/69/31/942346931.db2.gz NIQRFOAZTAILIJ-GOSISDBHSA-N 2 2 352.588 3.677 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378184395 942364370 /nfs/dbraw/zinc/36/43/70/942364370.db2.gz OMEWMFMWRAKQHE-YJBOKZPZSA-N 2 2 354.498 3.638 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378184394 942364569 /nfs/dbraw/zinc/36/45/69/942364569.db2.gz OMEWMFMWRAKQHE-QAPCUYQASA-N 2 2 354.498 3.638 20 0 FHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000501448335 942482030 /nfs/dbraw/zinc/48/20/30/942482030.db2.gz WRMATONNTRSNCZ-QINSGFPZSA-N 2 2 356.432 3.809 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342501 942624894 /nfs/dbraw/zinc/62/48/94/942624894.db2.gz PLEOQBSFRVBCEY-SWLSCSKDSA-N 2 2 370.324 3.784 20 0 FHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420330997 942631438 /nfs/dbraw/zinc/63/14/38/942631438.db2.gz BGTWIPQUYRBSTF-BLLLJJGKSA-N 2 2 370.324 3.784 20 0 FHADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331000 942631565 /nfs/dbraw/zinc/63/15/65/942631565.db2.gz BGTWIPQUYRBSTF-LRDDRELGSA-N 2 2 370.324 3.784 20 0 FHADLP [NH3+]C[C@@H]([NH2+]Cc1cccc(C(=O)Nc2ccccc2)c1)C1CCCCC1 ZINC000420356680 942635720 /nfs/dbraw/zinc/63/57/20/942635720.db2.gz CXBUFIXSVWGLDZ-OAQYLSRUSA-N 2 2 351.494 3.936 20 0 FHADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000420372229 942644119 /nfs/dbraw/zinc/64/41/19/942644119.db2.gz QBPLZRVIHOLKLZ-ZDUSSCGKSA-N 2 2 364.704 3.563 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cnn(C2CCCC2)c1 ZINC000502682523 942655678 /nfs/dbraw/zinc/65/56/78/942655678.db2.gz BTMWHYUNNOJENU-GOSISDBHSA-N 2 2 368.525 3.681 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cnn(C2CCCC2)c1 ZINC000502683369 942656608 /nfs/dbraw/zinc/65/66/08/942656608.db2.gz KOIOELZIOBUQBD-SFHVURJKSA-N 2 2 368.525 3.681 20 0 FHADLP Cc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccc1F ZINC000237235978 942665103 /nfs/dbraw/zinc/66/51/03/942665103.db2.gz GJQBMUZQSJUEOJ-UHFFFAOYSA-N 2 2 361.892 3.829 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc(C)c(C)o3)cc2)CC1 ZINC000502705931 942673044 /nfs/dbraw/zinc/67/30/44/942673044.db2.gz CUBSNTMVYGJGPI-GOSISDBHSA-N 2 2 355.526 3.885 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000378470601 942807137 /nfs/dbraw/zinc/80/71/37/942807137.db2.gz CJTSOZXGXDXOOK-NIRMNWTQSA-N 2 2 370.541 3.593 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000378470601 942807141 /nfs/dbraw/zinc/80/71/41/942807141.db2.gz CJTSOZXGXDXOOK-NIRMNWTQSA-N 2 2 370.541 3.593 20 0 FHADLP COC(=O)c1cc(F)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434672693 942857663 /nfs/dbraw/zinc/85/76/63/942857663.db2.gz BTQAHYCGEPBNGH-UHFFFAOYSA-N 2 2 371.456 3.525 20 0 FHADLP C[C@@H]1CCC[C@](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)([NH+](C)C)C1 ZINC000425147469 942872693 /nfs/dbraw/zinc/87/26/93/942872693.db2.gz RLJKHJSODCICKA-JUXOCIIHSA-N 2 2 368.525 3.558 20 0 FHADLP CC[NH+]1CCN(c2ccccc2CNc2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000414851662 942909625 /nfs/dbraw/zinc/90/96/25/942909625.db2.gz ORIZFOBUROHRAE-UHFFFAOYSA-N 2 2 350.510 3.799 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1)CC(C)C ZINC000422205701 943047068 /nfs/dbraw/zinc/04/70/68/943047068.db2.gz KCSUPQCCGYWLIV-UHFFFAOYSA-N 2 2 374.573 3.988 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1)CC(C)C ZINC000422205701 943047076 /nfs/dbraw/zinc/04/70/76/943047076.db2.gz KCSUPQCCGYWLIV-UHFFFAOYSA-N 2 2 374.573 3.988 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000503198801 943048537 /nfs/dbraw/zinc/04/85/37/943048537.db2.gz NODNKFHZWSLPIL-DOTOQJQBSA-N 2 2 359.543 3.590 20 0 FHADLP C[C@H]1C[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@@H+]1Cc1ccccc1 ZINC000272498314 943166309 /nfs/dbraw/zinc/16/63/09/943166309.db2.gz DIXKPLDRECCAHG-QFBILLFUSA-N 2 2 369.475 3.656 20 0 FHADLP C[C@H]1C[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C[N@H+]1Cc1ccccc1 ZINC000272498314 943166312 /nfs/dbraw/zinc/16/63/12/943166312.db2.gz DIXKPLDRECCAHG-QFBILLFUSA-N 2 2 369.475 3.656 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000422638486 943207553 /nfs/dbraw/zinc/20/75/53/943207553.db2.gz QJWKZYLRNHHCNZ-OPYAIIAOSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000422638486 943207555 /nfs/dbraw/zinc/20/75/55/943207555.db2.gz QJWKZYLRNHHCNZ-OPYAIIAOSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@@H]1C[NH3+] ZINC000422631174 943214471 /nfs/dbraw/zinc/21/44/71/943214471.db2.gz FEIBHMXWZBJRFY-BZPMIXESSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@@H]1C[NH3+] ZINC000422631174 943214475 /nfs/dbraw/zinc/21/44/75/943214475.db2.gz FEIBHMXWZBJRFY-BZPMIXESSA-N 2 2 368.403 3.561 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[NH2+]2)cc1 ZINC000422704126 943239434 /nfs/dbraw/zinc/23/94/34/943239434.db2.gz OPBZAAGZOCIHKW-IFMALSPDSA-N 2 2 364.493 3.587 20 0 FHADLP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713381 943254255 /nfs/dbraw/zinc/25/42/55/943254255.db2.gz JOIXIEWTJPORLM-WZYRSQIMSA-N 3 2 373.585 3.596 20 0 FHADLP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000422713381 943254260 /nfs/dbraw/zinc/25/42/60/943254260.db2.gz JOIXIEWTJPORLM-WZYRSQIMSA-N 3 2 373.585 3.596 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422748860 943270355 /nfs/dbraw/zinc/27/03/55/943270355.db2.gz WNTGUGRJUZRHPA-AEFFLSMTSA-N 3 2 352.526 3.725 20 0 FHADLP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425319362 943296439 /nfs/dbraw/zinc/29/64/39/943296439.db2.gz VMYVIUVEFOOVSW-PMACEKPBSA-N 2 2 368.525 3.558 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836565 943301319 /nfs/dbraw/zinc/30/13/19/943301319.db2.gz KIUXCFMDMLEAIM-FUHIMQAGSA-N 3 2 352.526 3.552 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000422836565 943301325 /nfs/dbraw/zinc/30/13/25/943301325.db2.gz KIUXCFMDMLEAIM-FUHIMQAGSA-N 3 2 352.526 3.552 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCOc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889229 943318839 /nfs/dbraw/zinc/31/88/39/943318839.db2.gz PBHSJMGMDYLYLD-AGHHOFFYSA-N 2 2 352.478 3.644 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000422874676 943323582 /nfs/dbraw/zinc/32/35/82/943323582.db2.gz OCWNRWPAYJCZEY-JSNMRZPZSA-N 2 2 362.876 3.925 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422902191 943325214 /nfs/dbraw/zinc/32/52/14/943325214.db2.gz TZKNXWNCUWYCQF-XPWALMASSA-N 3 2 355.570 3.860 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906511 943327228 /nfs/dbraw/zinc/32/72/28/943327228.db2.gz KAVZTMZRNZRBCD-XOKHGSTOSA-N 2 2 357.523 3.926 20 0 FHADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000425341333 943336941 /nfs/dbraw/zinc/33/69/41/943336941.db2.gz CWIXPMYOLLWXGZ-UHFFFAOYSA-N 2 2 363.933 3.974 20 0 FHADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422917845 943340734 /nfs/dbraw/zinc/34/07/34/943340734.db2.gz FUIGHJZDVJGDNU-SIKLNZKXSA-N 2 2 364.493 3.740 20 0 FHADLP C[C@H]([NH2+]Cc1cc(Br)ccc1OC(F)F)c1c[nH+]ccc1N ZINC000422949771 943347076 /nfs/dbraw/zinc/34/70/76/943347076.db2.gz WIGRQNBKGRKABA-VIFPVBQESA-N 2 2 372.213 3.709 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCOc2c(-c3ccccc3)cccc21 ZINC000422952926 943348243 /nfs/dbraw/zinc/34/82/43/943348243.db2.gz CSFBWTJTWGEMEE-PLMTUMEDSA-N 2 2 352.478 3.534 20 0 FHADLP COc1ccc([C@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422960428 943350837 /nfs/dbraw/zinc/35/08/37/943350837.db2.gz WJAIZBCJEREBKC-IRLDBZIGSA-N 2 2 366.509 3.986 20 0 FHADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375157 943356611 /nfs/dbraw/zinc/35/66/11/943356611.db2.gz SPTGYXVPLMAVMG-RYUDHWBXSA-N 2 2 366.328 3.742 20 0 FHADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375157 943356615 /nfs/dbraw/zinc/35/66/15/943356615.db2.gz SPTGYXVPLMAVMG-RYUDHWBXSA-N 2 2 366.328 3.742 20 0 FHADLP CCOc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435379360 943368399 /nfs/dbraw/zinc/36/83/99/943368399.db2.gz BPTAEDXXDJPMNF-FQEVSTJZSA-N 2 2 369.509 3.633 20 0 FHADLP CCOc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435379360 943368405 /nfs/dbraw/zinc/36/84/05/943368405.db2.gz BPTAEDXXDJPMNF-FQEVSTJZSA-N 2 2 369.509 3.633 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022894 943369172 /nfs/dbraw/zinc/36/91/72/943369172.db2.gz IMYLTRKAPRGFRW-ARKSPBFVSA-N 2 2 353.913 3.592 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022901 943369748 /nfs/dbraw/zinc/36/97/48/943369748.db2.gz IMYLTRKAPRGFRW-UAFONNFLSA-N 2 2 353.913 3.592 20 0 FHADLP FC(F)Oc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435392377 943378808 /nfs/dbraw/zinc/37/88/08/943378808.db2.gz WISPDBHLOPGXDL-SFHVURJKSA-N 2 2 361.436 3.827 20 0 FHADLP FC(F)Oc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435392377 943378818 /nfs/dbraw/zinc/37/88/18/943378818.db2.gz WISPDBHLOPGXDL-SFHVURJKSA-N 2 2 361.436 3.827 20 0 FHADLP C[C@@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423074133 943383231 /nfs/dbraw/zinc/38/32/31/943383231.db2.gz UBSAKYCOWPLXSZ-ZMYBRWDISA-N 2 2 374.326 3.858 20 0 FHADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000423105328 943401381 /nfs/dbraw/zinc/40/13/81/943401381.db2.gz IDOBWVPVQNHTQN-KNXALSJPSA-N 2 2 359.258 3.738 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000423107364 943402712 /nfs/dbraw/zinc/40/27/12/943402712.db2.gz PUDILKVHIQNGSZ-FSPWUOQZSA-N 2 2 356.432 3.903 20 0 FHADLP Cc1ncsc1C[N@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000435424895 943405176 /nfs/dbraw/zinc/40/51/76/943405176.db2.gz BSEKAGPQLRQBCM-MPNWYJEXSA-N 2 2 363.477 3.855 20 0 FHADLP Cc1ncsc1C[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000435424895 943405180 /nfs/dbraw/zinc/40/51/80/943405180.db2.gz BSEKAGPQLRQBCM-MPNWYJEXSA-N 2 2 363.477 3.855 20 0 FHADLP CCOc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435426736 943405616 /nfs/dbraw/zinc/40/56/16/943405616.db2.gz JFYWPWMWWQVRQK-SFHVURJKSA-N 2 2 357.523 3.686 20 0 FHADLP CCOc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435426736 943405617 /nfs/dbraw/zinc/40/56/17/943405617.db2.gz JFYWPWMWWQVRQK-SFHVURJKSA-N 2 2 357.523 3.686 20 0 FHADLP COc1c(C)cc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435425923 943405647 /nfs/dbraw/zinc/40/56/47/943405647.db2.gz FMBRHFLICMPONC-GOSISDBHSA-N 2 2 371.550 3.913 20 0 FHADLP COc1c(C)cc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435425923 943405649 /nfs/dbraw/zinc/40/56/49/943405649.db2.gz FMBRHFLICMPONC-GOSISDBHSA-N 2 2 371.550 3.913 20 0 FHADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cnn1-c1ccc(F)cc1 ZINC000423189026 943435593 /nfs/dbraw/zinc/43/55/93/943435593.db2.gz OMFYAXZIDGGJHZ-INIZCTEOSA-N 2 2 367.472 3.545 20 0 FHADLP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423239371 943445084 /nfs/dbraw/zinc/44/50/84/943445084.db2.gz JXMBBQCCQDGYQF-UZUQRXQVSA-N 2 2 367.537 3.839 20 0 FHADLP CCC[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423308868 943472185 /nfs/dbraw/zinc/47/21/85/943472185.db2.gz KEOYCJFWHXONQB-NSHDSACASA-N 2 2 365.827 3.665 20 0 FHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000423294139 943475408 /nfs/dbraw/zinc/47/54/08/943475408.db2.gz TUNOVUGFKCZBTM-XOBRGWDASA-N 2 2 354.885 3.972 20 0 FHADLP Fc1ccccc1C[C@H]([NH2+]CC1C[NH2+]C1)c1ccccc1Br ZINC000423303865 943477006 /nfs/dbraw/zinc/47/70/06/943477006.db2.gz MTHIWXIURDVFLA-SFHVURJKSA-N 2 2 363.274 3.681 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccccc2N(C)C)cc1 ZINC000423346046 943478611 /nfs/dbraw/zinc/47/86/11/943478611.db2.gz YHPHUVHSOGBWBJ-CZAAIQMYSA-N 2 2 353.510 3.558 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000423347241 943479422 /nfs/dbraw/zinc/47/94/22/943479422.db2.gz ZYEHZMYHKJTWRP-SEPFQZFQSA-N 2 2 354.494 3.507 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423326617 943480547 /nfs/dbraw/zinc/48/05/47/943480547.db2.gz JJBUTRROMBRRCJ-YDFBLROQSA-N 2 2 352.478 3.522 20 0 FHADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)C1CCSCC1 ZINC000187463581 943496746 /nfs/dbraw/zinc/49/67/46/943496746.db2.gz HVIRSQVPPQWWNK-MRXNPFEDSA-N 2 2 363.571 3.781 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(SCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423423096 943505786 /nfs/dbraw/zinc/50/57/86/943505786.db2.gz KSZNRUXHZFNYPL-BBRMVZONSA-N 2 2 362.461 3.760 20 0 FHADLP COCC[NH+](CCOC)C1CC[NH+](C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000515149926 943524403 /nfs/dbraw/zinc/52/44/03/943524403.db2.gz QQOGHNOTJJKLJB-KRWDZBQOSA-N 2 2 368.949 3.503 20 0 FHADLP CC[N@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435628691 943527581 /nfs/dbraw/zinc/52/75/81/943527581.db2.gz RLYOEHMSQKERLE-OAHLLOKOSA-N 2 2 368.403 3.719 20 0 FHADLP CC[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435628691 943527584 /nfs/dbraw/zinc/52/75/84/943527584.db2.gz RLYOEHMSQKERLE-OAHLLOKOSA-N 2 2 368.403 3.719 20 0 FHADLP CCn1ccnc1C[N@H+](CCOC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698272 943563635 /nfs/dbraw/zinc/56/36/35/943563635.db2.gz WACFLJYHUCVBAW-HXUWFJFHSA-N 2 2 374.573 3.587 20 0 FHADLP CCn1ccnc1C[N@@H+](CCOC1CCCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698272 943563640 /nfs/dbraw/zinc/56/36/40/943563640.db2.gz WACFLJYHUCVBAW-HXUWFJFHSA-N 2 2 374.573 3.587 20 0 FHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000417375025 943564570 /nfs/dbraw/zinc/56/45/70/943564570.db2.gz ZZVISCJKTVIWCQ-MBSDFSHPSA-N 2 2 350.506 3.943 20 0 FHADLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2COCc3ccccc32)CC1 ZINC000417375024 943564663 /nfs/dbraw/zinc/56/46/63/943564663.db2.gz ZZVISCJKTVIWCQ-JPYJTQIMSA-N 2 2 350.506 3.943 20 0 FHADLP CC(C)n1c[nH+]cc1CNc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000424155656 943756125 /nfs/dbraw/zinc/75/61/25/943756125.db2.gz NJRWCJHPHHOELW-UHFFFAOYSA-N 2 2 353.514 3.608 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000424159781 943767607 /nfs/dbraw/zinc/76/76/07/943767607.db2.gz AKFKLKBQVJIYRD-GOSISDBHSA-N 2 2 360.448 3.520 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000424159781 943767615 /nfs/dbraw/zinc/76/76/15/943767615.db2.gz AKFKLKBQVJIYRD-GOSISDBHSA-N 2 2 360.448 3.520 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000424296614 943824235 /nfs/dbraw/zinc/82/42/35/943824235.db2.gz SBNYVNBKWGTQPN-CDHQVMDDSA-N 2 2 353.466 3.665 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000424303403 943851002 /nfs/dbraw/zinc/85/10/02/943851002.db2.gz NUZKQOFULGTNAK-GKCIPKSASA-N 2 2 366.933 3.767 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000424303405 943851344 /nfs/dbraw/zinc/85/13/44/943851344.db2.gz NUZKQOFULGTNAK-PNHOKKKMSA-N 2 2 366.933 3.767 20 0 FHADLP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000504905580 943903205 /nfs/dbraw/zinc/90/32/05/943903205.db2.gz KOJBFAAOEOCQIL-GOSISDBHSA-N 2 2 371.500 3.697 20 0 FHADLP COc1ccc(-n2c(C[NH2+][C@H]3CC[NH2+]CC3(C)C)nc3ccccc32)cc1 ZINC000515486640 943933214 /nfs/dbraw/zinc/93/32/14/943933214.db2.gz BYIZKEJLIDAIDV-FQEVSTJZSA-N 2 2 364.493 3.512 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@@H](C)C1 ZINC000660306118 943944220 /nfs/dbraw/zinc/94/42/20/943944220.db2.gz OPABOESCNQGQHZ-WMLDXEAASA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@@H](C)C1 ZINC000660306118 943944227 /nfs/dbraw/zinc/94/42/27/943944227.db2.gz OPABOESCNQGQHZ-WMLDXEAASA-N 2 2 374.447 3.654 20 0 FHADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cs1)c1ccc(C)cc1 ZINC000414797239 943983318 /nfs/dbraw/zinc/98/33/18/943983318.db2.gz IKVVJMXAYLLFJO-APWZRJJASA-N 2 2 372.538 3.743 20 0 FHADLP COc1cccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N(C)C)c1 ZINC000072726741 943985903 /nfs/dbraw/zinc/98/59/03/943985903.db2.gz DQDMTVYOKMRDMV-HSZRJFAPSA-N 2 2 367.537 3.552 20 0 FHADLP Clc1cc(Br)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414877715 944012940 /nfs/dbraw/zinc/01/29/40/944012940.db2.gz MTIVUUWXPSXNHU-UHFFFAOYSA-N 2 2 368.706 3.767 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCC[C@@H](C(F)(F)F)C3)[nH+]c2)C1 ZINC000437781706 944094210 /nfs/dbraw/zinc/09/42/10/944094210.db2.gz FKCCSWMOLORHMY-IJEWVQPXSA-N 2 2 356.436 3.755 20 0 FHADLP C[C@@H]1Oc2ccccc2[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000517263501 944166156 /nfs/dbraw/zinc/16/61/56/944166156.db2.gz NVYKTQDPWLXWRP-AOMKIAJQSA-N 2 2 354.469 3.944 20 0 FHADLP COCCC1(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCCCC1 ZINC000436316239 944194571 /nfs/dbraw/zinc/19/45/71/944194571.db2.gz RIUXZILIYBYXBY-LJQANCHMSA-N 2 2 360.546 3.621 20 0 FHADLP C[C@H]1SCC[N@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195955 /nfs/dbraw/zinc/19/59/55/944195955.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[N@@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195959 /nfs/dbraw/zinc/19/59/59/944195959.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195964 /nfs/dbraw/zinc/19/59/64/944195964.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@H]1C ZINC000515772311 944195969 /nfs/dbraw/zinc/19/59/69/944195969.db2.gz WOUXMKZVNCETEW-ZYGGUILKSA-N 2 2 365.612 3.733 20 0 FHADLP COc1cccc2c(N(C)CC3CCN(c4cc[nH+]cc4)CC3)cc[nH+]c12 ZINC000436431118 944301954 /nfs/dbraw/zinc/30/19/54/944301954.db2.gz HLCQWCVXUSNIRT-UHFFFAOYSA-N 2 2 362.477 3.991 20 0 FHADLP COc1cc2c(cc1C[NH2+]CCC[N@@H+]1CCc3ccccc3C1)O[C@H](C)C2 ZINC000027218113 944334098 /nfs/dbraw/zinc/33/40/98/944334098.db2.gz NIDOWNDVNBUURT-QGZVFWFLSA-N 2 2 366.505 3.557 20 0 FHADLP COc1cc2c(cc1C[NH2+]CCC[N@H+]1CCc3ccccc3C1)O[C@H](C)C2 ZINC000027218113 944334105 /nfs/dbraw/zinc/33/41/05/944334105.db2.gz NIDOWNDVNBUURT-QGZVFWFLSA-N 2 2 366.505 3.557 20 0 FHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000438081917 944336721 /nfs/dbraw/zinc/33/67/21/944336721.db2.gz QAUDJHGGJUJAJR-VXNXHJTFSA-N 2 2 364.533 3.506 20 0 FHADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000438081917 944336728 /nfs/dbraw/zinc/33/67/28/944336728.db2.gz QAUDJHGGJUJAJR-VXNXHJTFSA-N 2 2 364.533 3.506 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CO2 ZINC000517537431 944382881 /nfs/dbraw/zinc/38/28/81/944382881.db2.gz WVRVOBAWKCPSDT-IAGOWNOFSA-N 2 2 353.293 3.986 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CO2 ZINC000517537431 944382889 /nfs/dbraw/zinc/38/28/89/944382889.db2.gz WVRVOBAWKCPSDT-IAGOWNOFSA-N 2 2 353.293 3.986 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1C ZINC000638502850 944507670 /nfs/dbraw/zinc/50/76/70/944507670.db2.gz DPPUEBWDXXVHJJ-DENIHFKCSA-N 2 2 352.526 3.978 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1C ZINC000638502850 944507674 /nfs/dbraw/zinc/50/76/74/944507674.db2.gz DPPUEBWDXXVHJJ-DENIHFKCSA-N 2 2 352.526 3.978 20 0 FHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390611078 944558999 /nfs/dbraw/zinc/55/89/99/944558999.db2.gz WWXXPKASCOVDTR-SJLPKXTDSA-N 2 2 358.448 3.988 20 0 FHADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390611078 944559002 /nfs/dbraw/zinc/55/90/02/944559002.db2.gz WWXXPKASCOVDTR-SJLPKXTDSA-N 2 2 358.448 3.988 20 0 FHADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000608070804 944637233 /nfs/dbraw/zinc/63/72/33/944637233.db2.gz JZAPNOXTWIIFLO-UHFFFAOYSA-N 2 2 365.855 3.660 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638739479 944693876 /nfs/dbraw/zinc/69/38/76/944693876.db2.gz SHTWBXSCSXIRSA-NLEAXPPASA-N 2 2 352.526 3.617 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638739479 944693883 /nfs/dbraw/zinc/69/38/83/944693883.db2.gz SHTWBXSCSXIRSA-NLEAXPPASA-N 2 2 352.526 3.617 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1O ZINC000426409150 944718570 /nfs/dbraw/zinc/71/85/70/944718570.db2.gz GAWYZLLYPJQTHX-INIZCTEOSA-N 2 2 351.450 3.697 20 0 FHADLP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000426043925 944720724 /nfs/dbraw/zinc/72/07/24/944720724.db2.gz JUVNSDJTZPZPHM-OALUTQOASA-N 2 2 352.869 3.820 20 0 FHADLP COc1ccccc1[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000519582873 944732260 /nfs/dbraw/zinc/73/22/60/944732260.db2.gz YOZCGAMRXXVJSQ-IBGZPJMESA-N 2 2 362.558 3.997 20 0 FHADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390704580 944752619 /nfs/dbraw/zinc/75/26/19/944752619.db2.gz URZWCKKEFPYLNJ-PGRDOPGGSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390704580 944752628 /nfs/dbraw/zinc/75/26/28/944752628.db2.gz URZWCKKEFPYLNJ-PGRDOPGGSA-N 2 2 354.469 3.694 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(C)c1OC ZINC000517910423 944811920 /nfs/dbraw/zinc/81/19/20/944811920.db2.gz FUUGMSYRHZEGED-KRWDZBQOSA-N 2 2 369.509 3.722 20 0 FHADLP Cc1nnc([C@H]2CC23CC[NH+](Cc2ccc(-n4cc[nH+]c4)cc2C)CC3)o1 ZINC000364474225 944838421 /nfs/dbraw/zinc/83/84/21/944838421.db2.gz XQHDPXQQHIGBET-LJQANCHMSA-N 2 2 363.465 3.642 20 0 FHADLP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425671248 944896283 /nfs/dbraw/zinc/89/62/83/944896283.db2.gz HJDFDHXBZDFXTN-INIZCTEOSA-N 2 2 369.513 3.738 20 0 FHADLP CC[N@H+](CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C(C)C ZINC000425674596 944914181 /nfs/dbraw/zinc/91/41/81/944914181.db2.gz PHUFFSPNRYNDFF-UHFFFAOYSA-N 2 2 369.513 3.738 20 0 FHADLP CC[N@@H+](CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2)C(C)C ZINC000425674596 944914194 /nfs/dbraw/zinc/91/41/94/944914194.db2.gz PHUFFSPNRYNDFF-UHFFFAOYSA-N 2 2 369.513 3.738 20 0 FHADLP C[C@H](c1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1)[NH+]1CCOCC1 ZINC000426480180 944940763 /nfs/dbraw/zinc/94/07/63/944940763.db2.gz QOTDAAPQEKMBMH-GOSISDBHSA-N 2 2 373.541 3.530 20 0 FHADLP Clc1ccc(SCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466686 944981860 /nfs/dbraw/zinc/98/18/60/944981860.db2.gz BABFQPGUZKFEGG-QGZVFWFLSA-N 2 2 354.947 3.619 20 0 FHADLP Clc1ccc(SCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660466686 944981865 /nfs/dbraw/zinc/98/18/65/944981865.db2.gz BABFQPGUZKFEGG-QGZVFWFLSA-N 2 2 354.947 3.619 20 0 FHADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000414949302 945007687 /nfs/dbraw/zinc/00/76/87/945007687.db2.gz ZTHIKZXUFCGEMS-NHYWBVRUSA-N 2 2 366.328 3.660 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000437110146 945031197 /nfs/dbraw/zinc/03/11/97/945031197.db2.gz UQENYDJGOAFZKC-UGKGYDQZSA-N 2 2 366.553 3.926 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000437110146 945031206 /nfs/dbraw/zinc/03/12/06/945031206.db2.gz UQENYDJGOAFZKC-UGKGYDQZSA-N 2 2 366.553 3.926 20 0 FHADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158855 945037938 /nfs/dbraw/zinc/03/79/38/945037938.db2.gz DIUMLQNGJYLDFY-DYVFJYSZSA-N 2 2 364.415 3.622 20 0 FHADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158855 945037949 /nfs/dbraw/zinc/03/79/49/945037949.db2.gz DIUMLQNGJYLDFY-DYVFJYSZSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158855 945037959 /nfs/dbraw/zinc/03/79/59/945037959.db2.gz DIUMLQNGJYLDFY-DYVFJYSZSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158855 945037968 /nfs/dbraw/zinc/03/79/68/945037968.db2.gz DIUMLQNGJYLDFY-DYVFJYSZSA-N 2 2 364.415 3.622 20 0 FHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000288796453 945058553 /nfs/dbraw/zinc/05/85/53/945058553.db2.gz IGNGRRNXLLXDEV-NRFANRHFSA-N 2 2 372.472 3.556 20 0 FHADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000288796453 945058562 /nfs/dbraw/zinc/05/85/62/945058562.db2.gz IGNGRRNXLLXDEV-NRFANRHFSA-N 2 2 372.472 3.556 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000660694274 945397903 /nfs/dbraw/zinc/39/79/03/945397903.db2.gz YZLFMPQCGYZRJU-OAHLLOKOSA-N 2 2 374.447 3.719 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000660693805 945405184 /nfs/dbraw/zinc/40/51/84/945405184.db2.gz LSGJGHCXGIGIME-UHFFFAOYSA-N 2 2 356.963 3.505 20 0 FHADLP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000519542980 945687560 /nfs/dbraw/zinc/68/75/60/945687560.db2.gz SDXJHYREFGMYQN-LJQANCHMSA-N 2 2 365.477 3.525 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651719343 945762151 /nfs/dbraw/zinc/76/21/51/945762151.db2.gz QIRNJAYUKKCJRK-RTBURBONSA-N 2 2 365.521 3.900 20 0 FHADLP Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000301585357 945861219 /nfs/dbraw/zinc/86/12/19/945861219.db2.gz VEBRYNVIGLPTEA-UHFFFAOYSA-N 2 2 354.473 3.515 20 0 FHADLP Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000301585357 945861228 /nfs/dbraw/zinc/86/12/28/945861228.db2.gz VEBRYNVIGLPTEA-UHFFFAOYSA-N 2 2 354.473 3.515 20 0 FHADLP COc1cc(OC)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000651794722 945937982 /nfs/dbraw/zinc/93/79/82/945937982.db2.gz VRLHPOOJLLTKLV-HNNXBMFYSA-N 2 2 373.472 3.755 20 0 FHADLP COc1cc(OC)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1F ZINC000651794722 945937991 /nfs/dbraw/zinc/93/79/91/945937991.db2.gz VRLHPOOJLLTKLV-HNNXBMFYSA-N 2 2 373.472 3.755 20 0 FHADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732104 945937984 /nfs/dbraw/zinc/93/79/84/945937984.db2.gz YJCRPSQOIXDELR-LEWJYISDSA-N 2 2 350.510 3.893 20 0 FHADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732104 945937992 /nfs/dbraw/zinc/93/79/92/945937992.db2.gz YJCRPSQOIXDELR-LEWJYISDSA-N 2 2 350.510 3.893 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444212010 946072581 /nfs/dbraw/zinc/07/25/81/946072581.db2.gz LSKOBGULXVMGBJ-MRXNPFEDSA-N 2 2 372.534 3.996 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444212010 946072594 /nfs/dbraw/zinc/07/25/94/946072594.db2.gz LSKOBGULXVMGBJ-MRXNPFEDSA-N 2 2 372.534 3.996 20 0 FHADLP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076416 946110142 /nfs/dbraw/zinc/11/01/42/946110142.db2.gz HKBVQFFTDXOSFJ-TZIWHRDSSA-N 2 2 350.510 3.838 20 0 FHADLP CCc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302076416 946110149 /nfs/dbraw/zinc/11/01/49/946110149.db2.gz HKBVQFFTDXOSFJ-TZIWHRDSSA-N 2 2 350.510 3.838 20 0 FHADLP CC[N@H+](CCN(C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444267808 946152869 /nfs/dbraw/zinc/15/28/69/946152869.db2.gz IDQHPOTVUUXBLT-UHFFFAOYSA-N 2 2 352.526 3.756 20 0 FHADLP CC[N@@H+](CCN(C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000444267808 946152881 /nfs/dbraw/zinc/15/28/81/946152881.db2.gz IDQHPOTVUUXBLT-UHFFFAOYSA-N 2 2 352.526 3.756 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(C)n1-c1ccccc1 ZINC000579163044 946208349 /nfs/dbraw/zinc/20/83/49/946208349.db2.gz BUODCFQTSCTUJG-UHFFFAOYSA-N 2 2 351.498 3.852 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(C)n1-c1ccccc1 ZINC000579163044 946208359 /nfs/dbraw/zinc/20/83/59/946208359.db2.gz BUODCFQTSCTUJG-UHFFFAOYSA-N 2 2 351.498 3.852 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000508482082 946267794 /nfs/dbraw/zinc/26/77/94/946267794.db2.gz BSNKWJKTHOXYEI-QFBILLFUSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnn(CC(F)F)c2)CC[N@H+]1Cc1ccccc1 ZINC000508482082 946267804 /nfs/dbraw/zinc/26/78/04/946267804.db2.gz BSNKWJKTHOXYEI-QFBILLFUSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482082 946267813 /nfs/dbraw/zinc/26/78/13/946267813.db2.gz BSNKWJKTHOXYEI-QFBILLFUSA-N 2 2 362.468 3.633 20 0 FHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnn(CC(F)F)c2)CC[NH+]1Cc1ccccc1 ZINC000508482082 946267826 /nfs/dbraw/zinc/26/78/26/946267826.db2.gz BSNKWJKTHOXYEI-QFBILLFUSA-N 2 2 362.468 3.633 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251483 946345369 /nfs/dbraw/zinc/34/53/69/946345369.db2.gz SYOSIHUGCSVBGU-UWWQBHOKSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251483 946345382 /nfs/dbraw/zinc/34/53/82/946345382.db2.gz SYOSIHUGCSVBGU-UWWQBHOKSA-N 2 2 373.324 3.556 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067507214 946513785 /nfs/dbraw/zinc/51/37/85/946513785.db2.gz BVQCGTCCIROQGA-GOSISDBHSA-N 2 2 360.933 3.713 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000067507214 946513793 /nfs/dbraw/zinc/51/37/93/946513793.db2.gz BVQCGTCCIROQGA-GOSISDBHSA-N 2 2 360.933 3.713 20 0 FHADLP Brc1ccc(OCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000314746237 946515375 /nfs/dbraw/zinc/51/53/75/946515375.db2.gz XHXFQTZSUHEJGB-UHFFFAOYSA-N 2 2 367.331 3.778 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)CC1 ZINC000192683139 946608037 /nfs/dbraw/zinc/60/80/37/946608037.db2.gz GPHDVIAXJQNKNP-OAQYLSRUSA-N 2 2 353.510 3.584 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561371 946661680 /nfs/dbraw/zinc/66/16/80/946661680.db2.gz YFBQAYNGVXRIDZ-LZVFHYKOSA-N 3 2 367.581 3.894 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561371 946661676 /nfs/dbraw/zinc/66/16/76/946661676.db2.gz YFBQAYNGVXRIDZ-LZVFHYKOSA-N 3 2 367.581 3.894 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000597172360 946724644 /nfs/dbraw/zinc/72/46/44/946724644.db2.gz CNOJVOSGBYUTSS-UHFFFAOYSA-N 2 2 359.297 3.501 20 0 FHADLP NC(=O)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000112708719 946729246 /nfs/dbraw/zinc/72/92/46/946729246.db2.gz GZZWHJZQROBHCX-OAQYLSRUSA-N 2 2 369.484 3.518 20 0 FHADLP CCOc1c(Cl)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475578079 946738710 /nfs/dbraw/zinc/73/87/10/946738710.db2.gz LMNGKGQXOZLLKE-UHFFFAOYSA-N 2 2 352.906 3.854 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@@H]1CC[NH3+] ZINC000652354030 946912707 /nfs/dbraw/zinc/91/27/07/946912707.db2.gz KTMFVZGNRXPUHE-SWLSCSKDSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)[C@@H]1CC[NH3+] ZINC000652354030 946912715 /nfs/dbraw/zinc/91/27/15/946912715.db2.gz KTMFVZGNRXPUHE-SWLSCSKDSA-N 2 2 368.403 3.705 20 0 FHADLP COC(=O)C[N@H+](C1CCCC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061616 946925081 /nfs/dbraw/zinc/92/50/81/946925081.db2.gz IVTLVUFTEKCUQM-RMFSNUHRSA-N 2 2 358.526 3.846 20 0 FHADLP COC(=O)C[N@@H+](C1CCCC1)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061616 946925085 /nfs/dbraw/zinc/92/50/85/946925085.db2.gz IVTLVUFTEKCUQM-RMFSNUHRSA-N 2 2 358.526 3.846 20 0 FHADLP COC(=O)C[NH+](C1CCCC1)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061616 946925088 /nfs/dbraw/zinc/92/50/88/946925088.db2.gz IVTLVUFTEKCUQM-RMFSNUHRSA-N 2 2 358.526 3.846 20 0 FHADLP COC(=O)C[NH+](C1CCCC1)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168061616 946925093 /nfs/dbraw/zinc/92/50/93/946925093.db2.gz IVTLVUFTEKCUQM-RMFSNUHRSA-N 2 2 358.526 3.846 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)O3)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168063926 947043786 /nfs/dbraw/zinc/04/37/86/947043786.db2.gz OFCDSVULHFVYMA-OPVJXMOQSA-N 2 2 356.510 3.600 20 0 FHADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCC(=O)O3)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168063926 947043790 /nfs/dbraw/zinc/04/37/90/947043790.db2.gz OFCDSVULHFVYMA-OPVJXMOQSA-N 2 2 356.510 3.600 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444653952 947073108 /nfs/dbraw/zinc/07/31/08/947073108.db2.gz VVAOJZUSAODPKR-LJQANCHMSA-N 2 2 367.541 3.744 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444653952 947073114 /nfs/dbraw/zinc/07/31/14/947073114.db2.gz VVAOJZUSAODPKR-LJQANCHMSA-N 2 2 367.541 3.744 20 0 FHADLP COC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC(C)CC1 ZINC000475436535 947091594 /nfs/dbraw/zinc/09/15/94/947091594.db2.gz ZHIIWPXFLKKTGC-UHFFFAOYSA-N 2 2 351.560 3.595 20 0 FHADLP COC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC(C)CC1 ZINC000475436535 947091606 /nfs/dbraw/zinc/09/16/06/947091606.db2.gz ZHIIWPXFLKKTGC-UHFFFAOYSA-N 2 2 351.560 3.595 20 0 FHADLP Clc1ccc2c(NC[C@]3([NH+]4CCOCC4)CCSC3)cc[nH+]c2c1 ZINC000301103011 947178488 /nfs/dbraw/zinc/17/84/88/947178488.db2.gz UQZHWKDFCWEXMA-GOSISDBHSA-N 2 2 363.914 3.508 20 0 FHADLP Fc1ccc(C[NH+]2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000301228268 947242229 /nfs/dbraw/zinc/24/22/29/947242229.db2.gz GDSIERNLFJPDFF-UHFFFAOYSA-N 2 2 369.488 3.683 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000367182705 947475264 /nfs/dbraw/zinc/47/52/64/947475264.db2.gz DAILXIBDZXCHIR-OAQYLSRUSA-N 2 2 371.569 3.666 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000367182705 947475270 /nfs/dbraw/zinc/47/52/70/947475270.db2.gz DAILXIBDZXCHIR-OAQYLSRUSA-N 2 2 371.569 3.666 20 0 FHADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000520459636 947552425 /nfs/dbraw/zinc/55/24/25/947552425.db2.gz AIVSBHGUIPIKAD-UHFFFAOYSA-N 2 2 364.125 3.595 20 0 FHADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000520459636 947552434 /nfs/dbraw/zinc/55/24/34/947552434.db2.gz AIVSBHGUIPIKAD-UHFFFAOYSA-N 2 2 364.125 3.595 20 0 FHADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)c1 ZINC000523874258 947685059 /nfs/dbraw/zinc/68/50/59/947685059.db2.gz FLRYEZQPSIXNDG-MRXNPFEDSA-N 2 2 352.482 3.554 20 0 FHADLP Cc1sc2nc([C@H](C)[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)[nH]c(=O)c2c1C ZINC000662290252 947712016 /nfs/dbraw/zinc/71/20/16/947712016.db2.gz BSHNCQMEMZJVAR-BBRMVZONSA-N 2 2 374.554 3.786 20 0 FHADLP Cc1sc2nc([C@@H](C)[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)[nH]c(=O)c2c1C ZINC000662290256 947712488 /nfs/dbraw/zinc/71/24/88/947712488.db2.gz BSHNCQMEMZJVAR-CZUORRHYSA-N 2 2 374.554 3.786 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189438566 947716583 /nfs/dbraw/zinc/71/65/83/947716583.db2.gz DRMXWBUQNLCOOF-DLBZAZTESA-N 2 2 356.489 3.754 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189438566 947716594 /nfs/dbraw/zinc/71/65/94/947716594.db2.gz DRMXWBUQNLCOOF-DLBZAZTESA-N 2 2 356.489 3.754 20 0 FHADLP Cc1nc(NC[C@@H](c2cccs2)[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663322494 947746422 /nfs/dbraw/zinc/74/64/22/947746422.db2.gz JNLYSEVAFUTINF-NSHDSACASA-N 2 2 355.305 3.632 20 0 FHADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000662323032 947748886 /nfs/dbraw/zinc/74/88/86/947748886.db2.gz ORPWQBPSJBCXHW-KRWDZBQOSA-N 2 2 363.889 3.538 20 0 FHADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000662323032 947748890 /nfs/dbraw/zinc/74/88/90/947748890.db2.gz ORPWQBPSJBCXHW-KRWDZBQOSA-N 2 2 363.889 3.538 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807726 /nfs/dbraw/zinc/80/77/26/947807726.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807732 /nfs/dbraw/zinc/80/77/32/947807732.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807740 /nfs/dbraw/zinc/80/77/40/947807740.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344050 947807750 /nfs/dbraw/zinc/80/77/50/947807750.db2.gz MZDBCLPOUPWPIM-PKTZIBPZSA-N 3 2 367.581 3.895 20 0 FHADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000663345029 947811006 /nfs/dbraw/zinc/81/10/06/947811006.db2.gz FVAWUOZJTZUVQC-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000663345029 947811016 /nfs/dbraw/zinc/81/10/16/947811016.db2.gz FVAWUOZJTZUVQC-CQSZACIVSA-N 2 2 355.295 3.800 20 0 FHADLP COc1cc2cc[nH+]c(NC3CCN(c4cccc[nH+]4)CC3)c2cc1OC ZINC000663390390 947940055 /nfs/dbraw/zinc/94/00/55/947940055.db2.gz HVEZDWZIAFHGPB-UHFFFAOYSA-N 2 2 364.449 3.728 20 0 FHADLP Cc1cccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000278902761 948047691 /nfs/dbraw/zinc/04/76/91/948047691.db2.gz POTLCZKLZRLLTI-UHFFFAOYSA-N 2 2 366.509 3.654 20 0 FHADLP c1cn2c(n1)[C@@H]([NH2+]C1CCN(c3cccc[nH+]3)CC1)CCc1ccccc1-2 ZINC000663472381 948067383 /nfs/dbraw/zinc/06/73/83/948067383.db2.gz QLSPOURJMMLTER-IBGZPJMESA-N 2 2 359.477 3.513 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824269 948106825 /nfs/dbraw/zinc/10/68/25/948106825.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824269 948106828 /nfs/dbraw/zinc/10/68/28/948106828.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001167824269 948106833 /nfs/dbraw/zinc/10/68/33/948106833.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001167824269 948106834 /nfs/dbraw/zinc/10/68/34/948106834.db2.gz GKDCVOFVVWGKDM-OTWHNJEPSA-N 3 2 364.603 3.550 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@H](c3cccnc3)C3CCC3)[nH+]c2)CC1 ZINC000280818694 948115730 /nfs/dbraw/zinc/11/57/30/948115730.db2.gz JWVOOHJYKMMEFM-QFIPXVFZSA-N 2 2 365.525 3.960 20 0 FHADLP CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512023273 948212749 /nfs/dbraw/zinc/21/27/49/948212749.db2.gz JJAKBXVSVTWKGJ-YVEFUNNKSA-N 2 2 353.919 3.724 20 0 FHADLP CC[C@@](C)(COc1ncccc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512040758 948270570 /nfs/dbraw/zinc/27/05/70/948270570.db2.gz RAHCMAIEXUWTFI-KRWDZBQOSA-N 2 2 368.934 3.590 20 0 FHADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000236825770 948310701 /nfs/dbraw/zinc/31/07/01/948310701.db2.gz RMWWOIDAAHVXCY-QGZVFWFLSA-N 2 2 360.933 3.882 20 0 FHADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000236825770 948310706 /nfs/dbraw/zinc/31/07/06/948310706.db2.gz RMWWOIDAAHVXCY-QGZVFWFLSA-N 2 2 360.933 3.882 20 0 FHADLP Cc1cc(Br)ccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512051726 948310828 /nfs/dbraw/zinc/31/08/28/948310828.db2.gz IYXOXLVRRIARDK-UHFFFAOYSA-N 2 2 354.317 3.565 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004832 948412901 /nfs/dbraw/zinc/41/29/01/948412901.db2.gz AFKDNQFVVRGGDA-YVCBRDFCSA-N 2 2 356.485 3.890 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004832 948412903 /nfs/dbraw/zinc/41/29/03/948412903.db2.gz AFKDNQFVVRGGDA-YVCBRDFCSA-N 2 2 356.485 3.890 20 0 FHADLP Fc1ccc(/C=C\C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000512122834 948478343 /nfs/dbraw/zinc/47/83/43/948478343.db2.gz MUNWQDYGELLSDC-DJWKRKHSSA-N 2 2 358.432 3.600 20 0 FHADLP Cn1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(-c2cccs2)n1 ZINC000895110548 948637130 /nfs/dbraw/zinc/63/71/30/948637130.db2.gz OXOCGIUVFAHIBJ-QAQDUYKDSA-N 2 2 367.522 3.820 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(O[C@H]3CCOC3)cc2)c2cccc[nH+]2)CC1 ZINC000895115258 948722678 /nfs/dbraw/zinc/72/26/78/948722678.db2.gz NNLATRLOKHRDRU-ZJOUEHCJSA-N 2 2 367.493 3.526 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663713786 948780309 /nfs/dbraw/zinc/78/03/09/948780309.db2.gz GAKFKTMDWYAAFJ-RHSMWYFYSA-N 2 2 352.438 3.536 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000042904002 210047740 /nfs/dbraw/zinc/04/77/40/210047740.db2.gz ARSTWLKOAKVELX-LJQANCHMSA-N 2 2 350.466 3.905 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc4c3OC(C)(C)C4)[nH+]c2)C1 ZINC000533442049 517465116 /nfs/dbraw/zinc/46/51/16/517465116.db2.gz RXRWPAKLVWRBQP-IBGZPJMESA-N 2 2 366.509 3.548 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275846854 527498606 /nfs/dbraw/zinc/49/86/06/527498606.db2.gz WNMKKDIJYYBOMM-INIZCTEOSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3cc[nH]c32)C1 ZINC000275846854 527498610 /nfs/dbraw/zinc/49/86/10/527498610.db2.gz WNMKKDIJYYBOMM-INIZCTEOSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275846854 527498614 /nfs/dbraw/zinc/49/86/14/527498614.db2.gz WNMKKDIJYYBOMM-INIZCTEOSA-N 2 2 354.523 3.887 20 0 FHADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000275846854 527498619 /nfs/dbraw/zinc/49/86/19/527498619.db2.gz WNMKKDIJYYBOMM-INIZCTEOSA-N 2 2 354.523 3.887 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc3cccnc32)CCO1 ZINC000275702756 527512826 /nfs/dbraw/zinc/51/28/26/527512826.db2.gz XTEZCGXAOXCRHR-FUHWJXTLSA-N 2 2 356.857 3.632 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602709475 568018753 /nfs/dbraw/zinc/01/87/53/568018753.db2.gz UDKBNFBPVGZRKB-MUNBIWSKSA-N 2 2 360.567 3.634 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602709475 568018754 /nfs/dbraw/zinc/01/87/54/568018754.db2.gz UDKBNFBPVGZRKB-MUNBIWSKSA-N 2 2 360.567 3.634 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119698 568224501 /nfs/dbraw/zinc/22/45/01/568224501.db2.gz FTCVNNIFPRYKFP-HWELCPFYSA-N 3 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC([NH+]4CCCCC4)C3)CC23CC3)cc1 ZINC000563119698 568224502 /nfs/dbraw/zinc/22/45/02/568224502.db2.gz FTCVNNIFPRYKFP-HWELCPFYSA-N 3 2 353.554 3.790 20 0 FHADLP COc1ncc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC000516714715 568236496 /nfs/dbraw/zinc/23/64/96/568236496.db2.gz LWPSJRJKUSFTIO-UHFFFAOYSA-N 2 2 365.827 3.592 20 0 FHADLP Cc1cc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc(C2CC2)[nH+]1 ZINC000604756949 568365077 /nfs/dbraw/zinc/36/50/77/568365077.db2.gz MEBZLJSHUDSARY-MRXNPFEDSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc(C2CC2)[nH+]1 ZINC000604756949 568365078 /nfs/dbraw/zinc/36/50/78/568365078.db2.gz MEBZLJSHUDSARY-MRXNPFEDSA-N 2 2 350.510 3.928 20 0 FHADLP C[C@@H](CC[N@@H+]1CCOC2(CCCCC2)C1)[NH+]1CCOC2(CCCCC2)C1 ZINC000431601763 568382071 /nfs/dbraw/zinc/38/20/71/568382071.db2.gz FRALKRWGIMXVGE-FQEVSTJZSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@@H](CC[N@H+]1CCOC2(CCCCC2)C1)[NH+]1CCOC2(CCCCC2)C1 ZINC000431601763 568382072 /nfs/dbraw/zinc/38/20/72/568382072.db2.gz FRALKRWGIMXVGE-FQEVSTJZSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@@H](CC[NH+]1CCOC2(CCCCC2)C1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000431601763 568382073 /nfs/dbraw/zinc/38/20/73/568382073.db2.gz FRALKRWGIMXVGE-FQEVSTJZSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@@H](CC[NH+]1CCOC2(CCCCC2)C1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000431601763 568382074 /nfs/dbraw/zinc/38/20/74/568382074.db2.gz FRALKRWGIMXVGE-FQEVSTJZSA-N 2 2 364.574 3.835 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)CC1 ZINC000643263109 568431589 /nfs/dbraw/zinc/43/15/89/568431589.db2.gz QQMFTEISMYNUJP-UHFFFAOYSA-N 2 2 370.541 3.588 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C4CC4)cc3)CC2)CC1 ZINC000643263109 568431591 /nfs/dbraw/zinc/43/15/91/568431591.db2.gz QQMFTEISMYNUJP-UHFFFAOYSA-N 2 2 370.541 3.588 20 0 FHADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992582 936349355 /nfs/dbraw/zinc/34/93/55/936349355.db2.gz HCHDMYDMAVSJSP-BXKDBHETSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992582 936349358 /nfs/dbraw/zinc/34/93/58/936349358.db2.gz HCHDMYDMAVSJSP-BXKDBHETSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992582 936349360 /nfs/dbraw/zinc/34/93/60/936349360.db2.gz HCHDMYDMAVSJSP-BXKDBHETSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992582 936349364 /nfs/dbraw/zinc/34/93/64/936349364.db2.gz HCHDMYDMAVSJSP-BXKDBHETSA-N 2 2 351.741 3.936 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000426169811 945068743 /nfs/dbraw/zinc/06/87/43/945068743.db2.gz IPEVLZIJIMHQNU-RXVVDRJESA-N 2 2 368.521 3.976 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1O ZINC000426169811 945068751 /nfs/dbraw/zinc/06/87/51/945068751.db2.gz IPEVLZIJIMHQNU-RXVVDRJESA-N 2 2 368.521 3.976 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000583051162 937080362 /nfs/dbraw/zinc/08/03/62/937080362.db2.gz CIRAEOPLXKDZIB-AUSIDOKSSA-N 2 2 360.505 3.684 20 0 FHADLP COc1ccccc1[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC(C)C ZINC000274602281 927218284 /nfs/dbraw/zinc/21/82/84/927218284.db2.gz QDZRXMOHXCMTDP-OAQYLSRUSA-N 2 2 369.509 3.815 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000162575058 937183194 /nfs/dbraw/zinc/18/31/94/937183194.db2.gz KJEXRTGTWDMPSL-GOSISDBHSA-N 3 2 364.493 3.664 20 0 FHADLP CC[NH+](CC)[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)c1ccco1 ZINC000180161424 929408945 /nfs/dbraw/zinc/40/89/45/929408945.db2.gz ZIULZEUZFAHGDL-MRXNPFEDSA-N 2 2 361.452 3.669 20 0 FHADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275094942 929547592 /nfs/dbraw/zinc/54/75/92/929547592.db2.gz VKMMCLSWFRNAIW-HNNXBMFYSA-N 2 2 352.482 3.707 20 0 FHADLP Clc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000657750161 937339653 /nfs/dbraw/zinc/33/96/53/937339653.db2.gz BXMQTHUDSPCQFO-MRXNPFEDSA-N 2 2 360.885 3.943 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000125960037 937347080 /nfs/dbraw/zinc/34/70/80/937347080.db2.gz DOCWJVVBOWDDDM-MGPUTAFESA-N 2 2 355.457 3.650 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000125960037 937347084 /nfs/dbraw/zinc/34/70/84/937347084.db2.gz DOCWJVVBOWDDDM-MGPUTAFESA-N 2 2 355.457 3.650 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286453 937348807 /nfs/dbraw/zinc/34/88/07/937348807.db2.gz ZNGYTEPRZQSNGP-UYAOXDASSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCCC2 ZINC000647286453 937348810 /nfs/dbraw/zinc/34/88/10/937348810.db2.gz ZNGYTEPRZQSNGP-UYAOXDASSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc2n(n1)CCCC2 ZINC000647286797 937361120 /nfs/dbraw/zinc/36/11/20/937361120.db2.gz RNWNCVTXCHFSSG-SJORKVTESA-N 2 2 358.555 3.844 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc2n(n1)CCCC2 ZINC000647286797 937361123 /nfs/dbraw/zinc/36/11/23/937361123.db2.gz RNWNCVTXCHFSSG-SJORKVTESA-N 2 2 358.555 3.844 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010717 929933149 /nfs/dbraw/zinc/93/31/49/929933149.db2.gz YJLZDOBIRGNLMK-IEBWSBKVSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010717 929933189 /nfs/dbraw/zinc/93/31/89/929933189.db2.gz YJLZDOBIRGNLMK-IEBWSBKVSA-N 2 2 366.509 3.653 20 0 FHADLP O[C@@]1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC[C@@H](C(F)(F)F)C1 ZINC000548036041 930097020 /nfs/dbraw/zinc/09/70/20/930097020.db2.gz LKPIPODRFNOTBH-DOMZBBRYSA-N 2 2 359.417 3.507 20 0 FHADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580276392 930430220 /nfs/dbraw/zinc/43/02/20/930430220.db2.gz MEICCROMSBJUJP-UHFFFAOYSA-N 2 2 358.457 3.507 20 0 FHADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000580276392 930430231 /nfs/dbraw/zinc/43/02/31/930430231.db2.gz MEICCROMSBJUJP-UHFFFAOYSA-N 2 2 358.457 3.507 20 0 FHADLP CC[NH+]1CCN([C@@H]2CCN(c3c(C)c(C)[nH+]c4c(Cl)cccc43)C2)CC1 ZINC000583413501 937421664 /nfs/dbraw/zinc/42/16/64/937421664.db2.gz GAXGNZKSOOEAQV-QGZVFWFLSA-N 2 2 372.944 3.721 20 0 FHADLP CCN1CC[NH+]([C@@H]2CCN(c3c(C)c(C)[nH+]c4c(Cl)cccc43)C2)CC1 ZINC000583413501 937421666 /nfs/dbraw/zinc/42/16/66/937421666.db2.gz GAXGNZKSOOEAQV-QGZVFWFLSA-N 2 2 372.944 3.721 20 0 FHADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3C)CC1)n2C ZINC000471595960 930865522 /nfs/dbraw/zinc/86/55/22/930865522.db2.gz VWTPVEUWOWIGMB-OXQOHEQNSA-N 2 2 370.541 3.715 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167442103 931462399 /nfs/dbraw/zinc/46/23/99/931462399.db2.gz BDGSBLKVXFTWIP-FGZHOGPDSA-N 2 2 374.569 3.934 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167442103 931462403 /nfs/dbraw/zinc/46/24/03/931462403.db2.gz BDGSBLKVXFTWIP-FGZHOGPDSA-N 2 2 374.569 3.934 20 0 FHADLP Fc1cc(Br)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1F ZINC000581076900 931542750 /nfs/dbraw/zinc/54/27/50/931542750.db2.gz LUQCWKFOASPTJV-GFCCVEGCSA-N 2 2 359.258 3.549 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000375638690 931703555 /nfs/dbraw/zinc/70/35/55/931703555.db2.gz INBDRJITEWDDML-PZJWPPBQSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000375638690 931703562 /nfs/dbraw/zinc/70/35/62/931703562.db2.gz INBDRJITEWDDML-PZJWPPBQSA-N 2 2 371.550 3.996 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313114740 931738122 /nfs/dbraw/zinc/73/81/22/931738122.db2.gz ZPUSOYXDBWHGJP-FPOVZHCZSA-N 2 2 360.505 3.873 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313114740 931738126 /nfs/dbraw/zinc/73/81/26/931738126.db2.gz ZPUSOYXDBWHGJP-FPOVZHCZSA-N 2 2 360.505 3.873 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000430550163 931799256 /nfs/dbraw/zinc/79/92/56/931799256.db2.gz JSFWDVVZRRMHFA-LEWJYISDSA-N 2 2 373.928 3.509 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560706 931849949 /nfs/dbraw/zinc/84/99/49/931849949.db2.gz HRPIWLIEVRWZEF-NVXWUHKLSA-N 2 2 366.575 3.503 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560706 931849953 /nfs/dbraw/zinc/84/99/53/931849953.db2.gz HRPIWLIEVRWZEF-NVXWUHKLSA-N 2 2 366.575 3.503 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561977 931851933 /nfs/dbraw/zinc/85/19/33/931851933.db2.gz BSURHSRXNJLGNO-LLVKDONJSA-N 2 2 356.392 3.733 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561977 931851937 /nfs/dbraw/zinc/85/19/37/931851937.db2.gz BSURHSRXNJLGNO-LLVKDONJSA-N 2 2 356.392 3.733 20 0 FHADLP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163159 931974768 /nfs/dbraw/zinc/97/47/68/931974768.db2.gz YTSGAYONLOXJHK-HFSMHLIXSA-N 2 2 357.567 3.851 20 0 FHADLP C[C@H](NC[C@H](c1ccsc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163159 931974774 /nfs/dbraw/zinc/97/47/74/931974774.db2.gz YTSGAYONLOXJHK-HFSMHLIXSA-N 2 2 357.567 3.851 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000124066808 932130641 /nfs/dbraw/zinc/13/06/41/932130641.db2.gz PBTOUVXQFSFUPY-WIYYLYMNSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000124066808 932130646 /nfs/dbraw/zinc/13/06/46/932130646.db2.gz PBTOUVXQFSFUPY-WIYYLYMNSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124066808 932130647 /nfs/dbraw/zinc/13/06/47/932130647.db2.gz PBTOUVXQFSFUPY-WIYYLYMNSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124066808 932130652 /nfs/dbraw/zinc/13/06/52/932130652.db2.gz PBTOUVXQFSFUPY-WIYYLYMNSA-N 2 2 352.526 3.633 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C/C=C/c2ccccc2OC)cc1F ZINC000656791185 932423604 /nfs/dbraw/zinc/42/36/04/932423604.db2.gz VTTWXZNXHRGCRJ-HSSUXASLSA-N 2 2 370.468 3.591 20 0 FHADLP Fc1ccc(-c2ccn(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000157934012 932668050 /nfs/dbraw/zinc/66/80/50/932668050.db2.gz HDAPCAPDCWVKMG-UTKZUKDTSA-N 2 2 354.473 3.595 20 0 FHADLP Fc1ccc(-c2ccn(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000157934012 932668054 /nfs/dbraw/zinc/66/80/54/932668054.db2.gz HDAPCAPDCWVKMG-UTKZUKDTSA-N 2 2 354.473 3.595 20 0 FHADLP Fc1ccc(-c2ccn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000157934012 932668058 /nfs/dbraw/zinc/66/80/58/932668058.db2.gz HDAPCAPDCWVKMG-UTKZUKDTSA-N 2 2 354.473 3.595 20 0 FHADLP Fc1ccc(-c2ccn(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000157934012 932668061 /nfs/dbraw/zinc/66/80/61/932668061.db2.gz HDAPCAPDCWVKMG-UTKZUKDTSA-N 2 2 354.473 3.595 20 0 FHADLP Brc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232869 932823808 /nfs/dbraw/zinc/82/38/08/932823808.db2.gz SDGLCRFTGFSCJZ-RDTXWAMCSA-N 2 2 374.326 3.961 20 0 FHADLP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232869 932823811 /nfs/dbraw/zinc/82/38/11/932823811.db2.gz SDGLCRFTGFSCJZ-RDTXWAMCSA-N 2 2 374.326 3.961 20 0 FHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952062 933104027 /nfs/dbraw/zinc/10/40/27/933104027.db2.gz XMEZAKMJNYVESD-NRFANRHFSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952062 933104031 /nfs/dbraw/zinc/10/40/31/933104031.db2.gz XMEZAKMJNYVESD-NRFANRHFSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952062 933104037 /nfs/dbraw/zinc/10/40/37/933104037.db2.gz XMEZAKMJNYVESD-NRFANRHFSA-N 2 2 353.510 3.824 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000581952062 933104042 /nfs/dbraw/zinc/10/40/42/933104042.db2.gz XMEZAKMJNYVESD-NRFANRHFSA-N 2 2 353.510 3.824 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721194 933105970 /nfs/dbraw/zinc/10/59/70/933105970.db2.gz KQDCYKHYLUOTJL-CZUORRHYSA-N 2 2 355.320 3.810 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721194 933105975 /nfs/dbraw/zinc/10/59/75/933105975.db2.gz KQDCYKHYLUOTJL-CZUORRHYSA-N 2 2 355.320 3.810 20 0 FHADLP CCCCc1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854569 933156939 /nfs/dbraw/zinc/15/69/39/933156939.db2.gz ATBMUONWBQOAJM-MOPGFXCFSA-N 2 2 356.514 3.584 20 0 FHADLP CCCCc1noc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854569 933156942 /nfs/dbraw/zinc/15/69/42/933156942.db2.gz ATBMUONWBQOAJM-MOPGFXCFSA-N 2 2 356.514 3.584 20 0 FHADLP COc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000510592892 933247295 /nfs/dbraw/zinc/24/72/95/933247295.db2.gz RWAQCBDLHSRAPI-SFHVURJKSA-N 2 2 367.493 3.680 20 0 FHADLP COc1ccc(C(=O)CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000510592892 933247301 /nfs/dbraw/zinc/24/73/01/933247301.db2.gz RWAQCBDLHSRAPI-SFHVURJKSA-N 2 2 367.493 3.680 20 0 FHADLP CC[NH+](CC)CCSc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1 ZINC000131166242 933357963 /nfs/dbraw/zinc/35/79/63/933357963.db2.gz ISVFKGKBDSHFPR-UHFFFAOYSA-N 2 2 373.570 3.687 20 0 FHADLP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000430927097 933424649 /nfs/dbraw/zinc/42/46/49/933424649.db2.gz PLDMHALIVJSCDG-CHWSQXEVSA-N 2 2 374.554 3.514 20 0 FHADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940787 933450876 /nfs/dbraw/zinc/45/08/76/933450876.db2.gz RDWXGGMYUWMYQW-MRXNPFEDSA-N 2 2 354.885 3.519 20 0 FHADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)C1 ZINC000430940787 933450880 /nfs/dbraw/zinc/45/08/80/933450880.db2.gz RDWXGGMYUWMYQW-MRXNPFEDSA-N 2 2 354.885 3.519 20 0 FHADLP COc1cccc(-c2csc(C[NH+]3CCC(n4cc[nH+]c4)CC3)n2)c1 ZINC000891842788 933553439 /nfs/dbraw/zinc/55/34/39/933553439.db2.gz RVEPMLYXDAUAOS-UHFFFAOYSA-N 2 2 354.479 3.852 20 0 FHADLP Brc1ccc2c(c1)C=C(C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000092073265 933950970 /nfs/dbraw/zinc/95/09/70/933950970.db2.gz BDQDDPHIAQJRAM-CQSZACIVSA-N 2 2 374.282 3.828 20 0 FHADLP Brc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CO2 ZINC000092073265 933950978 /nfs/dbraw/zinc/95/09/78/933950978.db2.gz BDQDDPHIAQJRAM-CQSZACIVSA-N 2 2 374.282 3.828 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc3O2)CC1 ZINC000647223098 934077770 /nfs/dbraw/zinc/07/77/70/934077770.db2.gz ZTVLCFNGLQLRQD-CQSZACIVSA-N 2 2 360.445 3.546 20 0 FHADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000119544807 934606419 /nfs/dbraw/zinc/60/64/19/934606419.db2.gz MONNNKCVXHBBPE-UHFFFAOYSA-N 2 2 359.495 3.614 20 0 FHADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000119544807 934606423 /nfs/dbraw/zinc/60/64/23/934606423.db2.gz MONNNKCVXHBBPE-UHFFFAOYSA-N 2 2 359.495 3.614 20 0 FHADLP C[N@H+](Cc1ccc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172538564 934651367 /nfs/dbraw/zinc/65/13/67/934651367.db2.gz AZNFNESJIRDEDN-UHFFFAOYSA-N 2 2 374.326 3.941 20 0 FHADLP C[N@@H+](Cc1ccc(Br)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000172538564 934651375 /nfs/dbraw/zinc/65/13/75/934651375.db2.gz AZNFNESJIRDEDN-UHFFFAOYSA-N 2 2 374.326 3.941 20 0 FHADLP C[NH+](C)C[C@H](NCc1c[nH+]c2n1CCC2)c1ccc(Cl)c(Cl)c1 ZINC000623731328 934878938 /nfs/dbraw/zinc/87/89/38/934878938.db2.gz RXPVRJRTRRUSRD-INIZCTEOSA-N 2 2 353.297 3.529 20 0 FHADLP OCc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000684669557 934884763 /nfs/dbraw/zinc/88/47/63/934884763.db2.gz UUZPMAMMYFNGLA-UHFFFAOYSA-N 2 2 355.869 3.731 20 0 FHADLP OCc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1 ZINC000684669557 934884769 /nfs/dbraw/zinc/88/47/69/934884769.db2.gz UUZPMAMMYFNGLA-UHFFFAOYSA-N 2 2 355.869 3.731 20 0 FHADLP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657310050 935081414 /nfs/dbraw/zinc/08/14/14/935081414.db2.gz KEGAUHOITYAIBV-UHFFFAOYSA-N 2 2 353.514 3.525 20 0 FHADLP C[C@H](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)n1cc[nH+]c1 ZINC000563236904 935197579 /nfs/dbraw/zinc/19/75/79/935197579.db2.gz AEEMAVKIHVFJSU-GUDVDZBRSA-N 2 2 368.525 3.629 20 0 FHADLP COC(=O)c1cc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)oc1C ZINC000292997491 945090749 /nfs/dbraw/zinc/09/07/49/945090749.db2.gz SLYXFLQIPGKCOP-KBPBESRZSA-N 2 2 353.422 3.972 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363863 935378038 /nfs/dbraw/zinc/37/80/38/935378038.db2.gz QCTWAPWECXHLDK-OXQOHEQNSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363863 935378045 /nfs/dbraw/zinc/37/80/45/935378045.db2.gz QCTWAPWECXHLDK-OXQOHEQNSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388334 935502558 /nfs/dbraw/zinc/50/25/58/935502558.db2.gz JKXZEMYNLCBWQX-PXNSSMCTSA-N 2 2 352.526 3.830 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2c(C3CCC3)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388334 935502560 /nfs/dbraw/zinc/50/25/60/935502560.db2.gz JKXZEMYNLCBWQX-PXNSSMCTSA-N 2 2 352.526 3.830 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000277593573 935689813 /nfs/dbraw/zinc/68/98/13/935689813.db2.gz VBVUKSJACGYKNS-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1OCc1ccncc1 ZINC000277593573 935689815 /nfs/dbraw/zinc/68/98/15/935689815.db2.gz VBVUKSJACGYKNS-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP c1c2ccncc2sc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000657447888 935789992 /nfs/dbraw/zinc/78/99/92/935789992.db2.gz SGIRBZHARNZSMX-LJQANCHMSA-N 2 2 367.518 3.677 20 0 FHADLP c1c2ccncc2sc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000657447888 935789995 /nfs/dbraw/zinc/78/99/95/935789995.db2.gz SGIRBZHARNZSMX-LJQANCHMSA-N 2 2 367.518 3.677 20 0 FHADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)s2)CC1 ZINC000159081335 935795816 /nfs/dbraw/zinc/79/58/16/935795816.db2.gz AQUROTPCODYPNK-LBPRGKRZSA-N 2 2 361.349 3.662 20 0 FHADLP COCc1ccccc1/C=C(\C)C[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000511152420 935806750 /nfs/dbraw/zinc/80/67/50/935806750.db2.gz JDSKWMYIKISFGB-NBVRZTHBSA-N 2 2 360.542 3.715 20 0 FHADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000511169001 935849126 /nfs/dbraw/zinc/84/91/26/935849126.db2.gz JJNBEDROJUOFDS-RTBURBONSA-N 2 2 368.521 3.813 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000152832025 935869511 /nfs/dbraw/zinc/86/95/11/935869511.db2.gz MQJQEQHNAJVINA-MRXNPFEDSA-N 2 2 357.473 3.587 20 0 FHADLP COc1cc(OC)c([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000152811641 935870466 /nfs/dbraw/zinc/87/04/66/935870466.db2.gz DRSVZHBPMMQBDR-CYBMUJFWSA-N 2 2 363.889 3.783 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(F)cc1N(C)C ZINC000152877955 935877206 /nfs/dbraw/zinc/87/72/06/935877206.db2.gz CNGQNHMJEVRFPS-QGZVFWFLSA-N 2 2 370.516 3.644 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])n2)CC1 ZINC000582724161 935989473 /nfs/dbraw/zinc/98/94/73/935989473.db2.gz BYBUNQLXILMLSZ-IAGOWNOFSA-N 2 2 364.559 3.611 20 0 FHADLP O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000061003042 936244094 /nfs/dbraw/zinc/24/40/94/936244094.db2.gz QSGSUEFVGJAMDJ-UHFFFAOYSA-N 2 2 360.801 3.885 20 0 FHADLP Clc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCO2 ZINC000548798486 938283061 /nfs/dbraw/zinc/28/30/61/938283061.db2.gz XXMJGRSHLYCBDM-HNNXBMFYSA-N 2 2 373.884 3.981 20 0 FHADLP Clc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCO2 ZINC000548798486 938283062 /nfs/dbraw/zinc/28/30/62/938283062.db2.gz XXMJGRSHLYCBDM-HNNXBMFYSA-N 2 2 373.884 3.981 20 0 FHADLP CC(C)C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC000583700681 938366070 /nfs/dbraw/zinc/36/60/70/938366070.db2.gz UKKBJEIFUUCKQY-NLWGTHIKSA-N 2 2 356.514 3.716 20 0 FHADLP c1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000657806159 938480605 /nfs/dbraw/zinc/48/06/05/938480605.db2.gz HRDDMOXCQMWZBB-DEOSSOPVSA-N 2 2 363.549 3.558 20 0 FHADLP c1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC000657806159 938480608 /nfs/dbraw/zinc/48/06/08/938480608.db2.gz HRDDMOXCQMWZBB-DEOSSOPVSA-N 2 2 363.549 3.558 20 0 FHADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)[nH+]1 ZINC000092813233 938524142 /nfs/dbraw/zinc/52/41/42/938524142.db2.gz LMRMESZQMXTZBY-ZBFHGGJFSA-N 2 2 356.539 3.905 20 0 FHADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nc4c(s3)C[C@H](C)CC4)C2)[nH+]1 ZINC000092813233 938524143 /nfs/dbraw/zinc/52/41/43/938524143.db2.gz LMRMESZQMXTZBY-ZBFHGGJFSA-N 2 2 356.539 3.905 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)OCCO2 ZINC000151323698 938527558 /nfs/dbraw/zinc/52/75/58/938527558.db2.gz CSLKNNUUKFWWBV-FQEVSTJZSA-N 2 2 363.461 3.944 20 0 FHADLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000657814176 938528537 /nfs/dbraw/zinc/52/85/37/938528537.db2.gz ALAXOGLCSGFCDQ-JTSKRJEESA-N 2 2 356.485 3.544 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541682 945188738 /nfs/dbraw/zinc/18/87/38/945188738.db2.gz XNCPYKWMAKRBPF-HSZRJFAPSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541682 945188741 /nfs/dbraw/zinc/18/87/41/945188741.db2.gz XNCPYKWMAKRBPF-HSZRJFAPSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541682 945188743 /nfs/dbraw/zinc/18/87/43/945188743.db2.gz XNCPYKWMAKRBPF-HSZRJFAPSA-N 2 2 358.489 3.728 20 0 FHADLP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4cnc5ccccc5n4)C3)C2)cc1 ZINC000660541682 945188750 /nfs/dbraw/zinc/18/87/50/945188750.db2.gz XNCPYKWMAKRBPF-HSZRJFAPSA-N 2 2 358.489 3.728 20 0 FHADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151691600 938632304 /nfs/dbraw/zinc/63/23/04/938632304.db2.gz UTOFGTKRXOZSDT-ZIAGYGMSSA-N 2 2 374.286 3.571 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968088 938710755 /nfs/dbraw/zinc/71/07/55/938710755.db2.gz LHZPQUGFYDCQJZ-UHFFFAOYSA-N 2 2 372.900 3.583 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968088 938710757 /nfs/dbraw/zinc/71/07/57/938710757.db2.gz LHZPQUGFYDCQJZ-UHFFFAOYSA-N 2 2 372.900 3.583 20 0 FHADLP Cc1cc(C)c(NC(=O)C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000080968099 938710818 /nfs/dbraw/zinc/71/08/18/938710818.db2.gz AACQDVGSNUCRGE-UHFFFAOYSA-N 2 2 366.509 3.546 20 0 FHADLP Cc1cc(C)c(NC(=O)C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)c(C)c1 ZINC000080968099 938710820 /nfs/dbraw/zinc/71/08/20/938710820.db2.gz AACQDVGSNUCRGE-UHFFFAOYSA-N 2 2 366.509 3.546 20 0 FHADLP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000090805939 938882582 /nfs/dbraw/zinc/88/25/82/938882582.db2.gz LJFVWNWEZWTPQC-NQIIRXRSSA-N 2 2 351.494 3.808 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000093318342 938924623 /nfs/dbraw/zinc/92/46/23/938924623.db2.gz AAUZAGYZAXCAFQ-FUHWJXTLSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000093318342 938924625 /nfs/dbraw/zinc/92/46/25/938924625.db2.gz AAUZAGYZAXCAFQ-FUHWJXTLSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318342 938924627 /nfs/dbraw/zinc/92/46/27/938924627.db2.gz AAUZAGYZAXCAFQ-FUHWJXTLSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318342 938924629 /nfs/dbraw/zinc/92/46/29/938924629.db2.gz AAUZAGYZAXCAFQ-FUHWJXTLSA-N 2 2 358.555 3.694 20 0 FHADLP COC(=O)c1sc2ccccc2c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467151531 938984685 /nfs/dbraw/zinc/98/46/85/938984685.db2.gz ZVDLKUQYODGOTI-UHFFFAOYSA-N 2 2 355.463 3.791 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572098 938992043 /nfs/dbraw/zinc/99/20/43/938992043.db2.gz CTKJLKDHBQNZQX-FUHWJXTLSA-N 2 2 368.912 3.845 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000708572098 938992044 /nfs/dbraw/zinc/99/20/44/938992044.db2.gz CTKJLKDHBQNZQX-FUHWJXTLSA-N 2 2 368.912 3.845 20 0 FHADLP CC(C)C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000635573414 938992556 /nfs/dbraw/zinc/99/25/56/938992556.db2.gz GKVUTKMVANJJGR-NQIIRXRSSA-N 2 2 368.525 3.812 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090136 939022260 /nfs/dbraw/zinc/02/22/60/939022260.db2.gz DPVQFYWVURIABH-ZFWWWQNUSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090136 939022261 /nfs/dbraw/zinc/02/22/61/939022261.db2.gz DPVQFYWVURIABH-ZFWWWQNUSA-N 2 2 367.921 3.528 20 0 FHADLP CC[N@H+](C[C@H]1C[C@@H](OC)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001167681281 939025263 /nfs/dbraw/zinc/02/52/63/939025263.db2.gz WOUQMDMMFXTZGM-IZAXUBKRSA-N 2 2 360.546 3.624 20 0 FHADLP CC[N@@H+](C[C@H]1C[C@@H](OC)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001167681281 939025265 /nfs/dbraw/zinc/02/52/65/939025265.db2.gz WOUQMDMMFXTZGM-IZAXUBKRSA-N 2 2 360.546 3.624 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000516770504 945223947 /nfs/dbraw/zinc/22/39/47/945223947.db2.gz MTHRHUJEXAKRBV-AWEZNQCLSA-N 2 2 370.337 3.742 20 0 FHADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000658294187 939099960 /nfs/dbraw/zinc/09/99/60/939099960.db2.gz LZQJETDQVSUDOW-UNMCSNQZSA-N 2 2 370.537 3.622 20 0 FHADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294147 939100641 /nfs/dbraw/zinc/10/06/41/939100641.db2.gz LXBALVVRIZPMIM-VYDXJSESSA-N 2 2 359.539 3.631 20 0 FHADLP Fc1ccccc1C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000658297112 939102265 /nfs/dbraw/zinc/10/22/65/939102265.db2.gz YDAGYUJXNCQOIN-JTHBVZDNSA-N 2 2 368.496 3.952 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318911 939110509 /nfs/dbraw/zinc/11/05/09/939110509.db2.gz UVNSPIFHXCXOBK-AZUAARDMSA-N 2 2 352.526 3.681 20 0 FHADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318911 939110511 /nfs/dbraw/zinc/11/05/11/939110511.db2.gz UVNSPIFHXCXOBK-AZUAARDMSA-N 2 2 352.526 3.681 20 0 FHADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421848164 939132606 /nfs/dbraw/zinc/13/26/06/939132606.db2.gz ADIJDKPZRBKNAU-INIZCTEOSA-N 2 2 352.869 3.958 20 0 FHADLP Cc1cc(NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)nc(C)[nH+]1 ZINC000548895257 939209995 /nfs/dbraw/zinc/20/99/95/939209995.db2.gz LCWXGTONRCAKSG-UHFFFAOYSA-N 2 2 363.465 3.825 20 0 FHADLP CCCCc1noc([C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278783601 939898439 /nfs/dbraw/zinc/89/84/39/939898439.db2.gz DICFQKOWMDPMLY-HNNXBMFYSA-N 2 2 357.502 3.886 20 0 FHADLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801728 939915883 /nfs/dbraw/zinc/91/58/83/939915883.db2.gz NCTYCNUVFONBLF-MDNKFWRPSA-N 2 2 360.546 3.510 20 0 FHADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375801728 939915885 /nfs/dbraw/zinc/91/58/85/939915885.db2.gz NCTYCNUVFONBLF-MDNKFWRPSA-N 2 2 360.546 3.510 20 0 FHADLP CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492175 940042199 /nfs/dbraw/zinc/04/21/99/940042199.db2.gz LLIOFZBNRQTTJM-UHFFFAOYSA-N 2 2 351.516 3.812 20 0 FHADLP CCc1cccnc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000507529264 945305633 /nfs/dbraw/zinc/30/56/33/945305633.db2.gz OUFWDGJPIKZILT-FQEVSTJZSA-N 2 2 366.553 3.815 20 0 FHADLP C[C@@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177774013 940426738 /nfs/dbraw/zinc/42/67/38/940426738.db2.gz TWLLCYNAYYLXRI-ROUUACIJSA-N 2 2 364.534 3.821 20 0 FHADLP C[C@@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177774041 940426816 /nfs/dbraw/zinc/42/68/16/940426816.db2.gz TWLLCYNAYYLXRI-ZWKOTPCHSA-N 2 2 364.534 3.821 20 0 FHADLP CSc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000685844071 940443832 /nfs/dbraw/zinc/44/38/32/940443832.db2.gz MZMKKUNOEWKORX-IBGZPJMESA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)s1 ZINC000685844071 940443835 /nfs/dbraw/zinc/44/38/35/940443835.db2.gz MZMKKUNOEWKORX-IBGZPJMESA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000685844071 940443839 /nfs/dbraw/zinc/44/38/39/940443839.db2.gz MZMKKUNOEWKORX-IBGZPJMESA-N 2 2 362.564 3.539 20 0 FHADLP CSc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000685844071 940443847 /nfs/dbraw/zinc/44/38/47/940443847.db2.gz MZMKKUNOEWKORX-IBGZPJMESA-N 2 2 362.564 3.539 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1cc2n(n1)CCC2 ZINC000414075709 940481446 /nfs/dbraw/zinc/48/14/46/940481446.db2.gz PLHDIOIVXSNDIF-GOSISDBHSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cc2n(n1)CCC2 ZINC000414108831 940511052 /nfs/dbraw/zinc/51/10/52/940511052.db2.gz GMYKAXQCRANRSQ-QGZVFWFLSA-N 2 2 364.493 3.905 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cc2n(n1)CCC2 ZINC000414108831 940511055 /nfs/dbraw/zinc/51/10/55/940511055.db2.gz GMYKAXQCRANRSQ-QGZVFWFLSA-N 2 2 364.493 3.905 20 0 FHADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431800949 940602835 /nfs/dbraw/zinc/60/28/35/940602835.db2.gz XZYCVEJWQVZGDV-FXAWDEMLSA-N 2 2 371.550 3.646 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414130552 940643905 /nfs/dbraw/zinc/64/39/05/940643905.db2.gz WQXGIGDVFAICKY-VOBGVNJCSA-N 2 2 350.510 3.676 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc2n(n1)CCC2 ZINC000414130552 940643907 /nfs/dbraw/zinc/64/39/07/940643907.db2.gz WQXGIGDVFAICKY-VOBGVNJCSA-N 2 2 350.510 3.676 20 0 FHADLP FC(F)(F)c1ccc(-c2nc(C[NH2+]CCn3cc[nH+]c3)cs2)cc1 ZINC000066608638 940723687 /nfs/dbraw/zinc/72/36/87/940723687.db2.gz BWCDHFQNKUYAKI-UHFFFAOYSA-N 2 2 352.385 3.815 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337540 941002094 /nfs/dbraw/zinc/00/20/94/941002094.db2.gz QNEAMLSZVFITGA-MDNKFWRPSA-N 2 2 359.558 3.864 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337540 941002097 /nfs/dbraw/zinc/00/20/97/941002097.db2.gz QNEAMLSZVFITGA-MDNKFWRPSA-N 2 2 359.558 3.864 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000414395940 941092872 /nfs/dbraw/zinc/09/28/72/941092872.db2.gz LCSFBHDMKLTERQ-FQEVSTJZSA-N 2 2 356.489 3.770 20 0 FHADLP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000414395940 941092874 /nfs/dbraw/zinc/09/28/74/941092874.db2.gz LCSFBHDMKLTERQ-FQEVSTJZSA-N 2 2 356.489 3.770 20 0 FHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000311253106 941151770 /nfs/dbraw/zinc/15/17/70/941151770.db2.gz HNYJBOKJOHIOAM-SQNIBIBYSA-N 2 2 364.534 3.820 20 0 FHADLP COC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1F ZINC000376835350 941450069 /nfs/dbraw/zinc/45/00/69/941450069.db2.gz SUJIZYDQQUSZHN-INIZCTEOSA-N 2 2 351.853 3.532 20 0 FHADLP Brc1cncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000613644639 941539745 /nfs/dbraw/zinc/53/97/45/941539745.db2.gz VCRKHPNGFPTOKW-UHFFFAOYSA-N 2 2 366.347 3.932 20 0 FHADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C)[C@H](C)[NH3+] ZINC000415018347 941543341 /nfs/dbraw/zinc/54/33/41/941543341.db2.gz QTNSVDHXHKDWSO-QWHCGFSZSA-N 2 2 365.319 3.584 20 0 FHADLP Fc1ccc(Oc2ccccc2C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415030146 941553851 /nfs/dbraw/zinc/55/38/51/941553851.db2.gz CCQCPBAFKIHYFK-INIZCTEOSA-N 2 2 364.848 3.740 20 0 FHADLP CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039685 941560103 /nfs/dbraw/zinc/56/01/03/941560103.db2.gz JMCBGBSTBZSULC-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039685 941560106 /nfs/dbraw/zinc/56/01/06/941560106.db2.gz JMCBGBSTBZSULC-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C)o1 ZINC000549168092 941573833 /nfs/dbraw/zinc/57/38/33/941573833.db2.gz ZNXPTCJTDZAVPM-FQEVSTJZSA-N 2 2 370.493 3.765 20 0 FHADLP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C)o1 ZINC000549168092 941573836 /nfs/dbraw/zinc/57/38/36/941573836.db2.gz ZNXPTCJTDZAVPM-FQEVSTJZSA-N 2 2 370.493 3.765 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1C ZINC000415062761 941580983 /nfs/dbraw/zinc/58/09/83/941580983.db2.gz GCIQRPNWALCZDQ-UZLBHIALSA-N 2 2 353.510 3.873 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000415068478 941583228 /nfs/dbraw/zinc/58/32/28/941583228.db2.gz RCZZQZUGDSHXPL-FXAWDEMLSA-N 2 2 353.510 3.873 20 0 FHADLP COc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2cc(F)ccc2OC)c1 ZINC000415075255 941586428 /nfs/dbraw/zinc/58/64/28/941586428.db2.gz BEIXWMFIROCIBK-BTYIYWSLSA-N 2 2 358.457 3.522 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000415072019 941588786 /nfs/dbraw/zinc/58/87/86/941588786.db2.gz XJSWMSYKQAKHGB-MRXNPFEDSA-N 2 2 350.409 3.649 20 0 FHADLP C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415136659 941626193 /nfs/dbraw/zinc/62/61/93/941626193.db2.gz XMMCARVDLFMMQE-MAUKXSAKSA-N 2 2 359.901 3.731 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000415136659 941626197 /nfs/dbraw/zinc/62/61/97/941626197.db2.gz XMMCARVDLFMMQE-MAUKXSAKSA-N 2 2 359.901 3.731 20 0 FHADLP Clc1ccc(OCc2nc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000377398247 941692782 /nfs/dbraw/zinc/69/27/82/941692782.db2.gz JJICUQOVWYXZFU-CYBMUJFWSA-N 2 2 374.897 3.746 20 0 FHADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163731238 941700496 /nfs/dbraw/zinc/70/04/96/941700496.db2.gz UCPOGWOSGDDEEB-OAQYLSRUSA-N 2 2 352.478 3.522 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000377412502 941708724 /nfs/dbraw/zinc/70/87/24/941708724.db2.gz OBPKORBKEMCLAH-UAGQMJEPSA-N 2 2 373.472 3.705 20 0 FHADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000377548364 941798932 /nfs/dbraw/zinc/79/89/32/941798932.db2.gz NDPZQGJZYOEMEB-QGZVFWFLSA-N 2 2 368.525 3.840 20 0 FHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765246 941882422 /nfs/dbraw/zinc/88/24/22/941882422.db2.gz HGMFTSMKDKWUBG-UYAOXDASSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765246 941882428 /nfs/dbraw/zinc/88/24/28/941882428.db2.gz HGMFTSMKDKWUBG-UYAOXDASSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765246 941882431 /nfs/dbraw/zinc/88/24/31/941882431.db2.gz HGMFTSMKDKWUBG-UYAOXDASSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@@H]1C[C@@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765246 941882436 /nfs/dbraw/zinc/88/24/36/941882436.db2.gz HGMFTSMKDKWUBG-UYAOXDASSA-N 2 2 365.525 3.789 20 0 FHADLP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1F ZINC000893018065 941891429 /nfs/dbraw/zinc/89/14/29/941891429.db2.gz CTAUAAPHYVHHAI-UHFFFAOYSA-N 2 2 369.440 3.744 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCCO2 ZINC000513417387 941913040 /nfs/dbraw/zinc/91/30/40/941913040.db2.gz VSTZUVCBSNEXPA-GOSISDBHSA-N 2 2 374.525 3.554 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCCO2 ZINC000513417387 941913042 /nfs/dbraw/zinc/91/30/42/941913042.db2.gz VSTZUVCBSNEXPA-GOSISDBHSA-N 2 2 374.525 3.554 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713494 941919430 /nfs/dbraw/zinc/91/94/30/941919430.db2.gz XXLGIBGDJCZXOA-GOSISDBHSA-N 2 2 350.466 3.925 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000377713494 941919434 /nfs/dbraw/zinc/91/94/34/941919434.db2.gz XXLGIBGDJCZXOA-GOSISDBHSA-N 2 2 350.466 3.925 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000377720454 941934408 /nfs/dbraw/zinc/93/44/08/941934408.db2.gz NIMDGCQRBBQMFE-MRXNPFEDSA-N 2 2 358.461 3.639 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000377720454 941934409 /nfs/dbraw/zinc/93/44/09/941934409.db2.gz NIMDGCQRBBQMFE-MRXNPFEDSA-N 2 2 358.461 3.639 20 0 FHADLP c1csc([C@@H]2CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509929586 941988835 /nfs/dbraw/zinc/98/88/35/941988835.db2.gz VHJMCNCDNRKQDS-LJQANCHMSA-N 2 2 370.566 3.535 20 0 FHADLP c1csc([C@@H]2CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)n1 ZINC000509929586 941988837 /nfs/dbraw/zinc/98/88/37/941988837.db2.gz VHJMCNCDNRKQDS-LJQANCHMSA-N 2 2 370.566 3.535 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OCC(F)(F)F)c1)CCC2 ZINC000377833555 942028945 /nfs/dbraw/zinc/02/89/45/942028945.db2.gz ZLNWMEJJPKYWTH-OAHLLOKOSA-N 2 2 353.388 3.800 20 0 FHADLP CCCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434012829 942039741 /nfs/dbraw/zinc/03/97/41/942039741.db2.gz RRMYMVUSLWBGRQ-UNMCSNQZSA-N 2 2 353.510 3.995 20 0 FHADLP CCCOc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c1 ZINC000434012829 942039746 /nfs/dbraw/zinc/03/97/46/942039746.db2.gz RRMYMVUSLWBGRQ-UNMCSNQZSA-N 2 2 353.510 3.995 20 0 FHADLP CCCOc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000434012829 942039750 /nfs/dbraw/zinc/03/97/50/942039750.db2.gz RRMYMVUSLWBGRQ-UNMCSNQZSA-N 2 2 353.510 3.995 20 0 FHADLP CCCOc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434012829 942039755 /nfs/dbraw/zinc/03/97/55/942039755.db2.gz RRMYMVUSLWBGRQ-UNMCSNQZSA-N 2 2 353.510 3.995 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012586 942039889 /nfs/dbraw/zinc/03/98/89/942039889.db2.gz QVUMZNRWKCETSP-KKSHJYNMSA-N 2 2 366.553 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012586 942039892 /nfs/dbraw/zinc/03/98/92/942039892.db2.gz QVUMZNRWKCETSP-KKSHJYNMSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012586 942039895 /nfs/dbraw/zinc/03/98/95/942039895.db2.gz QVUMZNRWKCETSP-KKSHJYNMSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012586 942039899 /nfs/dbraw/zinc/03/98/99/942039899.db2.gz QVUMZNRWKCETSP-KKSHJYNMSA-N 2 2 366.553 3.929 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040480 /nfs/dbraw/zinc/04/04/80/942040480.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 2 2 370.516 3.977 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040484 /nfs/dbraw/zinc/04/04/84/942040484.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 2 2 370.516 3.977 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040488 /nfs/dbraw/zinc/04/04/88/942040488.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 2 2 370.516 3.977 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C\c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013842 942040491 /nfs/dbraw/zinc/04/04/91/942040491.db2.gz VLEAZTJXJDUDAQ-AVLNWHABSA-N 2 2 370.516 3.977 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434021401 942043418 /nfs/dbraw/zinc/04/34/18/942043418.db2.gz KGOGYSZZRHZBBB-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434021401 942043422 /nfs/dbraw/zinc/04/34/22/942043422.db2.gz KGOGYSZZRHZBBB-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434021401 942043424 /nfs/dbraw/zinc/04/34/24/942043424.db2.gz KGOGYSZZRHZBBB-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434021401 942043429 /nfs/dbraw/zinc/04/34/29/942043429.db2.gz KGOGYSZZRHZBBB-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1Br ZINC000500989060 942249408 /nfs/dbraw/zinc/24/94/08/942249408.db2.gz KOZLKDSTYNRDHT-OAHLLOKOSA-N 2 2 362.315 3.946 20 0 FHADLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1Br ZINC000500989060 942249412 /nfs/dbraw/zinc/24/94/12/942249412.db2.gz KOZLKDSTYNRDHT-OAHLLOKOSA-N 2 2 362.315 3.946 20 0 FHADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420922812 942255537 /nfs/dbraw/zinc/25/55/37/942255537.db2.gz OPEPDRCNFCWRAR-NRFANRHFSA-N 2 2 370.493 3.595 20 0 FHADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420922812 942255540 /nfs/dbraw/zinc/25/55/40/942255540.db2.gz OPEPDRCNFCWRAR-NRFANRHFSA-N 2 2 370.493 3.595 20 0 FHADLP C[C@@]1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCc2ccccc21 ZINC000420931993 942260932 /nfs/dbraw/zinc/26/09/32/942260932.db2.gz GUWFPUQSVNXUBL-HSZRJFAPSA-N 2 2 350.506 3.860 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366530 942293193 /nfs/dbraw/zinc/29/31/93/942293193.db2.gz NCMOHLWPQRKNJY-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP O[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366530 942293198 /nfs/dbraw/zinc/29/31/98/942293198.db2.gz NCMOHLWPQRKNJY-IBGZPJMESA-N 2 2 365.304 3.720 20 0 FHADLP CCc1ccc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)cc1C ZINC000421095563 942343493 /nfs/dbraw/zinc/34/34/93/942343493.db2.gz ZTNRNQKTGHRBSE-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP CCc1ccc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)cc1C ZINC000421095563 942343496 /nfs/dbraw/zinc/34/34/96/942343496.db2.gz ZTNRNQKTGHRBSE-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502318398 942351224 /nfs/dbraw/zinc/35/12/24/942351224.db2.gz OSLMHZDTTJDQRK-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502318398 942351230 /nfs/dbraw/zinc/35/12/30/942351230.db2.gz OSLMHZDTTJDQRK-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP c1cn(-c2ccc(C[NH+]3CCC(N4CCc5ccccc54)CC3)cc2)c[nH+]1 ZINC000502309286 942358407 /nfs/dbraw/zinc/35/84/07/942358407.db2.gz LGYBVAXOIZEWFP-UHFFFAOYSA-N 2 2 358.489 3.899 20 0 FHADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414818830 942407849 /nfs/dbraw/zinc/40/78/49/942407849.db2.gz WTFMAOJXTSJKNY-KRWDZBQOSA-N 2 2 354.420 3.557 20 0 FHADLP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414821883 942435036 /nfs/dbraw/zinc/43/50/36/942435036.db2.gz CUOSDIAAIABJQR-OAQYLSRUSA-N 2 2 364.493 3.998 20 0 FHADLP c1ccc([C@H]2CCc3nc(C[NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)sc3C2)cc1 ZINC000414823781 942435592 /nfs/dbraw/zinc/43/55/92/942435592.db2.gz DTYPRLMSSPTVGF-XNHLSEOASA-N 2 2 353.535 3.788 20 0 FHADLP c1cncc([C@H]2CCC[C@@H]([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000501377387 942442173 /nfs/dbraw/zinc/44/21/73/942442173.db2.gz KWRWFLLRHVFKDA-JTHBVZDNSA-N 2 2 365.521 3.730 20 0 FHADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502456196 942458396 /nfs/dbraw/zinc/45/83/96/942458396.db2.gz YLMCEHBYAZCRDG-HLAWJBBLSA-N 2 2 360.542 3.681 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cn3ccnc3s2)c(C)c1 ZINC000893184324 942463102 /nfs/dbraw/zinc/46/31/02/942463102.db2.gz XADDUGCLFHEPFX-SFHVURJKSA-N 2 2 351.479 3.740 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000420391893 942652941 /nfs/dbraw/zinc/65/29/41/942652941.db2.gz BEYQEOKJFADAEY-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000420391893 942652943 /nfs/dbraw/zinc/65/29/43/942652943.db2.gz BEYQEOKJFADAEY-TZMCWYRMSA-N 2 2 364.287 3.521 20 0 FHADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901777 942656767 /nfs/dbraw/zinc/65/67/67/942656767.db2.gz VJXFKQJUBWEGBF-FCEUIQTBSA-N 2 2 363.505 3.830 20 0 FHADLP O=C(Nc1ccccc1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901777 942656770 /nfs/dbraw/zinc/65/67/70/942656770.db2.gz VJXFKQJUBWEGBF-FCEUIQTBSA-N 2 2 363.505 3.830 20 0 FHADLP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414846666 942714783 /nfs/dbraw/zinc/71/47/83/942714783.db2.gz NTTZIMKRYKGTSK-KKSFZXQISA-N 2 2 370.493 3.540 20 0 FHADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000182742873 942782040 /nfs/dbraw/zinc/78/20/40/942782040.db2.gz BCFYJDMBXSEOSO-UHFFFAOYSA-N 2 2 366.937 3.508 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn3ccsc3n2)cc1F ZINC000378463107 942787512 /nfs/dbraw/zinc/78/75/12/942787512.db2.gz OZNDLRFRHNRYHZ-GFCCVEGCSA-N 2 2 355.442 3.880 20 0 FHADLP COc1cc(Cl)ccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000421829544 942837003 /nfs/dbraw/zinc/83/70/03/942837003.db2.gz IJZGCVQFUCZFNK-CABCVRRESA-N 2 2 352.906 3.500 20 0 FHADLP C[N@H+](CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000425147843 942874332 /nfs/dbraw/zinc/87/43/32/942874332.db2.gz RTLXZROYYWFPLX-FQEVSTJZSA-N 2 2 368.525 3.703 20 0 FHADLP C[N@@H+](CCCNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)C1CCCCC1 ZINC000425147843 942874335 /nfs/dbraw/zinc/87/43/35/942874335.db2.gz RTLXZROYYWFPLX-FQEVSTJZSA-N 2 2 368.525 3.703 20 0 FHADLP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCCCCC[NH+]1CCCCC1 ZINC000425177867 942934647 /nfs/dbraw/zinc/93/46/47/942934647.db2.gz QMSDPIHXGUUDSW-HXUWFJFHSA-N 2 2 368.525 3.704 20 0 FHADLP Fc1ccc2oc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)nc2c1 ZINC000434743973 942935275 /nfs/dbraw/zinc/93/52/75/942935275.db2.gz CADSVIYSPMYUGO-UHFFFAOYSA-N 2 2 354.429 3.879 20 0 FHADLP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434746440 942937635 /nfs/dbraw/zinc/93/76/35/942937635.db2.gz IZQBWEYRAASQKV-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434746440 942937639 /nfs/dbraw/zinc/93/76/39/942937639.db2.gz IZQBWEYRAASQKV-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[NH+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434746440 942937643 /nfs/dbraw/zinc/93/76/43/942937643.db2.gz IZQBWEYRAASQKV-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP C[NH+](CCOc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434746440 942937646 /nfs/dbraw/zinc/93/76/46/942937646.db2.gz IZQBWEYRAASQKV-PXNSSMCTSA-N 2 2 359.901 3.739 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503061380 942944554 /nfs/dbraw/zinc/94/45/54/942944554.db2.gz GAWNZELBALZWFF-CTNGQTDRSA-N 2 2 368.525 3.513 20 0 FHADLP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000503061380 942944559 /nfs/dbraw/zinc/94/45/59/942944559.db2.gz GAWNZELBALZWFF-CTNGQTDRSA-N 2 2 368.525 3.513 20 0 FHADLP C[C@@H](CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)n1cc[nH+]c1 ZINC000582066393 943014688 /nfs/dbraw/zinc/01/46/88/943014688.db2.gz BKKVEUIXMRYFJA-SFHVURJKSA-N 2 2 354.498 3.527 20 0 FHADLP Cc1cc(CNC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc(C)[nH+]1 ZINC000422215813 943058287 /nfs/dbraw/zinc/05/82/87/943058287.db2.gz URUNNAAOQDZKCZ-IBGZPJMESA-N 2 2 372.557 3.885 20 0 FHADLP Cc1cc(CNC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc(C)[nH+]1 ZINC000422215813 943058298 /nfs/dbraw/zinc/05/82/98/943058298.db2.gz URUNNAAOQDZKCZ-IBGZPJMESA-N 2 2 372.557 3.885 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434981719 943074257 /nfs/dbraw/zinc/07/42/57/943074257.db2.gz LVHDLCGRYFTQTR-LBPRGKRZSA-N 2 2 366.387 3.635 20 0 FHADLP CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000435004273 943095136 /nfs/dbraw/zinc/09/51/36/943095136.db2.gz RAVQZYAIZNKRAC-VQIMIIECSA-N 2 2 354.498 3.635 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000298582467 943117610 /nfs/dbraw/zinc/11/76/10/943117610.db2.gz XUOOCNYFWLDSIZ-LJQANCHMSA-N 2 2 353.445 3.719 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000298582467 943117615 /nfs/dbraw/zinc/11/76/15/943117615.db2.gz XUOOCNYFWLDSIZ-LJQANCHMSA-N 2 2 353.445 3.719 20 0 FHADLP COc1cccc(COc2cccc(Cl)c2C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000414658734 943125251 /nfs/dbraw/zinc/12/52/51/943125251.db2.gz RKUYEFDOFCNGIW-INIZCTEOSA-N 2 2 360.885 3.708 20 0 FHADLP COc1cccc(COc2cccc(Cl)c2C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000414658734 943125253 /nfs/dbraw/zinc/12/52/53/943125253.db2.gz RKUYEFDOFCNGIW-INIZCTEOSA-N 2 2 360.885 3.708 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000503436980 943184045 /nfs/dbraw/zinc/18/40/45/943184045.db2.gz DVXPEPGGSGXDJF-IBGZPJMESA-N 2 2 351.494 3.576 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n2c1CCCC2 ZINC000503436980 943184050 /nfs/dbraw/zinc/18/40/50/943184050.db2.gz DVXPEPGGSGXDJF-IBGZPJMESA-N 2 2 351.494 3.576 20 0 FHADLP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438667 943185051 /nfs/dbraw/zinc/18/50/51/943185051.db2.gz SKDBFJMSBDYDMA-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503438667 943185053 /nfs/dbraw/zinc/18/50/53/943185053.db2.gz SKDBFJMSBDYDMA-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000503559227 943260440 /nfs/dbraw/zinc/26/04/40/943260440.db2.gz DFDPPWQXEVCXBE-UNMCSNQZSA-N 2 2 353.510 3.777 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000503559227 943260446 /nfs/dbraw/zinc/26/04/46/943260446.db2.gz DFDPPWQXEVCXBE-UNMCSNQZSA-N 2 2 353.510 3.777 20 0 FHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000503559227 943260453 /nfs/dbraw/zinc/26/04/53/943260453.db2.gz DFDPPWQXEVCXBE-UNMCSNQZSA-N 2 2 353.510 3.777 20 0 FHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000503559227 943260458 /nfs/dbraw/zinc/26/04/58/943260458.db2.gz DFDPPWQXEVCXBE-UNMCSNQZSA-N 2 2 353.510 3.777 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000503559541 943260628 /nfs/dbraw/zinc/26/06/28/943260628.db2.gz IUARBTKRLAYSDE-SIKLNZKXSA-N 2 2 370.541 3.506 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000503559541 943260632 /nfs/dbraw/zinc/26/06/32/943260632.db2.gz IUARBTKRLAYSDE-SIKLNZKXSA-N 2 2 370.541 3.506 20 0 FHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000503559541 943260636 /nfs/dbraw/zinc/26/06/36/943260636.db2.gz IUARBTKRLAYSDE-SIKLNZKXSA-N 2 2 370.541 3.506 20 0 FHADLP CCc1cc(OC)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000503559541 943260639 /nfs/dbraw/zinc/26/06/39/943260639.db2.gz IUARBTKRLAYSDE-SIKLNZKXSA-N 2 2 370.541 3.506 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764318 943284820 /nfs/dbraw/zinc/28/48/20/943284820.db2.gz PWNHAOKXVUMNDT-DNUAJFIVSA-N 3 2 357.464 3.804 20 0 FHADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000422764318 943284822 /nfs/dbraw/zinc/28/48/22/943284822.db2.gz PWNHAOKXVUMNDT-DNUAJFIVSA-N 3 2 357.464 3.804 20 0 FHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cc2)cs1 ZINC000422810482 943291868 /nfs/dbraw/zinc/29/18/68/943291868.db2.gz UJGGDEVCQTUSGQ-QTJFZDIUSA-N 2 2 357.523 3.536 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2cccc3cccnc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422820576 943295609 /nfs/dbraw/zinc/29/56/09/943295609.db2.gz RIHUQCGZKKXRND-FYYLOGMGSA-N 2 2 361.489 3.869 20 0 FHADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422878314 943313516 /nfs/dbraw/zinc/31/35/16/943313516.db2.gz SQPOYNXFQODYON-YUXAGFNASA-N 2 2 368.521 3.601 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422880937 943315508 /nfs/dbraw/zinc/31/55/08/943315508.db2.gz XXDWMHAQCSKOHP-BHVFFLMSSA-N 2 2 368.521 3.633 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000422874677 943323360 /nfs/dbraw/zinc/32/33/60/943323360.db2.gz OCWNRWPAYJCZEY-UAOJZALGSA-N 2 2 362.876 3.925 20 0 FHADLP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)N1CCc2sccc2C1 ZINC000422912721 943329085 /nfs/dbraw/zinc/32/90/85/943329085.db2.gz WYTYCCMVWNQHJI-CEXWTWQISA-N 2 2 369.534 3.536 20 0 FHADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966521 943343643 /nfs/dbraw/zinc/34/36/43/943343643.db2.gz AKQWOYYYXYPUJM-GCJKJVERSA-N 2 2 361.489 3.709 20 0 FHADLP COc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccccn1 ZINC000423016971 943365972 /nfs/dbraw/zinc/36/59/72/943365972.db2.gz VETPTTYMFKEJRW-OPAMFIHVSA-N 2 2 362.477 3.693 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022899 943369425 /nfs/dbraw/zinc/36/94/25/943369425.db2.gz IMYLTRKAPRGFRW-LLBUTXAOSA-N 2 2 353.913 3.592 20 0 FHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069346 943380832 /nfs/dbraw/zinc/38/08/32/943380832.db2.gz AUJMPGMNLFFIMA-WFXMLNOXSA-N 2 2 354.494 3.683 20 0 FHADLP Fc1cc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423088356 943389327 /nfs/dbraw/zinc/38/93/27/943389327.db2.gz RRNDJMIMPNIGKK-BEFAXECRSA-N 2 2 366.358 3.589 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435447281 943423034 /nfs/dbraw/zinc/42/30/34/943423034.db2.gz ONKQMXJCPWGRAS-GOSISDBHSA-N 2 2 359.539 3.850 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(C)C)c1)C[C@@H]1CC[NH2+]C1 ZINC000435447281 943423035 /nfs/dbraw/zinc/42/30/35/943423035.db2.gz ONKQMXJCPWGRAS-GOSISDBHSA-N 2 2 359.539 3.850 20 0 FHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(Br)cc1F ZINC000423193364 943436923 /nfs/dbraw/zinc/43/69/23/943436923.db2.gz XGZOGTDXDNGHIU-CYBMUJFWSA-N 2 2 366.278 3.814 20 0 FHADLP CC(=O)NCCc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000423239367 943444989 /nfs/dbraw/zinc/44/49/89/943444989.db2.gz JXMBBQCCQDGYQF-GAJHUEQPSA-N 2 2 367.537 3.839 20 0 FHADLP Cc1ccc(OC(F)F)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423230591 943451940 /nfs/dbraw/zinc/45/19/40/943451940.db2.gz JOVSCIXZDIMOIT-AWEZNQCLSA-N 2 2 362.424 3.574 20 0 FHADLP CCC[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423308863 943471899 /nfs/dbraw/zinc/47/18/99/943471899.db2.gz KEOYCJFWHXONQB-LLVKDONJSA-N 2 2 365.827 3.665 20 0 FHADLP CCC[NH2+]CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423295460 943475401 /nfs/dbraw/zinc/47/54/01/943475401.db2.gz AMMNVIXGHBCIIS-QGZVFWFLSA-N 2 2 355.320 3.506 20 0 FHADLP C[C@H]([NH2+]C1(C[NH2+]CCC(=O)Nc2cccnc2)CCCC1)c1ccccc1 ZINC000584716987 943476152 /nfs/dbraw/zinc/47/61/52/943476152.db2.gz QIAOJLATWULODG-SFHVURJKSA-N 2 2 366.509 3.663 20 0 FHADLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423329474 943481372 /nfs/dbraw/zinc/48/13/72/943481372.db2.gz SVZFEEWRLMOMIS-HWPZZCPQSA-N 2 2 353.297 3.875 20 0 FHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423335434 943483515 /nfs/dbraw/zinc/48/35/15/943483515.db2.gz SXVVCCFERHHJHV-ZJUUUORDSA-N 2 2 354.317 3.879 20 0 FHADLP COC[C@]1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CCC[NH2+]1 ZINC000423415992 943511432 /nfs/dbraw/zinc/51/14/32/943511432.db2.gz FKGLWBSLYWQQEG-OXJNMPFZSA-N 2 2 357.523 3.546 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CCC[NH2+]1 ZINC000423415994 943511553 /nfs/dbraw/zinc/51/15/53/943511553.db2.gz FKGLWBSLYWQQEG-UZLBHIALSA-N 2 2 357.523 3.546 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435623354 943525679 /nfs/dbraw/zinc/52/56/79/943525679.db2.gz CHXSWGPAUIILRH-NRFANRHFSA-N 2 2 365.521 3.680 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435623354 943525685 /nfs/dbraw/zinc/52/56/85/943525685.db2.gz CHXSWGPAUIILRH-NRFANRHFSA-N 2 2 365.521 3.680 20 0 FHADLP CC[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435630267 943529100 /nfs/dbraw/zinc/52/91/00/943529100.db2.gz ZXCVPGYEYKFROQ-OAHLLOKOSA-N 2 2 368.403 3.719 20 0 FHADLP CC[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435630267 943529106 /nfs/dbraw/zinc/52/91/06/943529106.db2.gz ZXCVPGYEYKFROQ-OAHLLOKOSA-N 2 2 368.403 3.719 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423505553 943531733 /nfs/dbraw/zinc/53/17/33/943531733.db2.gz OLWYAPAPIKKEIL-AUUYWEPGSA-N 2 2 351.494 3.829 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCC3)cc1 ZINC000423552397 943555986 /nfs/dbraw/zinc/55/59/86/943555986.db2.gz JVMVRTVKOQBFHI-DOTOQJQBSA-N 2 2 357.523 3.928 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000516933356 943842449 /nfs/dbraw/zinc/84/24/49/943842449.db2.gz DBHQTMCWYSOSOI-LIRRHRJNSA-N 2 2 354.479 3.599 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000516933356 943842454 /nfs/dbraw/zinc/84/24/54/943842454.db2.gz DBHQTMCWYSOSOI-LIRRHRJNSA-N 2 2 354.479 3.599 20 0 FHADLP C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000437477165 943846993 /nfs/dbraw/zinc/84/69/93/943846993.db2.gz GCOQFWPHKNMFLB-IBGZPJMESA-N 2 2 374.488 3.609 20 0 FHADLP C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC[N@H+]1Cc1ccccc1 ZINC000437477165 943847003 /nfs/dbraw/zinc/84/70/03/943847003.db2.gz GCOQFWPHKNMFLB-IBGZPJMESA-N 2 2 374.488 3.609 20 0 FHADLP CCC(CC)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000424329994 943847491 /nfs/dbraw/zinc/84/74/91/943847491.db2.gz RHRUAOKYAOEPFW-UHFFFAOYSA-N 2 2 361.530 3.788 20 0 FHADLP CCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000516973676 943873683 /nfs/dbraw/zinc/87/36/83/943873683.db2.gz ICHDEOYKFSHGLN-KRWDZBQOSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)n1 ZINC000516973676 943873685 /nfs/dbraw/zinc/87/36/85/943873685.db2.gz ICHDEOYKFSHGLN-KRWDZBQOSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)n1 ZINC000516973676 943873687 /nfs/dbraw/zinc/87/36/87/943873687.db2.gz ICHDEOYKFSHGLN-KRWDZBQOSA-N 2 2 359.539 3.804 20 0 FHADLP CCOc1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000516973676 943873689 /nfs/dbraw/zinc/87/36/89/943873689.db2.gz ICHDEOYKFSHGLN-KRWDZBQOSA-N 2 2 359.539 3.804 20 0 FHADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC12CCOCC2 ZINC000414787176 943901732 /nfs/dbraw/zinc/90/17/32/943901732.db2.gz VGIYMGAVZHJLDC-AWEZNQCLSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC12CCOCC2 ZINC000414787176 943901736 /nfs/dbraw/zinc/90/17/36/943901736.db2.gz VGIYMGAVZHJLDC-AWEZNQCLSA-N 2 2 362.823 3.546 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)sc3c2)cc1 ZINC000414876198 943915289 /nfs/dbraw/zinc/91/52/89/943915289.db2.gz CXUHNLFGPJLAOX-ICSRJNTNSA-N 2 2 367.518 3.849 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660304502 943935654 /nfs/dbraw/zinc/93/56/54/943935654.db2.gz FGUIHQMGYBMSGS-WBVHZDCISA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660304502 943935658 /nfs/dbraw/zinc/93/56/58/943935658.db2.gz FGUIHQMGYBMSGS-WBVHZDCISA-N 2 2 354.922 3.575 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068576 944052001 /nfs/dbraw/zinc/05/20/01/944052001.db2.gz MLOWUSZYKSHFIG-LJQANCHMSA-N 2 2 358.526 3.950 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068576 944052009 /nfs/dbraw/zinc/05/20/09/944052009.db2.gz MLOWUSZYKSHFIG-LJQANCHMSA-N 2 2 358.526 3.950 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC000418089426 944142264 /nfs/dbraw/zinc/14/22/64/944142264.db2.gz CHGJQVKEURCNMH-HNNXBMFYSA-N 2 2 351.466 3.690 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)s1 ZINC000418089426 944142271 /nfs/dbraw/zinc/14/22/71/944142271.db2.gz CHGJQVKEURCNMH-HNNXBMFYSA-N 2 2 351.466 3.690 20 0 FHADLP CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001270284357 944212533 /nfs/dbraw/zinc/21/25/33/944212533.db2.gz DFRKVYKRTZYUCW-YESZJQIVSA-N 2 2 354.498 3.678 20 0 FHADLP CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001270284357 944212539 /nfs/dbraw/zinc/21/25/39/944212539.db2.gz DFRKVYKRTZYUCW-YESZJQIVSA-N 2 2 354.498 3.678 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3ccncc3)c2)cc1 ZINC000414882683 944222541 /nfs/dbraw/zinc/22/25/41/944222541.db2.gz MJZUAWQQBKRCMV-RPWUZVMVSA-N 2 2 373.500 3.993 20 0 FHADLP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437963845 944242578 /nfs/dbraw/zinc/24/25/78/944242578.db2.gz NIZGCJBOYGHQPW-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437963845 944242586 /nfs/dbraw/zinc/24/25/86/944242586.db2.gz NIZGCJBOYGHQPW-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000437963845 944242588 /nfs/dbraw/zinc/24/25/88/944242588.db2.gz NIZGCJBOYGHQPW-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[NH+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000437963845 944242595 /nfs/dbraw/zinc/24/25/95/944242595.db2.gz NIZGCJBOYGHQPW-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000364287683 944242932 /nfs/dbraw/zinc/24/29/32/944242932.db2.gz BPAKXMJDKGJTDA-IHRRRGAJSA-N 2 2 353.304 3.735 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000364287683 944242939 /nfs/dbraw/zinc/24/29/39/944242939.db2.gz BPAKXMJDKGJTDA-IHRRRGAJSA-N 2 2 353.304 3.735 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000414884393 944287912 /nfs/dbraw/zinc/28/79/12/944287912.db2.gz NYTIASREKGNLPN-RPWUZVMVSA-N 2 2 373.500 3.993 20 0 FHADLP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000518348953 944289762 /nfs/dbraw/zinc/28/97/62/944289762.db2.gz IPSNYQJIYIUNQE-UHFFFAOYSA-N 3 2 352.526 3.916 20 0 FHADLP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000518348953 944289769 /nfs/dbraw/zinc/28/97/69/944289769.db2.gz IPSNYQJIYIUNQE-UHFFFAOYSA-N 3 2 352.526 3.916 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473327 944295106 /nfs/dbraw/zinc/29/51/06/944295106.db2.gz XZMKPAUGGFPTAJ-SJBKTWHCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473327 944295110 /nfs/dbraw/zinc/29/51/10/944295110.db2.gz XZMKPAUGGFPTAJ-SJBKTWHCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473327 944295116 /nfs/dbraw/zinc/29/51/16/944295116.db2.gz XZMKPAUGGFPTAJ-SJBKTWHCSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473327 944295122 /nfs/dbraw/zinc/29/51/22/944295122.db2.gz XZMKPAUGGFPTAJ-SJBKTWHCSA-N 2 2 371.569 3.620 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553457 944323604 /nfs/dbraw/zinc/32/36/04/944323604.db2.gz MFRLSXMKBWMQGT-NRFANRHFSA-N 2 2 351.494 3.962 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553457 944323611 /nfs/dbraw/zinc/32/36/11/944323611.db2.gz MFRLSXMKBWMQGT-NRFANRHFSA-N 2 2 351.494 3.962 20 0 FHADLP Cc1nnc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000664835779 944344235 /nfs/dbraw/zinc/34/42/35/944344235.db2.gz HFMUDLQYRKSDHI-FQEVSTJZSA-N 2 2 370.566 3.969 20 0 FHADLP Cc1nnc(C[N@H+]2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000664835779 944344241 /nfs/dbraw/zinc/34/42/41/944344241.db2.gz HFMUDLQYRKSDHI-FQEVSTJZSA-N 2 2 370.566 3.969 20 0 FHADLP CC(C)Oc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425949859 944362410 /nfs/dbraw/zinc/36/24/10/944362410.db2.gz JPQTYXUFSFAQTP-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425949859 944362417 /nfs/dbraw/zinc/36/24/17/944362417.db2.gz JPQTYXUFSFAQTP-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425949859 944362425 /nfs/dbraw/zinc/36/24/25/944362425.db2.gz JPQTYXUFSFAQTP-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425949859 944362432 /nfs/dbraw/zinc/36/24/32/944362432.db2.gz JPQTYXUFSFAQTP-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP Clc1ccc(Br)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414886272 944368605 /nfs/dbraw/zinc/36/86/05/944368605.db2.gz WCBSJSVTDZAEQD-UHFFFAOYSA-N 2 2 368.706 3.767 20 0 FHADLP COC(=O)C1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000425953875 944385674 /nfs/dbraw/zinc/38/56/74/944385674.db2.gz LXBMMMXVKTZJPP-XVAXZDLZSA-N 2 2 358.526 3.781 20 0 FHADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426312821 944439638 /nfs/dbraw/zinc/43/96/38/944439638.db2.gz KQKWKWUTZKGPRD-AEFFLSMTSA-N 2 2 350.441 3.941 20 0 FHADLP O[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccc(Cl)c(F)c1 ZINC000759869254 944648854 /nfs/dbraw/zinc/64/88/54/944648854.db2.gz SBXUUWLTRPTEIZ-IBGZPJMESA-N 2 2 365.880 3.901 20 0 FHADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000414945528 944976183 /nfs/dbraw/zinc/97/61/83/944976183.db2.gz RUHDEPJTXNRLFS-LAUBAEHRSA-N 2 2 353.510 3.610 20 0 FHADLP C[C@H]1CCCC[C@@H]1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004066 945005542 /nfs/dbraw/zinc/00/55/42/945005542.db2.gz DDNILTBENQOTOB-UGKGYDQZSA-N 2 2 359.558 3.616 20 0 FHADLP C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004066 945005553 /nfs/dbraw/zinc/00/55/53/945005553.db2.gz DDNILTBENQOTOB-UGKGYDQZSA-N 2 2 359.558 3.616 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414953642 945038180 /nfs/dbraw/zinc/03/81/80/945038180.db2.gz JTWLUOREXVAEJR-GHMZBOCLSA-N 2 2 365.827 3.664 20 0 FHADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167037 945058457 /nfs/dbraw/zinc/05/84/57/945058457.db2.gz INLBLHJNTJSXJN-KVLZDYKBSA-N 2 2 354.523 3.538 20 0 FHADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C/C=C\c1ccncc1)CC2 ZINC000426167037 945058466 /nfs/dbraw/zinc/05/84/66/945058466.db2.gz INLBLHJNTJSXJN-KVLZDYKBSA-N 2 2 354.523 3.538 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000651668790 945585873 /nfs/dbraw/zinc/58/58/73/945585873.db2.gz ZNFMITUQXLHRAO-UHFFFAOYSA-N 2 2 358.457 3.597 20 0 FHADLP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000519542971 945687354 /nfs/dbraw/zinc/68/73/54/945687354.db2.gz SDXJHYREFGMYQN-IBGZPJMESA-N 2 2 365.477 3.525 20 0 FHADLP c1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167969415 945690939 /nfs/dbraw/zinc/69/09/39/945690939.db2.gz BYYXHPDKENVZHE-CWAQXLGLSA-N 3 2 367.581 3.689 20 0 FHADLP c1ccc(CC[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167969415 945690946 /nfs/dbraw/zinc/69/09/46/945690946.db2.gz BYYXHPDKENVZHE-CWAQXLGLSA-N 3 2 367.581 3.689 20 0 FHADLP FC(F)(F)c1ncc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000443987285 945691792 /nfs/dbraw/zinc/69/17/92/945691792.db2.gz MERPCBFOYQEFSD-UHFFFAOYSA-N 2 2 352.385 3.697 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000440614179 945709680 /nfs/dbraw/zinc/70/96/80/945709680.db2.gz MRMRKSZSFJIETF-HIFRSBDPSA-N 2 2 352.404 3.571 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000440614179 945709687 /nfs/dbraw/zinc/70/96/87/945709687.db2.gz MRMRKSZSFJIETF-HIFRSBDPSA-N 2 2 352.404 3.571 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000440614175 945710441 /nfs/dbraw/zinc/71/04/41/945710441.db2.gz MRMRKSZSFJIETF-DZGCQCFKSA-N 2 2 352.404 3.571 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000440614175 945710447 /nfs/dbraw/zinc/71/04/47/945710447.db2.gz MRMRKSZSFJIETF-DZGCQCFKSA-N 2 2 352.404 3.571 20 0 FHADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651733532 945802268 /nfs/dbraw/zinc/80/22/68/945802268.db2.gz KURIHCZJODWZTM-RCCFBDPRSA-N 2 2 366.908 3.824 20 0 FHADLP Cc1cc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C(C)C)[nH+]1 ZINC000301545321 945840115 /nfs/dbraw/zinc/84/01/15/945840115.db2.gz KYLBKUNISSZJQS-HDICACEKSA-N 2 2 360.546 3.624 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000301566348 945851368 /nfs/dbraw/zinc/85/13/68/945851368.db2.gz WHUMMHVMIFKGBR-QUCCMNQESA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000301566348 945851382 /nfs/dbraw/zinc/85/13/82/945851382.db2.gz WHUMMHVMIFKGBR-QUCCMNQESA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301566348 945851390 /nfs/dbraw/zinc/85/13/90/945851390.db2.gz WHUMMHVMIFKGBR-QUCCMNQESA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H]1C[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301566348 945851404 /nfs/dbraw/zinc/85/14/04/945851404.db2.gz WHUMMHVMIFKGBR-QUCCMNQESA-N 2 2 365.525 3.932 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263463 945916571 /nfs/dbraw/zinc/91/65/71/945916571.db2.gz JTJOTNNGZRKLBE-SQMWVJLWSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@H]2C[N@@H+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263463 945916574 /nfs/dbraw/zinc/91/65/74/945916574.db2.gz JTJOTNNGZRKLBE-SQMWVJLWSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263463 945916580 /nfs/dbraw/zinc/91/65/80/945916580.db2.gz JTJOTNNGZRKLBE-SQMWVJLWSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@@H+]2C[C@@H]3CC[C@H]2[C@H]2C[NH+](Cc4ccccc4)C[C@@H]23)onc1C1CC1 ZINC000661263463 945916583 /nfs/dbraw/zinc/91/65/83/945916583.db2.gz JTJOTNNGZRKLBE-SQMWVJLWSA-N 2 2 363.505 3.894 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301707580 945926055 /nfs/dbraw/zinc/92/60/55/945926055.db2.gz JBIHKGZIUWVUEG-JXFKEZNVSA-N 2 2 367.493 3.640 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301707580 945926064 /nfs/dbraw/zinc/92/60/64/945926064.db2.gz JBIHKGZIUWVUEG-JXFKEZNVSA-N 2 2 367.493 3.640 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440823788 945957152 /nfs/dbraw/zinc/95/71/52/945957152.db2.gz NJBNCZACLFQLER-CYBMUJFWSA-N 2 2 352.404 3.744 20 0 FHADLP C[C@H]([C@H](C)Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[NH+]1CCOCC1 ZINC000301802764 945973738 /nfs/dbraw/zinc/97/37/38/945973738.db2.gz UCNJWDOGNBCLNP-QWHCGFSZSA-N 2 2 353.388 3.775 20 0 FHADLP Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904513 946030741 /nfs/dbraw/zinc/03/07/41/946030741.db2.gz PQVGGXPOKBVESN-NQIIRXRSSA-N 2 2 373.504 3.703 20 0 FHADLP Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904513 946030752 /nfs/dbraw/zinc/03/07/52/946030752.db2.gz PQVGGXPOKBVESN-NQIIRXRSSA-N 2 2 373.504 3.703 20 0 FHADLP Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904515 946031260 /nfs/dbraw/zinc/03/12/60/946031260.db2.gz PQVGGXPOKBVESN-WIYYLYMNSA-N 2 2 373.504 3.703 20 0 FHADLP Nc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904515 946031270 /nfs/dbraw/zinc/03/12/70/946031270.db2.gz PQVGGXPOKBVESN-WIYYLYMNSA-N 2 2 373.504 3.703 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209159 946070015 /nfs/dbraw/zinc/07/00/15/946070015.db2.gz BOMNZGXHNKQSNG-RBBKRZOGSA-N 2 2 371.569 3.620 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444209159 946070018 /nfs/dbraw/zinc/07/00/18/946070018.db2.gz BOMNZGXHNKQSNG-RBBKRZOGSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H]1CC(N2CC[NH+](Cc3ccco3)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168052645 946136938 /nfs/dbraw/zinc/13/69/38/946136938.db2.gz LMACGMUUHFLCEV-PMACEKPBSA-N 2 2 367.537 3.839 20 0 FHADLP CCCC[C@@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)Cn3cc[nH+]c3)(C1)CCC2 ZINC001271682460 946251074 /nfs/dbraw/zinc/25/10/74/946251074.db2.gz DHAZWNUOXYXPFZ-HLAWJBBLSA-N 2 2 360.546 3.651 20 0 FHADLP C/C(=C\c1ccccc1)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000520221082 946285644 /nfs/dbraw/zinc/28/56/44/946285644.db2.gz LUMJRGKBGFAAJD-LVZFUZTISA-N 2 2 366.505 3.591 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262571 946333581 /nfs/dbraw/zinc/33/35/81/946333581.db2.gz LXANLKPTIAQKKH-LAUBAEHRSA-N 2 2 364.493 3.505 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262571 946333590 /nfs/dbraw/zinc/33/35/90/946333590.db2.gz LXANLKPTIAQKKH-LAUBAEHRSA-N 2 2 364.493 3.505 20 0 FHADLP CC[NH+]1CCN(c2cccc(NCc3cc(-n4cc[nH+]c4)cs3)c2)CC1 ZINC000475085749 946351244 /nfs/dbraw/zinc/35/12/44/946351244.db2.gz GFTHUBXSISMOOV-UHFFFAOYSA-N 2 2 367.522 3.688 20 0 FHADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cn1 ZINC000475488890 946418312 /nfs/dbraw/zinc/41/83/12/946418312.db2.gz XVTUSVHGNIKAGS-LLVKDONJSA-N 2 2 363.284 3.942 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441365744 946514259 /nfs/dbraw/zinc/51/42/59/946514259.db2.gz QYJRIIBMWYQMMG-CTNGQTDRSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441365744 946514262 /nfs/dbraw/zinc/51/42/62/946514262.db2.gz QYJRIIBMWYQMMG-CTNGQTDRSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441365744 946514266 /nfs/dbraw/zinc/51/42/66/946514266.db2.gz QYJRIIBMWYQMMG-CTNGQTDRSA-N 2 2 359.558 3.618 20 0 FHADLP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441365744 946514270 /nfs/dbraw/zinc/51/42/70/946514270.db2.gz QYJRIIBMWYQMMG-CTNGQTDRSA-N 2 2 359.558 3.618 20 0 FHADLP COc1c(Br)cccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475561359 946661916 /nfs/dbraw/zinc/66/19/16/946661916.db2.gz YDNDJSGMYMFWRJ-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475580163 946734171 /nfs/dbraw/zinc/73/41/71/946734171.db2.gz JTCYUDMCRPRLNM-UHFFFAOYSA-N 2 2 366.553 3.963 20 0 FHADLP CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475334827 946901528 /nfs/dbraw/zinc/90/15/28/946901528.db2.gz VOARCLJDVVDZIR-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475334827 946901534 /nfs/dbraw/zinc/90/15/34/946901534.db2.gz VOARCLJDVVDZIR-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475334827 946901540 /nfs/dbraw/zinc/90/15/40/946901540.db2.gz VOARCLJDVVDZIR-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1OC ZINC000475334827 946901547 /nfs/dbraw/zinc/90/15/47/946901547.db2.gz VOARCLJDVVDZIR-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)CC1 ZINC000475333110 946916185 /nfs/dbraw/zinc/91/61/85/946916185.db2.gz SAXMNMZXYAAJEI-SCIHAYMKSA-N 2 2 374.491 3.977 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475359072 946943964 /nfs/dbraw/zinc/94/39/64/946943964.db2.gz UHXISRKXHLQKAT-OYRHEFFESA-N 2 2 366.553 3.819 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475359072 946943965 /nfs/dbraw/zinc/94/39/65/946943965.db2.gz UHXISRKXHLQKAT-OYRHEFFESA-N 2 2 366.553 3.819 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475359072 946943969 /nfs/dbraw/zinc/94/39/69/946943969.db2.gz UHXISRKXHLQKAT-OYRHEFFESA-N 2 2 366.553 3.819 20 0 FHADLP Cc1nn(C(C)(C)C)c(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475359072 946943976 /nfs/dbraw/zinc/94/39/76/946943976.db2.gz UHXISRKXHLQKAT-OYRHEFFESA-N 2 2 366.553 3.819 20 0 FHADLP CC(C)[N@@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCC1 ZINC000428369172 947012828 /nfs/dbraw/zinc/01/28/28/947012828.db2.gz HNTKZIPYTMBRNS-UHFFFAOYSA-N 2 2 364.559 3.576 20 0 FHADLP CC(C)[N@H+](CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)C1CCC1 ZINC000428369172 947012817 /nfs/dbraw/zinc/01/28/17/947012817.db2.gz HNTKZIPYTMBRNS-UHFFFAOYSA-N 2 2 364.559 3.576 20 0 FHADLP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715277 947091891 /nfs/dbraw/zinc/09/18/91/947091891.db2.gz IKLSVSGEHSJUNX-REWPJTCUSA-N 2 2 368.496 3.952 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929865 947108567 /nfs/dbraw/zinc/10/85/67/947108567.db2.gz NHKBFHBOFOSMBV-HSZRJFAPSA-N 3 2 363.549 3.763 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929865 947108574 /nfs/dbraw/zinc/10/85/74/947108574.db2.gz NHKBFHBOFOSMBV-HSZRJFAPSA-N 3 2 363.549 3.763 20 0 FHADLP Cc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)o1 ZINC000301091370 947171853 /nfs/dbraw/zinc/17/18/53/947171853.db2.gz RSAYLSOZUBRGLP-FQEVSTJZSA-N 2 2 351.450 3.930 20 0 FHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2[nH+]1 ZINC000523424733 947237173 /nfs/dbraw/zinc/23/71/73/947237173.db2.gz LWEZEAFESKVZIM-GASCZTMLSA-N 2 2 357.502 3.521 20 0 FHADLP Cc1cn2cc(NC(=O)NCC(C)(C)[N@H+]3C[C@H](C)C[C@H](C)C3)ccc2[nH+]1 ZINC000523424733 947237184 /nfs/dbraw/zinc/23/71/84/947237184.db2.gz LWEZEAFESKVZIM-GASCZTMLSA-N 2 2 357.502 3.521 20 0 FHADLP COc1cccc([C@@H](C)[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000301217086 947237631 /nfs/dbraw/zinc/23/76/31/947237631.db2.gz ZLXXOZZMIHMCET-QGZVFWFLSA-N 2 2 354.498 3.800 20 0 FHADLP Cc1ccc([C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCC2)o1 ZINC000301232622 947243073 /nfs/dbraw/zinc/24/30/73/947243073.db2.gz ILYXPVPEIOPWPD-QGZVFWFLSA-N 2 2 355.486 3.617 20 0 FHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000523419347 947249088 /nfs/dbraw/zinc/24/90/88/947249088.db2.gz AYPGMYOPAJQXKC-MRXNPFEDSA-N 2 2 357.502 3.665 20 0 FHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000523419347 947249101 /nfs/dbraw/zinc/24/91/01/947249101.db2.gz AYPGMYOPAJQXKC-MRXNPFEDSA-N 2 2 357.502 3.665 20 0 FHADLP c1coc([C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+]2CCCCC2)c1 ZINC000301256059 947254044 /nfs/dbraw/zinc/25/40/44/947254044.db2.gz RBSVGDHSUCKKGY-KRWDZBQOSA-N 2 2 355.486 3.699 20 0 FHADLP Cc1nc(NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c(C)[nH+]1 ZINC000301443134 947345257 /nfs/dbraw/zinc/34/52/57/947345257.db2.gz OAAAWZUSVHTHIO-HUUCEWRRSA-N 2 2 354.498 3.623 20 0 FHADLP c1coc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCCCC2)c1 ZINC000072670269 947632787 /nfs/dbraw/zinc/63/27/87/947632787.db2.gz WYWGMAXEFSPXLC-HXUWFJFHSA-N 2 2 350.466 3.782 20 0 FHADLP CC1(C)C[N@H+](CCNc2cc[nH+]c3cc(Br)ccc23)CCO1 ZINC000523874506 947684777 /nfs/dbraw/zinc/68/47/77/947684777.db2.gz NRZYRHVHRUOFAD-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP CC1(C)C[N@@H+](CCNc2cc[nH+]c3cc(Br)ccc23)CCO1 ZINC000523874506 947684785 /nfs/dbraw/zinc/68/47/85/947684785.db2.gz NRZYRHVHRUOFAD-UHFFFAOYSA-N 2 2 364.287 3.520 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000663344518 947811760 /nfs/dbraw/zinc/81/17/60/947811760.db2.gz VCEZPYQRTNVVDM-HNNXBMFYSA-N 2 2 367.331 3.669 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000663344518 947811765 /nfs/dbraw/zinc/81/17/65/947811765.db2.gz VCEZPYQRTNVVDM-HNNXBMFYSA-N 2 2 367.331 3.669 20 0 FHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000663359885 947847902 /nfs/dbraw/zinc/84/79/02/947847902.db2.gz KHZSMORRISNFHB-GOSISDBHSA-N 2 2 353.510 3.759 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824255 948106949 /nfs/dbraw/zinc/10/69/49/948106949.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001167824255 948106957 /nfs/dbraw/zinc/10/69/57/948106957.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001167824255 948106961 /nfs/dbraw/zinc/10/69/61/948106961.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 3 2 364.603 3.550 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001167824255 948106966 /nfs/dbraw/zinc/10/69/66/948106966.db2.gz GKDCVOFVVWGKDM-GBESFXJTSA-N 3 2 364.603 3.550 20 0 FHADLP CC(C)(C)n1cc(C[NH2+]CC23CC(C2)C[NH2+]3)c(-c2ccccc2Cl)n1 ZINC000663498549 948115135 /nfs/dbraw/zinc/11/51/35/948115135.db2.gz PWALPYWKXKDNEQ-UHFFFAOYSA-N 2 2 358.917 3.800 20 0 FHADLP Cc1cc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c2cccnc2)ccc1F ZINC000432408325 948352393 /nfs/dbraw/zinc/35/23/93/948352393.db2.gz BAALPQJKRWIBMQ-PGRDOPGGSA-N 2 2 371.500 3.709 20 0 FHADLP Cc1cc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2cccnc2)ccc1F ZINC000432408325 948352399 /nfs/dbraw/zinc/35/23/99/948352399.db2.gz BAALPQJKRWIBMQ-PGRDOPGGSA-N 2 2 371.500 3.709 20 0 FHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)oc21 ZINC000432415231 948363688 /nfs/dbraw/zinc/36/36/88/948363688.db2.gz VLCTYAYOJLFOQD-SJORKVTESA-N 2 2 360.498 3.983 20 0 FHADLP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)oc21 ZINC000432415231 948363695 /nfs/dbraw/zinc/36/36/95/948363695.db2.gz VLCTYAYOJLFOQD-SJORKVTESA-N 2 2 360.498 3.983 20 0 FHADLP CC(C)c1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665132893 948410474 /nfs/dbraw/zinc/41/04/74/948410474.db2.gz QZQDLFZUHWQVGZ-UHFFFAOYSA-N 2 2 362.562 3.938 20 0 FHADLP CC(C)c1cccc(C(C)C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665132893 948410480 /nfs/dbraw/zinc/41/04/80/948410480.db2.gz QZQDLFZUHWQVGZ-UHFFFAOYSA-N 2 2 362.562 3.938 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143022 948538965 /nfs/dbraw/zinc/53/89/65/948538965.db2.gz CMDIFHLXXDYZRJ-QGZVFWFLSA-N 3 2 372.582 3.726 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)C1 ZINC000512143022 948538972 /nfs/dbraw/zinc/53/89/72/948538972.db2.gz CMDIFHLXXDYZRJ-QGZVFWFLSA-N 3 2 372.582 3.726 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc([C@@H]3CCCO3)s2)c2cccc[nH+]2)CC1 ZINC000895110363 948641015 /nfs/dbraw/zinc/64/10/15/948641015.db2.gz JLSBZYNYTTWWKY-ZOBUZTSGSA-N 2 2 358.511 3.666 20 0 FHADLP Cc1ccc(-c2nn(C)cc2CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895111468 948673367 /nfs/dbraw/zinc/67/33/67/948673367.db2.gz GCYHPCDFSOYTLC-IYARVYRRSA-N 2 2 365.481 3.660 20 0 FHADLP [NH3+][C@@H](CCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1CCCCC1 ZINC000579587275 948678868 /nfs/dbraw/zinc/67/88/68/948678868.db2.gz ALQYRRUOMJCPCP-FQEVSTJZSA-N 2 2 373.541 3.535 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000536471146 948700238 /nfs/dbraw/zinc/70/02/38/948700238.db2.gz JOHMVRVLCFXDEA-MRXNPFEDSA-N 2 2 367.280 3.601 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000536471146 948700277 /nfs/dbraw/zinc/70/02/77/948700277.db2.gz JOHMVRVLCFXDEA-MRXNPFEDSA-N 2 2 367.280 3.601 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000536475132 948702377 /nfs/dbraw/zinc/70/23/77/948702377.db2.gz DGZNNZFPIBAPLF-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)ccn1 ZINC000536475132 948702378 /nfs/dbraw/zinc/70/23/78/948702378.db2.gz DGZNNZFPIBAPLF-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccn1 ZINC000536475132 948702383 /nfs/dbraw/zinc/70/23/83/948702383.db2.gz DGZNNZFPIBAPLF-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000536475132 948702386 /nfs/dbraw/zinc/70/23/86/948702386.db2.gz DGZNNZFPIBAPLF-QFIPXVFZSA-N 2 2 351.494 3.578 20 0 FHADLP CCO[P@@](C)(=O)CC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114246 948719923 /nfs/dbraw/zinc/71/99/23/948719923.db2.gz JMTPBIYHPHRGAW-FBPDVEOQSA-N 2 2 353.447 3.881 20 0 FHADLP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000602514279 567989642 /nfs/dbraw/zinc/98/96/42/567989642.db2.gz IULAANQOZUDPTM-INIZCTEOSA-N 2 2 371.481 3.516 20 0 FHADLP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)on1 ZINC000602514279 567989643 /nfs/dbraw/zinc/98/96/43/567989643.db2.gz IULAANQOZUDPTM-INIZCTEOSA-N 2 2 371.481 3.516 20 0 FHADLP COC(=O)c1csc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000602667981 568014345 /nfs/dbraw/zinc/01/43/45/568014345.db2.gz RXURGAMBTPXRDY-RTBURBONSA-N 2 2 367.474 3.750 20 0 FHADLP Cc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Oc1cc[nH+]cc1 ZINC000186996211 568046380 /nfs/dbraw/zinc/04/63/80/568046380.db2.gz XGROCJVROIHFMB-UHFFFAOYSA-N 2 2 353.466 3.739 20 0 FHADLP CC(C)c1noc([C@@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000603393352 568095189 /nfs/dbraw/zinc/09/51/89/568095189.db2.gz FESWEHCMAWEQCF-OAHLLOKOSA-N 2 2 351.454 3.624 20 0 FHADLP CCC[N@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)C1CC[NH2+]CC1 ZINC000563152604 568306865 /nfs/dbraw/zinc/30/68/65/568306865.db2.gz KLNNQLZCNWBEBA-UHFFFAOYSA-N 2 2 373.522 3.561 20 0 FHADLP CCC[N@@H+](Cc1csc(-c2cccc(C(=O)OC)c2)n1)C1CC[NH2+]CC1 ZINC000563152604 568306866 /nfs/dbraw/zinc/30/68/66/568306866.db2.gz KLNNQLZCNWBEBA-UHFFFAOYSA-N 2 2 373.522 3.561 20 0 FHADLP Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604601386 568323516 /nfs/dbraw/zinc/32/35/16/568323516.db2.gz HZTWRMLTKXMBTA-GOSISDBHSA-N 2 2 353.466 3.785 20 0 FHADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338933 /nfs/dbraw/zinc/33/89/33/568338933.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 3 2 361.961 3.938 20 0 FHADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[NH+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338934 /nfs/dbraw/zinc/33/89/34/568338934.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338935 /nfs/dbraw/zinc/33/89/35/568338935.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 3 2 361.961 3.938 20 0 FHADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C2 ZINC000365226328 568338936 /nfs/dbraw/zinc/33/89/36/568338936.db2.gz ZWGPUQVFNDFHRA-FWZVCBSNSA-N 3 2 361.961 3.938 20 0 FHADLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)c1cccc(OC)c1 ZINC000604756683 568364984 /nfs/dbraw/zinc/36/49/84/568364984.db2.gz RNAXPZIAWGIZAC-LJQANCHMSA-N 2 2 354.498 3.588 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365253188 568369302 /nfs/dbraw/zinc/36/93/02/568369302.db2.gz NMZNDEQHIJHDOA-SFHVURJKSA-N 2 2 366.465 3.966 20 0 FHADLP CCOC(=O)C1CC[NH+](C2CCN(c3ccc(C(C)(C)C)c[nH+]3)CC2)CC1 ZINC001164617998 719035152 /nfs/dbraw/zinc/03/51/52/719035152.db2.gz QOJHHXZHOQJGSW-UHFFFAOYSA-N 2 2 373.541 3.623 20 0 FHADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc(C4CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836811 720557714 /nfs/dbraw/zinc/55/77/14/720557714.db2.gz LFOUSPYWMAKYCK-PCCBWWKXSA-N 2 2 365.525 3.533 20 0 FHADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C4CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836811 720557718 /nfs/dbraw/zinc/55/77/18/720557718.db2.gz LFOUSPYWMAKYCK-PCCBWWKXSA-N 2 2 365.525 3.533 20 0 FHADLP Cc1c[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1C ZINC001164910618 721763158 /nfs/dbraw/zinc/76/31/58/721763158.db2.gz JKSJAAXYUVTYQN-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP Cc1c[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1C ZINC001164910618 721763161 /nfs/dbraw/zinc/76/31/61/721763161.db2.gz JKSJAAXYUVTYQN-UHFFFAOYSA-N 2 2 362.477 3.881 20 0 FHADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000161895941 936319116 /nfs/dbraw/zinc/31/91/16/936319116.db2.gz DIISKXNGDNIDDW-UHFFFAOYSA-N 2 2 350.466 3.769 20 0 FHADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccncc1 ZINC000161895941 936319121 /nfs/dbraw/zinc/31/91/21/936319121.db2.gz DIISKXNGDNIDDW-UHFFFAOYSA-N 2 2 350.466 3.769 20 0 FHADLP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657720399 936384672 /nfs/dbraw/zinc/38/46/72/936384672.db2.gz DJPSHFAMZRURDT-FQEVSTJZSA-N 2 2 364.537 3.974 20 0 FHADLP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657720399 936384677 /nfs/dbraw/zinc/38/46/77/936384677.db2.gz DJPSHFAMZRURDT-FQEVSTJZSA-N 2 2 364.537 3.974 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000437142518 945063220 /nfs/dbraw/zinc/06/32/20/945063220.db2.gz GSEHDRBBPWJHOQ-CTNGQTDRSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cn1 ZINC000437142518 945063230 /nfs/dbraw/zinc/06/32/30/945063230.db2.gz GSEHDRBBPWJHOQ-CTNGQTDRSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000437142518 945063243 /nfs/dbraw/zinc/06/32/43/945063243.db2.gz GSEHDRBBPWJHOQ-CTNGQTDRSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cn1 ZINC000437142518 945063252 /nfs/dbraw/zinc/06/32/52/945063252.db2.gz GSEHDRBBPWJHOQ-CTNGQTDRSA-N 2 2 350.510 3.766 20 0 FHADLP COc1ccc2oc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2c1 ZINC000122982043 937109174 /nfs/dbraw/zinc/10/91/74/937109174.db2.gz JNIWSEMKGSHJCT-UHFFFAOYSA-N 2 2 366.461 3.563 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000579773960 927377075 /nfs/dbraw/zinc/37/70/75/927377075.db2.gz WQUXPBBMQHHBEL-KKSFZXQISA-N 2 2 364.493 3.670 20 0 FHADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(Cl)cn1 ZINC000274736712 927750894 /nfs/dbraw/zinc/75/08/94/927750894.db2.gz DJLJHGWMMAXNHV-AWEZNQCLSA-N 2 2 359.905 3.834 20 0 FHADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000655159937 928391433 /nfs/dbraw/zinc/39/14/33/928391433.db2.gz LZYZCNMGSIBSNF-MRXNPFEDSA-N 2 2 372.538 3.805 20 0 FHADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000655159937 928391443 /nfs/dbraw/zinc/39/14/43/928391443.db2.gz LZYZCNMGSIBSNF-MRXNPFEDSA-N 2 2 372.538 3.805 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841352 937270396 /nfs/dbraw/zinc/27/03/96/937270396.db2.gz PPCIZKDIDGYMLM-MRXNPFEDSA-N 2 2 356.466 3.527 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841352 937270401 /nfs/dbraw/zinc/27/04/01/937270401.db2.gz PPCIZKDIDGYMLM-MRXNPFEDSA-N 2 2 356.466 3.527 20 0 FHADLP O[C@]1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000535616675 929061246 /nfs/dbraw/zinc/06/12/46/929061246.db2.gz KWBVXCMVPPSNNU-NRFANRHFSA-N 2 2 370.880 3.813 20 0 FHADLP O[C@]1(C[NH2+]Cc2c(Cl)oc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000535616675 929061253 /nfs/dbraw/zinc/06/12/53/929061253.db2.gz KWBVXCMVPPSNNU-NRFANRHFSA-N 2 2 370.880 3.813 20 0 FHADLP CC[N@H+](CCC[NH+](C)C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000583290216 937323176 /nfs/dbraw/zinc/32/31/76/937323176.db2.gz NODGXEBZPAGPDN-UHFFFAOYSA-N 2 2 362.949 3.975 20 0 FHADLP CC[N@@H+](CCC[NH+](C)C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000583290216 937323177 /nfs/dbraw/zinc/32/31/77/937323177.db2.gz NODGXEBZPAGPDN-UHFFFAOYSA-N 2 2 362.949 3.975 20 0 FHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000162841986 937325884 /nfs/dbraw/zinc/32/58/84/937325884.db2.gz YNICHMIRSVHEEF-MRXNPFEDSA-N 2 2 367.497 3.908 20 0 FHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)C[N@@H+]1Cc1ccccc1 ZINC000651965944 929714002 /nfs/dbraw/zinc/71/40/02/929714002.db2.gz GTTMMOOCZWJJSU-VSKRKVRLSA-N 2 2 365.521 3.944 20 0 FHADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)C[N@H+]1Cc1ccccc1 ZINC000651965944 929714012 /nfs/dbraw/zinc/71/40/12/929714012.db2.gz GTTMMOOCZWJJSU-VSKRKVRLSA-N 2 2 365.521 3.944 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010719 929933295 /nfs/dbraw/zinc/93/32/95/929933295.db2.gz YJLZDOBIRGNLMK-PKOBYXMFSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010719 929933301 /nfs/dbraw/zinc/93/33/01/929933301.db2.gz YJLZDOBIRGNLMK-PKOBYXMFSA-N 2 2 366.509 3.653 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089465 930235404 /nfs/dbraw/zinc/23/54/04/930235404.db2.gz FZPBBBLCOATTGJ-ICSRJNTNSA-N 2 2 360.461 3.589 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089465 930235416 /nfs/dbraw/zinc/23/54/16/930235416.db2.gz FZPBBBLCOATTGJ-ICSRJNTNSA-N 2 2 360.461 3.589 20 0 FHADLP C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000580358696 930569235 /nfs/dbraw/zinc/56/92/35/930569235.db2.gz KXSIKHAINMGMMV-HOTGVXAUSA-N 2 2 366.431 3.891 20 0 FHADLP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598803 930678564 /nfs/dbraw/zinc/67/85/64/930678564.db2.gz OIJOIIAKIQIHLG-IBGZPJMESA-N 3 2 361.549 3.544 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000656253083 930855047 /nfs/dbraw/zinc/85/50/47/930855047.db2.gz IQKVGEQXPPWAQW-LJQANCHMSA-N 2 2 356.489 3.770 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000656253083 930855053 /nfs/dbraw/zinc/85/50/53/930855053.db2.gz IQKVGEQXPPWAQW-LJQANCHMSA-N 2 2 356.489 3.770 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424380 930941299 /nfs/dbraw/zinc/94/12/99/930941299.db2.gz HXQSFXJHVVKGQF-DOTOQJQBSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424380 930941305 /nfs/dbraw/zinc/94/13/05/930941305.db2.gz HXQSFXJHVVKGQF-DOTOQJQBSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424380 930941312 /nfs/dbraw/zinc/94/13/12/930941312.db2.gz HXQSFXJHVVKGQF-DOTOQJQBSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424380 930941318 /nfs/dbraw/zinc/94/13/18/930941318.db2.gz HXQSFXJHVVKGQF-DOTOQJQBSA-N 2 2 364.555 3.930 20 0 FHADLP CCOC(=O)C1CCC([N@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000580661372 930983164 /nfs/dbraw/zinc/98/31/64/930983164.db2.gz VACDWBVUEZWGGU-UHFFFAOYSA-N 2 2 355.482 3.816 20 0 FHADLP CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000580661372 930983182 /nfs/dbraw/zinc/98/31/82/930983182.db2.gz VACDWBVUEZWGGU-UHFFFAOYSA-N 2 2 355.482 3.816 20 0 FHADLP CC[N@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000581134725 931606039 /nfs/dbraw/zinc/60/60/39/931606039.db2.gz YKMHDTWYZSSKJY-HXUWFJFHSA-N 3 2 370.516 3.502 20 0 FHADLP CC[N@@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000581134725 931606055 /nfs/dbraw/zinc/60/60/55/931606055.db2.gz YKMHDTWYZSSKJY-HXUWFJFHSA-N 3 2 370.516 3.502 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553039 931811687 /nfs/dbraw/zinc/81/16/87/931811687.db2.gz SSDRYQYMUQQXPK-SCRDCRAPSA-N 2 2 368.403 3.876 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553039 931811694 /nfs/dbraw/zinc/81/16/94/931811694.db2.gz SSDRYQYMUQQXPK-SCRDCRAPSA-N 2 2 368.403 3.876 20 0 FHADLP C[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)CC(C)(C)C[NH3+] ZINC000430554350 931816966 /nfs/dbraw/zinc/81/69/66/931816966.db2.gz GEJWPVNYEOGUNE-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)CC(C)(C)C[NH3+] ZINC000430554350 931816969 /nfs/dbraw/zinc/81/69/69/931816969.db2.gz GEJWPVNYEOGUNE-UHFFFAOYSA-N 2 2 352.276 3.521 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000430556629 931827739 /nfs/dbraw/zinc/82/77/39/931827739.db2.gz LEKCWKFPARFXDP-CQSZACIVSA-N 2 2 352.693 3.548 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000430588001 931965570 /nfs/dbraw/zinc/96/55/70/931965570.db2.gz YEIXNJDRLMLKHP-CQSZACIVSA-N 2 2 351.235 3.514 20 0 FHADLP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548163157 931973674 /nfs/dbraw/zinc/97/36/74/931973674.db2.gz YTSGAYONLOXJHK-DSKINZAPSA-N 2 2 357.567 3.851 20 0 FHADLP C[C@H](NC[C@@H](c1ccsc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548163157 931973679 /nfs/dbraw/zinc/97/36/79/931973679.db2.gz YTSGAYONLOXJHK-DSKINZAPSA-N 2 2 357.567 3.851 20 0 FHADLP Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nc(C(C)(C)[NH3+])no2)s1 ZINC000430592118 931993984 /nfs/dbraw/zinc/99/39/84/931993984.db2.gz CCPCQHLIUHJQNO-UHFFFAOYSA-N 2 2 370.522 3.878 20 0 FHADLP Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nc(C(C)(C)[NH3+])no2)s1 ZINC000430592118 931993987 /nfs/dbraw/zinc/99/39/87/931993987.db2.gz CCPCQHLIUHJQNO-UHFFFAOYSA-N 2 2 370.522 3.878 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000124067065 932130732 /nfs/dbraw/zinc/13/07/32/932130732.db2.gz PBTOUVXQFSFUPY-GHTZIAJQSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(N(C)C)nc2)CC[N@H+]1Cc1ccccc1 ZINC000124067065 932130734 /nfs/dbraw/zinc/13/07/34/932130734.db2.gz PBTOUVXQFSFUPY-GHTZIAJQSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067065 932130738 /nfs/dbraw/zinc/13/07/38/932130738.db2.gz PBTOUVXQFSFUPY-GHTZIAJQSA-N 2 2 352.526 3.633 20 0 FHADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N(C)C)nc2)CC[NH+]1Cc1ccccc1 ZINC000124067065 932130742 /nfs/dbraw/zinc/13/07/42/932130742.db2.gz PBTOUVXQFSFUPY-GHTZIAJQSA-N 2 2 352.526 3.633 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000090184746 932277292 /nfs/dbraw/zinc/27/72/92/932277292.db2.gz OIRBXKYNSOMERK-GOSISDBHSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000090184746 932277297 /nfs/dbraw/zinc/27/72/97/932277297.db2.gz OIRBXKYNSOMERK-GOSISDBHSA-N 2 2 356.514 3.768 20 0 FHADLP Fc1ccc(COc2cccc(C[NH2+]CCCn3cc[nH+]c3)c2)c(F)c1 ZINC000647166169 932289563 /nfs/dbraw/zinc/28/95/63/932289563.db2.gz AOGMGYYCFARKMI-UHFFFAOYSA-N 2 2 357.404 3.920 20 0 FHADLP Brc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232866 932824335 /nfs/dbraw/zinc/82/43/35/932824335.db2.gz SDGLCRFTGFSCJZ-KBXCAEBGSA-N 2 2 374.326 3.961 20 0 FHADLP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2ncccc12 ZINC000391232866 932824340 /nfs/dbraw/zinc/82/43/40/932824340.db2.gz SDGLCRFTGFSCJZ-KBXCAEBGSA-N 2 2 374.326 3.961 20 0 FHADLP CCCCc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854572 933156683 /nfs/dbraw/zinc/15/66/83/933156683.db2.gz ATBMUONWBQOAJM-RTBURBONSA-N 2 2 356.514 3.584 20 0 FHADLP CCCCc1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854572 933156688 /nfs/dbraw/zinc/15/66/88/933156688.db2.gz ATBMUONWBQOAJM-RTBURBONSA-N 2 2 356.514 3.584 20 0 FHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749022 933641391 /nfs/dbraw/zinc/64/13/91/933641391.db2.gz DTXYKOKDGIKVHB-CRAIPNDOSA-N 2 2 358.448 3.727 20 0 FHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749022 933641394 /nfs/dbraw/zinc/64/13/94/933641394.db2.gz DTXYKOKDGIKVHB-CRAIPNDOSA-N 2 2 358.448 3.727 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000548427790 933667460 /nfs/dbraw/zinc/66/74/60/933667460.db2.gz RDDUBSGPOMBRAJ-ZRZAMGCNSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000548427790 933667465 /nfs/dbraw/zinc/66/74/65/933667465.db2.gz RDDUBSGPOMBRAJ-ZRZAMGCNSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000548427790 933667471 /nfs/dbraw/zinc/66/74/71/933667471.db2.gz RDDUBSGPOMBRAJ-ZRZAMGCNSA-N 2 2 370.500 3.707 20 0 FHADLP c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnc(-c5ccccc5)nc4)C[C@@H]3C2)cc1 ZINC000548427790 933667476 /nfs/dbraw/zinc/66/74/76/933667476.db2.gz RDDUBSGPOMBRAJ-ZRZAMGCNSA-N 2 2 370.500 3.707 20 0 FHADLP CCC[N@H+](CC(=O)N(CC)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431088965 933819072 /nfs/dbraw/zinc/81/90/72/933819072.db2.gz YHFLBXLGAGHDFT-UHFFFAOYSA-N 2 2 353.510 3.657 20 0 FHADLP CCC[N@@H+](CC(=O)N(CC)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431088965 933819076 /nfs/dbraw/zinc/81/90/76/933819076.db2.gz YHFLBXLGAGHDFT-UHFFFAOYSA-N 2 2 353.510 3.657 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)n2)cn1 ZINC000276927529 934023516 /nfs/dbraw/zinc/02/35/16/934023516.db2.gz NSAZGECOWNGNGT-IHRRRGAJSA-N 2 2 352.442 3.560 20 0 FHADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000510932529 934187926 /nfs/dbraw/zinc/18/79/26/934187926.db2.gz MHBYMOUEXZJASN-TWHAJKEOSA-N 2 2 350.506 3.669 20 0 FHADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000510932529 934187929 /nfs/dbraw/zinc/18/79/29/934187929.db2.gz MHBYMOUEXZJASN-TWHAJKEOSA-N 2 2 350.506 3.669 20 0 FHADLP c1cn(-c2csc(C[NH2+]CC[C@H]3CSc4ccccc4O3)c2)c[nH+]1 ZINC000647227749 934624552 /nfs/dbraw/zinc/62/45/52/934624552.db2.gz PAQZWSPZYLIELU-HNNXBMFYSA-N 2 2 357.504 3.967 20 0 FHADLP Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2c1C ZINC000472040815 934877941 /nfs/dbraw/zinc/87/79/41/934877941.db2.gz ALVGXIGKRYZTQF-UHFFFAOYSA-N 2 2 363.505 3.907 20 0 FHADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000548635659 935082517 /nfs/dbraw/zinc/08/25/17/935082517.db2.gz HXBJVHKGXKBCTL-BBRMVZONSA-N 2 2 368.506 3.989 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657313201 935115550 /nfs/dbraw/zinc/11/55/50/935115550.db2.gz PSHXAEILLBBANA-HDICACEKSA-N 2 2 367.541 3.771 20 0 FHADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657313201 935115559 /nfs/dbraw/zinc/11/55/59/935115559.db2.gz PSHXAEILLBBANA-HDICACEKSA-N 2 2 367.541 3.771 20 0 FHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nc4ccc(F)cc4o3)C1)CCCC2 ZINC000432113942 945105540 /nfs/dbraw/zinc/10/55/40/945105540.db2.gz ARNWPOUSALYECE-HNNXBMFYSA-N 2 2 354.429 3.798 20 0 FHADLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nc4ccc(F)cc4o3)C1)CCCC2 ZINC000432113942 945105545 /nfs/dbraw/zinc/10/55/45/945105545.db2.gz ARNWPOUSALYECE-HNNXBMFYSA-N 2 2 354.429 3.798 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158504178 935604584 /nfs/dbraw/zinc/60/45/84/935604584.db2.gz WKJQJTXHXHPEHG-NLWGTHIKSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158504178 935604586 /nfs/dbraw/zinc/60/45/86/935604586.db2.gz WKJQJTXHXHPEHG-NLWGTHIKSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158504178 935604588 /nfs/dbraw/zinc/60/45/88/935604588.db2.gz WKJQJTXHXHPEHG-NLWGTHIKSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158504178 935604590 /nfs/dbraw/zinc/60/45/90/935604590.db2.gz WKJQJTXHXHPEHG-NLWGTHIKSA-N 2 2 357.542 3.862 20 0 FHADLP CCOc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccccc1 ZINC000427135234 945114769 /nfs/dbraw/zinc/11/47/69/945114769.db2.gz IHIHGHHXUOSZFC-NHCUHLMSSA-N 2 2 366.505 3.848 20 0 FHADLP CCOc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccccc1 ZINC000427135234 945114775 /nfs/dbraw/zinc/11/47/75/945114775.db2.gz IHIHGHHXUOSZFC-NHCUHLMSSA-N 2 2 366.505 3.848 20 0 FHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793783 945131062 /nfs/dbraw/zinc/13/10/62/945131062.db2.gz QXKPDLOCZTXNBR-HOKKKISVSA-N 2 2 372.459 3.859 20 0 FHADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793783 945131065 /nfs/dbraw/zinc/13/10/65/945131065.db2.gz QXKPDLOCZTXNBR-HOKKKISVSA-N 2 2 372.459 3.859 20 0 FHADLP CC1(C)C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000684931809 935859963 /nfs/dbraw/zinc/85/99/63/935859963.db2.gz FKOHTSRUDBPMLD-LJQANCHMSA-N 2 2 370.566 3.755 20 0 FHADLP CC1(C)C[C@@H]([NH2+]C2CCN(c3nccs3)CC2)C[N@H+]1Cc1ccccc1 ZINC000684931809 935859967 /nfs/dbraw/zinc/85/99/67/935859967.db2.gz FKOHTSRUDBPMLD-LJQANCHMSA-N 2 2 370.566 3.755 20 0 FHADLP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCCO2 ZINC000152825886 935869291 /nfs/dbraw/zinc/86/92/91/935869291.db2.gz QHPBSNLNSRFZLZ-OAQYLSRUSA-N 2 2 369.484 3.731 20 0 FHADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)c(C)c1 ZINC000077316909 936044899 /nfs/dbraw/zinc/04/48/99/936044899.db2.gz PJBWJZRQJFLOBS-UHFFFAOYSA-N 2 2 366.509 3.830 20 0 FHADLP COCc1csc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000657659680 936186701 /nfs/dbraw/zinc/18/67/01/936186701.db2.gz RRSMSUOCRNTTJN-UHFFFAOYSA-N 2 2 362.514 3.830 20 0 FHADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000176748575 936189096 /nfs/dbraw/zinc/18/90/96/936189096.db2.gz XATXIGJRPVODDY-UHFFFAOYSA-N 2 2 362.486 3.714 20 0 FHADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000153468566 936205596 /nfs/dbraw/zinc/20/55/96/936205596.db2.gz DBOWXXJWCFTNPN-MRXNPFEDSA-N 2 2 357.473 3.587 20 0 FHADLP O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000582847398 936212722 /nfs/dbraw/zinc/21/27/22/936212722.db2.gz MZGSVNXYHSDUND-NRFANRHFSA-N 2 2 372.472 3.712 20 0 FHADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000582897674 936270525 /nfs/dbraw/zinc/27/05/25/936270525.db2.gz KXJGDXHILPLDFE-UHFFFAOYSA-N 2 2 353.226 3.851 20 0 FHADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000582897674 936270527 /nfs/dbraw/zinc/27/05/27/936270527.db2.gz KXJGDXHILPLDFE-UHFFFAOYSA-N 2 2 353.226 3.851 20 0 FHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441464 938255402 /nfs/dbraw/zinc/25/54/02/938255402.db2.gz IQAGTRQVWQZJJI-VQTJNVASSA-N 2 2 368.525 3.899 20 0 FHADLP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441464 938255404 /nfs/dbraw/zinc/25/54/04/938255404.db2.gz IQAGTRQVWQZJJI-VQTJNVASSA-N 2 2 368.525 3.899 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000583594791 938311720 /nfs/dbraw/zinc/31/17/20/938311720.db2.gz NBALMHDBVBUQLA-GOSISDBHSA-N 2 2 357.461 3.968 20 0 FHADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000583630896 938331216 /nfs/dbraw/zinc/33/12/16/938331216.db2.gz YJGRILIDMJLUTM-LBPRGKRZSA-N 2 2 355.429 4.000 20 0 FHADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000583630896 938331219 /nfs/dbraw/zinc/33/12/19/938331219.db2.gz YJGRILIDMJLUTM-LBPRGKRZSA-N 2 2 355.429 4.000 20 0 FHADLP CC(C)CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000668691928 938393052 /nfs/dbraw/zinc/39/30/52/938393052.db2.gz WACICJFMNHXEKC-HXUWFJFHSA-N 2 2 368.525 3.511 20 0 FHADLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3(C(=O)Nc4ccccc4)CC3)CC2)C1 ZINC000427986986 938556910 /nfs/dbraw/zinc/55/69/10/938556910.db2.gz IQVSOSOPFLYKMF-FXAWDEMLSA-N 2 2 355.526 3.790 20 0 FHADLP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171943 938628328 /nfs/dbraw/zinc/62/83/28/938628328.db2.gz OJZRNKQQGCCCPA-HXUWFJFHSA-N 2 2 367.468 3.551 20 0 FHADLP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1cccc(F)c1 ZINC000584171943 938628330 /nfs/dbraw/zinc/62/83/30/938628330.db2.gz OJZRNKQQGCCCPA-HXUWFJFHSA-N 2 2 367.468 3.551 20 0 FHADLP C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000151722943 938645742 /nfs/dbraw/zinc/64/57/42/938645742.db2.gz FNSVIQSFYNEWIM-SFHVURJKSA-N 2 2 361.493 3.583 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2ccncc2s1 ZINC000657840588 938696146 /nfs/dbraw/zinc/69/61/46/938696146.db2.gz HPKZXUNQOTVFIP-INIZCTEOSA-N 2 2 367.518 3.979 20 0 FHADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080958947 938709940 /nfs/dbraw/zinc/70/99/40/938709940.db2.gz NMEKSLOGOVHGAQ-WMZOPIPTSA-N 2 2 362.477 3.620 20 0 FHADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080958947 938709941 /nfs/dbraw/zinc/70/99/41/938709941.db2.gz NMEKSLOGOVHGAQ-WMZOPIPTSA-N 2 2 362.477 3.620 20 0 FHADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1c(Cl)cccc1Cl ZINC000080960957 938710459 /nfs/dbraw/zinc/71/04/59/938710459.db2.gz OTNBVGRGBLBGFN-GFCCVEGCSA-N 2 2 367.280 3.925 20 0 FHADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1c(Cl)cccc1Cl ZINC000080960957 938710462 /nfs/dbraw/zinc/71/04/62/938710462.db2.gz OTNBVGRGBLBGFN-GFCCVEGCSA-N 2 2 367.280 3.925 20 0 FHADLP C[N@H+](CCCCOc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005890 938714857 /nfs/dbraw/zinc/71/48/57/938714857.db2.gz ZSXWLYDRTYVJFZ-UHFFFAOYSA-N 2 2 367.537 3.880 20 0 FHADLP C[N@@H+](CCCCOc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005890 938714859 /nfs/dbraw/zinc/71/48/59/938714859.db2.gz ZSXWLYDRTYVJFZ-UHFFFAOYSA-N 2 2 367.537 3.880 20 0 FHADLP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1cccs1 ZINC000647333172 938822772 /nfs/dbraw/zinc/82/27/72/938822772.db2.gz NIBKAMNXTIOUOU-BEFAXECRSA-N 2 2 368.506 3.679 20 0 FHADLP c1ccc(COc2ccc(C[NH+]3CCC([NH+]4CCCC4)CC3)cc2)nc1 ZINC000506431684 945207044 /nfs/dbraw/zinc/20/70/44/945207044.db2.gz IWJVQQPLYKLELA-UHFFFAOYSA-N 2 2 351.494 3.721 20 0 FHADLP c1ccc(N2CCC([NH2+]CCCOc3cccc4cccnc43)CC2)[nH+]c1 ZINC000089627839 938861409 /nfs/dbraw/zinc/86/14/09/938861409.db2.gz YWZDLOZLNXECPS-UHFFFAOYSA-N 2 2 362.477 3.657 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)CO2 ZINC000090452126 938873978 /nfs/dbraw/zinc/87/39/78/938873978.db2.gz MZKDNVWFJWSBMD-NRFANRHFSA-N 2 2 354.469 3.864 20 0 FHADLP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000090667949 938881885 /nfs/dbraw/zinc/88/18/85/938881885.db2.gz KMRSJCYJEXFQLZ-IIBYNOLFSA-N 2 2 351.494 3.893 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nc2c(s1)CCCC2 ZINC000093370259 938933418 /nfs/dbraw/zinc/93/34/18/938933418.db2.gz OGFONKUKFBRARF-MRXNPFEDSA-N 2 2 371.550 3.705 20 0 FHADLP CN(Cc1ccc(F)c(Cl)c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457106 938987886 /nfs/dbraw/zinc/98/78/86/938987886.db2.gz DGLOALIXWNMVOG-HNNXBMFYSA-N 2 2 374.331 3.733 20 0 FHADLP CN(Cc1ccc(F)c(Cl)c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457106 938987887 /nfs/dbraw/zinc/98/78/87/938987887.db2.gz DGLOALIXWNMVOG-HNNXBMFYSA-N 2 2 374.331 3.733 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246930287 938997926 /nfs/dbraw/zinc/99/79/26/938997926.db2.gz BUJYSTRURKMEMN-YEWWUXTCSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246930287 938997927 /nfs/dbraw/zinc/99/79/27/938997927.db2.gz BUJYSTRURKMEMN-YEWWUXTCSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000685566857 939001214 /nfs/dbraw/zinc/00/12/14/939001214.db2.gz YQTJDRVHJPWPTD-QAPCUYQASA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000685566857 939001215 /nfs/dbraw/zinc/00/12/15/939001215.db2.gz YQTJDRVHJPWPTD-QAPCUYQASA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566857 939001216 /nfs/dbraw/zinc/00/12/16/939001216.db2.gz YQTJDRVHJPWPTD-QAPCUYQASA-N 2 2 359.539 3.566 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566857 939001217 /nfs/dbraw/zinc/00/12/17/939001217.db2.gz YQTJDRVHJPWPTD-QAPCUYQASA-N 2 2 359.539 3.566 20 0 FHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000611982674 939010943 /nfs/dbraw/zinc/01/09/43/939010943.db2.gz QFADQZAEYSLHOX-IBGZPJMESA-N 2 2 362.477 3.940 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658055997 939020838 /nfs/dbraw/zinc/02/08/38/939020838.db2.gz KBSIZOUWMZRIJZ-DOTOQJQBSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658055997 939020839 /nfs/dbraw/zinc/02/08/39/939020839.db2.gz KBSIZOUWMZRIJZ-DOTOQJQBSA-N 2 2 365.949 3.539 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091036 939022276 /nfs/dbraw/zinc/02/22/76/939022276.db2.gz KGZPHSJVFDWRQH-ZBFHGGJFSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091036 939022277 /nfs/dbraw/zinc/02/22/77/939022277.db2.gz KGZPHSJVFDWRQH-ZBFHGGJFSA-N 2 2 351.922 3.828 20 0 FHADLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccnc2N2CCCC2)CC1 ZINC000658100123 939025671 /nfs/dbraw/zinc/02/56/71/939025671.db2.gz GLXJCECLMUBGHI-GHTZIAJQSA-N 2 2 356.558 3.815 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658119115 939031840 /nfs/dbraw/zinc/03/18/40/939031840.db2.gz MTWQZBLFUHDUPI-OWZKRDHZSA-N 2 2 366.505 3.989 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658119115 939031844 /nfs/dbraw/zinc/03/18/44/939031844.db2.gz MTWQZBLFUHDUPI-OWZKRDHZSA-N 2 2 366.505 3.989 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000658122128 939032521 /nfs/dbraw/zinc/03/25/21/939032521.db2.gz SNZFRRKZMNREIQ-FXAWDEMLSA-N 2 2 354.494 3.704 20 0 FHADLP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000658122128 939032526 /nfs/dbraw/zinc/03/25/26/939032526.db2.gz SNZFRRKZMNREIQ-FXAWDEMLSA-N 2 2 354.494 3.704 20 0 FHADLP COC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000658166394 939054374 /nfs/dbraw/zinc/05/43/74/939054374.db2.gz UYLNUVWEBGPETE-KKSFZXQISA-N 2 2 351.450 3.919 20 0 FHADLP Clc1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658295398 939102341 /nfs/dbraw/zinc/10/23/41/939102341.db2.gz MNAPDTYFJUSKEJ-DZFGPLHGSA-N 2 2 362.945 3.894 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316419 939110069 /nfs/dbraw/zinc/11/00/69/939110069.db2.gz FTONREXGQFOWOY-YZGWKJHDSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316419 939110072 /nfs/dbraw/zinc/11/00/72/939110072.db2.gz FTONREXGQFOWOY-YZGWKJHDSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449255 945243153 /nfs/dbraw/zinc/24/31/53/945243153.db2.gz MROURTKUXGGYCY-LIRRHRJNSA-N 2 2 363.427 3.542 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000507449255 945243156 /nfs/dbraw/zinc/24/31/56/945243156.db2.gz MROURTKUXGGYCY-LIRRHRJNSA-N 2 2 363.427 3.542 20 0 FHADLP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000519291808 945278682 /nfs/dbraw/zinc/27/86/82/945278682.db2.gz JXZAWCCGLPSHHZ-OAQYLSRUSA-N 2 2 369.484 3.889 20 0 FHADLP COc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1OC1CC1 ZINC000628253471 939953964 /nfs/dbraw/zinc/95/39/64/939953964.db2.gz JGYDHERIZNKFRZ-UHFFFAOYSA-N 2 2 368.477 3.983 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(C)c1OC ZINC000375837532 939959325 /nfs/dbraw/zinc/95/93/25/939959325.db2.gz GTVCJWLQXLYDAF-KBXCAEBGSA-N 2 2 357.498 3.615 20 0 FHADLP CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262409 940087498 /nfs/dbraw/zinc/08/74/98/940087498.db2.gz JCMYHZZVMQCGAJ-INIZCTEOSA-N 2 2 374.479 3.943 20 0 FHADLP CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000628262409 940087501 /nfs/dbraw/zinc/08/75/01/940087501.db2.gz JCMYHZZVMQCGAJ-INIZCTEOSA-N 2 2 374.479 3.943 20 0 FHADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000892510732 940237413 /nfs/dbraw/zinc/23/74/13/940237413.db2.gz SGXMCJXMUCNUBF-IYBDPMFKSA-N 2 2 374.554 3.561 20 0 FHADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000892510732 940237415 /nfs/dbraw/zinc/23/74/15/940237415.db2.gz SGXMCJXMUCNUBF-IYBDPMFKSA-N 2 2 374.554 3.561 20 0 FHADLP C[C@H](C[C@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000177774056 940426733 /nfs/dbraw/zinc/42/67/33/940426733.db2.gz TWLLCYNAYYLXRI-QZTJIDSGSA-N 2 2 364.534 3.821 20 0 FHADLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173509910 940632622 /nfs/dbraw/zinc/63/26/22/940632622.db2.gz MZTWZPMWMYJHEV-LJQANCHMSA-N 2 2 374.488 3.609 20 0 FHADLP C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173509910 940632627 /nfs/dbraw/zinc/63/26/27/940632627.db2.gz MZTWZPMWMYJHEV-LJQANCHMSA-N 2 2 374.488 3.609 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127751 940638147 /nfs/dbraw/zinc/63/81/47/940638147.db2.gz SOTRRJMLZDJPRN-LEDOBFOHSA-N 2 2 368.521 3.537 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c(C)c1 ZINC000414127751 940638148 /nfs/dbraw/zinc/63/81/48/940638148.db2.gz SOTRRJMLZDJPRN-LEDOBFOHSA-N 2 2 368.521 3.537 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143521 940668468 /nfs/dbraw/zinc/66/84/68/940668468.db2.gz NORALUTVQMZOJX-UYAOXDASSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143521 940668473 /nfs/dbraw/zinc/66/84/73/940668473.db2.gz NORALUTVQMZOJX-UYAOXDASSA-N 2 2 352.526 3.782 20 0 FHADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(OC)c(OC)c(OC)c1 ZINC000652139781 945340325 /nfs/dbraw/zinc/34/03/25/945340325.db2.gz UPEBQVFEAUCGNY-KRWDZBQOSA-N 2 2 373.497 3.529 20 0 FHADLP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414337653 941002173 /nfs/dbraw/zinc/00/21/73/941002173.db2.gz DTXBNARADSKTTK-LPHOPBHVSA-N 2 2 350.441 3.941 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCCC[NH+]3CCCCC3)CC2)cc1 ZINC000164632538 941125919 /nfs/dbraw/zinc/12/59/19/941125919.db2.gz ZPWVBVXFPUVZKJ-UHFFFAOYSA-N 3 2 372.601 3.967 20 0 FHADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078810 941590973 /nfs/dbraw/zinc/59/09/73/941590973.db2.gz HBJROFOLQQNBCU-BHIYHBOVSA-N 2 2 369.896 3.528 20 0 FHADLP COc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(Br)c1 ZINC000313812212 941620106 /nfs/dbraw/zinc/62/01/06/941620106.db2.gz QYMSPMMKFAEUOW-UHFFFAOYSA-N 2 2 355.320 3.857 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000729323249 941717410 /nfs/dbraw/zinc/71/74/10/941717410.db2.gz OPBBMTLBSGNMOY-KDURUIRLSA-N 2 2 373.541 3.500 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000729323249 941717412 /nfs/dbraw/zinc/71/74/12/941717412.db2.gz OPBBMTLBSGNMOY-KDURUIRLSA-N 2 2 373.541 3.500 20 0 FHADLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Cl)c1 ZINC000472775915 941748668 /nfs/dbraw/zinc/74/86/68/941748668.db2.gz VMUWSLFMRYTICS-LDQXTDLNSA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cccc(Cl)c1 ZINC000472775915 941748670 /nfs/dbraw/zinc/74/86/70/941748670.db2.gz VMUWSLFMRYTICS-LDQXTDLNSA-N 2 2 358.913 3.874 20 0 FHADLP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513338492 941853245 /nfs/dbraw/zinc/85/32/45/941853245.db2.gz QLBPRFJHWHODMH-IBGZPJMESA-N 2 2 374.569 3.923 20 0 FHADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513338492 941853249 /nfs/dbraw/zinc/85/32/49/941853249.db2.gz QLBPRFJHWHODMH-IBGZPJMESA-N 2 2 374.569 3.923 20 0 FHADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000119319351 941879478 /nfs/dbraw/zinc/87/94/78/941879478.db2.gz XIHNNFRWVYAPBS-LSDHHAIUSA-N 2 2 371.447 3.887 20 0 FHADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)[C@@H]1c1cccnc1 ZINC000377704805 941914043 /nfs/dbraw/zinc/91/40/43/941914043.db2.gz WXXAHGUOONOBLP-GFTRJPJWSA-N 2 2 357.448 3.888 20 0 FHADLP C[N@H+]1CC[C@@H](C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)[C@@H]1c1cccnc1 ZINC000377704805 941914044 /nfs/dbraw/zinc/91/40/44/941914044.db2.gz WXXAHGUOONOBLP-GFTRJPJWSA-N 2 2 357.448 3.888 20 0 FHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377703857 941918876 /nfs/dbraw/zinc/91/88/76/941918876.db2.gz PYBQXVWCWMUNRN-BWAGFHJFSA-N 2 2 351.494 3.750 20 0 FHADLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377703857 941918880 /nfs/dbraw/zinc/91/88/80/941918880.db2.gz PYBQXVWCWMUNRN-BWAGFHJFSA-N 2 2 351.494 3.750 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000377716134 941927460 /nfs/dbraw/zinc/92/74/60/941927460.db2.gz FKENUQLMXWCZPV-OAHLLOKOSA-N 2 2 357.483 3.783 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000377716134 941927463 /nfs/dbraw/zinc/92/74/63/941927463.db2.gz FKENUQLMXWCZPV-OAHLLOKOSA-N 2 2 357.483 3.783 20 0 FHADLP C[N@@H+](Cc1ccccc1OCC1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434009139 942037215 /nfs/dbraw/zinc/03/72/15/942037215.db2.gz VKJNSUSZYGPJGI-GMAHTHKFSA-N 2 2 365.521 3.995 20 0 FHADLP C[N@H+](Cc1ccccc1OCC1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434009139 942037218 /nfs/dbraw/zinc/03/72/18/942037218.db2.gz VKJNSUSZYGPJGI-GMAHTHKFSA-N 2 2 365.521 3.995 20 0 FHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434009139 942037220 /nfs/dbraw/zinc/03/72/20/942037220.db2.gz VKJNSUSZYGPJGI-GMAHTHKFSA-N 2 2 365.521 3.995 20 0 FHADLP C[NH+](Cc1ccccc1OCC1CC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434009139 942037228 /nfs/dbraw/zinc/03/72/28/942037228.db2.gz VKJNSUSZYGPJGI-GMAHTHKFSA-N 2 2 365.521 3.995 20 0 FHADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)C1CC[NH+](C2CC2)CC1 ZINC000549355300 942037387 /nfs/dbraw/zinc/03/73/87/942037387.db2.gz WGOJCIYUECLTAP-UHFFFAOYSA-N 2 2 364.493 3.699 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3cc(Br)ccc3C1)CCC2 ZINC000462121033 942112057 /nfs/dbraw/zinc/11/20/57/942112057.db2.gz MQGKFBMHPHKLOH-WMZOPIPTSA-N 2 2 374.326 3.979 20 0 FHADLP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697676 942204438 /nfs/dbraw/zinc/20/44/38/942204438.db2.gz QNEGVVZQRGFQNF-CBPXPLCBSA-N 2 2 364.537 3.547 20 0 FHADLP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000513697676 942204444 /nfs/dbraw/zinc/20/44/44/942204444.db2.gz QNEGVVZQRGFQNF-CBPXPLCBSA-N 2 2 364.537 3.547 20 0 FHADLP Cc1nc(C(C)(C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)sc1C ZINC000420936405 942263132 /nfs/dbraw/zinc/26/31/32/942263132.db2.gz MVRODVIOVMPIGM-UHFFFAOYSA-N 2 2 359.539 3.617 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420938877 942264372 /nfs/dbraw/zinc/26/43/72/942264372.db2.gz BDOURDKDASRUAP-GOSISDBHSA-N 2 2 356.432 3.683 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420938877 942264377 /nfs/dbraw/zinc/26/43/77/942264377.db2.gz BDOURDKDASRUAP-GOSISDBHSA-N 2 2 356.432 3.683 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420942514 942280126 /nfs/dbraw/zinc/28/01/26/942280126.db2.gz HBRFXRHSNODUPA-GOSISDBHSA-N 2 2 369.475 3.863 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000420942514 942280132 /nfs/dbraw/zinc/28/01/32/942280132.db2.gz HBRFXRHSNODUPA-GOSISDBHSA-N 2 2 369.475 3.863 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378184393 942364560 /nfs/dbraw/zinc/36/45/60/942364560.db2.gz OMEWMFMWRAKQHE-MAUKXSAKSA-N 2 2 354.498 3.638 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000414820094 942401043 /nfs/dbraw/zinc/40/10/43/942401043.db2.gz AGNQSPPCVDZAHN-KRWDZBQOSA-N 2 2 355.507 3.513 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCC[C@@H](c4cccnc4)C3)[nH+]c2)C1 ZINC000502434902 942451234 /nfs/dbraw/zinc/45/12/34/942451234.db2.gz MKESAZDBLVLHOL-SLYNCCJLSA-N 2 2 365.525 3.755 20 0 FHADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000502456195 942458504 /nfs/dbraw/zinc/45/85/04/942458504.db2.gz YLMCEHBYAZCRDG-GIVPXCGWSA-N 2 2 360.542 3.681 20 0 FHADLP COCCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000893183126 942461528 /nfs/dbraw/zinc/46/15/28/942461528.db2.gz NMQXQXOKDPPNAE-HXUWFJFHSA-N 2 2 369.465 3.649 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000420293673 942596621 /nfs/dbraw/zinc/59/66/21/942596621.db2.gz ACBKDIPIWYBPJU-LBPRGKRZSA-N 2 2 370.337 3.554 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000420293673 942596627 /nfs/dbraw/zinc/59/66/27/942596627.db2.gz ACBKDIPIWYBPJU-LBPRGKRZSA-N 2 2 370.337 3.554 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285559 942605222 /nfs/dbraw/zinc/60/52/22/942605222.db2.gz FELNQTPXQSBNLM-KNBMTAEXSA-N 2 2 355.457 3.565 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000420285559 942605227 /nfs/dbraw/zinc/60/52/27/942605227.db2.gz FELNQTPXQSBNLM-KNBMTAEXSA-N 2 2 355.457 3.565 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420301883 942611255 /nfs/dbraw/zinc/61/12/55/942611255.db2.gz FGMTXQUWHDCRTH-JTHBVZDNSA-N 2 2 359.473 3.777 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420301883 942611257 /nfs/dbraw/zinc/61/12/57/942611257.db2.gz FGMTXQUWHDCRTH-JTHBVZDNSA-N 2 2 359.473 3.777 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000420303900 942612327 /nfs/dbraw/zinc/61/23/27/942612327.db2.gz ICISNAFJWFQSFH-QFIPXVFZSA-N 2 2 363.461 3.689 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)on1 ZINC000420303900 942612329 /nfs/dbraw/zinc/61/23/29/942612329.db2.gz ICISNAFJWFQSFH-QFIPXVFZSA-N 2 2 363.461 3.689 20 0 FHADLP Cc1nc(CC[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000378353174 942636630 /nfs/dbraw/zinc/63/66/30/942636630.db2.gz CVHRUDYNZRPVHC-UHFFFAOYSA-N 2 2 373.570 3.817 20 0 FHADLP Cc1nc(CC[N@H+](C)C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cs1 ZINC000378353174 942636636 /nfs/dbraw/zinc/63/66/36/942636636.db2.gz CVHRUDYNZRPVHC-UHFFFAOYSA-N 2 2 373.570 3.817 20 0 FHADLP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420359716 942637863 /nfs/dbraw/zinc/63/78/63/942637863.db2.gz KEJXJDRIQIYJKB-OALUTQOASA-N 2 2 359.558 3.611 20 0 FHADLP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1 ZINC000420359715 942637962 /nfs/dbraw/zinc/63/79/62/942637962.db2.gz KEJXJDRIQIYJKB-MOPGFXCFSA-N 2 2 359.558 3.611 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)cc1Cl ZINC000420360792 942638049 /nfs/dbraw/zinc/63/80/49/942638049.db2.gz MFLABLPHEVOGLY-SJKOYZFVSA-N 2 2 372.340 3.668 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404203 942662921 /nfs/dbraw/zinc/66/29/21/942662921.db2.gz LXVIYTAUTCPWHI-FGTMMUONSA-N 2 2 367.493 3.723 20 0 FHADLP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404203 942662923 /nfs/dbraw/zinc/66/29/23/942662923.db2.gz LXVIYTAUTCPWHI-FGTMMUONSA-N 2 2 367.493 3.723 20 0 FHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368800 942665038 /nfs/dbraw/zinc/66/50/38/942665038.db2.gz IKOYOMJKCRWCNP-ZWKOTPCHSA-N 2 2 368.525 3.503 20 0 FHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378368800 942665044 /nfs/dbraw/zinc/66/50/44/942665044.db2.gz IKOYOMJKCRWCNP-ZWKOTPCHSA-N 2 2 368.525 3.503 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000514081937 942732975 /nfs/dbraw/zinc/73/29/75/942732975.db2.gz DWJAOAASRLGBDG-HNNXBMFYSA-N 2 2 358.507 3.634 20 0 FHADLP COC(=O)c1csc([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000514081937 942732979 /nfs/dbraw/zinc/73/29/79/942732979.db2.gz DWJAOAASRLGBDG-HNNXBMFYSA-N 2 2 358.507 3.634 20 0 FHADLP c1c[nH]c([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CCCCC2)n1 ZINC000513755369 942746997 /nfs/dbraw/zinc/74/69/97/942746997.db2.gz RYBAPHSNQKIRAF-NRFANRHFSA-N 2 2 368.525 3.653 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470058 942800740 /nfs/dbraw/zinc/80/07/40/942800740.db2.gz AQJCOMFDUQHUEF-LUQKVYGDSA-N 2 2 352.482 3.900 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470058 942800746 /nfs/dbraw/zinc/80/07/46/942800746.db2.gz AQJCOMFDUQHUEF-LUQKVYGDSA-N 2 2 352.482 3.900 20 0 FHADLP COC1([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)CCCCC1 ZINC000421834606 942839116 /nfs/dbraw/zinc/83/91/16/942839116.db2.gz KVRIWGFGFYJWTO-QGZVFWFLSA-N 2 2 360.546 3.762 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000422017491 942952127 /nfs/dbraw/zinc/95/21/27/942952127.db2.gz JDOLABHKPJOALW-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3CCCCC3(C)C)CC2)CC1 ZINC000422017491 942952131 /nfs/dbraw/zinc/95/21/31/942952131.db2.gz JDOLABHKPJOALW-IBGZPJMESA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000503198804 943048251 /nfs/dbraw/zinc/04/82/51/943048251.db2.gz NODNKFHZWSLPIL-WBVHZDCISA-N 2 2 359.543 3.590 20 0 FHADLP CC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079466 943076455 /nfs/dbraw/zinc/07/64/55/943076455.db2.gz KIVYLGNFQUHYNA-ICSRJNTNSA-N 2 2 374.573 3.750 20 0 FHADLP CC[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000660079466 943076464 /nfs/dbraw/zinc/07/64/64/943076464.db2.gz KIVYLGNFQUHYNA-ICSRJNTNSA-N 2 2 374.573 3.750 20 0 FHADLP CC[C@@](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)(C(=O)OC)c1ccccc1 ZINC000414593264 943121755 /nfs/dbraw/zinc/12/17/55/943121755.db2.gz VWQDZUPCKCGMPD-FQEVSTJZSA-N 2 2 369.490 3.544 20 0 FHADLP COc1ccccc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272313064 943134825 /nfs/dbraw/zinc/13/48/25/943134825.db2.gz UFXYPPNEIQBTII-MRXNPFEDSA-N 2 2 354.498 3.794 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nc4cccnc4s3)C2)n2c1CCCC2 ZINC000503373637 943148459 /nfs/dbraw/zinc/14/84/59/943148459.db2.gz XRSBDLLQYQJBRC-AWEZNQCLSA-N 2 2 353.495 3.604 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nc4cccnc4s3)C2)n2c1CCCC2 ZINC000503373637 943148464 /nfs/dbraw/zinc/14/84/64/943148464.db2.gz XRSBDLLQYQJBRC-AWEZNQCLSA-N 2 2 353.495 3.604 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365183 943150089 /nfs/dbraw/zinc/15/00/89/943150089.db2.gz GMCKUBRKWWPJBX-FCGDIQPGSA-N 2 2 372.557 3.577 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365183 943150094 /nfs/dbraw/zinc/15/00/94/943150094.db2.gz GMCKUBRKWWPJBX-FCGDIQPGSA-N 2 2 372.557 3.577 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ncc(C(C)(C)C)s3)[nH+]c2)C1 ZINC000584584233 943191097 /nfs/dbraw/zinc/19/10/97/943191097.db2.gz FJPBADLSYIFMPQ-HNNXBMFYSA-N 2 2 359.543 3.588 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115062 943209765 /nfs/dbraw/zinc/20/97/65/943209765.db2.gz KCNBFJCZDHUHKF-SUMWQHHRSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115062 943209769 /nfs/dbraw/zinc/20/97/69/943209769.db2.gz KCNBFJCZDHUHKF-SUMWQHHRSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1OC(F)F ZINC000660115062 943209774 /nfs/dbraw/zinc/20/97/74/943209774.db2.gz KCNBFJCZDHUHKF-SUMWQHHRSA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1OC(F)F ZINC000660115062 943209779 /nfs/dbraw/zinc/20/97/79/943209779.db2.gz KCNBFJCZDHUHKF-SUMWQHHRSA-N 2 2 354.416 3.876 20 0 FHADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000422710518 943243997 /nfs/dbraw/zinc/24/39/97/943243997.db2.gz FYUNNJFCOFAJJO-REWPJTCUSA-N 3 2 360.505 3.815 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccc(C)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422719472 943257369 /nfs/dbraw/zinc/25/73/69/943257369.db2.gz YFOXEOYDMJMSRP-RTWAWAEBSA-N 2 2 351.494 3.868 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(Oc2c(OC)cccc2OC)nc1)[C@@H]1CCC[NH2+]1 ZINC000422724930 943259675 /nfs/dbraw/zinc/25/96/75/943259675.db2.gz XDRWFZQXOUFCKE-IRXDYDNUSA-N 2 2 371.481 3.511 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCCC[NH2+]1 ZINC000422726052 943259990 /nfs/dbraw/zinc/25/99/90/943259990.db2.gz ZDADJSWXIXSNPV-XJKSGUPXSA-N 2 2 352.404 3.511 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000422826010 943297258 /nfs/dbraw/zinc/29/72/58/943297258.db2.gz BHUBEBUMCGDYLS-PCCBWWKXSA-N 2 2 352.526 3.526 20 0 FHADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422836770 943301068 /nfs/dbraw/zinc/30/10/68/943301068.db2.gz RZSNZWASBXXLKP-FPOVZHCZSA-N 2 2 354.542 3.916 20 0 FHADLP c1coc(-c2nc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cs2)c1 ZINC000422893303 943330456 /nfs/dbraw/zinc/33/04/56/943330456.db2.gz PYOJQPKMYXWUGF-JXFKEZNVSA-N 2 2 367.474 3.749 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000423016083 943365393 /nfs/dbraw/zinc/36/53/93/943365393.db2.gz AYHMPFDPNFVIHO-GZOSKZMVSA-N 2 2 356.432 3.698 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1OCc1ccccc1 ZINC000423019551 943366603 /nfs/dbraw/zinc/36/66/03/943366603.db2.gz WDZAPDOIBVDDLP-NLWGTHIKSA-N 2 2 354.494 3.683 20 0 FHADLP C[C@H](NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423032408 943372134 /nfs/dbraw/zinc/37/21/34/943372134.db2.gz MMHDHADIWZYJLI-UGSOOPFHSA-N 2 2 356.341 3.688 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000435388720 943375347 /nfs/dbraw/zinc/37/53/47/943375347.db2.gz GWOILWNQLFEWDY-UHFFFAOYSA-N 2 2 357.885 3.776 20 0 FHADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423043088 943375577 /nfs/dbraw/zinc/37/55/77/943375577.db2.gz NGSNIRBZDHVYMJ-CIISACIHSA-N 2 2 352.404 3.858 20 0 FHADLP C[C@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423074128 943383060 /nfs/dbraw/zinc/38/30/60/943383060.db2.gz UBSAKYCOWPLXSZ-GDIGMMSISA-N 2 2 374.326 3.858 20 0 FHADLP C[C@H]([NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423074130 943383315 /nfs/dbraw/zinc/38/33/15/943383315.db2.gz UBSAKYCOWPLXSZ-KYNGSXCRSA-N 2 2 374.326 3.858 20 0 FHADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000423078113 943385514 /nfs/dbraw/zinc/38/55/14/943385514.db2.gz NVEIIHAUYZXXIO-AAEUAGOBSA-N 2 2 362.823 3.705 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423107857 943403336 /nfs/dbraw/zinc/40/33/36/943403336.db2.gz FMYNYNUFNMUQPU-AVRDEDQJSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423107857 943403344 /nfs/dbraw/zinc/40/33/44/943403344.db2.gz FMYNYNUFNMUQPU-AVRDEDQJSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1cc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435423671 943403525 /nfs/dbraw/zinc/40/35/25/943403525.db2.gz VGYMBDCVASNZTL-GOSISDBHSA-N 2 2 358.917 3.526 20 0 FHADLP Cc1cc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)ccc1Cl ZINC000435423671 943403530 /nfs/dbraw/zinc/40/35/30/943403530.db2.gz VGYMBDCVASNZTL-GOSISDBHSA-N 2 2 358.917 3.526 20 0 FHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423147340 943407245 /nfs/dbraw/zinc/40/72/45/943407245.db2.gz RTQZBYRMSJOHRU-KXBFYZLASA-N 2 2 354.885 3.574 20 0 FHADLP COc1cc(C)[nH+]c(CN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435427284 943407276 /nfs/dbraw/zinc/40/72/76/943407276.db2.gz MERPECXAADWQAS-IBGZPJMESA-N 2 2 357.523 3.604 20 0 FHADLP Cc1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)sc1Br ZINC000423156969 943413119 /nfs/dbraw/zinc/41/31/19/943413119.db2.gz LVOIATRZNWZNLU-YNEHKIRRSA-N 2 2 358.349 3.614 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[NH2+]C1 ZINC000435447368 943423039 /nfs/dbraw/zinc/42/30/39/943423039.db2.gz GJEDTTDPAHTQPR-QGZVFWFLSA-N 2 2 371.550 3.777 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CC[NH2+]C1 ZINC000435447368 943423040 /nfs/dbraw/zinc/42/30/40/943423040.db2.gz GJEDTTDPAHTQPR-QGZVFWFLSA-N 2 2 371.550 3.777 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2C[C@H]2c2cccc(OC)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423187426 943434380 /nfs/dbraw/zinc/43/43/80/943434380.db2.gz PKLHNJXOPRLUAB-QGQQZZQASA-N 2 2 366.505 3.890 20 0 FHADLP Cc1cc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2cccnc2)ccc1F ZINC000423194218 943437713 /nfs/dbraw/zinc/43/77/13/943437713.db2.gz YOUNVZPNDVIRPX-QFIPXVFZSA-N 2 2 364.468 3.783 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(OC(F)(F)F)cc1 ZINC000423235333 943442892 /nfs/dbraw/zinc/44/28/92/943442892.db2.gz QWZGPDXAXVHCCR-ZDUSSCGKSA-N 2 2 366.387 3.563 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1O ZINC000515020784 943449542 /nfs/dbraw/zinc/44/95/42/943449542.db2.gz PHZRAHVZOTXPFC-MRXNPFEDSA-N 2 2 351.450 3.539 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423326615 943480799 /nfs/dbraw/zinc/48/07/99/943480799.db2.gz JJBUTRROMBRRCJ-RXYZOABWSA-N 2 2 352.478 3.522 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCc3nc(C)sc32)cc1 ZINC000423330070 943481921 /nfs/dbraw/zinc/48/19/21/943481921.db2.gz LVFVIDPURWURLL-WDSOQIARSA-N 2 2 357.523 3.573 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCC3)cc1 ZINC000423354278 943488214 /nfs/dbraw/zinc/48/82/14/943488214.db2.gz COUGUQNQYILIII-XCRHUMRWSA-N 2 2 357.523 3.784 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281445 943508047 /nfs/dbraw/zinc/50/80/47/943508047.db2.gz UUCVOCIODGNVCA-RHSMWYFYSA-N 2 2 352.404 3.601 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc[nH]2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281445 943508048 /nfs/dbraw/zinc/50/80/48/943508048.db2.gz UUCVOCIODGNVCA-RHSMWYFYSA-N 2 2 352.404 3.601 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423509636 943532424 /nfs/dbraw/zinc/53/24/24/943532424.db2.gz RRYUQEKAIDVLFB-FQEVSTJZSA-N 2 2 359.464 3.786 20 0 FHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000660199179 943540216 /nfs/dbraw/zinc/54/02/16/943540216.db2.gz DOSGVTDHWTZDMO-YLJYHZDGSA-N 2 2 356.510 3.714 20 0 FHADLP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000660199179 943540220 /nfs/dbraw/zinc/54/02/20/943540220.db2.gz DOSGVTDHWTZDMO-YLJYHZDGSA-N 2 2 356.510 3.714 20 0 FHADLP c1coc(-c2noc(C[N@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000435685196 943546202 /nfs/dbraw/zinc/54/62/02/943546202.db2.gz XMYRJXZPUBIWOR-MRXNPFEDSA-N 2 2 370.478 3.535 20 0 FHADLP c1coc(-c2noc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)n2)c1 ZINC000435685196 943546206 /nfs/dbraw/zinc/54/62/06/943546206.db2.gz XMYRJXZPUBIWOR-MRXNPFEDSA-N 2 2 370.478 3.535 20 0 FHADLP COCC[NH2+]C1CC[NH+](Cc2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000515174871 943549569 /nfs/dbraw/zinc/54/95/69/943549569.db2.gz SKKAGHGQBDTNNH-UHFFFAOYSA-N 2 2 372.484 3.605 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423813821 943625222 /nfs/dbraw/zinc/62/52/22/943625222.db2.gz FIGQMHNYCYDTBR-VQIMIIECSA-N 2 2 371.550 3.680 20 0 FHADLP Cc1cc(NCc2c[nH+]cn2C(C)C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000424199595 943783678 /nfs/dbraw/zinc/78/36/78/943783678.db2.gz YZNUSRGTORLGAK-UHFFFAOYSA-N 2 2 355.530 3.915 20 0 FHADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH+]4CCSCC4)CCCCC3)C[C@H]2C1 ZINC000424296739 943824030 /nfs/dbraw/zinc/82/40/30/943824030.db2.gz FVHDPKVZBAUEFP-MKQMEDFFSA-N 2 2 352.588 3.531 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516927207 943834428 /nfs/dbraw/zinc/83/44/28/943834428.db2.gz CNPPSCZDRDUKAI-OAQYLSRUSA-N 2 2 364.537 3.925 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000516927207 943834436 /nfs/dbraw/zinc/83/44/36/943834436.db2.gz CNPPSCZDRDUKAI-OAQYLSRUSA-N 2 2 364.537 3.925 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000516933353 943841916 /nfs/dbraw/zinc/84/19/16/943841916.db2.gz DBHQTMCWYSOSOI-AUUYWEPGSA-N 2 2 354.479 3.599 20 0 FHADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000516933353 943841918 /nfs/dbraw/zinc/84/19/18/943841918.db2.gz DBHQTMCWYSOSOI-AUUYWEPGSA-N 2 2 354.479 3.599 20 0 FHADLP CC(C)C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)OC(C)(C)C ZINC000424330198 943847228 /nfs/dbraw/zinc/84/72/28/943847228.db2.gz RONQFPVVOBCPIF-KRWDZBQOSA-N 2 2 361.530 3.644 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Cl)c1 ZINC000424303404 943850973 /nfs/dbraw/zinc/85/09/73/943850973.db2.gz NUZKQOFULGTNAK-KPOBHBOGSA-N 2 2 366.933 3.767 20 0 FHADLP CC[N@H+](C[C@H](OC)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425415626 943851150 /nfs/dbraw/zinc/85/11/50/943851150.db2.gz KDGNCCRDROPLKI-IBGZPJMESA-N 2 2 360.546 3.624 20 0 FHADLP CC[N@@H+](C[C@H](OC)C1CC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000425415626 943851159 /nfs/dbraw/zinc/85/11/59/943851159.db2.gz KDGNCCRDROPLKI-IBGZPJMESA-N 2 2 360.546 3.624 20 0 FHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424336847 943868906 /nfs/dbraw/zinc/86/89/06/943868906.db2.gz RFDOGINXIIFXHY-QZTJIDSGSA-N 2 2 353.466 3.585 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000424340560 943871570 /nfs/dbraw/zinc/87/15/70/943871570.db2.gz YBRMOYPLRLMAQP-CUOATXAZSA-N 2 2 363.811 3.545 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647936827 943957801 /nfs/dbraw/zinc/95/78/01/943957801.db2.gz LWVBHTBVORDWSN-UXPWSPDFSA-N 2 2 362.477 3.885 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647936827 943957808 /nfs/dbraw/zinc/95/78/08/943957808.db2.gz LWVBHTBVORDWSN-UXPWSPDFSA-N 2 2 362.477 3.885 20 0 FHADLP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000436047767 943972409 /nfs/dbraw/zinc/97/24/09/943972409.db2.gz DXJQWSTYQKIIPF-UONOGXRCSA-N 2 2 351.466 3.902 20 0 FHADLP Cc1ncsc1C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000436047767 943972414 /nfs/dbraw/zinc/97/24/14/943972414.db2.gz DXJQWSTYQKIIPF-UONOGXRCSA-N 2 2 351.466 3.902 20 0 FHADLP CC(=O)N(c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cs1)c1ccc(C)cc1 ZINC000414797249 943983396 /nfs/dbraw/zinc/98/33/96/943983396.db2.gz IKVVJMXAYLLFJO-VQIMIIECSA-N 2 2 372.538 3.743 20 0 FHADLP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000517205839 944105222 /nfs/dbraw/zinc/10/52/22/944105222.db2.gz ODAGGTXKVFAOGY-YGRLFVJLSA-N 2 2 366.690 3.960 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000424775706 944112736 /nfs/dbraw/zinc/11/27/36/944112736.db2.gz RVGQIDBJGSJAPL-HZEGPAAWSA-N 2 2 363.590 3.608 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000424775706 944112740 /nfs/dbraw/zinc/11/27/40/944112740.db2.gz RVGQIDBJGSJAPL-HZEGPAAWSA-N 2 2 363.590 3.608 20 0 FHADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371565 944251367 /nfs/dbraw/zinc/25/13/67/944251367.db2.gz APNULDBUIWDUEF-FGZHOGPDSA-N 2 2 372.516 3.640 20 0 FHADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371565 944251373 /nfs/dbraw/zinc/25/13/73/944251373.db2.gz APNULDBUIWDUEF-FGZHOGPDSA-N 2 2 372.516 3.640 20 0 FHADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371566 944251534 /nfs/dbraw/zinc/25/15/34/944251534.db2.gz APNULDBUIWDUEF-VXKWHMMOSA-N 2 2 372.516 3.640 20 0 FHADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371566 944251541 /nfs/dbraw/zinc/25/15/41/944251541.db2.gz APNULDBUIWDUEF-VXKWHMMOSA-N 2 2 372.516 3.640 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473325 944294918 /nfs/dbraw/zinc/29/49/18/944294918.db2.gz XZMKPAUGGFPTAJ-KCZVDYSFSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473325 944294924 /nfs/dbraw/zinc/29/49/24/944294924.db2.gz XZMKPAUGGFPTAJ-KCZVDYSFSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473325 944294927 /nfs/dbraw/zinc/29/49/27/944294927.db2.gz XZMKPAUGGFPTAJ-KCZVDYSFSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473325 944294932 /nfs/dbraw/zinc/29/49/32/944294932.db2.gz XZMKPAUGGFPTAJ-KCZVDYSFSA-N 2 2 371.569 3.620 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CO2 ZINC000517537430 944382429 /nfs/dbraw/zinc/38/24/29/944382429.db2.gz WVRVOBAWKCPSDT-DLBZAZTESA-N 2 2 353.293 3.986 20 0 FHADLP Clc1cc(Cl)c2c(c1)C=C(C[NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CO2 ZINC000517537430 944382437 /nfs/dbraw/zinc/38/24/37/944382437.db2.gz WVRVOBAWKCPSDT-DLBZAZTESA-N 2 2 353.293 3.986 20 0 FHADLP O=C(CC[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(F)c1 ZINC000516030754 944443400 /nfs/dbraw/zinc/44/34/00/944443400.db2.gz VNQRQGCOXXXIOZ-FQEVSTJZSA-N 2 2 355.457 3.581 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc(N2CCCC2)n1 ZINC000426340811 944493955 /nfs/dbraw/zinc/49/39/55/944493955.db2.gz WBCBIWJWYWAPDP-UTKZUKDTSA-N 2 2 371.573 3.518 20 0 FHADLP CSCC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390625967 944582193 /nfs/dbraw/zinc/58/21/93/944582193.db2.gz DCJDCWSKAAJBOE-XVAXZDLZSA-N 2 2 362.583 3.789 20 0 FHADLP CSCC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000390625967 944582197 /nfs/dbraw/zinc/58/21/97/944582197.db2.gz DCJDCWSKAAJBOE-XVAXZDLZSA-N 2 2 362.583 3.789 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000518683913 944595666 /nfs/dbraw/zinc/59/56/66/944595666.db2.gz FIWKGPCZTYZOFC-GJYPPUQNSA-N 2 2 356.466 3.627 20 0 FHADLP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000518683913 944595671 /nfs/dbraw/zinc/59/56/71/944595671.db2.gz FIWKGPCZTYZOFC-GJYPPUQNSA-N 2 2 356.466 3.627 20 0 FHADLP c1cn(CCCC2CC[NH+](Cc3cnc([C@H]4CCCO4)s3)CC2)c[nH+]1 ZINC000516215329 944598584 /nfs/dbraw/zinc/59/85/84/944598584.db2.gz QCRDWOQFKGANGW-GOSISDBHSA-N 2 2 360.527 3.884 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584530 944636992 /nfs/dbraw/zinc/63/69/92/944636992.db2.gz CCQMHMPZQAZLCQ-AQNXPRMDSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584530 944636998 /nfs/dbraw/zinc/63/69/98/944636998.db2.gz CCQMHMPZQAZLCQ-AQNXPRMDSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506584530 944637002 /nfs/dbraw/zinc/63/70/02/944637002.db2.gz CCQMHMPZQAZLCQ-AQNXPRMDSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506584530 944637006 /nfs/dbraw/zinc/63/70/06/944637006.db2.gz CCQMHMPZQAZLCQ-AQNXPRMDSA-N 2 2 363.590 3.752 20 0 FHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390655746 944651315 /nfs/dbraw/zinc/65/13/15/944651315.db2.gz OPILARVUQRZXLW-SFHVURJKSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390655746 944651322 /nfs/dbraw/zinc/65/13/22/944651322.db2.gz OPILARVUQRZXLW-SFHVURJKSA-N 2 2 362.876 3.860 20 0 FHADLP COC(=O)C1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)CC1 ZINC000426026454 944662805 /nfs/dbraw/zinc/66/28/05/944662805.db2.gz ZXDDJKLSILHTMJ-QLOJAFMTSA-N 2 2 355.482 3.563 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1O ZINC000426408387 944701764 /nfs/dbraw/zinc/70/17/64/944701764.db2.gz ADVSRZUREIFLLR-KRWDZBQOSA-N 2 2 365.477 3.757 20 0 FHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020850 944703245 /nfs/dbraw/zinc/70/32/45/944703245.db2.gz YRXSBFDSLKAIJM-IEBWSBKVSA-N 2 2 350.572 3.787 20 0 FHADLP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020850 944703250 /nfs/dbraw/zinc/70/32/50/944703250.db2.gz YRXSBFDSLKAIJM-IEBWSBKVSA-N 2 2 350.572 3.787 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1O ZINC000426407885 944715987 /nfs/dbraw/zinc/71/59/87/944715987.db2.gz XVIRHFITYPRXLE-KRWDZBQOSA-N 2 2 365.477 3.757 20 0 FHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020854 944732022 /nfs/dbraw/zinc/73/20/22/944732022.db2.gz YRXSBFDSLKAIJM-PKOBYXMFSA-N 2 2 350.572 3.787 20 0 FHADLP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020854 944732027 /nfs/dbraw/zinc/73/20/27/944732027.db2.gz YRXSBFDSLKAIJM-PKOBYXMFSA-N 2 2 350.572 3.787 20 0 FHADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454018 944887279 /nfs/dbraw/zinc/88/72/79/944887279.db2.gz PIBFRWYYLGQTJE-RBBKRZOGSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454018 944887287 /nfs/dbraw/zinc/88/72/87/944887287.db2.gz PIBFRWYYLGQTJE-RBBKRZOGSA-N 2 2 354.469 3.694 20 0 FHADLP CC1(C)CC[N@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000516490467 944935924 /nfs/dbraw/zinc/93/59/24/944935924.db2.gz RCVDYRCCYSERTP-UHFFFAOYSA-N 2 2 352.482 3.557 20 0 FHADLP CC1(C)CC[N@@H+](CC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000516490467 944935929 /nfs/dbraw/zinc/93/59/29/944935929.db2.gz RCVDYRCCYSERTP-UHFFFAOYSA-N 2 2 352.482 3.557 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1F ZINC000414945693 944978366 /nfs/dbraw/zinc/97/83/66/944978366.db2.gz IRFCUFGJGWDZKS-UWJYYQICSA-N 2 2 353.416 3.748 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004063 945005722 /nfs/dbraw/zinc/00/57/22/945005722.db2.gz DDNILTBENQOTOB-DENIHFKCSA-N 2 2 359.558 3.616 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004063 945005729 /nfs/dbraw/zinc/00/57/29/945005729.db2.gz DDNILTBENQOTOB-DENIHFKCSA-N 2 2 359.558 3.616 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc3cccnc32)cc1F ZINC000414951362 945031234 /nfs/dbraw/zinc/03/12/34/945031234.db2.gz PTTSCFSUYNVSFX-XLIONFOSSA-N 2 2 353.416 3.748 20 0 FHADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158857 945038266 /nfs/dbraw/zinc/03/82/66/945038266.db2.gz DIUMLQNGJYLDFY-GUYCJALGSA-N 2 2 364.415 3.622 20 0 FHADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158857 945038276 /nfs/dbraw/zinc/03/82/76/945038276.db2.gz DIUMLQNGJYLDFY-GUYCJALGSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158857 945038284 /nfs/dbraw/zinc/03/82/84/945038284.db2.gz DIUMLQNGJYLDFY-GUYCJALGSA-N 2 2 364.415 3.622 20 0 FHADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)[C@H]2C1 ZINC000426158857 945038294 /nfs/dbraw/zinc/03/82/94/945038294.db2.gz DIUMLQNGJYLDFY-GUYCJALGSA-N 2 2 364.415 3.622 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000437130086 945059933 /nfs/dbraw/zinc/05/99/33/945059933.db2.gz SZPHYDYLBSHPOA-HXUWFJFHSA-N 2 2 350.510 3.767 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000437130086 945059943 /nfs/dbraw/zinc/05/99/43/945059943.db2.gz SZPHYDYLBSHPOA-HXUWFJFHSA-N 2 2 350.510 3.767 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053917 945513540 /nfs/dbraw/zinc/51/35/40/945513540.db2.gz PFKWLIQGWLILJC-CJNGLKHVSA-N 2 2 366.431 3.556 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053917 945513547 /nfs/dbraw/zinc/51/35/47/945513547.db2.gz PFKWLIQGWLILJC-CJNGLKHVSA-N 2 2 366.431 3.556 20 0 FHADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000519689597 945662133 /nfs/dbraw/zinc/66/21/33/945662133.db2.gz MOHBQNZDKMHFAK-ZGPJWRFFSA-N 2 2 351.494 3.976 20 0 FHADLP FC(F)(F)c1ncc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000443993669 945688061 /nfs/dbraw/zinc/68/80/61/945688061.db2.gz PZZSNRQGFBPCFV-UHFFFAOYSA-N 2 2 366.412 3.739 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000444002978 945709785 /nfs/dbraw/zinc/70/97/85/945709785.db2.gz QMVNNQPCNVCCOK-PZJWPPBQSA-N 2 2 358.913 3.621 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000444002978 945709788 /nfs/dbraw/zinc/70/97/88/945709788.db2.gz QMVNNQPCNVCCOK-PZJWPPBQSA-N 2 2 358.913 3.621 20 0 FHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000522750144 945746224 /nfs/dbraw/zinc/74/62/24/945746224.db2.gz AVOAHSUDSWGAOD-UHFFFAOYSA-N 2 2 374.488 3.788 20 0 FHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000415149890 945787987 /nfs/dbraw/zinc/78/79/87/945787987.db2.gz OSUFVBPLWXKNSV-HZPDHXFCSA-N 2 2 368.481 3.744 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000651729000 945788997 /nfs/dbraw/zinc/78/89/97/945788997.db2.gz RUIJZSAIOHFFFZ-QFBILLFUSA-N 2 2 372.484 3.986 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1F ZINC000651729000 945789002 /nfs/dbraw/zinc/78/90/02/945789002.db2.gz RUIJZSAIOHFFFZ-QFBILLFUSA-N 2 2 372.484 3.986 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281813842 945861490 /nfs/dbraw/zinc/86/14/90/945861490.db2.gz ZDCACGRWHPXAPE-BTYIYWSLSA-N 2 2 354.473 3.882 20 0 FHADLP Cc1nc(NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301714277 945929916 /nfs/dbraw/zinc/92/99/16/945929916.db2.gz ZHYNKPNFGXGBLD-HUUCEWRRSA-N 2 2 354.498 3.623 20 0 FHADLP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@H]21 ZINC000301735047 945939937 /nfs/dbraw/zinc/93/99/37/945939937.db2.gz ZNMKVEKBOGKRCS-XJKSGUPXSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@H]21 ZINC000301735047 945939945 /nfs/dbraw/zinc/93/99/45/945939945.db2.gz ZNMKVEKBOGKRCS-XJKSGUPXSA-N 2 2 360.299 3.918 20 0 FHADLP C[C@@H]([NH2+]C1(CNc2[nH]c3ccccc3[nH+]2)CCOCC1)c1ccccc1 ZINC000301866779 946011388 /nfs/dbraw/zinc/01/13/88/946011388.db2.gz HMOHDUOLEVIADR-MRXNPFEDSA-N 2 2 350.466 3.875 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219351 946084773 /nfs/dbraw/zinc/08/47/73/946084773.db2.gz YOMNNZVJDRHYMG-ONTIZHBOSA-N 2 2 371.569 3.840 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000444219351 946084783 /nfs/dbraw/zinc/08/47/83/946084783.db2.gz YOMNNZVJDRHYMG-ONTIZHBOSA-N 2 2 371.569 3.840 20 0 FHADLP C[NH+](C)C1CC[NH+](CCNc2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC000302061614 946102653 /nfs/dbraw/zinc/10/26/53/946102653.db2.gz RKCKQKYVJXIZTG-UHFFFAOYSA-N 2 2 367.324 3.980 20 0 FHADLP Cc1cc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)c2ccccc2[nH+]1 ZINC000302116182 946127587 /nfs/dbraw/zinc/12/75/87/946127587.db2.gz CBLGINLRVYLMIM-UHFFFAOYSA-N 2 2 352.869 3.914 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639543733 946148381 /nfs/dbraw/zinc/14/83/81/946148381.db2.gz ODBNYQSBLJJZGU-UHFFFAOYSA-N 2 2 361.449 3.917 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000302666084 946274431 /nfs/dbraw/zinc/27/44/31/946274431.db2.gz QDOMDISGZJKFRJ-MRXNPFEDSA-N 2 2 350.466 3.744 20 0 FHADLP Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000549556586 946363668 /nfs/dbraw/zinc/36/36/68/946363668.db2.gz ZSNAUUZWOOVLHF-ZDUSSCGKSA-N 2 2 353.388 3.830 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302899893 946375571 /nfs/dbraw/zinc/37/55/71/946375571.db2.gz QFSLPTWHMGJDGD-SFHVURJKSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302899893 946375576 /nfs/dbraw/zinc/37/55/76/946375576.db2.gz QFSLPTWHMGJDGD-SFHVURJKSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302899893 946375585 /nfs/dbraw/zinc/37/55/85/946375585.db2.gz QFSLPTWHMGJDGD-SFHVURJKSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302899893 946375593 /nfs/dbraw/zinc/37/55/93/946375593.db2.gz QFSLPTWHMGJDGD-SFHVURJKSA-N 2 2 357.546 3.558 20 0 FHADLP COc1ccc(F)cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000520307921 946378635 /nfs/dbraw/zinc/37/86/35/946378635.db2.gz MRSRJSBSAHFAIH-UHFFFAOYSA-N 2 2 351.425 3.705 20 0 FHADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Br)cn1 ZINC000475488892 946418144 /nfs/dbraw/zinc/41/81/44/946418144.db2.gz XVTUSVHGNIKAGS-NSHDSACASA-N 2 2 363.284 3.942 20 0 FHADLP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441372507 946523021 /nfs/dbraw/zinc/52/30/21/946523021.db2.gz POIOYEBWAFQOJO-PXNSSMCTSA-N 2 2 356.514 3.524 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)CC1 ZINC000192683152 946608821 /nfs/dbraw/zinc/60/88/21/946608821.db2.gz GPHDVIAXJQNKNP-NRFANRHFSA-N 2 2 353.510 3.584 20 0 FHADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122877518 946700258 /nfs/dbraw/zinc/70/02/58/946700258.db2.gz CNVXFEDRLOYNIP-WBMJQRKESA-N 2 2 367.280 3.712 20 0 FHADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000122877518 946700263 /nfs/dbraw/zinc/70/02/63/946700263.db2.gz CNVXFEDRLOYNIP-WBMJQRKESA-N 2 2 367.280 3.712 20 0 FHADLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000475199932 946715298 /nfs/dbraw/zinc/71/52/98/946715298.db2.gz XPUHRFIGAKYPIL-UHFFFAOYSA-N 2 2 368.550 4.000 20 0 FHADLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000475199932 946715303 /nfs/dbraw/zinc/71/53/03/946715303.db2.gz XPUHRFIGAKYPIL-UHFFFAOYSA-N 2 2 368.550 4.000 20 0 FHADLP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314790535 946770742 /nfs/dbraw/zinc/77/07/42/946770742.db2.gz CHYJHHOARKRMNP-CQSZACIVSA-N 2 2 361.511 3.622 20 0 FHADLP c1cn(-c2csc(C[NH2+]CC3CCN(c4ccccc4)CC3)c2)c[nH+]1 ZINC000475280888 946816710 /nfs/dbraw/zinc/81/67/10/946816710.db2.gz PHOVFODMVCFVKE-UHFFFAOYSA-N 2 2 352.507 3.940 20 0 FHADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288827 946827554 /nfs/dbraw/zinc/82/75/54/946827554.db2.gz URQOMMPYHKEORU-FUHWJXTLSA-N 2 2 355.551 3.880 20 0 FHADLP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288827 946827561 /nfs/dbraw/zinc/82/75/61/946827561.db2.gz URQOMMPYHKEORU-FUHWJXTLSA-N 2 2 355.551 3.880 20 0 FHADLP Cc1ccc([C@@]2(C)C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001167995014 946892622 /nfs/dbraw/zinc/89/26/22/946892622.db2.gz UDUVXDDQOUAIGB-HNTVYWHESA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@@]2(C)C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)CCO2)cc1 ZINC001167995014 946892634 /nfs/dbraw/zinc/89/26/34/946892634.db2.gz UDUVXDDQOUAIGB-HNTVYWHESA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CCO2)cc1 ZINC001167995014 946892647 /nfs/dbraw/zinc/89/26/47/946892647.db2.gz UDUVXDDQOUAIGB-HNTVYWHESA-N 2 2 354.538 3.948 20 0 FHADLP Cc1ccc([C@@]2(C)C[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CCO2)cc1 ZINC001167995014 946892658 /nfs/dbraw/zinc/89/26/58/946892658.db2.gz UDUVXDDQOUAIGB-HNTVYWHESA-N 2 2 354.538 3.948 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282015838 946911086 /nfs/dbraw/zinc/91/10/86/946911086.db2.gz JYKCKPNESCRRDS-KRWDZBQOSA-N 2 2 363.465 3.649 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nc(-c4ccccc4)no3)C2)n2c1CCCC2 ZINC000282015838 946911095 /nfs/dbraw/zinc/91/10/95/946911095.db2.gz JYKCKPNESCRRDS-KRWDZBQOSA-N 2 2 363.465 3.649 20 0 FHADLP c1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc1C1CCCCC1 ZINC000444596728 947020701 /nfs/dbraw/zinc/02/07/01/947020701.db2.gz XSJWYPWUTQSGQG-UHFFFAOYSA-N 2 2 363.571 3.735 20 0 FHADLP C[N@H+](Cc1ccc(C(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188264782 947501843 /nfs/dbraw/zinc/50/18/43/947501843.db2.gz QTNXTWUPZJXWIR-NRFANRHFSA-N 2 2 360.448 3.693 20 0 FHADLP C[N@@H+](Cc1ccc(C(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188264782 947501852 /nfs/dbraw/zinc/50/18/52/947501852.db2.gz QTNXTWUPZJXWIR-NRFANRHFSA-N 2 2 360.448 3.693 20 0 FHADLP C[NH+](Cc1ccc(C(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188264782 947501858 /nfs/dbraw/zinc/50/18/58/947501858.db2.gz QTNXTWUPZJXWIR-NRFANRHFSA-N 2 2 360.448 3.693 20 0 FHADLP C[NH+](Cc1ccc(C(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188264782 947501865 /nfs/dbraw/zinc/50/18/65/947501865.db2.gz QTNXTWUPZJXWIR-NRFANRHFSA-N 2 2 360.448 3.693 20 0 FHADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000445271597 947651279 /nfs/dbraw/zinc/65/12/79/947651279.db2.gz DKXVIBUNSDORNQ-GOSISDBHSA-N 2 2 354.494 3.928 20 0 FHADLP C[C@H](c1ccc(Oc2ccccc2)cc1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000445271597 947651289 /nfs/dbraw/zinc/65/12/89/947651289.db2.gz DKXVIBUNSDORNQ-GOSISDBHSA-N 2 2 354.494 3.928 20 0 FHADLP Cc1sc2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)[nH]c(=O)c2c1C ZINC000536362087 947728385 /nfs/dbraw/zinc/72/83/85/947728385.db2.gz BMEGYFBQNWQPBR-UHFFFAOYSA-N 2 2 362.543 3.566 20 0 FHADLP Cc1sc2nc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)[nH]c(=O)c2c1C ZINC000536362087 947728387 /nfs/dbraw/zinc/72/83/87/947728387.db2.gz BMEGYFBQNWQPBR-UHFFFAOYSA-N 2 2 362.543 3.566 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309796 947739993 /nfs/dbraw/zinc/73/99/93/947739993.db2.gz DTNYYHPKLYSMQE-GHTZIAJQSA-N 2 2 372.484 3.729 20 0 FHADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H](c3cccc(F)c3)OCC2(C)C)cc1 ZINC000662309796 947739996 /nfs/dbraw/zinc/73/99/96/947739996.db2.gz DTNYYHPKLYSMQE-GHTZIAJQSA-N 2 2 372.484 3.729 20 0 FHADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372885 947796178 /nfs/dbraw/zinc/79/61/78/947796178.db2.gz ZUAPYDOEVRFOER-ZWKOTPCHSA-N 2 2 366.509 3.532 20 0 FHADLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc(C(F)(F)F)c1 ZINC001143525211 947868118 /nfs/dbraw/zinc/86/81/18/947868118.db2.gz OQHXVJQUSPVHKQ-UHFFFAOYSA-N 2 2 365.399 3.740 20 0 FHADLP O[C@](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)(c1ccccc1)C(F)(F)F ZINC000162929543 947883060 /nfs/dbraw/zinc/88/30/60/947883060.db2.gz TUFHRQWISQQKMM-LJQANCHMSA-N 2 2 370.459 3.823 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000441484657 947946601 /nfs/dbraw/zinc/94/66/01/947946601.db2.gz ZCDCEFFOGVHSRA-FPOVZHCZSA-N 2 2 368.525 3.622 20 0 FHADLP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000662694067 947985489 /nfs/dbraw/zinc/98/54/89/947985489.db2.gz WQYMNVSRGSGBFJ-INIZCTEOSA-N 2 2 354.498 3.836 20 0 FHADLP c1[nH+]c(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)n2c1CCCC2 ZINC000278905614 948059212 /nfs/dbraw/zinc/05/92/12/948059212.db2.gz PXYPRAUGUXVLLP-UHFFFAOYSA-N 2 2 363.465 3.649 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119068 /nfs/dbraw/zinc/11/90/68/948119068.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119073 /nfs/dbraw/zinc/11/90/73/948119073.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119076 /nfs/dbraw/zinc/11/90/76/948119076.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825129 948119079 /nfs/dbraw/zinc/11/90/79/948119079.db2.gz REEUMSFYJNSTEP-RTBURBONSA-N 3 2 363.594 3.610 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343867 948175705 /nfs/dbraw/zinc/17/57/05/948175705.db2.gz AFYIKXJNOORLCW-QGZVFWFLSA-N 2 2 365.949 3.531 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CCCO1 ZINC000432343867 948175708 /nfs/dbraw/zinc/17/57/08/948175708.db2.gz AFYIKXJNOORLCW-QGZVFWFLSA-N 2 2 365.949 3.531 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCCO1 ZINC000432346838 948185022 /nfs/dbraw/zinc/18/50/22/948185022.db2.gz NAVLASZLYSBQPN-HNNXBMFYSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCCO1 ZINC000432346838 948185025 /nfs/dbraw/zinc/18/50/25/948185025.db2.gz NAVLASZLYSBQPN-HNNXBMFYSA-N 2 2 364.436 3.815 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCO1 ZINC000432352488 948198246 /nfs/dbraw/zinc/19/82/46/948198246.db2.gz YWAHZKQXVMRLMT-CYBMUJFWSA-N 2 2 362.848 3.532 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CCCO1 ZINC000432352488 948198248 /nfs/dbraw/zinc/19/82/48/948198248.db2.gz YWAHZKQXVMRLMT-CYBMUJFWSA-N 2 2 362.848 3.532 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776694 948252003 /nfs/dbraw/zinc/25/20/03/948252003.db2.gz OIBUYHBRWSFSPZ-AHRSYUTCSA-N 2 2 356.466 3.755 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776694 948252011 /nfs/dbraw/zinc/25/20/11/948252011.db2.gz OIBUYHBRWSFSPZ-AHRSYUTCSA-N 2 2 356.466 3.755 20 0 FHADLP CC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)Oc1ccccc1Cl ZINC000512065803 948344446 /nfs/dbraw/zinc/34/44/46/948344446.db2.gz BJUKZCHGUYLYPG-ZDUSSCGKSA-N 2 2 353.919 3.805 20 0 FHADLP O=C(CC[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccccc1F ZINC000585810772 948354887 /nfs/dbraw/zinc/35/48/87/948354887.db2.gz FZFMTMYLGAAMGK-HXUWFJFHSA-N 2 2 355.457 3.581 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc2ccccc21 ZINC000152352281 948356050 /nfs/dbraw/zinc/35/60/50/948356050.db2.gz YYVHQJFFBAMJTN-GBESFXJTSA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1cccc2ccccc21 ZINC000152352281 948356055 /nfs/dbraw/zinc/35/60/55/948356055.db2.gz YYVHQJFFBAMJTN-GBESFXJTSA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1cccc2ccccc21 ZINC000152352281 948356060 /nfs/dbraw/zinc/35/60/60/948356060.db2.gz YYVHQJFFBAMJTN-GBESFXJTSA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc2ccccc21 ZINC000152352281 948356064 /nfs/dbraw/zinc/35/60/64/948356064.db2.gz YYVHQJFFBAMJTN-GBESFXJTSA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1Br ZINC000432418671 948373602 /nfs/dbraw/zinc/37/36/02/948373602.db2.gz UJPHTACVUQNCPJ-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1Br ZINC000432418671 948373606 /nfs/dbraw/zinc/37/36/06/948373606.db2.gz UJPHTACVUQNCPJ-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)s1 ZINC000512081690 948375826 /nfs/dbraw/zinc/37/58/26/948375826.db2.gz ADDHEOHSQYLIOC-UHFFFAOYSA-N 2 2 373.522 3.535 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432421075 948382655 /nfs/dbraw/zinc/38/26/55/948382655.db2.gz FNUJELXHWLLEDN-XXBNENTESA-N 2 2 368.521 3.875 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2)cc1 ZINC000432421075 948382660 /nfs/dbraw/zinc/38/26/60/948382660.db2.gz FNUJELXHWLLEDN-XXBNENTESA-N 2 2 368.521 3.875 20 0 FHADLP CC[N@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512084514 948388244 /nfs/dbraw/zinc/38/82/44/948388244.db2.gz WVDDGXWKEJTNPX-NSHDSACASA-N 2 2 365.827 3.617 20 0 FHADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000512084514 948388247 /nfs/dbraw/zinc/38/82/47/948388247.db2.gz WVDDGXWKEJTNPX-NSHDSACASA-N 2 2 365.827 3.617 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449319 948449632 /nfs/dbraw/zinc/44/96/32/948449632.db2.gz VDHHCFAFEMBDED-KBPBESRZSA-N 2 2 360.420 3.579 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449319 948449635 /nfs/dbraw/zinc/44/96/35/948449635.db2.gz VDHHCFAFEMBDED-KBPBESRZSA-N 2 2 360.420 3.579 20 0 FHADLP Cc1ccc2nc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC000520665398 948542665 /nfs/dbraw/zinc/54/26/65/948542665.db2.gz KJNMFTUWFZPESN-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC000520665398 948542670 /nfs/dbraw/zinc/54/26/70/948542670.db2.gz KJNMFTUWFZPESN-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC000520665398 948542675 /nfs/dbraw/zinc/54/26/75/948542675.db2.gz KJNMFTUWFZPESN-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC000520665398 948542678 /nfs/dbraw/zinc/54/26/78/948542678.db2.gz KJNMFTUWFZPESN-NHCUHLMSSA-N 2 2 360.505 3.597 20 0 FHADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1c[nH+]c(C)cc1C ZINC000459126524 948589201 /nfs/dbraw/zinc/58/92/01/948589201.db2.gz RNKVZWDNSQUUHG-UHFFFAOYSA-N 2 2 368.525 3.752 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(OC)c1OC ZINC000359882940 210193832 /nfs/dbraw/zinc/19/38/32/210193832.db2.gz WOZSOYNYDWDDCD-KRWDZBQOSA-N 2 2 373.497 3.697 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(OC)c1OC ZINC000359882940 210193837 /nfs/dbraw/zinc/19/38/37/210193837.db2.gz WOZSOYNYDWDDCD-KRWDZBQOSA-N 2 2 373.497 3.697 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc(OC)c1OC ZINC000359878477 210193025 /nfs/dbraw/zinc/19/30/25/210193025.db2.gz RHVIBBQIUOVELT-QGZVFWFLSA-N 2 2 373.497 3.697 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)cc(OC)c1OC ZINC000359878477 210193027 /nfs/dbraw/zinc/19/30/27/210193027.db2.gz RHVIBBQIUOVELT-QGZVFWFLSA-N 2 2 373.497 3.697 20 0 FHADLP CC(C)c1nc(N(C)C)nc(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000502393360 514635424 /nfs/dbraw/zinc/63/54/24/514635424.db2.gz UHIYGVRCBBFIRB-UHFFFAOYSA-N 2 2 356.518 3.513 20 0 FHADLP CC(C)c1nc(N(C)C)nc(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000502393360 514635433 /nfs/dbraw/zinc/63/54/33/514635433.db2.gz UHIYGVRCBBFIRB-UHFFFAOYSA-N 2 2 356.518 3.513 20 0 FHADLP CC(C)c1nc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000502393360 514635445 /nfs/dbraw/zinc/63/54/45/514635445.db2.gz UHIYGVRCBBFIRB-UHFFFAOYSA-N 2 2 356.518 3.513 20 0 FHADLP CC(C)c1nc(NCc2ccccc2C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000502393360 514635454 /nfs/dbraw/zinc/63/54/54/514635454.db2.gz UHIYGVRCBBFIRB-UHFFFAOYSA-N 2 2 356.518 3.513 20 0 FHADLP CC[NH+](CC)Cc1ccccc1CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000502417250 514643257 /nfs/dbraw/zinc/64/32/57/514643257.db2.gz MEAJVPKVGVKMPR-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP CC[NH+](CC)Cc1ccccc1CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000502417250 514643265 /nfs/dbraw/zinc/64/32/65/514643265.db2.gz MEAJVPKVGVKMPR-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP COc1ccc(C)cc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000532675026 517091228 /nfs/dbraw/zinc/09/12/28/517091228.db2.gz KTGVQMVIXTWGAO-UHFFFAOYSA-N 2 2 354.498 3.541 20 0 FHADLP C[NH+](C)Cc1ccc(CNC(=O)c2cccc(Oc3cc[nH+]cc3)c2)cc1 ZINC000602942057 568021877 /nfs/dbraw/zinc/02/18/77/568021877.db2.gz MADWGDCSBFDUMC-UHFFFAOYSA-N 2 2 361.445 3.866 20 0 FHADLP CCOC(=O)c1ncc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000602804018 568037462 /nfs/dbraw/zinc/03/74/62/568037462.db2.gz GCAUUCUPSPNFHT-CYBMUJFWSA-N 2 2 370.478 3.665 20 0 FHADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4[nH+]ccn4c3)c2C1 ZINC000603884529 568176888 /nfs/dbraw/zinc/17/68/88/568176888.db2.gz WUIRNLINUXPBHQ-UHFFFAOYSA-N 2 2 371.444 3.513 20 0 FHADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc4[nH+]ccn4c3)c2C1 ZINC000603884529 568176889 /nfs/dbraw/zinc/17/68/89/568176889.db2.gz WUIRNLINUXPBHQ-UHFFFAOYSA-N 2 2 371.444 3.513 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220012 568230398 /nfs/dbraw/zinc/23/03/98/568230398.db2.gz GHGUATNJMFPSKQ-RBUKOAKNSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1Oc1cc[nH+]cc1 ZINC000604220012 568230399 /nfs/dbraw/zinc/23/03/99/568230399.db2.gz GHGUATNJMFPSKQ-RBUKOAKNSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313944 568249004 /nfs/dbraw/zinc/24/90/04/568249004.db2.gz IWMRKTVXEZMMJA-ROUUACIJSA-N 2 2 351.450 3.539 20 0 FHADLP Cc1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Oc1cc[nH+]cc1 ZINC000604313944 568249005 /nfs/dbraw/zinc/24/90/05/568249005.db2.gz IWMRKTVXEZMMJA-ROUUACIJSA-N 2 2 351.450 3.539 20 0 FHADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390872719 568401872 /nfs/dbraw/zinc/40/18/72/568401872.db2.gz RLRKFGAVDUUAHP-OAQYLSRUSA-N 2 2 353.510 3.789 20 0 FHADLP COc1cc(C)nc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390872719 568401873 /nfs/dbraw/zinc/40/18/73/568401873.db2.gz RLRKFGAVDUUAHP-OAQYLSRUSA-N 2 2 353.510 3.789 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3cccc4cccnc43)C2)cc1 ZINC000390878984 568407755 /nfs/dbraw/zinc/40/77/55/568407755.db2.gz STEKHSCFMAVQFG-JOCHJYFZSA-N 2 2 361.489 3.616 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3cccc4cccnc43)C2)cc1 ZINC000390878984 568407756 /nfs/dbraw/zinc/40/77/56/568407756.db2.gz STEKHSCFMAVQFG-JOCHJYFZSA-N 2 2 361.489 3.616 20 0 FHADLP Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000049700551 568563696 /nfs/dbraw/zinc/56/36/96/568563696.db2.gz AMOWDMZMZPKHDH-UHFFFAOYSA-N 2 2 362.477 3.969 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1csc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000275791403 570725643 /nfs/dbraw/zinc/72/56/43/570725643.db2.gz UHOWXRYVFUPVME-IBGZPJMESA-N 2 2 366.534 3.779 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1csc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000275791403 570725647 /nfs/dbraw/zinc/72/56/47/570725647.db2.gz UHOWXRYVFUPVME-IBGZPJMESA-N 2 2 366.534 3.779 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cc2ccccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000261792956 571024349 /nfs/dbraw/zinc/02/43/49/571024349.db2.gz NQSUKKFZKDXHIS-FQEVSTJZSA-N 2 2 364.493 3.794 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cc2ccccc2o1)[C@H]1CC12CC[NH2+]CC2 ZINC000261792956 571024351 /nfs/dbraw/zinc/02/43/51/571024351.db2.gz NQSUKKFZKDXHIS-FQEVSTJZSA-N 2 2 364.493 3.794 20 0 FHADLP CCCc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164624324 719086923 /nfs/dbraw/zinc/08/69/23/719086923.db2.gz FKHSGKUEQFHZHH-CTNGQTDRSA-N 2 2 350.510 3.838 20 0 FHADLP CCCc1cc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(C)[nH+]1 ZINC001164624324 719086924 /nfs/dbraw/zinc/08/69/24/719086924.db2.gz FKHSGKUEQFHZHH-CTNGQTDRSA-N 2 2 350.510 3.838 20 0 FHADLP CCc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)nc(C)[nH+]1 ZINC001164692653 719811049 /nfs/dbraw/zinc/81/10/49/719811049.db2.gz QTJFAJMEHIVCEW-UHFFFAOYSA-N 2 2 371.554 3.747 20 0 FHADLP CCc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(C)[nH+]1 ZINC001164692653 719811053 /nfs/dbraw/zinc/81/10/53/719811053.db2.gz QTJFAJMEHIVCEW-UHFFFAOYSA-N 2 2 371.554 3.747 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1 ZINC001164840132 720552353 /nfs/dbraw/zinc/55/23/53/720552353.db2.gz RPOSFYMLGMGLJO-NJDAHSKKSA-N 2 2 367.541 3.779 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1 ZINC001164840132 720552360 /nfs/dbraw/zinc/55/23/60/720552360.db2.gz RPOSFYMLGMGLJO-NJDAHSKKSA-N 2 2 367.541 3.779 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164995517 722197432 /nfs/dbraw/zinc/19/74/32/722197432.db2.gz VFOIWJFADOBHNI-QFIPXVFZSA-N 2 2 351.469 3.954 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4c([nH+]2)CCC4)C3)c1 ZINC001164995517 722197436 /nfs/dbraw/zinc/19/74/36/722197436.db2.gz VFOIWJFADOBHNI-QFIPXVFZSA-N 2 2 351.469 3.954 20 0 FHADLP O[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000052005628 936321014 /nfs/dbraw/zinc/32/10/14/936321014.db2.gz GMNDJNUOLLQYCB-SFHVURJKSA-N 2 2 356.432 3.689 20 0 FHADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992584 936349610 /nfs/dbraw/zinc/34/96/10/936349610.db2.gz HCHDMYDMAVSJSP-JOYOIKCWSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992584 936349622 /nfs/dbraw/zinc/34/96/22/936349622.db2.gz HCHDMYDMAVSJSP-JOYOIKCWSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992584 936349626 /nfs/dbraw/zinc/34/96/26/936349626.db2.gz HCHDMYDMAVSJSP-JOYOIKCWSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992584 936349629 /nfs/dbraw/zinc/34/96/29/936349629.db2.gz HCHDMYDMAVSJSP-JOYOIKCWSA-N 2 2 351.741 3.936 20 0 FHADLP C[N@H+](Cc1nc2ccccc2n1C(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440964 937092386 /nfs/dbraw/zinc/09/23/86/937092386.db2.gz VZIPNOIEFQKWAO-UHFFFAOYSA-N 2 2 371.435 3.927 20 0 FHADLP C[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440964 937092388 /nfs/dbraw/zinc/09/23/88/937092388.db2.gz VZIPNOIEFQKWAO-UHFFFAOYSA-N 2 2 371.435 3.927 20 0 FHADLP Cn1c[nH+]cc1CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000521943036 927673186 /nfs/dbraw/zinc/67/31/86/927673186.db2.gz KFFZYABLHAGIPN-UHFFFAOYSA-N 2 2 355.486 3.506 20 0 FHADLP Cn1c[nH+]cc1CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000521943036 927673194 /nfs/dbraw/zinc/67/31/94/927673194.db2.gz KFFZYABLHAGIPN-UHFFFAOYSA-N 2 2 355.486 3.506 20 0 FHADLP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2OC)CC1 ZINC000579840375 928362346 /nfs/dbraw/zinc/36/23/46/928362346.db2.gz UZDAUNPFAZBYER-UHFFFAOYSA-N 2 2 354.494 3.563 20 0 FHADLP C[NH+]1CCC([N@H+](CCC2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208685585 928468040 /nfs/dbraw/zinc/46/80/40/928468040.db2.gz CEHFMUUSWUVMCB-UHFFFAOYSA-N 2 2 365.562 3.582 20 0 FHADLP C[NH+]1CCC([N@@H+](CCC2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001208685585 928468047 /nfs/dbraw/zinc/46/80/47/928468047.db2.gz CEHFMUUSWUVMCB-UHFFFAOYSA-N 2 2 365.562 3.582 20 0 FHADLP C[C@H](c1ccccc1Br)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320422 928746143 /nfs/dbraw/zinc/74/61/43/928746143.db2.gz BSSCKZXPVBZAPN-CABCVRRESA-N 2 2 355.320 3.553 20 0 FHADLP C[C@H](c1ccccc1Br)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320422 928746152 /nfs/dbraw/zinc/74/61/52/928746152.db2.gz BSSCKZXPVBZAPN-CABCVRRESA-N 2 2 355.320 3.553 20 0 FHADLP C[C@@H](c1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000547733735 929099104 /nfs/dbraw/zinc/09/91/04/929099104.db2.gz FCVZOAYICNZLLC-SFHVURJKSA-N 2 2 373.541 3.673 20 0 FHADLP C[C@@H](c1cccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c1)[NH+]1CCOCC1 ZINC000547733735 929099123 /nfs/dbraw/zinc/09/91/23/929099123.db2.gz FCVZOAYICNZLLC-SFHVURJKSA-N 2 2 373.541 3.673 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)n2)CC1 ZINC000431527620 937307351 /nfs/dbraw/zinc/30/73/51/937307351.db2.gz FRKBWKBMQSRXRW-QGZVFWFLSA-N 2 2 364.559 3.578 20 0 FHADLP CC1CC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@H+]3C)n2)CC1 ZINC000431527620 937307354 /nfs/dbraw/zinc/30/73/54/937307354.db2.gz FRKBWKBMQSRXRW-QGZVFWFLSA-N 2 2 364.559 3.578 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221846 929250081 /nfs/dbraw/zinc/25/00/81/929250081.db2.gz YHISDJUJQHVPDY-SPEDKVCISA-N 2 2 367.537 3.679 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221846 929250089 /nfs/dbraw/zinc/25/00/89/929250089.db2.gz YHISDJUJQHVPDY-SPEDKVCISA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221846 929250101 /nfs/dbraw/zinc/25/01/01/929250101.db2.gz YHISDJUJQHVPDY-SPEDKVCISA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000471221846 929250111 /nfs/dbraw/zinc/25/01/11/929250111.db2.gz YHISDJUJQHVPDY-SPEDKVCISA-N 2 2 367.537 3.679 20 0 FHADLP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)CC3 ZINC000180123214 929382666 /nfs/dbraw/zinc/38/26/66/929382666.db2.gz ZLZSBSJITVDURR-SFHVURJKSA-N 2 2 360.505 3.987 20 0 FHADLP Cn1cc([C@@H]([NH2+]CCCCNc2cccc[nH+]2)c2cccc(F)c2)cn1 ZINC000180414974 929503811 /nfs/dbraw/zinc/50/38/11/929503811.db2.gz RLVCYYHLVHOCTQ-FQEVSTJZSA-N 2 2 353.445 3.526 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000472285207 937341802 /nfs/dbraw/zinc/34/18/02/937341802.db2.gz XHJNBQQHWLAVOU-GOSISDBHSA-N 2 2 351.560 3.733 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(C3CCCC3)n2)C1 ZINC000472285207 937341807 /nfs/dbraw/zinc/34/18/07/937341807.db2.gz XHJNBQQHWLAVOU-GOSISDBHSA-N 2 2 351.560 3.733 20 0 FHADLP O=C1Nc2ccccc2C12CCC([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000162911064 937364905 /nfs/dbraw/zinc/36/49/05/937364905.db2.gz YNKBJERKCWSZNP-UHFFFAOYSA-N 2 2 364.493 3.696 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[NH2+]1 ZINC001210495766 929857062 /nfs/dbraw/zinc/85/70/62/929857062.db2.gz BQEZQEWGVSYNLJ-AWEZNQCLSA-N 2 2 365.399 3.831 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CC[NH2+]1 ZINC001210495766 929857065 /nfs/dbraw/zinc/85/70/65/929857065.db2.gz BQEZQEWGVSYNLJ-AWEZNQCLSA-N 2 2 365.399 3.831 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010718 929932880 /nfs/dbraw/zinc/93/28/80/929932880.db2.gz YJLZDOBIRGNLMK-MJGOQNOKSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1C ZINC000548010718 929932885 /nfs/dbraw/zinc/93/28/85/929932885.db2.gz YJLZDOBIRGNLMK-MJGOQNOKSA-N 2 2 366.509 3.653 20 0 FHADLP CCc1oc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)OC ZINC000583369523 937384503 /nfs/dbraw/zinc/38/45/03/937384503.db2.gz OAYZHHFPIFMPQS-AWEZNQCLSA-N 2 2 367.449 3.974 20 0 FHADLP C[N@H+](CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCCC1 ZINC000548063775 930258901 /nfs/dbraw/zinc/25/89/01/930258901.db2.gz ACOUPBSZSHBFPN-UHFFFAOYSA-N 2 2 372.557 3.733 20 0 FHADLP C[N@@H+](CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1)C1CCCCC1 ZINC000548063775 930258904 /nfs/dbraw/zinc/25/89/04/930258904.db2.gz ACOUPBSZSHBFPN-UHFFFAOYSA-N 2 2 372.557 3.733 20 0 FHADLP Cc1cc(N2CC[NH+](Cc3ccc4cnccc4c3)CC2)nc(C(C)C)[nH+]1 ZINC000683825603 930312603 /nfs/dbraw/zinc/31/26/03/930312603.db2.gz KAMSAUPYXPTJDQ-UHFFFAOYSA-N 2 2 361.493 3.779 20 0 FHADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3csc4ccccc34)CC2)CC1 ZINC000275833758 930509908 /nfs/dbraw/zinc/50/99/08/930509908.db2.gz YVPVOGOVKBQFBH-UHFFFAOYSA-N 2 2 372.538 3.581 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000398040122 930632006 /nfs/dbraw/zinc/63/20/06/930632006.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 2 363.549 3.761 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000398040122 930632012 /nfs/dbraw/zinc/63/20/12/930632012.db2.gz RMAOZGFBKZCLPP-QDSKXPNFSA-N 2 2 363.549 3.761 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000125481720 930640292 /nfs/dbraw/zinc/64/02/92/930640292.db2.gz NNGZWCZWIYTGAZ-SFHVURJKSA-N 2 2 364.493 3.824 20 0 FHADLP Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)o1 ZINC000125481720 930640296 /nfs/dbraw/zinc/64/02/96/930640296.db2.gz NNGZWCZWIYTGAZ-SFHVURJKSA-N 2 2 364.493 3.824 20 0 FHADLP C[N@H+](C/C=C\c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000255614091 930876455 /nfs/dbraw/zinc/87/64/55/930876455.db2.gz XHWHXZNUHPJNLE-PLNGDYQASA-N 2 2 353.485 3.873 20 0 FHADLP C[N@@H+](C/C=C\c1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000255614091 930876461 /nfs/dbraw/zinc/87/64/61/930876461.db2.gz XHWHXZNUHPJNLE-PLNGDYQASA-N 2 2 353.485 3.873 20 0 FHADLP c1[nH+]c(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)n2c1CCCC2 ZINC000684026771 931014672 /nfs/dbraw/zinc/01/46/72/931014672.db2.gz LUUQZQAAVQKSGI-UHFFFAOYSA-N 2 2 356.539 3.934 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581131125 931598588 /nfs/dbraw/zinc/59/85/88/931598588.db2.gz JOJLDVDDXLZRFO-FQEVSTJZSA-N 2 2 366.505 3.991 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581131125 931598591 /nfs/dbraw/zinc/59/85/91/931598591.db2.gz JOJLDVDDXLZRFO-FQEVSTJZSA-N 2 2 366.505 3.991 20 0 FHADLP CC(C)[NH+](CCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C(C)C ZINC000581144320 931614219 /nfs/dbraw/zinc/61/42/19/931614219.db2.gz HETRCZWWQQXXLZ-UHFFFAOYSA-N 2 2 367.965 3.775 20 0 FHADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1)C1CC1 ZINC000430555927 931814571 /nfs/dbraw/zinc/81/45/71/931814571.db2.gz JRIKOOJYDOYZCT-FQEVSTJZSA-N 2 2 373.884 3.788 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562367 931863092 /nfs/dbraw/zinc/86/30/92/931863092.db2.gz DJQDRICYEKNIKU-DOTOQJQBSA-N 2 2 359.901 3.873 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000430562367 931863096 /nfs/dbraw/zinc/86/30/96/931863096.db2.gz DJQDRICYEKNIKU-DOTOQJQBSA-N 2 2 359.901 3.873 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000430562056 931870768 /nfs/dbraw/zinc/87/07/68/931870768.db2.gz PIGKMUAXZZQHFC-WMZOPIPTSA-N 2 2 372.340 3.620 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000430573374 931919001 /nfs/dbraw/zinc/91/90/01/931919001.db2.gz QIFFDLXGALKBTM-HXUWFJFHSA-N 2 2 357.523 3.739 20 0 FHADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574917 931922159 /nfs/dbraw/zinc/92/21/59/931922159.db2.gz USTNEYHZKGRVHY-NQIIRXRSSA-N 2 2 373.566 3.567 20 0 FHADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574917 931922165 /nfs/dbraw/zinc/92/21/65/931922165.db2.gz USTNEYHZKGRVHY-NQIIRXRSSA-N 2 2 373.566 3.567 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598002 932029335 /nfs/dbraw/zinc/02/93/35/932029335.db2.gz NDUOBTQDLCPJIY-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598002 932029341 /nfs/dbraw/zinc/02/93/41/932029341.db2.gz NDUOBTQDLCPJIY-JSGCOSHPSA-N 2 2 364.287 3.663 20 0 FHADLP OC1(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000581543429 932231539 /nfs/dbraw/zinc/23/15/39/932231539.db2.gz GGCLLUDMOBVUOZ-UHFFFAOYSA-N 2 2 361.489 3.993 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3cnccc3c2)cc1F ZINC000656790181 932422257 /nfs/dbraw/zinc/42/22/57/932422257.db2.gz OTRMWDDJSLJFFG-FPOVZHCZSA-N 2 2 365.452 3.618 20 0 FHADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000581727169 932561233 /nfs/dbraw/zinc/56/12/33/932561233.db2.gz LSYVENMIWKVKCG-LAUBAEHRSA-N 2 2 369.484 3.511 20 0 FHADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)c1 ZINC000581735726 932578237 /nfs/dbraw/zinc/57/82/37/932578237.db2.gz ABRNYDPBRIJQLH-GOSISDBHSA-N 2 2 363.864 3.782 20 0 FHADLP CN(C(=O)/C=C\C1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575251 932702801 /nfs/dbraw/zinc/70/28/01/932702801.db2.gz PBDTWCYIXDCXED-YVERFSONSA-N 2 2 361.574 3.528 20 0 FHADLP CN(C(=O)/C=C\C1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575251 932702806 /nfs/dbraw/zinc/70/28/06/932702806.db2.gz PBDTWCYIXDCXED-YVERFSONSA-N 2 2 361.574 3.528 20 0 FHADLP CC(C)(C)c1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836076 933084694 /nfs/dbraw/zinc/08/46/94/933084694.db2.gz HRUWGVYPQPVFBT-MSOLQXFVSA-N 2 2 356.514 3.539 20 0 FHADLP CC(C)(C)c1noc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836076 933084703 /nfs/dbraw/zinc/08/47/03/933084703.db2.gz HRUWGVYPQPVFBT-MSOLQXFVSA-N 2 2 356.514 3.539 20 0 FHADLP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)CC1 ZINC000430927098 933424818 /nfs/dbraw/zinc/42/48/18/933424818.db2.gz PLDMHALIVJSCDG-OLZOCXBDSA-N 2 2 374.554 3.514 20 0 FHADLP CC(C)SCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510872178 933916258 /nfs/dbraw/zinc/91/62/58/933916258.db2.gz KTSOCMYAKCQUCE-UHFFFAOYSA-N 2 2 372.332 3.882 20 0 FHADLP CC(C)SCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510872178 933916266 /nfs/dbraw/zinc/91/62/66/933916266.db2.gz KTSOCMYAKCQUCE-UHFFFAOYSA-N 2 2 372.332 3.882 20 0 FHADLP C[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276920955 933992882 /nfs/dbraw/zinc/99/28/82/933992882.db2.gz MMIUVWKMHOXQDW-XHSDSOJGSA-N 2 2 351.454 3.915 20 0 FHADLP C[C@@H](c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276920955 933992887 /nfs/dbraw/zinc/99/28/87/933992887.db2.gz MMIUVWKMHOXQDW-XHSDSOJGSA-N 2 2 351.454 3.915 20 0 FHADLP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c[nH+]1 ZINC000535773411 934362936 /nfs/dbraw/zinc/36/29/36/934362936.db2.gz OTYMWOVIGSUETM-UHFFFAOYSA-N 2 2 372.900 3.560 20 0 FHADLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(I)cc1 ZINC000610799093 934443165 /nfs/dbraw/zinc/44/31/65/934443165.db2.gz GXQLSPGDCOQQSC-SWLSCSKDSA-N 2 2 369.250 3.617 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000684614533 934558108 /nfs/dbraw/zinc/55/81/08/934558108.db2.gz YUJVOYAEXQVZCK-NRFANRHFSA-N 2 2 361.489 3.861 20 0 FHADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)ccc1C[NH+](C)C ZINC000458268342 934571801 /nfs/dbraw/zinc/57/18/01/934571801.db2.gz QORVZLJLYZAVSQ-OAHLLOKOSA-N 2 2 354.498 3.647 20 0 FHADLP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)ccc1C[NH+](C)C ZINC000458268342 934571811 /nfs/dbraw/zinc/57/18/11/934571811.db2.gz QORVZLJLYZAVSQ-OAHLLOKOSA-N 2 2 354.498 3.647 20 0 FHADLP CCSc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000472058050 934909753 /nfs/dbraw/zinc/90/97/53/934909753.db2.gz CYHJUHZDMCURBP-IRLDBZIGSA-N 2 2 370.562 3.771 20 0 FHADLP CCSc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000472058050 934909755 /nfs/dbraw/zinc/90/97/55/934909755.db2.gz CYHJUHZDMCURBP-IRLDBZIGSA-N 2 2 370.562 3.771 20 0 FHADLP CC[N@@H+](Cc1cn2ccnc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892093823 934982716 /nfs/dbraw/zinc/98/27/16/934982716.db2.gz GDAVBAXNBJYANY-UHFFFAOYSA-N 2 2 355.511 3.529 20 0 FHADLP CC[N@H+](Cc1cn2ccnc2s1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000892093823 934982720 /nfs/dbraw/zinc/98/27/20/934982720.db2.gz GDAVBAXNBJYANY-UHFFFAOYSA-N 2 2 355.511 3.529 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277390755 935066502 /nfs/dbraw/zinc/06/65/02/935066502.db2.gz GWRLKYFOHVWOEO-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277390755 935066505 /nfs/dbraw/zinc/06/65/05/935066505.db2.gz GWRLKYFOHVWOEO-FQEVSTJZSA-N 2 2 369.509 3.585 20 0 FHADLP COc1ccsc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000472133881 935120813 /nfs/dbraw/zinc/12/08/13/935120813.db2.gz CUYOYMDXQLZDRS-QGZVFWFLSA-N 2 2 359.539 3.620 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657312618 935125480 /nfs/dbraw/zinc/12/54/80/935125480.db2.gz BABLZWQZZYYMNY-UHFFFAOYSA-N 2 2 352.526 3.750 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664355 935206321 /nfs/dbraw/zinc/20/63/21/935206321.db2.gz DNUKAQRZZUUQQX-YOEHRIQHSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664355 935206324 /nfs/dbraw/zinc/20/63/24/935206324.db2.gz DNUKAQRZZUUQQX-YOEHRIQHSA-N 2 2 372.900 3.689 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)s1 ZINC000511777315 945086823 /nfs/dbraw/zinc/08/68/23/945086823.db2.gz WEMFGESMZQKFHR-UHFFFAOYSA-N 2 2 353.894 3.975 20 0 FHADLP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C4CCC4)nn3)c2)CC1 ZINC000657348764 935313254 /nfs/dbraw/zinc/31/32/54/935313254.db2.gz HHCSLDTVOWMFHX-UHFFFAOYSA-N 2 2 353.514 3.525 20 0 FHADLP CC1CC[NH+](CCC[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)CC1 ZINC000438835296 945094552 /nfs/dbraw/zinc/09/45/52/945094552.db2.gz WHZAXXPVBRFYTO-OAQYLSRUSA-N 3 2 358.505 3.865 20 0 FHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657375209 935443833 /nfs/dbraw/zinc/44/38/33/935443833.db2.gz WJFZRJGHVJKMQL-UHFFFAOYSA-N 2 2 365.481 3.518 20 0 FHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657375209 935443835 /nfs/dbraw/zinc/44/38/35/935443835.db2.gz WJFZRJGHVJKMQL-UHFFFAOYSA-N 2 2 365.481 3.518 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388419 935506188 /nfs/dbraw/zinc/50/61/88/935506188.db2.gz KYXVPIRJAXHRPT-HOCLYGCPSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388419 935506193 /nfs/dbraw/zinc/50/61/93/935506193.db2.gz KYXVPIRJAXHRPT-HOCLYGCPSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388417 935506350 /nfs/dbraw/zinc/50/63/50/935506350.db2.gz KYXVPIRJAXHRPT-GDBMZVCRSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388417 935506352 /nfs/dbraw/zinc/50/63/52/935506352.db2.gz KYXVPIRJAXHRPT-GDBMZVCRSA-N 2 2 366.431 3.582 20 0 FHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4ccc(F)cc4o3)C1)CCCC2 ZINC000432113943 945105840 /nfs/dbraw/zinc/10/58/40/945105840.db2.gz ARNWPOUSALYECE-OAHLLOKOSA-N 2 2 354.429 3.798 20 0 FHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4ccc(F)cc4o3)C1)CCCC2 ZINC000432113943 945105846 /nfs/dbraw/zinc/10/58/46/945105846.db2.gz ARNWPOUSALYECE-OAHLLOKOSA-N 2 2 354.429 3.798 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)c[nH+]1 ZINC000511784287 945107307 /nfs/dbraw/zinc/10/73/07/945107307.db2.gz FVFOLYXPLRIARP-YTFSRNRJSA-N 2 2 359.473 3.877 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)[C@H]4COCC[C@H]43)cc2)c[nH+]1 ZINC000511784287 945107311 /nfs/dbraw/zinc/10/73/11/945107311.db2.gz FVFOLYXPLRIARP-YTFSRNRJSA-N 2 2 359.473 3.877 20 0 FHADLP CC(C)Sc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000511115569 935649294 /nfs/dbraw/zinc/64/92/94/935649294.db2.gz NHRKCJBUESCBIW-HXUWFJFHSA-N 2 2 361.599 3.789 20 0 FHADLP CC(C)Sc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000511115569 935649298 /nfs/dbraw/zinc/64/92/98/935649298.db2.gz NHRKCJBUESCBIW-HXUWFJFHSA-N 2 2 361.599 3.789 20 0 FHADLP CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000072895503 935657187 /nfs/dbraw/zinc/65/71/87/935657187.db2.gz LKGZGECGYVPQFI-JOCHJYFZSA-N 2 2 365.521 3.592 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000431419130 935756037 /nfs/dbraw/zinc/75/60/37/935756037.db2.gz CYLJNTCVJJQNLH-FZKQIMNGSA-N 2 2 358.486 3.691 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000431419130 935756040 /nfs/dbraw/zinc/75/60/40/935756040.db2.gz CYLJNTCVJJQNLH-FZKQIMNGSA-N 2 2 358.486 3.691 20 0 FHADLP Brc1ccc2oc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)nc2c1 ZINC000375711086 935770580 /nfs/dbraw/zinc/77/05/80/935770580.db2.gz OUPAJFWBGYQRKA-UHFFFAOYSA-N 2 2 361.243 3.693 20 0 FHADLP c1ccc(COc2cnccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000582624547 935884924 /nfs/dbraw/zinc/88/49/24/935884924.db2.gz NGIJBHZXBLKPJV-UHFFFAOYSA-N 2 2 351.494 3.625 20 0 FHADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCc1ccc(F)cc1 ZINC000237278355 935891419 /nfs/dbraw/zinc/89/14/19/935891419.db2.gz NKXIKCNIYACMMS-LJQANCHMSA-N 2 2 358.457 3.597 20 0 FHADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCc1ccc(F)cc1 ZINC000237278355 935891422 /nfs/dbraw/zinc/89/14/22/935891422.db2.gz NKXIKCNIYACMMS-LJQANCHMSA-N 2 2 358.457 3.597 20 0 FHADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525952 935954091 /nfs/dbraw/zinc/95/40/91/935954091.db2.gz YUMCCTUOSPOOSD-QGZVFWFLSA-N 2 2 352.482 3.796 20 0 FHADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(-c2cc3ccccc3o2)n1 ZINC000657525952 935954094 /nfs/dbraw/zinc/95/40/94/935954094.db2.gz YUMCCTUOSPOOSD-QGZVFWFLSA-N 2 2 352.482 3.796 20 0 FHADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c2ccccc2C1 ZINC000582719654 935979802 /nfs/dbraw/zinc/97/98/02/935979802.db2.gz AHGXDPAYAVSCML-XZOQPEGZSA-N 2 2 365.521 3.893 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000657550013 936009469 /nfs/dbraw/zinc/00/94/69/936009469.db2.gz MWMAHOHNDMZDBK-YOEHRIQHSA-N 2 2 364.415 3.638 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc(C(F)(F)F)nc2)CC[N@H+]1Cc1ccccc1 ZINC000657550013 936009471 /nfs/dbraw/zinc/00/94/71/936009471.db2.gz MWMAHOHNDMZDBK-YOEHRIQHSA-N 2 2 364.415 3.638 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@H]3Cc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000685042868 936236551 /nfs/dbraw/zinc/23/65/51/936236551.db2.gz BPZLKDULTQXPOB-OAQYLSRUSA-N 2 2 372.472 3.797 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@H]3Cc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000685042868 936236554 /nfs/dbraw/zinc/23/65/54/936236554.db2.gz BPZLKDULTQXPOB-OAQYLSRUSA-N 2 2 372.472 3.797 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631671 938300529 /nfs/dbraw/zinc/30/05/29/938300529.db2.gz GUAOZYHAZQOPNR-RBBKRZOGSA-N 3 2 355.501 3.812 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1F ZINC000569631671 938300532 /nfs/dbraw/zinc/30/05/32/938300532.db2.gz GUAOZYHAZQOPNR-RBBKRZOGSA-N 3 2 355.501 3.812 20 0 FHADLP CN1CC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1c1ccccc1 ZINC000569631671 938300534 /nfs/dbraw/zinc/30/05/34/938300534.db2.gz GUAOZYHAZQOPNR-RBBKRZOGSA-N 2 2 355.501 3.812 20 0 FHADLP c1ccc2c(c1)CC[NH2+][C@H]2c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000583752119 938390388 /nfs/dbraw/zinc/39/03/88/938390388.db2.gz RTACLRHIQQPYFO-OAQYLSRUSA-N 2 2 374.488 3.958 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc([S@](C)=O)cc1 ZINC000151340734 938529521 /nfs/dbraw/zinc/52/95/21/938529521.db2.gz OJJPJWOVIHQVDP-PUAOIOHZSA-N 2 2 353.491 3.520 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C(F)F)nc1 ZINC000657823023 938573063 /nfs/dbraw/zinc/57/30/63/938573063.db2.gz GZINNHRBIVQVKT-HNNXBMFYSA-N 2 2 361.436 3.702 20 0 FHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657826128 938588734 /nfs/dbraw/zinc/58/87/34/938588734.db2.gz DRGDRARLRQVAIA-GOSISDBHSA-N 2 2 364.493 3.691 20 0 FHADLP Cc1cccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)(C)C(F)F)CC2)c1 ZINC000657828340 938599638 /nfs/dbraw/zinc/59/96/38/938599638.db2.gz SCWXZPVLOUQBSC-KRWDZBQOSA-N 2 2 353.501 3.777 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CCc2ccccc2)c(C)c1 ZINC000584108401 938600362 /nfs/dbraw/zinc/60/03/62/938600362.db2.gz BMRIJXQVMKMVLQ-GMAHTHKFSA-N 2 2 363.505 3.825 20 0 FHADLP CC(C)C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000635484736 938603518 /nfs/dbraw/zinc/60/35/18/938603518.db2.gz DEXKIRXSHAPQPB-FQEVSTJZSA-N 2 2 369.513 3.615 20 0 FHADLP c1cn2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2s1 ZINC000278649689 938615763 /nfs/dbraw/zinc/61/57/63/938615763.db2.gz IBQQHZKGGXPECE-GGPHIMKMSA-N 2 2 352.507 3.681 20 0 FHADLP c1cn2cc(C[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2s1 ZINC000278649689 938615766 /nfs/dbraw/zinc/61/57/66/938615766.db2.gz IBQQHZKGGXPECE-GGPHIMKMSA-N 2 2 352.507 3.681 20 0 FHADLP Cc1ccc([C@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+]2CCCC2)cc1 ZINC000584165995 938624646 /nfs/dbraw/zinc/62/46/46/938624646.db2.gz NZQMABVOKFEWNK-NRFANRHFSA-N 2 2 366.509 3.643 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Br)cn1 ZINC000584266735 938665066 /nfs/dbraw/zinc/66/50/66/938665066.db2.gz SJGRFHLVJNBPPD-ZDUSSCGKSA-N 2 2 357.255 3.881 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccsc2S1 ZINC000151781095 938676121 /nfs/dbraw/zinc/67/61/21/938676121.db2.gz NRAPSRCQAZOQKM-POZUXBRTSA-N 2 2 374.575 3.682 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccsc2S1 ZINC000151781095 938676124 /nfs/dbraw/zinc/67/61/24/938676124.db2.gz NRAPSRCQAZOQKM-POZUXBRTSA-N 2 2 374.575 3.682 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961178 938710427 /nfs/dbraw/zinc/71/04/27/938710427.db2.gz OJFAERBQZZAMAN-CQSZACIVSA-N 2 2 353.422 3.712 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961178 938710430 /nfs/dbraw/zinc/71/04/30/938710430.db2.gz OJFAERBQZZAMAN-CQSZACIVSA-N 2 2 353.422 3.712 20 0 FHADLP COc1ccc(C[NH+](CCn2cc[nH+]c2)Cc2ccc(OC)cc2)cc1 ZINC000131100960 938830582 /nfs/dbraw/zinc/83/05/82/938830582.db2.gz LJOOEINNEOVUHG-UHFFFAOYSA-N 2 2 351.450 3.603 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000545204791 938968656 /nfs/dbraw/zinc/96/86/56/938968656.db2.gz CWQGORPFEFRDPX-SFHVURJKSA-N 2 2 360.542 3.750 20 0 FHADLP C[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428166 938985363 /nfs/dbraw/zinc/98/53/63/938985363.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 2 372.459 3.547 20 0 FHADLP C[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428166 938985364 /nfs/dbraw/zinc/98/53/64/938985364.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428166 938985365 /nfs/dbraw/zinc/98/53/65/938985365.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 2 372.459 3.547 20 0 FHADLP C[NH+](C/C=C/c1ccc(F)c(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428166 938985366 /nfs/dbraw/zinc/98/53/66/938985366.db2.gz QGOKQXNVQUCERM-QNBZTBGESA-N 2 2 372.459 3.547 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000685652154 939008735 /nfs/dbraw/zinc/00/87/35/939008735.db2.gz QAKVFMTZBKHVSI-INIZCTEOSA-N 2 2 363.465 3.681 20 0 FHADLP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000685657995 939009839 /nfs/dbraw/zinc/00/98/39/939009839.db2.gz HWUDZFMRQKJBBQ-HNNXBMFYSA-N 2 2 355.929 3.762 20 0 FHADLP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000685657995 939009840 /nfs/dbraw/zinc/00/98/40/939009840.db2.gz HWUDZFMRQKJBBQ-HNNXBMFYSA-N 2 2 355.929 3.762 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)CCCO2 ZINC000657951756 939010740 /nfs/dbraw/zinc/01/07/40/939010740.db2.gz AEFRCEKTZLFBIY-OXJNMPFZSA-N 2 2 366.509 3.720 20 0 FHADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000611982675 939010991 /nfs/dbraw/zinc/01/09/91/939010991.db2.gz QFADQZAEYSLHOX-LJQANCHMSA-N 2 2 362.477 3.940 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2cc1OC ZINC000657981373 939015545 /nfs/dbraw/zinc/01/55/45/939015545.db2.gz QIIIBDFUFDZZCS-KDOFPFPSSA-N 2 2 351.450 3.719 20 0 FHADLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3cnc(C(F)(F)F)nc3)CC2)C1 ZINC000658079080 939021212 /nfs/dbraw/zinc/02/12/12/939021212.db2.gz OLRXISCIJMRFJQ-BBRMVZONSA-N 2 2 356.436 3.628 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090134 939022330 /nfs/dbraw/zinc/02/23/30/939022330.db2.gz DPVQFYWVURIABH-HIFRSBDPSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090134 939022331 /nfs/dbraw/zinc/02/23/31/939022331.db2.gz DPVQFYWVURIABH-HIFRSBDPSA-N 2 2 367.921 3.528 20 0 FHADLP CCCCc1nc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cs1 ZINC000506022527 945223027 /nfs/dbraw/zinc/22/30/27/945223027.db2.gz NHFZCSGDBVSTNJ-UHFFFAOYSA-N 2 2 365.587 3.810 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000658294042 939100040 /nfs/dbraw/zinc/10/00/40/939100040.db2.gz FAEIUTPFBPKWRW-SYAUCNOPSA-N 2 2 354.947 3.736 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc12 ZINC000658292499 939100248 /nfs/dbraw/zinc/10/02/48/939100248.db2.gz ZZVNMTUHYCUMJK-FUHWJXTLSA-N 2 2 354.494 3.752 20 0 FHADLP COc1ccc(C2CCC([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000658295034 939101457 /nfs/dbraw/zinc/10/14/57/939101457.db2.gz QXBDUFZSTWMDFO-CNBHCMJISA-N 2 2 358.526 3.564 20 0 FHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658297008 939102296 /nfs/dbraw/zinc/10/22/96/939102296.db2.gz XIOODTGOLKWMKO-IEBWSBKVSA-N 2 2 370.459 3.869 20 0 FHADLP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000507515161 945291995 /nfs/dbraw/zinc/29/19/95/945291995.db2.gz UWRJLROIHQPHCJ-LJQANCHMSA-N 2 2 366.553 3.632 20 0 FHADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1OCc1ccccn1 ZINC000584497387 940258418 /nfs/dbraw/zinc/25/84/18/940258418.db2.gz VPRRAXQPMHGLHT-UHFFFAOYSA-N 2 2 353.510 3.968 20 0 FHADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1OCc1ccccn1 ZINC000584497387 940258420 /nfs/dbraw/zinc/25/84/20/940258420.db2.gz VPRRAXQPMHGLHT-UHFFFAOYSA-N 2 2 353.510 3.968 20 0 FHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000651582462 945322353 /nfs/dbraw/zinc/32/23/53/945322353.db2.gz GBQZOWGKSXLKRH-CQSZACIVSA-N 2 2 373.360 3.552 20 0 FHADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414096700 940502163 /nfs/dbraw/zinc/50/21/63/940502163.db2.gz HVADDYUEQBYYOG-FOUBCARRSA-N 2 2 352.526 3.637 20 0 FHADLP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414096700 940502164 /nfs/dbraw/zinc/50/21/64/940502164.db2.gz HVADDYUEQBYYOG-FOUBCARRSA-N 2 2 352.526 3.637 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000414138947 940655004 /nfs/dbraw/zinc/65/50/04/940655004.db2.gz KNLGAKVDCJPVAW-AWEZNQCLSA-N 2 2 356.857 3.650 20 0 FHADLP Cc1cccc(C)c1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784899 940928079 /nfs/dbraw/zinc/92/80/79/940928079.db2.gz ZOOLTWZJUGHKTR-UHFFFAOYSA-N 2 2 367.537 3.716 20 0 FHADLP Cc1cccc(C)c1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784899 940928081 /nfs/dbraw/zinc/92/80/81/940928081.db2.gz ZOOLTWZJUGHKTR-UHFFFAOYSA-N 2 2 367.537 3.716 20 0 FHADLP COc1c(Br)cccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472582367 940948923 /nfs/dbraw/zinc/94/89/23/940948923.db2.gz RAOKKUDDBOMFBP-OAHLLOKOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000472582367 940948925 /nfs/dbraw/zinc/94/89/25/940948925.db2.gz RAOKKUDDBOMFBP-OAHLLOKOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000472582367 940948928 /nfs/dbraw/zinc/94/89/28/940948928.db2.gz RAOKKUDDBOMFBP-OAHLLOKOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1c(Br)cccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000472582367 940948931 /nfs/dbraw/zinc/94/89/31/940948931.db2.gz RAOKKUDDBOMFBP-OAHLLOKOSA-N 2 2 355.320 3.764 20 0 FHADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000186318873 940982118 /nfs/dbraw/zinc/98/21/18/940982118.db2.gz LDFFOUGNVWOMNJ-JOCHJYFZSA-N 2 2 374.488 3.609 20 0 FHADLP CCN(C(=O)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186318873 940982121 /nfs/dbraw/zinc/98/21/21/940982121.db2.gz LDFFOUGNVWOMNJ-JOCHJYFZSA-N 2 2 374.488 3.609 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc4ncccc4c3)sc2C1 ZINC000376436098 940995981 /nfs/dbraw/zinc/99/59/81/940995981.db2.gz VHQZPNKXEHQOST-UHFFFAOYSA-N 2 2 352.507 3.748 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc4ncccc4c3)sc2C1 ZINC000376436098 940995984 /nfs/dbraw/zinc/99/59/84/940995984.db2.gz VHQZPNKXEHQOST-UHFFFAOYSA-N 2 2 352.507 3.748 20 0 FHADLP CN(C)c1ccc(N2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000162891235 941062488 /nfs/dbraw/zinc/06/24/88/941062488.db2.gz KKQXAFNVOYFYNF-UHFFFAOYSA-N 2 2 367.541 3.598 20 0 FHADLP Cc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc(C2CCC2)[nH+]1 ZINC000892711220 941397435 /nfs/dbraw/zinc/39/74/35/941397435.db2.gz HHBAKINIRQWIPB-UHFFFAOYSA-N 2 2 366.509 3.621 20 0 FHADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3cccc4c3CCCN4)sc2C1 ZINC000415041498 941560556 /nfs/dbraw/zinc/56/05/56/941560556.db2.gz UDNDGAHPCBAPDK-UHFFFAOYSA-N 2 2 356.539 3.558 20 0 FHADLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3cccc4c3CCCN4)sc2C1 ZINC000415041498 941560560 /nfs/dbraw/zinc/56/05/60/941560560.db2.gz UDNDGAHPCBAPDK-UHFFFAOYSA-N 2 2 356.539 3.558 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415063637 941581333 /nfs/dbraw/zinc/58/13/33/941581333.db2.gz IMBPFDCSKXJHQA-UNMCSNQZSA-N 2 2 354.494 3.596 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415063636 941581653 /nfs/dbraw/zinc/58/16/53/941581653.db2.gz IMBPFDCSKXJHQA-RBBKRZOGSA-N 2 2 354.494 3.596 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000415068482 941583138 /nfs/dbraw/zinc/58/31/38/941583138.db2.gz RCZZQZUGDSHXPL-XLIONFOSSA-N 2 2 353.510 3.873 20 0 FHADLP COc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415077154 941587847 /nfs/dbraw/zinc/58/78/47/941587847.db2.gz DXPJTKFCKSQTQQ-UTKZUKDTSA-N 2 2 358.457 3.664 20 0 FHADLP O=C1[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCN1c1ccccc1Cl ZINC000415078815 941591169 /nfs/dbraw/zinc/59/11/69/941591169.db2.gz HBJROFOLQQNBCU-QRQLOZEOSA-N 2 2 369.896 3.528 20 0 FHADLP CC(C)(C)[NH2+]CC[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415122154 941618263 /nfs/dbraw/zinc/61/82/63/941618263.db2.gz ZYOCCXILCXOQNT-UHFFFAOYSA-N 2 2 357.464 3.648 20 0 FHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc21 ZINC000549237538 941698605 /nfs/dbraw/zinc/69/86/05/941698605.db2.gz SEHFSWQEPRAPLV-OALUTQOASA-N 2 2 353.466 3.655 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231110 941788340 /nfs/dbraw/zinc/78/83/40/941788340.db2.gz BTSXYFXVKUEYKU-TZIWHRDSSA-N 2 2 373.585 3.519 20 0 FHADLP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000513231110 941788345 /nfs/dbraw/zinc/78/83/45/941788345.db2.gz BTSXYFXVKUEYKU-TZIWHRDSSA-N 2 2 373.585 3.519 20 0 FHADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000263317965 941809538 /nfs/dbraw/zinc/80/95/38/941809538.db2.gz ZTYVOIFQWHFXKS-RXVVDRJESA-N 2 2 352.482 3.733 20 0 FHADLP C[N@H+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377627301 941850974 /nfs/dbraw/zinc/85/09/74/941850974.db2.gz OSNKPFMQDGWXFC-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[N@@H+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377627301 941850978 /nfs/dbraw/zinc/85/09/78/941850978.db2.gz OSNKPFMQDGWXFC-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377627301 941850985 /nfs/dbraw/zinc/85/09/85/941850985.db2.gz OSNKPFMQDGWXFC-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP C[NH+](Cc1ccccc1OCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377627301 941850989 /nfs/dbraw/zinc/85/09/89/941850989.db2.gz OSNKPFMQDGWXFC-WCRBZPEASA-N 2 2 351.494 3.718 20 0 FHADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc[nH+]c2ccccc21 ZINC000431846719 941852533 /nfs/dbraw/zinc/85/25/33/941852533.db2.gz TYXIPMLARAHQEP-UHFFFAOYSA-N 3 2 366.553 3.867 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CC(c4ccccn4)C3)CC2)cc1 ZINC000377653389 941871583 /nfs/dbraw/zinc/87/15/83/941871583.db2.gz RNQMAGOMDZQPHY-UHFFFAOYSA-N 2 2 350.510 3.652 20 0 FHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@@H+]1Cc1ccccc1 ZINC000433765243 941882315 /nfs/dbraw/zinc/88/23/15/941882315.db2.gz HGMFTSMKDKWUBG-AZUAARDMSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCCC3)[nH+]cn2)C[N@H+]1Cc1ccccc1 ZINC000433765243 941882317 /nfs/dbraw/zinc/88/23/17/941882317.db2.gz HGMFTSMKDKWUBG-AZUAARDMSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000433765243 941882323 /nfs/dbraw/zinc/88/23/23/941882323.db2.gz HGMFTSMKDKWUBG-AZUAARDMSA-N 2 2 365.525 3.789 20 0 FHADLP C[C@H]1C[C@@H](CCNc2cc(N3CCCC3)nc[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000433765243 941882330 /nfs/dbraw/zinc/88/23/30/941882330.db2.gz HGMFTSMKDKWUBG-AZUAARDMSA-N 2 2 365.525 3.789 20 0 FHADLP COc1cc([C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709820 941920532 /nfs/dbraw/zinc/92/05/32/941920532.db2.gz VJCPGRUKUVXARV-XERREHJYSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709820 941920533 /nfs/dbraw/zinc/92/05/33/941920533.db2.gz VJCPGRUKUVXARV-XERREHJYSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@H](C)[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709820 941920536 /nfs/dbraw/zinc/92/05/36/941920536.db2.gz VJCPGRUKUVXARV-XERREHJYSA-N 2 2 357.473 3.915 20 0 FHADLP COc1cc([C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1F ZINC000377709820 941920539 /nfs/dbraw/zinc/92/05/39/941920539.db2.gz VJCPGRUKUVXARV-XERREHJYSA-N 2 2 357.473 3.915 20 0 FHADLP CCOc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377712682 941924419 /nfs/dbraw/zinc/92/44/19/941924419.db2.gz MZCVJAICEBDZIA-QGZVFWFLSA-N 2 2 370.497 3.508 20 0 FHADLP CCOc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000377712682 941924422 /nfs/dbraw/zinc/92/44/22/941924422.db2.gz MZCVJAICEBDZIA-QGZVFWFLSA-N 2 2 370.497 3.508 20 0 FHADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415603261 941941982 /nfs/dbraw/zinc/94/19/82/941941982.db2.gz ZTWJYCGWZOTGGE-NRFANRHFSA-N 2 2 369.513 3.771 20 0 FHADLP c1ccc(C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)c2cccnc2)nc1 ZINC000513487906 941958946 /nfs/dbraw/zinc/95/89/46/941958946.db2.gz LQRLRTPURSTZGO-DEOSSOPVSA-N 2 2 372.516 3.798 20 0 FHADLP c1ccc(C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)c2cccnc2)nc1 ZINC000513487906 941958950 /nfs/dbraw/zinc/95/89/50/941958950.db2.gz LQRLRTPURSTZGO-DEOSSOPVSA-N 2 2 372.516 3.798 20 0 FHADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1c(C)nn(-c3ccc(F)cc3)c1C)CCC2 ZINC000377831763 942020435 /nfs/dbraw/zinc/02/04/35/942020435.db2.gz OEZRAILWGKRZSM-QGZVFWFLSA-N 2 2 367.472 3.800 20 0 FHADLP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434012003 942039121 /nfs/dbraw/zinc/03/91/21/942039121.db2.gz MJTBFXZWVOTYCO-HKUYNNGSSA-N 2 2 361.436 3.808 20 0 FHADLP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434012003 942039125 /nfs/dbraw/zinc/03/91/25/942039125.db2.gz MJTBFXZWVOTYCO-HKUYNNGSSA-N 2 2 361.436 3.808 20 0 FHADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434012003 942039129 /nfs/dbraw/zinc/03/91/29/942039129.db2.gz MJTBFXZWVOTYCO-HKUYNNGSSA-N 2 2 361.436 3.808 20 0 FHADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434012003 942039132 /nfs/dbraw/zinc/03/91/32/942039132.db2.gz MJTBFXZWVOTYCO-HKUYNNGSSA-N 2 2 361.436 3.808 20 0 FHADLP c1ccc(N2CCC(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000280473313 942189528 /nfs/dbraw/zinc/18/95/28/942189528.db2.gz CTPVLYHSXUWEEF-UHFFFAOYSA-N 2 2 350.510 3.557 20 0 FHADLP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697679 942204518 /nfs/dbraw/zinc/20/45/18/942204518.db2.gz QNEGVVZQRGFQNF-LRSLUSHPSA-N 2 2 364.537 3.547 20 0 FHADLP c1n[nH]c2c1CC[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000513697679 942204525 /nfs/dbraw/zinc/20/45/25/942204525.db2.gz QNEGVVZQRGFQNF-LRSLUSHPSA-N 2 2 364.537 3.547 20 0 FHADLP CCOc1ccccc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905179 942246813 /nfs/dbraw/zinc/24/68/13/942246813.db2.gz QNBJADQVMOPNNL-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP CCOc1ccccc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420905179 942246817 /nfs/dbraw/zinc/24/68/17/942246817.db2.gz QNBJADQVMOPNNL-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP COCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000420907039 942247575 /nfs/dbraw/zinc/24/75/75/942247575.db2.gz UPEMIJIRBGBTNQ-HXUWFJFHSA-N 2 2 368.521 3.728 20 0 FHADLP COCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000420907039 942247579 /nfs/dbraw/zinc/24/75/79/942247579.db2.gz UPEMIJIRBGBTNQ-HXUWFJFHSA-N 2 2 368.521 3.728 20 0 FHADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000420928885 942259085 /nfs/dbraw/zinc/25/90/85/942259085.db2.gz CZSCXBNBXGEJIG-UHFFFAOYSA-N 2 2 364.411 3.568 20 0 FHADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000420928885 942259088 /nfs/dbraw/zinc/25/90/88/942259088.db2.gz CZSCXBNBXGEJIG-UHFFFAOYSA-N 2 2 364.411 3.568 20 0 FHADLP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420916239 942266327 /nfs/dbraw/zinc/26/63/27/942266327.db2.gz NVNSVIRQZNLELV-MRXNPFEDSA-N 2 2 359.539 3.785 20 0 FHADLP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000420916239 942266331 /nfs/dbraw/zinc/26/63/31/942266331.db2.gz NVNSVIRQZNLELV-MRXNPFEDSA-N 2 2 359.539 3.785 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+](CCc3c(F)cccc3Cl)CC2)CC1 ZINC000420983993 942281981 /nfs/dbraw/zinc/28/19/81/942281981.db2.gz RTGJXXKLCBYFNY-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+](CCc3c(F)cccc3Cl)CC2)CC1 ZINC000420983993 942281986 /nfs/dbraw/zinc/28/19/86/942281986.db2.gz RTGJXXKLCBYFNY-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(CCc3c(F)cccc3Cl)CC2)CC1 ZINC000420983993 942281990 /nfs/dbraw/zinc/28/19/90/942281990.db2.gz RTGJXXKLCBYFNY-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(CCc3c(F)cccc3Cl)CC2)CC1 ZINC000420983993 942281995 /nfs/dbraw/zinc/28/19/95/942281995.db2.gz RTGJXXKLCBYFNY-UHFFFAOYSA-N 2 2 367.940 3.514 20 0 FHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000549397397 942303781 /nfs/dbraw/zinc/30/37/81/942303781.db2.gz FXYPWZWNGOZCAR-WOJBJXKFSA-N 2 2 372.601 3.758 20 0 FHADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000419687787 942352147 /nfs/dbraw/zinc/35/21/47/942352147.db2.gz FKMJICOJSDUNSF-LJQANCHMSA-N 2 2 363.933 3.643 20 0 FHADLP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)s1 ZINC000502324892 942355917 /nfs/dbraw/zinc/35/59/17/942355917.db2.gz FTOFWKGIYPMPGX-INIZCTEOSA-N 2 2 373.570 3.902 20 0 FHADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000502309041 942358276 /nfs/dbraw/zinc/35/82/76/942358276.db2.gz IJMSEQQMIBVFMK-INIZCTEOSA-N 2 2 353.304 3.735 20 0 FHADLP CCOc1cc(C[NH2+]C[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)ccc1O ZINC000502494244 942489544 /nfs/dbraw/zinc/48/95/44/942489544.db2.gz NCBHQSIKRIYPKT-OAQYLSRUSA-N 2 2 368.521 3.963 20 0 FHADLP CCOc1cc(C[NH2+]C[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)ccc1O ZINC000502494244 942489539 /nfs/dbraw/zinc/48/95/39/942489539.db2.gz NCBHQSIKRIYPKT-OAQYLSRUSA-N 2 2 368.521 3.963 20 0 FHADLP Cc1nc(COc2ccc(C[NH2+]C[C@@H]([NH3+])c3ccccc3)cc2)cs1 ZINC000414831247 942490527 /nfs/dbraw/zinc/49/05/27/942490527.db2.gz MXIFWPSCPNOZBI-HXUWFJFHSA-N 2 2 353.491 3.820 20 0 FHADLP [NH3+]C1(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCCCC1 ZINC000414833350 942494629 /nfs/dbraw/zinc/49/46/29/942494629.db2.gz AJTOPSVBPSDZAL-UHFFFAOYSA-N 2 2 366.431 3.701 20 0 FHADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831813 942500340 /nfs/dbraw/zinc/50/03/40/942500340.db2.gz NYPWSFLDSCZHRZ-PXAZEXFGSA-N 2 2 351.263 3.809 20 0 FHADLP CCCC[NH+](CCCC)CCNc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001167734407 942512519 /nfs/dbraw/zinc/51/25/19/942512519.db2.gz FZSZNIIPTJFVMZ-UHFFFAOYSA-N 2 2 360.502 3.593 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502551497 942528702 /nfs/dbraw/zinc/52/87/02/942528702.db2.gz MIZYVMZYIZHXOK-BZSNNMDCSA-N 2 2 369.912 3.507 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000502551497 942528706 /nfs/dbraw/zinc/52/87/06/942528706.db2.gz MIZYVMZYIZHXOK-BZSNNMDCSA-N 2 2 369.912 3.507 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+](C)C2CC[NH2+]CC2)on1 ZINC000420271974 942594399 /nfs/dbraw/zinc/59/43/99/942594399.db2.gz LFYHDQKGTORZTG-UHFFFAOYSA-N 2 2 351.450 3.687 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+](C)C2CC[NH2+]CC2)on1 ZINC000420271974 942594403 /nfs/dbraw/zinc/59/44/03/942594403.db2.gz LFYHDQKGTORZTG-UHFFFAOYSA-N 2 2 351.450 3.687 20 0 FHADLP Fc1cc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294913 942598669 /nfs/dbraw/zinc/59/86/69/942598669.db2.gz BMDONDHZHGZFEO-SJKOYZFVSA-N 2 2 361.288 3.896 20 0 FHADLP Fc1cc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c(Cl)cc1Cl ZINC000420294913 942598671 /nfs/dbraw/zinc/59/86/71/942598671.db2.gz BMDONDHZHGZFEO-SJKOYZFVSA-N 2 2 361.288 3.896 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420286369 942606331 /nfs/dbraw/zinc/60/63/31/942606331.db2.gz GCLSHSGZPWUZBK-LMNJBCLMSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420286369 942606335 /nfs/dbraw/zinc/60/63/35/942606335.db2.gz GCLSHSGZPWUZBK-LMNJBCLMSA-N 2 2 351.494 3.734 20 0 FHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)cc2)c1 ZINC000420298634 942610105 /nfs/dbraw/zinc/61/01/05/942610105.db2.gz FLGVJMSJJQJSSV-OAQYLSRUSA-N 2 2 355.482 3.689 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420301571 942611367 /nfs/dbraw/zinc/61/13/67/942611367.db2.gz FGMTXQUWHDCRTH-GGAORHGYSA-N 2 2 359.473 3.777 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420301571 942611370 /nfs/dbraw/zinc/61/13/70/942611370.db2.gz FGMTXQUWHDCRTH-GGAORHGYSA-N 2 2 359.473 3.777 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420362447 942638598 /nfs/dbraw/zinc/63/85/98/942638598.db2.gz OIIKURTVTXDODH-BLLLJJGKSA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420362447 942638604 /nfs/dbraw/zinc/63/86/04/942638604.db2.gz OIIKURTVTXDODH-BLLLJJGKSA-N 2 2 359.297 3.529 20 0 FHADLP Cc1ccc(Oc2ccccc2NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000420365708 942640953 /nfs/dbraw/zinc/64/09/53/942640953.db2.gz QLBYQCOVCCPQKU-FQEVSTJZSA-N 2 2 367.493 3.704 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc2ccccc21 ZINC000420365485 942641022 /nfs/dbraw/zinc/64/10/22/942641022.db2.gz SEPDSOJQXSTPKZ-IERDGZPVSA-N 2 2 353.510 3.514 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)n1 ZINC000420369423 942642684 /nfs/dbraw/zinc/64/26/84/942642684.db2.gz IYRCRIPWXUPLCG-LJQANCHMSA-N 2 2 362.477 3.606 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)n1 ZINC000420369423 942642689 /nfs/dbraw/zinc/64/26/89/942642689.db2.gz IYRCRIPWXUPLCG-LJQANCHMSA-N 2 2 362.477 3.606 20 0 FHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403793 942661954 /nfs/dbraw/zinc/66/19/54/942661954.db2.gz RRUOSHGNIYMXCB-UGKGYDQZSA-N 2 2 363.505 3.756 20 0 FHADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403793 942661964 /nfs/dbraw/zinc/66/19/64/942661964.db2.gz RRUOSHGNIYMXCB-UGKGYDQZSA-N 2 2 363.505 3.756 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470059 942800489 /nfs/dbraw/zinc/80/04/89/942800489.db2.gz AQJCOMFDUQHUEF-WJPUGNRLSA-N 2 2 352.482 3.900 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470059 942800495 /nfs/dbraw/zinc/80/04/95/942800495.db2.gz AQJCOMFDUQHUEF-WJPUGNRLSA-N 2 2 352.482 3.900 20 0 FHADLP COc1ccc([C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C2CC2)c(F)c1 ZINC000421821589 942832320 /nfs/dbraw/zinc/83/23/20/942832320.db2.gz SFKFQPQLJCWTLX-OAQYLSRUSA-N 2 2 355.457 3.939 20 0 FHADLP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425229607 943012860 /nfs/dbraw/zinc/01/28/60/943012860.db2.gz IGTIAZBMKPAIMM-HXUWFJFHSA-N 2 2 368.525 3.512 20 0 FHADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422207854 943048575 /nfs/dbraw/zinc/04/85/75/943048575.db2.gz MNLLCIKAVKXALA-UHFFFAOYSA-N 2 2 374.554 3.814 20 0 FHADLP CSc1ccc([C@@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000422213468 943056829 /nfs/dbraw/zinc/05/68/29/943056829.db2.gz RYLLXCMQNSKFGQ-LJQANCHMSA-N 2 2 372.538 3.522 20 0 FHADLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2Cl)n1 ZINC000435055126 943127405 /nfs/dbraw/zinc/12/74/05/943127405.db2.gz GVJIZUZKEMFYDP-QGZVFWFLSA-N 2 2 368.868 3.789 20 0 FHADLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccccc2Cl)n1 ZINC000435055126 943127410 /nfs/dbraw/zinc/12/74/10/943127410.db2.gz GVJIZUZKEMFYDP-QGZVFWFLSA-N 2 2 368.868 3.789 20 0 FHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)c(F)c1 ZINC000272500006 943166439 /nfs/dbraw/zinc/16/64/39/943166439.db2.gz DOKSWQWCUYFDCB-OAHLLOKOSA-N 2 2 368.802 3.519 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408625 943167855 /nfs/dbraw/zinc/16/78/55/943167855.db2.gz UBPBRVANPJHTIT-CEXWTWQISA-N 2 2 372.557 3.578 20 0 FHADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503408625 943167859 /nfs/dbraw/zinc/16/78/59/943167859.db2.gz UBPBRVANPJHTIT-CEXWTWQISA-N 2 2 372.557 3.578 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3ccccn3)[nH+]c2)C1 ZINC000272616646 943187394 /nfs/dbraw/zinc/18/73/94/943187394.db2.gz LHBISOMAILSOSV-NZQKXSOJSA-N 2 2 373.504 3.818 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ccccc3)c3ccccn3)[nH+]c2)C1 ZINC000272616644 943187790 /nfs/dbraw/zinc/18/77/90/943187790.db2.gz LHBISOMAILSOSV-NFBKMPQASA-N 2 2 373.504 3.818 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000272719040 943208324 /nfs/dbraw/zinc/20/83/24/943208324.db2.gz ZOOOFSLENUFRKS-UHFFFAOYSA-N 2 2 357.445 3.845 20 0 FHADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc2ccccc2c1 ZINC000272843387 943230883 /nfs/dbraw/zinc/23/08/83/943230883.db2.gz IXVFEFZIRQVNCP-LJQANCHMSA-N 2 2 366.427 3.880 20 0 FHADLP [NH3+][C@H]1C[C@H](NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c2ccccc21 ZINC000422699792 943237517 /nfs/dbraw/zinc/23/75/17/943237517.db2.gz BARWHGMEOKXRLH-SFTDATJTSA-N 2 2 357.448 3.664 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(NC(=O)c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000422711496 943244180 /nfs/dbraw/zinc/24/41/80/943244180.db2.gz NFCQKGAXASYVJD-PMACEKPBSA-N 2 2 355.457 3.698 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000503578997 943274112 /nfs/dbraw/zinc/27/41/12/943274112.db2.gz XZLBDJIHJUMDSR-QGZVFWFLSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000503578997 943274115 /nfs/dbraw/zinc/27/41/15/943274115.db2.gz XZLBDJIHJUMDSR-QGZVFWFLSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000503578997 943274118 /nfs/dbraw/zinc/27/41/18/943274118.db2.gz XZLBDJIHJUMDSR-QGZVFWFLSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000503578997 943274122 /nfs/dbraw/zinc/27/41/22/943274122.db2.gz XZLBDJIHJUMDSR-QGZVFWFLSA-N 2 2 373.566 3.976 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C(C)C)cc1OCC ZINC000422797849 943286988 /nfs/dbraw/zinc/28/69/88/943286988.db2.gz ORYQKTDHNBPNKO-YRISNDGFSA-N 2 2 364.530 3.538 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889986 943319340 /nfs/dbraw/zinc/31/93/40/943319340.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 3 2 352.526 3.823 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422889986 943319345 /nfs/dbraw/zinc/31/93/45/943319345.db2.gz HECBQSXPRGKIAD-KSZLIROESA-N 3 2 352.526 3.823 20 0 FHADLP CCCOc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(OC(F)F)c1 ZINC000422889437 943319798 /nfs/dbraw/zinc/31/97/98/943319798.db2.gz POCUBPCCFHMCRA-LBPRGKRZSA-N 2 2 351.397 3.735 20 0 FHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966523 943343497 /nfs/dbraw/zinc/34/34/97/943343497.db2.gz AKQWOYYYXYPUJM-XMSQKQJNSA-N 2 2 361.489 3.709 20 0 FHADLP c1ccc(-n2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c3c2CCC3)cc1 ZINC000422948295 943345546 /nfs/dbraw/zinc/34/55/46/943345546.db2.gz RBBXLWDRMMAQOI-HMXCVIKNSA-N 2 2 364.537 3.761 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccc1OCCC(C)C ZINC000422949614 943346774 /nfs/dbraw/zinc/34/67/74/943346774.db2.gz UOWXDFMIDJHKIQ-JENIJYKNSA-N 2 2 364.530 3.538 20 0 FHADLP CCN(CC)c1ccc(N[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000422978061 943356606 /nfs/dbraw/zinc/35/66/06/943356606.db2.gz GQVSQXQKLACSHM-GHTZIAJQSA-N 2 2 352.482 3.596 20 0 FHADLP CCN(CC)c1ccc(N[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000422978063 943356680 /nfs/dbraw/zinc/35/66/80/943356680.db2.gz GQVSQXQKLACSHM-RXVVDRJESA-N 2 2 352.482 3.596 20 0 FHADLP CCN(CC)c1ccc(N[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c[nH+]1 ZINC000422978064 943356719 /nfs/dbraw/zinc/35/67/19/943356719.db2.gz GQVSQXQKLACSHM-WIYYLYMNSA-N 2 2 352.482 3.596 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cccc(NC(=O)c3ccccc3Cl)c2)CC1 ZINC000435391989 943378622 /nfs/dbraw/zinc/37/86/22/943378622.db2.gz ZCIMYQJROSLGAN-UHFFFAOYSA-N 2 2 357.885 3.776 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2ccc(Oc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000435395826 943381024 /nfs/dbraw/zinc/38/10/24/943381024.db2.gz SNQVDCOWXPNINM-UHFFFAOYSA-N 2 2 356.466 3.680 20 0 FHADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1OCc1ccccc1 ZINC000423103200 943395406 /nfs/dbraw/zinc/39/54/06/943395406.db2.gz KXYKXBAAYPTYMN-XMSQKQJNSA-N 2 2 361.489 3.709 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])N(C)C)cc1 ZINC000423127859 943399570 /nfs/dbraw/zinc/39/95/70/943399570.db2.gz PTAADZFSTOYVEQ-LEOXJPRUSA-N 2 2 369.553 3.625 20 0 FHADLP CC(C)c1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435429774 943408091 /nfs/dbraw/zinc/40/80/91/943408091.db2.gz ZLOBVCMWYBNQOM-FQEVSTJZSA-N 2 2 352.526 3.688 20 0 FHADLP CC(C)c1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435429774 943408094 /nfs/dbraw/zinc/40/80/94/943408094.db2.gz ZLOBVCMWYBNQOM-FQEVSTJZSA-N 2 2 352.526 3.688 20 0 FHADLP Cc1oc2ccccc2c1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431610 943409630 /nfs/dbraw/zinc/40/96/30/943409630.db2.gz DZISIRMEJNBKAZ-HXUWFJFHSA-N 2 2 364.493 3.619 20 0 FHADLP Cc1oc2ccccc2c1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431610 943409633 /nfs/dbraw/zinc/40/96/33/943409633.db2.gz DZISIRMEJNBKAZ-HXUWFJFHSA-N 2 2 364.493 3.619 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435447328 943423294 /nfs/dbraw/zinc/42/32/94/943423294.db2.gz OUMIQHUZIBFVAI-XTKXOIQPSA-N 2 2 357.523 3.585 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435447328 943423297 /nfs/dbraw/zinc/42/32/97/943423297.db2.gz OUMIQHUZIBFVAI-XTKXOIQPSA-N 2 2 357.523 3.585 20 0 FHADLP COc1ccc([C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1O ZINC000515020783 943449585 /nfs/dbraw/zinc/44/95/85/943449585.db2.gz PHZRAHVZOTXPFC-INIZCTEOSA-N 2 2 351.450 3.539 20 0 FHADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(I)cc1 ZINC000423245220 943457494 /nfs/dbraw/zinc/45/74/94/943457494.db2.gz OGLOPQIFPATOIH-LRDDRELGSA-N 2 2 366.246 3.642 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423248686 943458618 /nfs/dbraw/zinc/45/86/18/943458618.db2.gz RYJCDVCLRQMZSW-UZLBHIALSA-N 2 2 354.498 3.911 20 0 FHADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423358949 943490640 /nfs/dbraw/zinc/49/06/40/943490640.db2.gz CMTDFKQBDGGWLH-NQYLQCIDSA-N 2 2 360.448 3.640 20 0 FHADLP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000504099609 943499421 /nfs/dbraw/zinc/49/94/21/943499421.db2.gz XPAUNZXLQOOHSF-UHFFFAOYSA-N 2 2 357.461 3.920 20 0 FHADLP FC(F)(F)c1ccc(Br)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000515096894 943502226 /nfs/dbraw/zinc/50/22/26/943502226.db2.gz YELBRCSKDWDBSK-NSHDSACASA-N 2 2 374.204 3.838 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(SCC(F)(F)F)cc2)CCC[NH2+]1 ZINC000423423098 943505619 /nfs/dbraw/zinc/50/56/19/943505619.db2.gz KSZNRUXHZFNYPL-CZUORRHYSA-N 2 2 362.461 3.760 20 0 FHADLP Fc1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2Cl)cc1 ZINC000423492949 943535675 /nfs/dbraw/zinc/53/56/75/943535675.db2.gz PCKMXHOWFKOFSQ-YLJYHZDGSA-N 2 2 362.876 3.731 20 0 FHADLP Fc1ccc([C@H](CCSc2ccccc2)[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423524309 943546636 /nfs/dbraw/zinc/54/66/36/943546636.db2.gz OGHHGQBHWANIDP-ICSRJNTNSA-N 2 2 360.498 3.627 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693281 943560929 /nfs/dbraw/zinc/56/09/29/943560929.db2.gz IMKKPMXUZCBLPG-KURKYZTESA-N 2 2 363.571 3.683 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693281 943560932 /nfs/dbraw/zinc/56/09/32/943560932.db2.gz IMKKPMXUZCBLPG-KURKYZTESA-N 2 2 363.571 3.683 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3COCc4ccccc43)CC2)cc1 ZINC000417414989 943596505 /nfs/dbraw/zinc/59/65/05/943596505.db2.gz YRZLCXJTOLZSSL-QFIPXVFZSA-N 2 2 354.469 3.694 20 0 FHADLP CC[N@H+](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1Cl ZINC000423979461 943668937 /nfs/dbraw/zinc/66/89/37/943668937.db2.gz XSELHPGXPISSRA-FQEVSTJZSA-N 2 2 373.928 3.758 20 0 FHADLP CC[N@@H+](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccccc1Cl ZINC000423979461 943668940 /nfs/dbraw/zinc/66/89/40/943668940.db2.gz XSELHPGXPISSRA-FQEVSTJZSA-N 2 2 373.928 3.758 20 0 FHADLP Cc1cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2)c(OCc2ccccc2)n1 ZINC000558102356 943843146 /nfs/dbraw/zinc/84/31/46/943843146.db2.gz CANCMNFQQRXVCO-UHFFFAOYSA-N 2 2 364.493 3.996 20 0 FHADLP Cc1cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2)c(OCc2ccccc2)n1 ZINC000558102356 943843152 /nfs/dbraw/zinc/84/31/52/943843152.db2.gz CANCMNFQQRXVCO-UHFFFAOYSA-N 2 2 364.493 3.996 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977867 943876691 /nfs/dbraw/zinc/87/66/91/943876691.db2.gz AINMNTDGELBPOQ-AEFFLSMTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977867 943876696 /nfs/dbraw/zinc/87/66/96/943876696.db2.gz AINMNTDGELBPOQ-AEFFLSMTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977867 943876700 /nfs/dbraw/zinc/87/67/00/943876700.db2.gz AINMNTDGELBPOQ-AEFFLSMTSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977867 943876706 /nfs/dbraw/zinc/87/67/06/943876706.db2.gz AINMNTDGELBPOQ-AEFFLSMTSA-N 2 2 361.555 3.732 20 0 FHADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC12CCOCC2 ZINC000414787177 943901504 /nfs/dbraw/zinc/90/15/04/943901504.db2.gz VGIYMGAVZHJLDC-CQSZACIVSA-N 2 2 362.823 3.546 20 0 FHADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)CC12CCOCC2 ZINC000414787177 943901509 /nfs/dbraw/zinc/90/15/09/943901509.db2.gz VGIYMGAVZHJLDC-CQSZACIVSA-N 2 2 362.823 3.546 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@@H](C)C1 ZINC000660306119 943944636 /nfs/dbraw/zinc/94/46/36/943944636.db2.gz OPABOESCNQGQHZ-YOEHRIQHSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2OC(F)F)[C@@H](C)C1 ZINC000660306119 943944640 /nfs/dbraw/zinc/94/46/40/943944640.db2.gz OPABOESCNQGQHZ-YOEHRIQHSA-N 2 2 374.447 3.654 20 0 FHADLP Clc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(Br)c1 ZINC000414878054 944008310 /nfs/dbraw/zinc/00/83/10/944008310.db2.gz NBXFZVUGKAGOII-UHFFFAOYSA-N 2 2 368.706 3.767 20 0 FHADLP CCOc1cccc2cc([C@H](C)Nc3ccc(N4CC[NH2+]CC4)c[nH+]3)oc21 ZINC000517123113 944028101 /nfs/dbraw/zinc/02/81/01/944028101.db2.gz SCLRWHHWKRPISO-HNNXBMFYSA-N 2 2 366.465 3.809 20 0 FHADLP COC(=O)[C@@H](CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000425463207 944029290 /nfs/dbraw/zinc/02/92/90/944029290.db2.gz VTPUHVHQNBPSGQ-UTKZUKDTSA-N 2 2 363.461 3.870 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000468743958 944052916 /nfs/dbraw/zinc/05/29/16/944052916.db2.gz OUSOFNLKNFWRLF-AEFFLSMTSA-N 2 2 357.523 3.568 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3ccncc3)c2)cc1 ZINC000414882680 944222657 /nfs/dbraw/zinc/22/26/57/944222657.db2.gz MJZUAWQQBKRCMV-DNQXCXABSA-N 2 2 373.500 3.993 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000191980754 944262088 /nfs/dbraw/zinc/26/20/88/944262088.db2.gz KXYMTJMMDDTWQN-QGZVFWFLSA-N 2 2 370.497 3.527 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000191980754 944262097 /nfs/dbraw/zinc/26/20/97/944262097.db2.gz KXYMTJMMDDTWQN-QGZVFWFLSA-N 2 2 370.497 3.527 20 0 FHADLP Cc1noc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836497 944360933 /nfs/dbraw/zinc/36/09/33/944360933.db2.gz KPPDENRSWZSVPT-HXUWFJFHSA-N 2 2 354.498 3.501 20 0 FHADLP Cc1noc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000664836497 944360942 /nfs/dbraw/zinc/36/09/42/944360942.db2.gz KPPDENRSWZSVPT-HXUWFJFHSA-N 2 2 354.498 3.501 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CC[NH+](C(C)C)CC1 ZINC000303940533 944361020 /nfs/dbraw/zinc/36/10/20/944361020.db2.gz XGMLJHCVUSBIHP-UHFFFAOYSA-N 2 2 355.482 3.559 20 0 FHADLP CC(C)Oc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425949860 944362684 /nfs/dbraw/zinc/36/26/84/944362684.db2.gz JPQTYXUFSFAQTP-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425949860 944362693 /nfs/dbraw/zinc/36/26/93/944362693.db2.gz JPQTYXUFSFAQTP-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425949860 944362701 /nfs/dbraw/zinc/36/27/01/944362701.db2.gz JPQTYXUFSFAQTP-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425949860 944362710 /nfs/dbraw/zinc/36/27/10/944362710.db2.gz JPQTYXUFSFAQTP-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP Brc1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C2CC2)s1 ZINC000439146900 944379100 /nfs/dbraw/zinc/37/91/00/944379100.db2.gz OJCFRZWGSIYNPS-ABAIWWIYSA-N 2 2 352.301 3.763 20 0 FHADLP CC(C)Oc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957040 944399353 /nfs/dbraw/zinc/39/93/53/944399353.db2.gz GYHVZNMWYHDYOD-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425957040 944399359 /nfs/dbraw/zinc/39/93/59/944399359.db2.gz GYHVZNMWYHDYOD-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425957040 944399363 /nfs/dbraw/zinc/39/93/63/944399363.db2.gz GYHVZNMWYHDYOD-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425957040 944399368 /nfs/dbraw/zinc/39/93/68/944399368.db2.gz GYHVZNMWYHDYOD-QHCPKHFHSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000364344727 944407428 /nfs/dbraw/zinc/40/74/28/944407428.db2.gz ARPRQUHZLXTIKJ-LJQANCHMSA-N 2 2 374.573 3.928 20 0 FHADLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000364344727 944407431 /nfs/dbraw/zinc/40/74/31/944407431.db2.gz ARPRQUHZLXTIKJ-LJQANCHMSA-N 2 2 374.573 3.928 20 0 FHADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838936 944445762 /nfs/dbraw/zinc/44/57/62/944445762.db2.gz VTULVWJNMUXQOV-JOCHJYFZSA-N 3 2 366.553 3.585 20 0 FHADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664838936 944445763 /nfs/dbraw/zinc/44/57/63/944445763.db2.gz VTULVWJNMUXQOV-JOCHJYFZSA-N 3 2 366.553 3.585 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000194059221 944599861 /nfs/dbraw/zinc/59/98/61/944599861.db2.gz YCOQSRNGAFGKPA-YPAWHYETSA-N 2 2 369.553 3.659 20 0 FHADLP Oc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc(C(F)(F)F)c1 ZINC000517786307 944627306 /nfs/dbraw/zinc/62/73/06/944627306.db2.gz UEBYWXJOZOYAIF-UHFFFAOYSA-N 2 2 361.367 3.946 20 0 FHADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC000518790971 944773978 /nfs/dbraw/zinc/77/39/78/944773978.db2.gz SJPXKQUDTLRFSY-OAHLLOKOSA-N 2 2 358.448 3.677 20 0 FHADLP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188796 944818512 /nfs/dbraw/zinc/81/85/12/944818512.db2.gz CMFIDQWMGXRSHV-OAQYLSRUSA-N 2 2 374.488 3.647 20 0 FHADLP c1cc([C@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cs1 ZINC000093768678 944887705 /nfs/dbraw/zinc/88/77/05/944887705.db2.gz FFCLLDQQUKUYDG-OAQYLSRUSA-N 2 2 372.534 3.796 20 0 FHADLP c1cc([C@H]2C[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CCO2)cs1 ZINC000093768678 944887708 /nfs/dbraw/zinc/88/77/08/944887708.db2.gz FFCLLDQQUKUYDG-OAQYLSRUSA-N 2 2 372.534 3.796 20 0 FHADLP CC[NH+](CC)[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1ccccc1 ZINC000518883633 944902840 /nfs/dbraw/zinc/90/28/40/944902840.db2.gz KASXMVFAIRBSFV-LJQANCHMSA-N 2 2 353.514 3.962 20 0 FHADLP C[C@@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000414944075 944947061 /nfs/dbraw/zinc/94/70/61/944947061.db2.gz NEYOVHXTRRHZKD-HNNXBMFYSA-N 2 2 354.885 3.689 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415004983 945008229 /nfs/dbraw/zinc/00/82/29/945008229.db2.gz OMSQXMPEMNNFBZ-SWUCNREESA-N 3 2 367.512 3.602 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000437135129 945046868 /nfs/dbraw/zinc/04/68/68/945046868.db2.gz GQZVWQMVRIQNTI-OAQYLSRUSA-N 2 2 360.461 3.898 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cn1 ZINC000437135129 945046877 /nfs/dbraw/zinc/04/68/77/945046877.db2.gz GQZVWQMVRIQNTI-OAQYLSRUSA-N 2 2 360.461 3.898 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000437130083 945059018 /nfs/dbraw/zinc/05/90/18/945059018.db2.gz SZPHYDYLBSHPOA-FQEVSTJZSA-N 2 2 350.510 3.767 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000437130083 945059024 /nfs/dbraw/zinc/05/90/24/945059024.db2.gz SZPHYDYLBSHPOA-FQEVSTJZSA-N 2 2 350.510 3.767 20 0 FHADLP CC[N@@H+](Cc1cc2cnccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000651643683 945507915 /nfs/dbraw/zinc/50/79/15/945507915.db2.gz LKFJXSKJIGBMFD-UHFFFAOYSA-N 2 2 350.466 3.961 20 0 FHADLP CC[N@H+](Cc1cc2cnccc2o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000651643683 945507917 /nfs/dbraw/zinc/50/79/17/945507917.db2.gz LKFJXSKJIGBMFD-UHFFFAOYSA-N 2 2 350.466 3.961 20 0 FHADLP CC1(C)C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)c2cc(N)ccc2O1 ZINC000415042280 945510756 /nfs/dbraw/zinc/51/07/56/945510756.db2.gz UUMINZZAQYXXQX-SFHVURJKSA-N 2 2 352.482 3.525 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633324 945601796 /nfs/dbraw/zinc/60/17/96/945601796.db2.gz DJYKZCUEWAGXQK-REWPJTCUSA-N 2 2 365.521 3.814 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633324 945601807 /nfs/dbraw/zinc/60/18/07/945601807.db2.gz DJYKZCUEWAGXQK-REWPJTCUSA-N 2 2 365.521 3.814 20 0 FHADLP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(OCc2cccnc2)c1 ZINC000443983431 945680004 /nfs/dbraw/zinc/68/00/04/945680004.db2.gz HPWVMQHMABEZCX-UHFFFAOYSA-N 2 2 369.509 3.632 20 0 FHADLP C[N@H+](CCSCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192614712 945740363 /nfs/dbraw/zinc/74/03/63/945740363.db2.gz PHSPBZSJUVLCTA-UHFFFAOYSA-N 2 2 369.578 3.954 20 0 FHADLP C[N@@H+](CCSCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192614712 945740370 /nfs/dbraw/zinc/74/03/70/945740370.db2.gz PHSPBZSJUVLCTA-UHFFFAOYSA-N 2 2 369.578 3.954 20 0 FHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1sccc1Br ZINC000519762599 945741788 /nfs/dbraw/zinc/74/17/88/945741788.db2.gz JDDLOIHRIFZUNQ-LBPRGKRZSA-N 2 2 354.317 3.736 20 0 FHADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045053687 945914600 /nfs/dbraw/zinc/91/46/00/945914600.db2.gz VNAMUOJBSCMTRY-GOSISDBHSA-N 2 2 366.490 3.501 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647131 945941088 /nfs/dbraw/zinc/94/10/88/945941088.db2.gz JICGKRFQKRRNGG-IRLDBZIGSA-N 3 2 358.574 3.538 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164647131 945941094 /nfs/dbraw/zinc/94/10/94/945941094.db2.gz JICGKRFQKRRNGG-IRLDBZIGSA-N 3 2 358.574 3.538 20 0 FHADLP C[N@@H+]1CCC[C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301809493 945979271 /nfs/dbraw/zinc/97/92/71/945979271.db2.gz CXTATAAZKRFYJQ-HNAYVOBHSA-N 2 2 357.527 3.855 20 0 FHADLP C[N@H+]1CCC[C@@H](CNc2cc(NCC3CC3)[nH+]cn2)[C@@H]1c1cccs1 ZINC000301809493 945979281 /nfs/dbraw/zinc/97/92/81/945979281.db2.gz CXTATAAZKRFYJQ-HNAYVOBHSA-N 2 2 357.527 3.855 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000522847444 945985062 /nfs/dbraw/zinc/98/50/62/945985062.db2.gz SVKDJPJVHHLVOX-HXUWFJFHSA-N 2 2 374.488 3.575 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000522847444 945985071 /nfs/dbraw/zinc/98/50/71/945985071.db2.gz SVKDJPJVHHLVOX-HXUWFJFHSA-N 2 2 374.488 3.575 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301821013 945985765 /nfs/dbraw/zinc/98/57/65/945985765.db2.gz JVACTUVLNYVVBP-MRXNPFEDSA-N 2 2 351.498 3.936 20 0 FHADLP CC[N@H+](CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])Cc1ccccc1Cl ZINC000662893450 946300414 /nfs/dbraw/zinc/30/04/14/946300414.db2.gz LPNHMSJDJUDSRL-VQIMIIECSA-N 2 2 365.949 3.528 20 0 FHADLP CC[N@@H+](CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+])Cc1ccccc1Cl ZINC000662893450 946300421 /nfs/dbraw/zinc/30/04/21/946300421.db2.gz LPNHMSJDJUDSRL-VQIMIIECSA-N 2 2 365.949 3.528 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251479 946345174 /nfs/dbraw/zinc/34/51/74/946345174.db2.gz SYOSIHUGCSVBGU-KYJSFNMBSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251479 946345186 /nfs/dbraw/zinc/34/51/86/946345186.db2.gz SYOSIHUGCSVBGU-KYJSFNMBSA-N 2 2 373.324 3.556 20 0 FHADLP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475160490 946527761 /nfs/dbraw/zinc/52/77/61/946527761.db2.gz XONSOQYFUPHYSH-SFHVURJKSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475160490 946527769 /nfs/dbraw/zinc/52/77/69/946527769.db2.gz XONSOQYFUPHYSH-SFHVURJKSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@H](Cc1ccccc1)[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000475160490 946527777 /nfs/dbraw/zinc/52/77/77/946527777.db2.gz XONSOQYFUPHYSH-SFHVURJKSA-N 2 2 373.566 3.599 20 0 FHADLP COC[C@H](Cc1ccccc1)[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000475160490 946527786 /nfs/dbraw/zinc/52/77/86/946527786.db2.gz XONSOQYFUPHYSH-SFHVURJKSA-N 2 2 373.566 3.599 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC([C@@H]4CCCCO4)CC3)C2)cc1 ZINC000661864847 946791901 /nfs/dbraw/zinc/79/19/01/946791901.db2.gz DLCWRQJTZVVWOL-PKTZIBPZSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC([C@@H]4CCCCO4)CC3)C2)cc1 ZINC000661864847 946791910 /nfs/dbraw/zinc/79/19/10/946791910.db2.gz DLCWRQJTZVVWOL-PKTZIBPZSA-N 2 2 372.553 3.559 20 0 FHADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123697334 946877686 /nfs/dbraw/zinc/87/76/86/946877686.db2.gz LTEJTCGAFVFVSC-AWEZNQCLSA-N 2 2 366.431 3.692 20 0 FHADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123697334 946877699 /nfs/dbraw/zinc/87/76/99/946877699.db2.gz LTEJTCGAFVFVSC-AWEZNQCLSA-N 2 2 366.431 3.692 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475358812 946943885 /nfs/dbraw/zinc/94/38/85/946943885.db2.gz BAIQCLHTVQGRDX-BGYRXZFFSA-N 2 2 362.477 3.542 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475358812 946943892 /nfs/dbraw/zinc/94/38/92/946943892.db2.gz BAIQCLHTVQGRDX-BGYRXZFFSA-N 2 2 362.477 3.542 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475358812 946943898 /nfs/dbraw/zinc/94/38/98/946943898.db2.gz BAIQCLHTVQGRDX-BGYRXZFFSA-N 2 2 362.477 3.542 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000475358812 946943905 /nfs/dbraw/zinc/94/39/05/946943905.db2.gz BAIQCLHTVQGRDX-BGYRXZFFSA-N 2 2 362.477 3.542 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929850 947108485 /nfs/dbraw/zinc/10/84/85/947108485.db2.gz NHKBFHBOFOSMBV-QHCPKHFHSA-N 3 2 363.549 3.763 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000192929850 947108503 /nfs/dbraw/zinc/10/85/03/947108503.db2.gz NHKBFHBOFOSMBV-QHCPKHFHSA-N 3 2 363.549 3.763 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2ccc(Br)cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301185859 947221479 /nfs/dbraw/zinc/22/14/79/947221479.db2.gz JSBJZDBRPYGRHJ-CHWSQXEVSA-N 2 2 364.287 3.518 20 0 FHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000523419346 947249564 /nfs/dbraw/zinc/24/95/64/947249564.db2.gz AYPGMYOPAJQXKC-INIZCTEOSA-N 2 2 357.502 3.665 20 0 FHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000523419346 947249573 /nfs/dbraw/zinc/24/95/73/947249573.db2.gz AYPGMYOPAJQXKC-INIZCTEOSA-N 2 2 357.502 3.665 20 0 FHADLP C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000188507030 947277277 /nfs/dbraw/zinc/27/72/77/947277277.db2.gz RQEHJZYOOWTXNC-HNNXBMFYSA-N 2 2 366.431 3.797 20 0 FHADLP Cc1nc(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c(C)[nH+]1 ZINC000301443132 947344588 /nfs/dbraw/zinc/34/45/88/947344588.db2.gz OAAAWZUSVHTHIO-GASCZTMLSA-N 2 2 354.498 3.623 20 0 FHADLP Cc1nc(NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(C)c(C)[nH+]1 ZINC000301443132 947344603 /nfs/dbraw/zinc/34/46/03/947344603.db2.gz OAAAWZUSVHTHIO-GASCZTMLSA-N 2 2 354.498 3.623 20 0 FHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221786706 947599762 /nfs/dbraw/zinc/59/97/62/947599762.db2.gz ZJYWCJLYQWJQFJ-UHFFFAOYSA-N 2 2 365.262 3.870 20 0 FHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000221786706 947599783 /nfs/dbraw/zinc/59/97/83/947599783.db2.gz ZJYWCJLYQWJQFJ-UHFFFAOYSA-N 2 2 365.262 3.870 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331023 947751878 /nfs/dbraw/zinc/75/18/78/947751878.db2.gz FEUYCPQOENOOAY-RZMWZJFBSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331023 947751890 /nfs/dbraw/zinc/75/18/90/947751890.db2.gz FEUYCPQOENOOAY-RZMWZJFBSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331023 947751901 /nfs/dbraw/zinc/75/19/01/947751901.db2.gz FEUYCPQOENOOAY-RZMWZJFBSA-N 2 2 362.517 3.899 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC4CC3(c3ccccc3)C4)C2)cc1 ZINC000662331023 947751914 /nfs/dbraw/zinc/75/19/14/947751914.db2.gz FEUYCPQOENOOAY-RZMWZJFBSA-N 2 2 362.517 3.899 20 0 FHADLP OC(C[NH+]1CC2CC1(c1ccccc1)C2)C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662330816 947752344 /nfs/dbraw/zinc/75/23/44/947752344.db2.gz IFWTWLFMQPEPMR-UHFFFAOYSA-N 2 2 374.528 3.590 20 0 FHADLP OC(C[NH+]1CC2CC1(c1ccccc1)C2)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662330816 947752353 /nfs/dbraw/zinc/75/23/53/947752353.db2.gz IFWTWLFMQPEPMR-UHFFFAOYSA-N 2 2 374.528 3.590 20 0 FHADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCS2 ZINC000663436775 948014092 /nfs/dbraw/zinc/01/40/92/948014092.db2.gz IUMWMIVDYZWOBJ-AWEZNQCLSA-N 2 2 352.301 3.862 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469867 948064198 /nfs/dbraw/zinc/06/41/98/948064198.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469867 948064205 /nfs/dbraw/zinc/06/42/05/948064205.db2.gz RGKCXVAMOGKZIR-YLJYHZDGSA-N 3 2 352.526 3.953 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001167821042 948073702 /nfs/dbraw/zinc/07/37/02/948073702.db2.gz ACHQNDHMXYRRCE-ROUUACIJSA-N 2 2 362.562 3.697 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001167821042 948073712 /nfs/dbraw/zinc/07/37/12/948073712.db2.gz ACHQNDHMXYRRCE-ROUUACIJSA-N 2 2 362.562 3.697 20 0 FHADLP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498650 948115012 /nfs/dbraw/zinc/11/50/12/948115012.db2.gz SAHVFOCUJLGAEF-UHFFFAOYSA-N 2 2 358.489 3.689 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)ccc1OC(F)F ZINC000925786174 948164215 /nfs/dbraw/zinc/16/42/15/948164215.db2.gz WLTJJNJDEYZYMA-ZJUUUORDSA-N 2 2 354.775 3.837 20 0 FHADLP COCCSc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512008710 948172321 /nfs/dbraw/zinc/17/23/21/948172321.db2.gz NIXUYAQYXABNKW-CQSZACIVSA-N 2 2 365.568 3.794 20 0 FHADLP Cc1cc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c2cccnc2)ccc1F ZINC000432408324 948351936 /nfs/dbraw/zinc/35/19/36/948351936.db2.gz BAALPQJKRWIBMQ-GCJKJVERSA-N 2 2 371.500 3.709 20 0 FHADLP Cc1cc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2cccnc2)ccc1F ZINC000432408324 948351946 /nfs/dbraw/zinc/35/19/46/948351946.db2.gz BAALPQJKRWIBMQ-GCJKJVERSA-N 2 2 371.500 3.709 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427853 948393308 /nfs/dbraw/zinc/39/33/08/948393308.db2.gz GBDOCNXRUAJLDE-SJORKVTESA-N 2 2 359.539 3.962 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427853 948393314 /nfs/dbraw/zinc/39/33/14/948393314.db2.gz GBDOCNXRUAJLDE-SJORKVTESA-N 2 2 359.539 3.962 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449322 948449393 /nfs/dbraw/zinc/44/93/93/948449393.db2.gz VDHHCFAFEMBDED-ZIAGYGMSSA-N 2 2 360.420 3.579 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1OC(F)F ZINC000432449322 948449400 /nfs/dbraw/zinc/44/94/00/948449400.db2.gz VDHHCFAFEMBDED-ZIAGYGMSSA-N 2 2 360.420 3.579 20 0 FHADLP CO[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)Cc1ccccc1 ZINC000639121386 948768116 /nfs/dbraw/zinc/76/81/16/948768116.db2.gz OKBYEIBHSKDSIP-CTWPCTMYSA-N 2 2 370.459 3.639 20 0 FHADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)CCO1 ZINC000275534314 527512612 /nfs/dbraw/zinc/51/26/12/527512612.db2.gz MEKCHBYUOLNEKY-KSSFIOAISA-N 2 2 356.857 3.632 20 0 FHADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601863811 567866845 /nfs/dbraw/zinc/86/68/45/567866845.db2.gz HPCOELTVQNXAQS-QGZVFWFLSA-N 2 2 354.454 3.868 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)n1 ZINC000601929828 567878731 /nfs/dbraw/zinc/87/87/31/567878731.db2.gz CDOYCXNTGBQUNM-JKSUJKDBSA-N 2 2 371.481 3.686 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000601929828 567878733 /nfs/dbraw/zinc/87/87/33/567878733.db2.gz CDOYCXNTGBQUNM-JKSUJKDBSA-N 2 2 371.481 3.686 20 0 FHADLP Brc1cncc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000186576929 567952923 /nfs/dbraw/zinc/95/29/23/567952923.db2.gz QZMGAEDMFDEOHT-GOSISDBHSA-N 2 2 360.299 3.771 20 0 FHADLP Brc1cncc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000186576949 567952935 /nfs/dbraw/zinc/95/29/35/567952935.db2.gz QZMGAEDMFDEOHT-SFHVURJKSA-N 2 2 360.299 3.771 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602709977 568018730 /nfs/dbraw/zinc/01/87/30/568018730.db2.gz UDKBNFBPVGZRKB-XRFLHGNBSA-N 2 2 360.567 3.634 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000602709977 568018732 /nfs/dbraw/zinc/01/87/32/568018732.db2.gz UDKBNFBPVGZRKB-XRFLHGNBSA-N 2 2 360.567 3.634 20 0 FHADLP CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469853 568102957 /nfs/dbraw/zinc/10/29/57/568102957.db2.gz SRWPNGSVSMWDBE-UXHICEINSA-N 2 2 363.590 3.658 20 0 FHADLP CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469853 568102958 /nfs/dbraw/zinc/10/29/58/568102958.db2.gz SRWPNGSVSMWDBE-UXHICEINSA-N 2 2 363.590 3.658 20 0 FHADLP C[C@@H](NC(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000603898885 568179391 /nfs/dbraw/zinc/17/93/91/568179391.db2.gz JSYCXTUFOSVVJM-CQSZACIVSA-N 2 2 373.884 3.987 20 0 FHADLP Fc1ccc(Br)c(F)c1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000563135373 568267765 /nfs/dbraw/zinc/26/77/65/568267765.db2.gz LILKQAHJTLWDOY-GFCCVEGCSA-N 2 2 359.258 3.549 20 0 FHADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135509 568267914 /nfs/dbraw/zinc/26/79/14/568267914.db2.gz LVVVSNBINSANDF-JKSUJKDBSA-N 2 2 352.906 3.569 20 0 FHADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000563135509 568267915 /nfs/dbraw/zinc/26/79/15/568267915.db2.gz LVVVSNBINSANDF-JKSUJKDBSA-N 2 2 352.906 3.569 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660537618 568272363 /nfs/dbraw/zinc/27/23/63/568272363.db2.gz VNBHFJWNQNYHTG-QDMKHBRRSA-N 2 2 364.287 3.787 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)C[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660537618 568272365 /nfs/dbraw/zinc/27/23/65/568272365.db2.gz VNBHFJWNQNYHTG-QDMKHBRRSA-N 2 2 364.287 3.787 20 0 FHADLP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC000604414714 568279577 /nfs/dbraw/zinc/27/95/77/568279577.db2.gz OUGLHLRXELGKHM-HOTGVXAUSA-N 2 2 360.473 3.983 20 0 FHADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050539 568282233 /nfs/dbraw/zinc/28/22/33/568282233.db2.gz RKWNPUKYVWVVNK-UHFFFAOYSA-N 2 2 374.488 3.788 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365242400 568353684 /nfs/dbraw/zinc/35/36/84/568353684.db2.gz UPSDEUKEVVJLJK-IRXDYDNUSA-N 2 2 352.438 3.622 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365242400 568353685 /nfs/dbraw/zinc/35/36/85/568353685.db2.gz UPSDEUKEVVJLJK-IRXDYDNUSA-N 2 2 352.438 3.622 20 0 FHADLP CCCn1cc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cn1 ZINC000604891390 568381844 /nfs/dbraw/zinc/38/18/44/568381844.db2.gz BHQSVVSMNGYRGC-NRFANRHFSA-N 2 2 354.542 3.856 20 0 FHADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000605128853 568575975 /nfs/dbraw/zinc/57/59/75/568575975.db2.gz UEIJFOHBLMYKMJ-KRWDZBQOSA-N 2 2 354.498 3.503 20 0 FHADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000605128853 568575973 /nfs/dbraw/zinc/57/59/73/568575973.db2.gz UEIJFOHBLMYKMJ-KRWDZBQOSA-N 2 2 354.498 3.503 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000643292226 568596254 /nfs/dbraw/zinc/59/62/54/568596254.db2.gz RMVBTVDVPXCXFO-GBESFXJTSA-N 2 2 372.944 3.772 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000643292226 568596255 /nfs/dbraw/zinc/59/62/55/568596255.db2.gz RMVBTVDVPXCXFO-GBESFXJTSA-N 2 2 372.944 3.772 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816497 720113690 /nfs/dbraw/zinc/11/36/90/720113690.db2.gz ZGOZFRBDFKNHMP-NFBKMPQASA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3ccc(C)cc31)C2 ZINC001164816497 720113695 /nfs/dbraw/zinc/11/36/95/720113695.db2.gz ZGOZFRBDFKNHMP-NFBKMPQASA-N 2 2 365.521 3.728 20 0 FHADLP Cc1cccc2cc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164780889 721433012 /nfs/dbraw/zinc/43/30/12/721433012.db2.gz AYSYWLCDGAWSAZ-IAGOWNOFSA-N 2 2 350.491 3.568 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165030201 721824345 /nfs/dbraw/zinc/82/43/45/721824345.db2.gz YTZTWQCZNHALJG-FFZOFVMBSA-N 2 2 368.550 3.935 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165030201 721824346 /nfs/dbraw/zinc/82/43/46/721824346.db2.gz YTZTWQCZNHALJG-FFZOFVMBSA-N 2 2 368.550 3.935 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CN1Cc1ccccc1 ZINC000583051163 937080252 /nfs/dbraw/zinc/08/02/52/937080252.db2.gz CIRAEOPLXKDZIB-CVDCTZTESA-N 2 2 360.505 3.684 20 0 FHADLP CC(C)(C)n1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056727 937084453 /nfs/dbraw/zinc/08/44/53/937084453.db2.gz SROCYOTUGHCGBH-RTWAWAEBSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056727 937084454 /nfs/dbraw/zinc/08/44/54/937084454.db2.gz SROCYOTUGHCGBH-RTWAWAEBSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056727 937084455 /nfs/dbraw/zinc/08/44/55/937084455.db2.gz SROCYOTUGHCGBH-RTWAWAEBSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000583056727 937084456 /nfs/dbraw/zinc/08/44/56/937084456.db2.gz SROCYOTUGHCGBH-RTWAWAEBSA-N 2 2 352.526 3.592 20 0 FHADLP COc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)c1OC ZINC000579756419 927293318 /nfs/dbraw/zinc/29/33/18/927293318.db2.gz KWEAQFJSRSDEKR-UHFFFAOYSA-N 2 2 351.450 3.547 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000246878729 927910972 /nfs/dbraw/zinc/91/09/72/927910972.db2.gz AVMDPQZOBWXUJA-PLMTUMEDSA-N 2 2 374.475 3.983 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)CC[N@H+]1Cc1ccccc1 ZINC000246878729 927910982 /nfs/dbraw/zinc/91/09/82/927910982.db2.gz AVMDPQZOBWXUJA-PLMTUMEDSA-N 2 2 374.475 3.983 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2c(F)cccc2F)CC[NH+]1Cc1ccccc1 ZINC000246878729 927910987 /nfs/dbraw/zinc/91/09/87/927910987.db2.gz AVMDPQZOBWXUJA-PLMTUMEDSA-N 2 2 374.475 3.983 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2c(F)cccc2F)CC[NH+]1Cc1ccccc1 ZINC000246878729 927910996 /nfs/dbraw/zinc/91/09/96/927910996.db2.gz AVMDPQZOBWXUJA-PLMTUMEDSA-N 2 2 374.475 3.983 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000430219411 928251000 /nfs/dbraw/zinc/25/10/00/928251000.db2.gz NAQSUXYSGGLYAA-HNNXBMFYSA-N 2 2 370.946 3.786 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c3ccccc3)ccn12 ZINC000583211821 937242937 /nfs/dbraw/zinc/24/29/37/937242937.db2.gz FAPRDHQHWARSTQ-INIZCTEOSA-N 2 2 350.466 3.502 20 0 FHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179713544 928937583 /nfs/dbraw/zinc/93/75/83/928937583.db2.gz FJRVPVOYVCELAZ-DUFJLWIISA-N 2 2 361.961 3.844 20 0 FHADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179713514 928937947 /nfs/dbraw/zinc/93/79/47/928937947.db2.gz FJRVPVOYVCELAZ-HDAKTPJGSA-N 2 2 361.961 3.844 20 0 FHADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179713514 928937957 /nfs/dbraw/zinc/93/79/57/928937957.db2.gz FJRVPVOYVCELAZ-HDAKTPJGSA-N 2 2 361.961 3.844 20 0 FHADLP CC[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000180244117 929427954 /nfs/dbraw/zinc/42/79/54/929427954.db2.gz BPZQCVOZWRRRCV-QFIPXVFZSA-N 2 2 372.484 3.778 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000312623361 929995343 /nfs/dbraw/zinc/99/53/43/929995343.db2.gz GUZPPKHUUBIIHJ-QXAKKESOSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000312623361 929995347 /nfs/dbraw/zinc/99/53/47/929995347.db2.gz GUZPPKHUUBIIHJ-QXAKKESOSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000312623361 929995349 /nfs/dbraw/zinc/99/53/49/929995349.db2.gz GUZPPKHUUBIIHJ-QXAKKESOSA-N 2 2 368.477 3.581 20 0 FHADLP COC(=O)c1ccc([C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000312623361 929995354 /nfs/dbraw/zinc/99/53/54/929995354.db2.gz GUZPPKHUUBIIHJ-QXAKKESOSA-N 2 2 368.477 3.581 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc4cnccc4c3)[nH+]c2)CC1 ZINC000683749903 930013864 /nfs/dbraw/zinc/01/38/64/930013864.db2.gz CGVLHKHVKJWCRE-UHFFFAOYSA-N 2 2 361.493 3.772 20 0 FHADLP c1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc4cnccc4c3)CC2)cc1 ZINC000683765679 930084742 /nfs/dbraw/zinc/08/47/42/930084742.db2.gz XULNUTUHVFTUIW-UHFFFAOYSA-N 2 2 360.505 3.537 20 0 FHADLP c1cn(Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)c[nH+]1 ZINC000152091538 930124699 /nfs/dbraw/zinc/12/46/99/930124699.db2.gz QUIOSPPESHLMLM-UHFFFAOYSA-N 3 2 352.526 3.818 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089464 930234911 /nfs/dbraw/zinc/23/49/11/930234911.db2.gz FZPBBBLCOATTGJ-AZUAARDMSA-N 2 2 360.461 3.589 20 0 FHADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000580089464 930234915 /nfs/dbraw/zinc/23/49/15/930234915.db2.gz FZPBBBLCOATTGJ-AZUAARDMSA-N 2 2 360.461 3.589 20 0 FHADLP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001167392540 930625575 /nfs/dbraw/zinc/62/55/75/930625575.db2.gz GBHRGKHLHLWHBH-HAGHYFMRSA-N 2 2 372.557 3.774 20 0 FHADLP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001167392544 930625589 /nfs/dbraw/zinc/62/55/89/930625589.db2.gz GBHRGKHLHLWHBH-ZRNYENFQSA-N 2 2 372.557 3.774 20 0 FHADLP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCCC1 ZINC000125598921 930678403 /nfs/dbraw/zinc/67/84/03/930678403.db2.gz OIJOIIAKIQIHLG-LJQANCHMSA-N 3 2 361.549 3.544 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000656255494 930891781 /nfs/dbraw/zinc/89/17/81/930891781.db2.gz NRTJCEIQDJJIKZ-LAUBAEHRSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000656255494 930891789 /nfs/dbraw/zinc/89/17/89/930891789.db2.gz NRTJCEIQDJJIKZ-LAUBAEHRSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000656255494 930891794 /nfs/dbraw/zinc/89/17/94/930891794.db2.gz NRTJCEIQDJJIKZ-LAUBAEHRSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccccc2F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000656255494 930891802 /nfs/dbraw/zinc/89/18/02/930891802.db2.gz NRTJCEIQDJJIKZ-LAUBAEHRSA-N 2 2 368.500 3.769 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000656256710 930896810 /nfs/dbraw/zinc/89/68/10/930896810.db2.gz YHEWJLKXMOHJID-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000656256710 930896815 /nfs/dbraw/zinc/89/68/15/930896815.db2.gz YHEWJLKXMOHJID-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000656256710 930896819 /nfs/dbraw/zinc/89/68/19/930896819.db2.gz YHEWJLKXMOHJID-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000656256710 930896829 /nfs/dbraw/zinc/89/68/29/930896829.db2.gz YHEWJLKXMOHJID-FQEVSTJZSA-N 2 2 352.526 3.653 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC000656261943 930930275 /nfs/dbraw/zinc/93/02/75/930930275.db2.gz NOTNEPNVFIBATL-GFCCVEGCSA-N 2 2 360.255 3.918 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2oc3ccccc3c2Br)C1 ZINC000656261943 930930279 /nfs/dbraw/zinc/93/02/79/930930279.db2.gz NOTNEPNVFIBATL-GFCCVEGCSA-N 2 2 360.255 3.918 20 0 FHADLP c1ccc(C[C@H]2CC[NH+]2C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326558 /nfs/dbraw/zinc/32/65/58/931326558.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[NH+]2C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326575 /nfs/dbraw/zinc/32/65/75/931326575.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[N@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326581 /nfs/dbraw/zinc/32/65/81/931326581.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 2 350.506 3.595 20 0 FHADLP c1ccc(C[C@H]2CC[N@@H+]2C[C@H]2C[NH+](Cc3ccccc3)CCCO2)cc1 ZINC000580907546 931326588 /nfs/dbraw/zinc/32/65/88/931326588.db2.gz ORXYKIDEZLXNBV-DHIUTWEWSA-N 2 2 350.506 3.595 20 0 FHADLP CN(C)C(=O)Sc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000084092113 931421814 /nfs/dbraw/zinc/42/18/14/931421814.db2.gz HRLNLWUJHJREGR-SFHVURJKSA-N 2 2 361.555 3.768 20 0 FHADLP CN(C)C(=O)Sc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000084092113 931421826 /nfs/dbraw/zinc/42/18/26/931421826.db2.gz HRLNLWUJHJREGR-SFHVURJKSA-N 2 2 361.555 3.768 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167442108 931461731 /nfs/dbraw/zinc/46/17/31/931461731.db2.gz BDGSBLKVXFTWIP-YADHBBJMSA-N 2 2 374.569 3.934 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001167442108 931461733 /nfs/dbraw/zinc/46/17/33/931461733.db2.gz BDGSBLKVXFTWIP-YADHBBJMSA-N 2 2 374.569 3.934 20 0 FHADLP COc1cc(F)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1OC ZINC000581256271 931745769 /nfs/dbraw/zinc/74/57/69/931745769.db2.gz YXQRGTZQWZRFIK-UHFFFAOYSA-N 2 2 372.484 3.640 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000430562055 931870844 /nfs/dbraw/zinc/87/08/44/931870844.db2.gz PIGKMUAXZZQHFC-SJLPKXTDSA-N 2 2 372.340 3.620 20 0 FHADLP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574915 931921841 /nfs/dbraw/zinc/92/18/41/931921841.db2.gz USTNEYHZKGRVHY-GHTZIAJQSA-N 2 2 373.566 3.567 20 0 FHADLP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2cccs2)cc1 ZINC000430574915 931921847 /nfs/dbraw/zinc/92/18/47/931921847.db2.gz USTNEYHZKGRVHY-GHTZIAJQSA-N 2 2 373.566 3.567 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432000 932069182 /nfs/dbraw/zinc/06/91/82/932069182.db2.gz FQJMWSPLOKQFGJ-CGTJXYLNSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432000 932069190 /nfs/dbraw/zinc/06/91/90/932069190.db2.gz FQJMWSPLOKQFGJ-CGTJXYLNSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581432000 932069193 /nfs/dbraw/zinc/06/91/93/932069193.db2.gz FQJMWSPLOKQFGJ-CGTJXYLNSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581432000 932069199 /nfs/dbraw/zinc/06/91/99/932069199.db2.gz FQJMWSPLOKQFGJ-CGTJXYLNSA-N 2 2 365.587 3.504 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)c1C ZINC000581438731 932075001 /nfs/dbraw/zinc/07/50/01/932075001.db2.gz ZHRVTGYJYHIENC-FQEVSTJZSA-N 2 2 374.488 3.950 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)c1C ZINC000581438731 932075002 /nfs/dbraw/zinc/07/50/02/932075002.db2.gz ZHRVTGYJYHIENC-FQEVSTJZSA-N 2 2 374.488 3.950 20 0 FHADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000074319603 932260998 /nfs/dbraw/zinc/26/09/98/932260998.db2.gz ZKABBCPTUTXLAF-HNNXBMFYSA-N 2 2 366.937 3.506 20 0 FHADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000074319603 932261003 /nfs/dbraw/zinc/26/10/03/932261003.db2.gz ZKABBCPTUTXLAF-HNNXBMFYSA-N 2 2 366.937 3.506 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccnc3ccccc23)cc1F ZINC000656790739 932422763 /nfs/dbraw/zinc/42/27/63/932422763.db2.gz MJNZWTVKDZNVBA-RXVVDRJESA-N 2 2 365.452 3.618 20 0 FHADLP FC(F)Oc1ccc(Br)c(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000647174316 932528802 /nfs/dbraw/zinc/52/88/02/932528802.db2.gz WMKLMGQFHJGZJQ-UHFFFAOYSA-N 2 2 374.229 3.817 20 0 FHADLP Cc1c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cnn1C(C)C ZINC000276551915 932647985 /nfs/dbraw/zinc/64/79/85/932647985.db2.gz QNBDLZSRUPFRKE-INIZCTEOSA-N 2 2 370.545 3.871 20 0 FHADLP Cc1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000157936440 932668431 /nfs/dbraw/zinc/66/84/31/932668431.db2.gz VXEJPSOQKSBDJC-DENIHFKCSA-N 2 2 350.510 3.765 20 0 FHADLP Cc1ccc(-c2cnn(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000157936440 932668436 /nfs/dbraw/zinc/66/84/36/932668436.db2.gz VXEJPSOQKSBDJC-DENIHFKCSA-N 2 2 350.510 3.765 20 0 FHADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000157936440 932668441 /nfs/dbraw/zinc/66/84/41/932668441.db2.gz VXEJPSOQKSBDJC-DENIHFKCSA-N 2 2 350.510 3.765 20 0 FHADLP Cc1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000157936440 932668446 /nfs/dbraw/zinc/66/84/46/932668446.db2.gz VXEJPSOQKSBDJC-DENIHFKCSA-N 2 2 350.510 3.765 20 0 FHADLP C[C@@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC[NH2+]CC1 ZINC000581822826 932685279 /nfs/dbraw/zinc/68/52/79/932685279.db2.gz RKMLYQFEXGACNE-INIZCTEOSA-N 2 2 364.493 3.566 20 0 FHADLP C[C@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1CC[NH2+]CC1 ZINC000581822827 932685706 /nfs/dbraw/zinc/68/57/06/932685706.db2.gz RKMLYQFEXGACNE-MRXNPFEDSA-N 2 2 364.493 3.566 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336232 933011406 /nfs/dbraw/zinc/01/14/06/933011406.db2.gz CEGOBNNDXMAQNP-QGZVFWFLSA-N 2 2 366.509 3.771 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548336232 933011410 /nfs/dbraw/zinc/01/14/10/933011410.db2.gz CEGOBNNDXMAQNP-QGZVFWFLSA-N 2 2 366.509 3.771 20 0 FHADLP CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000581969169 933141103 /nfs/dbraw/zinc/14/11/03/933141103.db2.gz UHABOJOBYIRFIU-UHFFFAOYSA-N 2 2 354.498 3.601 20 0 FHADLP Brc1ccc2c(c1)[C@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000510707350 933477784 /nfs/dbraw/zinc/47/77/84/933477784.db2.gz WYPOJEMVFLTJSU-QGZVFWFLSA-N 2 2 360.299 3.802 20 0 FHADLP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510782041 933713512 /nfs/dbraw/zinc/71/35/12/933713512.db2.gz QLEVRJNFIDUYRD-JOCHJYFZSA-N 2 2 365.521 3.572 20 0 FHADLP Brc1ccc(C[N@@H+](CCc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510874637 933921317 /nfs/dbraw/zinc/92/13/17/933921317.db2.gz NUUXIFJANVSFKE-UHFFFAOYSA-N 2 2 374.282 3.984 20 0 FHADLP Brc1ccc(C[N@H+](CCc2ccccc2)CCn2cc[nH+]c2)o1 ZINC000510874637 933921323 /nfs/dbraw/zinc/92/13/23/933921323.db2.gz NUUXIFJANVSFKE-UHFFFAOYSA-N 2 2 374.282 3.984 20 0 FHADLP COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1O ZINC000276963405 934144322 /nfs/dbraw/zinc/14/43/22/934144322.db2.gz BGLWDRWOWVSLAU-KRWDZBQOSA-N 2 2 365.477 3.757 20 0 FHADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753076 934170644 /nfs/dbraw/zinc/17/06/44/934170644.db2.gz LHJFXQYTKLGVIU-INIZCTEOSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753076 934170650 /nfs/dbraw/zinc/17/06/50/934170650.db2.gz LHJFXQYTKLGVIU-INIZCTEOSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753076 934170656 /nfs/dbraw/zinc/17/06/56/934170656.db2.gz LHJFXQYTKLGVIU-INIZCTEOSA-N 2 2 356.457 3.850 20 0 FHADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000093753076 934170660 /nfs/dbraw/zinc/17/06/60/934170660.db2.gz LHJFXQYTKLGVIU-INIZCTEOSA-N 2 2 356.457 3.850 20 0 FHADLP Cc1cc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C)c[nH+]1 ZINC000535773432 934362538 /nfs/dbraw/zinc/36/25/38/934362538.db2.gz MSUWKCPYMVJHHE-SFHVURJKSA-N 2 2 358.530 3.629 20 0 FHADLP Cc1cc(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)c[nH+]1 ZINC000535773432 934362546 /nfs/dbraw/zinc/36/25/46/934362546.db2.gz MSUWKCPYMVJHHE-SFHVURJKSA-N 2 2 358.530 3.629 20 0 FHADLP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000535782168 934371842 /nfs/dbraw/zinc/37/18/42/934371842.db2.gz SXTPOWCBOOAFKV-JOCHJYFZSA-N 2 2 358.526 3.695 20 0 FHADLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808440 934415993 /nfs/dbraw/zinc/41/59/93/934415993.db2.gz FXMXDWBHMSWZSR-FPOVZHCZSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808440 934415995 /nfs/dbraw/zinc/41/59/95/934415995.db2.gz FXMXDWBHMSWZSR-FPOVZHCZSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000535808440 934415998 /nfs/dbraw/zinc/41/59/98/934415998.db2.gz FXMXDWBHMSWZSR-FPOVZHCZSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000535808440 934416000 /nfs/dbraw/zinc/41/60/00/934416000.db2.gz FXMXDWBHMSWZSR-FPOVZHCZSA-N 2 2 351.494 3.582 20 0 FHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328720 934656262 /nfs/dbraw/zinc/65/62/62/934656262.db2.gz XNAQJLXVNRASPR-NYVOZVTQSA-N 2 2 371.569 3.586 20 0 FHADLP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328720 934656266 /nfs/dbraw/zinc/65/62/66/934656266.db2.gz XNAQJLXVNRASPR-NYVOZVTQSA-N 2 2 371.569 3.586 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000151008112 934746274 /nfs/dbraw/zinc/74/62/74/934746274.db2.gz CWECWCHTVIPDQS-CZUORRHYSA-N 2 2 353.495 3.684 20 0 FHADLP C[C@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(Br)CC1 ZINC000926332676 934836590 /nfs/dbraw/zinc/83/65/90/934836590.db2.gz XTYICCVHBXDFGP-PKSQDBQZSA-N 2 2 369.269 3.697 20 0 FHADLP CCn1nc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000472079674 934968960 /nfs/dbraw/zinc/96/89/60/934968960.db2.gz JABXSISSISALTC-HXUWFJFHSA-N 2 2 362.521 3.710 20 0 FHADLP CCn1nc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000472079674 934968971 /nfs/dbraw/zinc/96/89/71/934968971.db2.gz JABXSISSISALTC-HXUWFJFHSA-N 2 2 362.521 3.710 20 0 FHADLP O=C(c1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1)N1CCCCC1 ZINC000157153670 935026171 /nfs/dbraw/zinc/02/61/71/935026171.db2.gz BSQSFWMXHBBOQR-JOCHJYFZSA-N 2 2 369.553 3.763 20 0 FHADLP O=C(c1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1)N1CCCCC1 ZINC000157153670 935026178 /nfs/dbraw/zinc/02/61/78/935026178.db2.gz BSQSFWMXHBBOQR-JOCHJYFZSA-N 2 2 369.553 3.763 20 0 FHADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)s2)cc1 ZINC000548635661 935082554 /nfs/dbraw/zinc/08/25/54/935082554.db2.gz HXBJVHKGXKBCTL-CZUORRHYSA-N 2 2 368.506 3.989 20 0 FHADLP Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000582046092 935166262 /nfs/dbraw/zinc/16/62/62/935166262.db2.gz LPIOYCPMRJOCRO-MRXNPFEDSA-N 2 2 369.494 3.663 20 0 FHADLP FC(F)Oc1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000518152866 945087498 /nfs/dbraw/zinc/08/74/98/945087498.db2.gz ISGBAOFHEGIDPI-UHFFFAOYSA-N 2 2 366.374 3.837 20 0 FHADLP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1=O ZINC000518164709 945091342 /nfs/dbraw/zinc/09/13/42/945091342.db2.gz VSFDNVCLDSSCKE-AKQDLLBKSA-N 2 2 367.468 3.612 20 0 FHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000563256538 935304192 /nfs/dbraw/zinc/30/41/92/935304192.db2.gz XEDHUCOTHBJZEZ-VHUCWBOISA-N 2 2 356.432 3.809 20 0 FHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000563256538 935304198 /nfs/dbraw/zinc/30/41/98/935304198.db2.gz XEDHUCOTHBJZEZ-VHUCWBOISA-N 2 2 356.432 3.809 20 0 FHADLP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000277518494 935413954 /nfs/dbraw/zinc/41/39/54/935413954.db2.gz KHSQJCWASJVLDJ-UHFFFAOYSA-N 2 2 370.541 3.840 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000657375416 935450930 /nfs/dbraw/zinc/45/09/30/935450930.db2.gz YEGFPGFTZYTMAZ-OXJNMPFZSA-N 3 2 367.522 3.502 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1cccs1 ZINC000657375416 935450931 /nfs/dbraw/zinc/45/09/31/935450931.db2.gz YEGFPGFTZYTMAZ-OXJNMPFZSA-N 3 2 367.522 3.502 20 0 FHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432114387 945104400 /nfs/dbraw/zinc/10/44/00/945104400.db2.gz URYPBCXKGGAZQG-CQSZACIVSA-N 2 2 353.495 3.522 20 0 FHADLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nc4cccnc4s3)C1)CCCC2 ZINC000432114387 945104407 /nfs/dbraw/zinc/10/44/07/945104407.db2.gz URYPBCXKGGAZQG-CQSZACIVSA-N 2 2 353.495 3.522 20 0 FHADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562164 935503870 /nfs/dbraw/zinc/50/38/70/935503870.db2.gz HZUBNDUZJSEHMN-QGZVFWFLSA-N 2 2 359.341 3.561 20 0 FHADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562164 935503874 /nfs/dbraw/zinc/50/38/74/935503874.db2.gz HZUBNDUZJSEHMN-QGZVFWFLSA-N 2 2 359.341 3.561 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1cccs1 ZINC000427122212 945107429 /nfs/dbraw/zinc/10/74/29/945107429.db2.gz ASRJFGONUDLAAR-WMZOPIPTSA-N 2 2 358.507 3.520 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCc1cccs1 ZINC000427122212 945107432 /nfs/dbraw/zinc/10/74/32/945107432.db2.gz ASRJFGONUDLAAR-WMZOPIPTSA-N 2 2 358.507 3.520 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158504026 935604810 /nfs/dbraw/zinc/60/48/10/935604810.db2.gz WKJQJTXHXHPEHG-QWFCFKBJSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158504026 935604811 /nfs/dbraw/zinc/60/48/11/935604811.db2.gz WKJQJTXHXHPEHG-QWFCFKBJSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158504026 935604816 /nfs/dbraw/zinc/60/48/16/935604816.db2.gz WKJQJTXHXHPEHG-QWFCFKBJSA-N 2 2 357.542 3.862 20 0 FHADLP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158504026 935604820 /nfs/dbraw/zinc/60/48/20/935604820.db2.gz WKJQJTXHXHPEHG-QWFCFKBJSA-N 2 2 357.542 3.862 20 0 FHADLP O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000684850839 935628928 /nfs/dbraw/zinc/62/89/28/935628928.db2.gz ITTDVNFTAVPLCB-UHFFFAOYSA-N 2 2 355.401 3.685 20 0 FHADLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000582489414 935771740 /nfs/dbraw/zinc/77/17/40/935771740.db2.gz CDQVTBWJZFLUMY-AOMKIAJQSA-N 2 2 374.475 3.683 20 0 FHADLP CC(C)Sc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000511148594 935799414 /nfs/dbraw/zinc/79/94/14/935799414.db2.gz ZNVNACRPEYZTGO-UHFFFAOYSA-N 2 2 372.582 3.980 20 0 FHADLP CC(C)Sc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000511148594 935799416 /nfs/dbraw/zinc/79/94/16/935799416.db2.gz ZNVNACRPEYZTGO-UHFFFAOYSA-N 2 2 372.582 3.980 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000582563013 935832492 /nfs/dbraw/zinc/83/24/92/935832492.db2.gz SGKCVDVDDAKFEG-AMZGXZFVSA-N 2 2 371.569 3.619 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000582563013 935832496 /nfs/dbraw/zinc/83/24/96/935832496.db2.gz SGKCVDVDDAKFEG-AMZGXZFVSA-N 2 2 371.569 3.619 20 0 FHADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000152814850 935869206 /nfs/dbraw/zinc/86/92/06/935869206.db2.gz ZBRYQRWRWSKDJJ-UHFFFAOYSA-N 2 2 372.419 3.808 20 0 FHADLP Cc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCC2 ZINC000152875603 935875736 /nfs/dbraw/zinc/87/57/36/935875736.db2.gz KGLZSFHNTUJJSH-IBGZPJMESA-N 2 2 356.539 3.521 20 0 FHADLP CC1(C)C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)c2cc(F)ccc2O1 ZINC000657500090 935879072 /nfs/dbraw/zinc/87/90/72/935879072.db2.gz HBAWICFMWRPLGQ-GOSISDBHSA-N 2 2 352.413 3.798 20 0 FHADLP CC(C)(C)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000582698199 935953983 /nfs/dbraw/zinc/95/39/83/935953983.db2.gz XOYXNQPJNGHQGU-NHCUHLMSSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000582698199 935953985 /nfs/dbraw/zinc/95/39/85/935953985.db2.gz XOYXNQPJNGHQGU-NHCUHLMSSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000582698199 935953987 /nfs/dbraw/zinc/95/39/87/935953987.db2.gz XOYXNQPJNGHQGU-NHCUHLMSSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000582698199 935953989 /nfs/dbraw/zinc/95/39/89/935953989.db2.gz XOYXNQPJNGHQGU-NHCUHLMSSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698200 935954041 /nfs/dbraw/zinc/95/40/41/935954041.db2.gz XOYXNQPJNGHQGU-RTWAWAEBSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698200 935954043 /nfs/dbraw/zinc/95/40/43/935954043.db2.gz XOYXNQPJNGHQGU-RTWAWAEBSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698200 935954045 /nfs/dbraw/zinc/95/40/45/935954045.db2.gz XOYXNQPJNGHQGU-RTWAWAEBSA-N 2 2 364.537 3.728 20 0 FHADLP CC(C)(C)c1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000582698200 935954046 /nfs/dbraw/zinc/95/40/46/935954046.db2.gz XOYXNQPJNGHQGU-RTWAWAEBSA-N 2 2 364.537 3.728 20 0 FHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793779 945136520 /nfs/dbraw/zinc/13/65/20/945136520.db2.gz QXKPDLOCZTXNBR-BFSLETRISA-N 2 2 372.459 3.859 20 0 FHADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000511793779 945136523 /nfs/dbraw/zinc/13/65/23/945136523.db2.gz QXKPDLOCZTXNBR-BFSLETRISA-N 2 2 372.459 3.859 20 0 FHADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636725 936275854 /nfs/dbraw/zinc/27/58/54/936275854.db2.gz VRUIQZUSINROPN-QRVBRYPASA-N 2 2 365.562 3.582 20 0 FHADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636725 936275856 /nfs/dbraw/zinc/27/58/56/936275856.db2.gz VRUIQZUSINROPN-QRVBRYPASA-N 2 2 365.562 3.582 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636725 936275861 /nfs/dbraw/zinc/27/58/61/936275861.db2.gz VRUIQZUSINROPN-QRVBRYPASA-N 2 2 365.562 3.582 20 0 FHADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001167636725 936275865 /nfs/dbraw/zinc/27/58/65/936275865.db2.gz VRUIQZUSINROPN-QRVBRYPASA-N 2 2 365.562 3.582 20 0 FHADLP COc1cc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1C ZINC000161732779 938272608 /nfs/dbraw/zinc/27/26/08/938272608.db2.gz VLMIOQJTUBYWRQ-UHFFFAOYSA-N 2 2 367.537 3.871 20 0 FHADLP CCc1noc(C)c1C[N@H+](C)[C@H]1CCC[NH+](Cc2c(CC)noc2C)CC1 ZINC000156992050 938308865 /nfs/dbraw/zinc/30/88/65/938308865.db2.gz VBUXLVLENNWBAT-KRWDZBQOSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[N@@H+](C)[C@H]1CCC[NH+](Cc2c(CC)noc2C)CC1 ZINC000156992050 938308866 /nfs/dbraw/zinc/30/88/66/938308866.db2.gz VBUXLVLENNWBAT-KRWDZBQOSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[NH+](C)[C@H]1CCC[N@H+](Cc2c(CC)noc2C)CC1 ZINC000156992050 938308867 /nfs/dbraw/zinc/30/88/67/938308867.db2.gz VBUXLVLENNWBAT-KRWDZBQOSA-N 2 2 374.529 3.891 20 0 FHADLP CCc1noc(C)c1C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(CC)noc2C)CC1 ZINC000156992050 938308868 /nfs/dbraw/zinc/30/88/68/938308868.db2.gz VBUXLVLENNWBAT-KRWDZBQOSA-N 2 2 374.529 3.891 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000562034087 938404201 /nfs/dbraw/zinc/40/42/01/938404201.db2.gz ODHWDCRDONZYOZ-APWZRJJASA-N 2 2 373.566 3.875 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000562034087 938404203 /nfs/dbraw/zinc/40/42/03/938404203.db2.gz ODHWDCRDONZYOZ-APWZRJJASA-N 2 2 373.566 3.875 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000562034087 938404205 /nfs/dbraw/zinc/40/42/05/938404205.db2.gz ODHWDCRDONZYOZ-APWZRJJASA-N 2 2 373.566 3.875 20 0 FHADLP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000562034087 938404207 /nfs/dbraw/zinc/40/42/07/938404207.db2.gz ODHWDCRDONZYOZ-APWZRJJASA-N 2 2 373.566 3.875 20 0 FHADLP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)CC2CC=CC2)o1 ZINC000660536348 945177662 /nfs/dbraw/zinc/17/76/62/945177662.db2.gz PYSOTGXIHNKIMD-UHFFFAOYSA-N 2 2 350.260 3.707 20 0 FHADLP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)CC2CC=CC2)o1 ZINC000660536348 945177669 /nfs/dbraw/zinc/17/76/69/945177669.db2.gz PYSOTGXIHNKIMD-UHFFFAOYSA-N 2 2 350.260 3.707 20 0 FHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000189084108 938435506 /nfs/dbraw/zinc/43/55/06/938435506.db2.gz OKXLZBNFLIWHCG-GCJKJVERSA-N 2 2 374.488 3.632 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247563009 938484656 /nfs/dbraw/zinc/48/46/56/938484656.db2.gz GGHQCUAVXAKSNV-MSOLQXFVSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000247563009 938484657 /nfs/dbraw/zinc/48/46/57/938484657.db2.gz GGHQCUAVXAKSNV-MSOLQXFVSA-N 2 2 354.498 3.726 20 0 FHADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1OCc1ccccc1 ZINC000151360453 938534083 /nfs/dbraw/zinc/53/40/83/938534083.db2.gz OTQBPNQGRUCZBL-IBGZPJMESA-N 2 2 368.521 3.763 20 0 FHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000657817468 938542471 /nfs/dbraw/zinc/54/24/71/938542471.db2.gz OJFGOBLMNJSQMB-KRWDZBQOSA-N 2 2 350.304 3.893 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000151781333 938676094 /nfs/dbraw/zinc/67/60/94/938676094.db2.gz XVEJYOWAETXAJQ-HNAYVOBHSA-N 2 2 374.525 3.617 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000151781333 938676095 /nfs/dbraw/zinc/67/60/95/938676095.db2.gz XVEJYOWAETXAJQ-HNAYVOBHSA-N 2 2 374.525 3.617 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302094 938677609 /nfs/dbraw/zinc/67/76/09/938677609.db2.gz RYOZKHSTTYNDMM-OWYHZJEWSA-N 3 2 369.475 3.948 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584302094 938677611 /nfs/dbraw/zinc/67/76/11/938677611.db2.gz RYOZKHSTTYNDMM-OWYHZJEWSA-N 3 2 369.475 3.948 20 0 FHADLP CC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@H+](C)Cc1ccccc1 ZINC000584305015 938678551 /nfs/dbraw/zinc/67/85/51/938678551.db2.gz WBESSCSLRJNWOD-HXUWFJFHSA-N 2 2 369.509 3.576 20 0 FHADLP CC[C@H](C(=O)N(C)Cc1[nH+]cc(C)c(OC)c1C)[N@@H+](C)Cc1ccccc1 ZINC000584305015 938678552 /nfs/dbraw/zinc/67/85/52/938678552.db2.gz WBESSCSLRJNWOD-HXUWFJFHSA-N 2 2 369.509 3.576 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000584365222 938711170 /nfs/dbraw/zinc/71/11/70/938711170.db2.gz LMCWYWAJADKTNB-HKUYNNGSSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000584365222 938711172 /nfs/dbraw/zinc/71/11/72/938711172.db2.gz LMCWYWAJADKTNB-HKUYNNGSSA-N 2 2 356.514 3.768 20 0 FHADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072274 938910932 /nfs/dbraw/zinc/91/09/32/938910932.db2.gz UGDAXWLDRJRZCN-GFCCVEGCSA-N 2 2 350.260 3.560 20 0 FHADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072274 938910933 /nfs/dbraw/zinc/91/09/33/938910933.db2.gz UGDAXWLDRJRZCN-GFCCVEGCSA-N 2 2 350.260 3.560 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000093766600 938929819 /nfs/dbraw/zinc/92/98/19/938929819.db2.gz WEZZPDFWINQMPE-GOSISDBHSA-N 2 2 372.475 3.780 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000093766600 938929821 /nfs/dbraw/zinc/92/98/21/938929821.db2.gz WEZZPDFWINQMPE-GOSISDBHSA-N 2 2 372.475 3.780 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000144682339 938951795 /nfs/dbraw/zinc/95/17/95/938951795.db2.gz JUEWOZZEVXTOKI-AZUAARDMSA-N 2 2 354.498 3.503 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@H+](CC4CC4)C3)cc2cc1OC ZINC000657875648 938964593 /nfs/dbraw/zinc/96/45/93/938964593.db2.gz HQBWFFOWDGRTDA-MGPUTAFESA-N 2 2 354.494 3.992 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)cc2cc1OC ZINC000657875648 938964595 /nfs/dbraw/zinc/96/45/95/938964595.db2.gz HQBWFFOWDGRTDA-MGPUTAFESA-N 2 2 354.494 3.992 20 0 FHADLP c1c2ccccc2[nH]c1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000685441995 938986832 /nfs/dbraw/zinc/98/68/32/938986832.db2.gz UQGIOMAQJFZBTO-QHCPKHFHSA-N 2 2 374.532 3.560 20 0 FHADLP c1c2ccccc2[nH]c1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000685441995 938986833 /nfs/dbraw/zinc/98/68/33/938986833.db2.gz UQGIOMAQJFZBTO-QHCPKHFHSA-N 2 2 374.532 3.560 20 0 FHADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000563951278 938996315 /nfs/dbraw/zinc/99/63/15/938996315.db2.gz VSTSEEMVQASTCQ-KZNAEPCWSA-N 2 2 355.869 3.570 20 0 FHADLP FC(F)(F)Oc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969184 938998426 /nfs/dbraw/zinc/99/84/26/938998426.db2.gz YHNYYBSGVQGHET-UHFFFAOYSA-N 2 2 351.372 3.739 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000685648486 939008303 /nfs/dbraw/zinc/00/83/03/939008303.db2.gz RFTZTVJOODGVDF-MAUKXSAKSA-N 2 2 351.450 3.769 20 0 FHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657980702 939015195 /nfs/dbraw/zinc/01/51/95/939015195.db2.gz OHHANOHIPHLQEU-IAGOWNOFSA-N 2 2 362.315 3.817 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089626 939022141 /nfs/dbraw/zinc/02/21/41/939022141.db2.gz AKAWKWLVRYJCQD-WBVHZDCISA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089626 939022142 /nfs/dbraw/zinc/02/21/42/939022142.db2.gz AKAWKWLVRYJCQD-WBVHZDCISA-N 2 2 365.949 3.539 20 0 FHADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1=O ZINC000658108183 939028417 /nfs/dbraw/zinc/02/84/17/939028417.db2.gz RQXZEZSDWWBHMA-IBGZPJMESA-N 2 2 371.569 3.843 20 0 FHADLP CC(C)n1ccc(C[C@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000658193633 939065061 /nfs/dbraw/zinc/06/50/61/939065061.db2.gz GFKKJXOLFNTDGX-FXAWDEMLSA-N 2 2 351.498 3.702 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000658292495 939100049 /nfs/dbraw/zinc/10/00/49/939100049.db2.gz ZURYGHWOZSONML-ROUUACIJSA-N 2 2 367.331 3.743 20 0 FHADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000658292494 939100166 /nfs/dbraw/zinc/10/01/66/939100166.db2.gz ZURYGHWOZSONML-QZTJIDSGSA-N 2 2 367.331 3.743 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292728 939100239 /nfs/dbraw/zinc/10/02/39/939100239.db2.gz AHFZRWKCEJLLNA-CZUORRHYSA-N 2 2 351.560 3.653 20 0 FHADLP COc1ccc(C2CCC([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000658295035 939100564 /nfs/dbraw/zinc/10/05/64/939100564.db2.gz QXBDUFZSTWMDFO-XTXLOEGASA-N 2 2 358.526 3.564 20 0 FHADLP C/C=C/COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000658294692 939101232 /nfs/dbraw/zinc/10/12/32/939101232.db2.gz OUUIJQBGJIETMS-XJWKMDPISA-N 2 2 372.553 3.806 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000658296335 939102229 /nfs/dbraw/zinc/10/22/29/939102229.db2.gz YYIOMFKFMXYNQQ-JTSKRJEESA-N 2 2 351.494 3.653 20 0 FHADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316343 939109228 /nfs/dbraw/zinc/10/92/28/939109228.db2.gz DZOZYLILMUNFLU-QUCCMNQESA-N 2 2 352.526 3.856 20 0 FHADLP CCn1ccnc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316343 939109229 /nfs/dbraw/zinc/10/92/29/939109229.db2.gz DZOZYLILMUNFLU-QUCCMNQESA-N 2 2 352.526 3.856 20 0 FHADLP C[N@H+](CCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000548883971 939193573 /nfs/dbraw/zinc/19/35/73/939193573.db2.gz VJNCYIBKAMVQOA-GOSISDBHSA-N 2 2 372.557 3.580 20 0 FHADLP C[N@@H+](CCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000548883971 939193579 /nfs/dbraw/zinc/19/35/79/939193579.db2.gz VJNCYIBKAMVQOA-GOSISDBHSA-N 2 2 372.557 3.580 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000375794391 939897836 /nfs/dbraw/zinc/89/78/36/939897836.db2.gz LBKJJYIAKLPDJX-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccccc3C(F)(F)F)CCC[N@H+]2C)cn1 ZINC000375794391 939897839 /nfs/dbraw/zinc/89/78/39/939897839.db2.gz LBKJJYIAKLPDJX-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP CCCCC[C@](C)(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366662894 945291846 /nfs/dbraw/zinc/29/18/46/945291846.db2.gz MJJTXEFKYCVNBU-NRFANRHFSA-N 2 2 351.579 3.658 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000024049919 940081620 /nfs/dbraw/zinc/08/16/20/940081620.db2.gz QVZNAWMLKHOYNS-OAQYLSRUSA-N 2 2 362.477 3.685 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3CCSc4ccccc43)CCC[N@@H+]2C)cn1 ZINC000376168875 940409982 /nfs/dbraw/zinc/40/99/82/940409982.db2.gz YQFVNMATWRHOGU-BPAFIMBUSA-N 2 2 356.539 3.630 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@H]3CCSc4ccccc43)CCC[N@H+]2C)cn1 ZINC000376168875 940409989 /nfs/dbraw/zinc/40/99/89/940409989.db2.gz YQFVNMATWRHOGU-BPAFIMBUSA-N 2 2 356.539 3.630 20 0 FHADLP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000164444629 945325197 /nfs/dbraw/zinc/32/51/97/945325197.db2.gz SODOACOQHMQXML-PGRDOPGGSA-N 2 2 362.521 3.914 20 0 FHADLP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)c[nH]c21 ZINC000164444629 945325202 /nfs/dbraw/zinc/32/52/02/945325202.db2.gz SODOACOQHMQXML-PGRDOPGGSA-N 2 2 362.521 3.914 20 0 FHADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414096704 940502241 /nfs/dbraw/zinc/50/22/41/940502241.db2.gz HVADDYUEQBYYOG-RQXXJAGISA-N 2 2 352.526 3.637 20 0 FHADLP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1cc2n(n1)CCC2 ZINC000414096704 940502244 /nfs/dbraw/zinc/50/22/44/940502244.db2.gz HVADDYUEQBYYOG-RQXXJAGISA-N 2 2 352.526 3.637 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1cc2n(n1)CCC2 ZINC000414108828 940511076 /nfs/dbraw/zinc/51/10/76/940511076.db2.gz GMYKAXQCRANRSQ-KRWDZBQOSA-N 2 2 364.493 3.905 20 0 FHADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)c1cc2n(n1)CCC2 ZINC000414108828 940511078 /nfs/dbraw/zinc/51/10/78/940511078.db2.gz GMYKAXQCRANRSQ-KRWDZBQOSA-N 2 2 364.493 3.905 20 0 FHADLP COc1ccc(C[C@@H](C)[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)cn1 ZINC000414138949 940655019 /nfs/dbraw/zinc/65/50/19/940655019.db2.gz KNLGAKVDCJPVAW-CQSZACIVSA-N 2 2 356.857 3.650 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233072 940809256 /nfs/dbraw/zinc/80/92/56/940809256.db2.gz QWXYBDUAUSSMRF-LAUBAEHRSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233072 940809258 /nfs/dbraw/zinc/80/92/58/940809258.db2.gz QWXYBDUAUSSMRF-LAUBAEHRSA-N 2 2 352.526 3.774 20 0 FHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660575 945363231 /nfs/dbraw/zinc/36/32/31/945363231.db2.gz XBNNGIBPTHAIDW-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660575 945363244 /nfs/dbraw/zinc/36/32/44/945363244.db2.gz XBNNGIBPTHAIDW-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660575 945363252 /nfs/dbraw/zinc/36/32/52/945363252.db2.gz XBNNGIBPTHAIDW-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(Br)cc3cccnc31)C2 ZINC000660660575 945363263 /nfs/dbraw/zinc/36/32/63/945363263.db2.gz XBNNGIBPTHAIDW-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000414331175 940986843 /nfs/dbraw/zinc/98/68/43/940986843.db2.gz CPVVILYNJVVMDL-YJBOKZPZSA-N 2 2 356.432 3.805 20 0 FHADLP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000892630058 941039113 /nfs/dbraw/zinc/03/91/13/941039113.db2.gz BXGMNNLPDNFYBB-UHFFFAOYSA-N 2 2 358.452 3.519 20 0 FHADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000647548777 941070311 /nfs/dbraw/zinc/07/03/11/941070311.db2.gz SQGVBCLPHAKNAS-UGSOOPFHSA-N 2 2 356.341 3.545 20 0 FHADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000376647806 941371407 /nfs/dbraw/zinc/37/14/07/941371407.db2.gz APWVUZSGNHVSMF-PMACEKPBSA-N 2 2 367.493 3.533 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000376770581 941428276 /nfs/dbraw/zinc/42/82/76/941428276.db2.gz CBYASAMRMFHJSG-DOXZYTNZSA-N 2 2 374.916 3.700 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000376770581 941428277 /nfs/dbraw/zinc/42/82/77/941428277.db2.gz CBYASAMRMFHJSG-DOXZYTNZSA-N 2 2 374.916 3.700 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C ZINC000415068484 941583359 /nfs/dbraw/zinc/58/33/59/941583359.db2.gz RCZZQZUGDSHXPL-YLJYHZDGSA-N 2 2 353.510 3.873 20 0 FHADLP COc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cc(F)ccc2OC)c1 ZINC000415077156 941587817 /nfs/dbraw/zinc/58/78/17/941587817.db2.gz DXPJTKFCKSQTQQ-UWJYYQICSA-N 2 2 358.457 3.664 20 0 FHADLP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000892876393 941642425 /nfs/dbraw/zinc/64/24/25/941642425.db2.gz RAPLAEWTVBWMQY-UHFFFAOYSA-N 2 2 373.444 3.782 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513264186 941815938 /nfs/dbraw/zinc/81/59/38/941815938.db2.gz VFORGSCSGOIIOV-FQEVSTJZSA-N 2 2 374.488 3.575 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000513264186 941815941 /nfs/dbraw/zinc/81/59/41/941815941.db2.gz VFORGSCSGOIIOV-FQEVSTJZSA-N 2 2 374.488 3.575 20 0 FHADLP CC(C)CC[NH+]1CCC(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000513329562 941855630 /nfs/dbraw/zinc/85/56/30/941855630.db2.gz DWBBIHNVBNXXQM-UHFFFAOYSA-N 3 2 363.512 3.751 20 0 FHADLP CCc1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)C[C@@H](C)O)CC3)o2)cc1 ZINC000513334076 941858241 /nfs/dbraw/zinc/85/82/41/941858241.db2.gz TZYJXLREQSYJHI-QGZVFWFLSA-N 2 2 356.510 3.786 20 0 FHADLP CCc1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)C[C@@H](C)O)CC3)o2)cc1 ZINC000513334076 941858245 /nfs/dbraw/zinc/85/82/45/941858245.db2.gz TZYJXLREQSYJHI-QGZVFWFLSA-N 2 2 356.510 3.786 20 0 FHADLP Fc1ccccc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000513368429 941878968 /nfs/dbraw/zinc/87/89/68/941878968.db2.gz VYEOURZGMHYLKD-UHFFFAOYSA-N 2 2 350.441 3.724 20 0 FHADLP Fc1ccccc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000513368429 941878973 /nfs/dbraw/zinc/87/89/73/941878973.db2.gz VYEOURZGMHYLKD-UHFFFAOYSA-N 2 2 350.441 3.724 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000513517666 941978168 /nfs/dbraw/zinc/97/81/68/941978168.db2.gz JIFKBWUGDJZNOR-IDZYALCFSA-N 2 2 353.510 3.942 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000513517666 941978171 /nfs/dbraw/zinc/97/81/71/941978171.db2.gz JIFKBWUGDJZNOR-IDZYALCFSA-N 2 2 353.510 3.942 20 0 FHADLP CC[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)OCCc2ccccc21 ZINC000377798592 941995928 /nfs/dbraw/zinc/99/59/28/941995928.db2.gz KJNHGUCBBSPQKR-HSZRJFAPSA-N 2 2 365.521 3.514 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000893080122 941996953 /nfs/dbraw/zinc/99/69/53/941996953.db2.gz MXQBUMVGRSUSAQ-HXUWFJFHSA-N 2 2 363.461 3.589 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1)CCC2 ZINC000377833570 942029078 /nfs/dbraw/zinc/02/90/78/942029078.db2.gz ZOMCYVWQGAJOMO-INIZCTEOSA-N 2 2 369.900 3.913 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000434010361 942037602 /nfs/dbraw/zinc/03/76/02/942037602.db2.gz CPLRYEQXXXAUMM-PGRDOPGGSA-N 2 2 365.525 3.806 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000434010361 942037607 /nfs/dbraw/zinc/03/76/07/942037607.db2.gz CPLRYEQXXXAUMM-PGRDOPGGSA-N 2 2 365.525 3.806 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000434010361 942037612 /nfs/dbraw/zinc/03/76/12/942037612.db2.gz CPLRYEQXXXAUMM-PGRDOPGGSA-N 2 2 365.525 3.806 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc3[nH]ccc32)[C@@H]1c1cnn(C)c1 ZINC000434010361 942037618 /nfs/dbraw/zinc/03/76/18/942037618.db2.gz CPLRYEQXXXAUMM-PGRDOPGGSA-N 2 2 365.525 3.806 20 0 FHADLP C[N@@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013098 942039668 /nfs/dbraw/zinc/03/96/68/942039668.db2.gz SNJWLNQGDYAGEC-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434013098 942039671 /nfs/dbraw/zinc/03/96/71/942039671.db2.gz SNJWLNQGDYAGEC-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434013098 942039673 /nfs/dbraw/zinc/03/96/73/942039673.db2.gz SNJWLNQGDYAGEC-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[NH+](Cc1ccc(Br)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434013098 942039676 /nfs/dbraw/zinc/03/96/76/942039676.db2.gz SNJWLNQGDYAGEC-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP Cc1ccc2c(C)cc(NCc3ccc(C[NH+]4CCOCC4)cc3)[nH+]c2c1 ZINC000501890521 942098374 /nfs/dbraw/zinc/09/83/74/942098374.db2.gz RVQRMBVWOPUVPP-UHFFFAOYSA-N 2 2 361.489 3.718 20 0 FHADLP CCCOc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182093856 942212597 /nfs/dbraw/zinc/21/25/97/942212597.db2.gz SWCUHRZTRPGGOG-QGZVFWFLSA-N 2 2 357.498 3.672 20 0 FHADLP CCCOc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC ZINC000182093856 942212603 /nfs/dbraw/zinc/21/26/03/942212603.db2.gz SWCUHRZTRPGGOG-QGZVFWFLSA-N 2 2 357.498 3.672 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccsc1 ZINC000420814233 942219801 /nfs/dbraw/zinc/21/98/01/942219801.db2.gz ZAUFLOKOGQQEJL-GOSISDBHSA-N 2 2 360.527 3.642 20 0 FHADLP CCOc1ccccc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901593 942245880 /nfs/dbraw/zinc/24/58/80/942245880.db2.gz KMFRBBPZFYEOCZ-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP CCOc1ccccc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901593 942245885 /nfs/dbraw/zinc/24/58/85/942245885.db2.gz KMFRBBPZFYEOCZ-UHFFFAOYSA-N 2 2 354.494 3.550 20 0 FHADLP COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420927272 942257917 /nfs/dbraw/zinc/25/79/17/942257917.db2.gz ZEKXLFRTKGZOEA-NRFANRHFSA-N 2 2 370.493 3.595 20 0 FHADLP COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420927272 942257919 /nfs/dbraw/zinc/25/79/19/942257919.db2.gz ZEKXLFRTKGZOEA-NRFANRHFSA-N 2 2 370.493 3.595 20 0 FHADLP Fc1ccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCC2)c(F)c1 ZINC000420937853 942264455 /nfs/dbraw/zinc/26/44/55/942264455.db2.gz LQABYWBROWPQNH-UHFFFAOYSA-N 2 2 372.459 3.966 20 0 FHADLP c1csc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCCC2)n1 ZINC000420938651 942264753 /nfs/dbraw/zinc/26/47/53/942264753.db2.gz PGZYFKGQSIWWOL-UHFFFAOYSA-N 2 2 357.523 3.534 20 0 FHADLP c1ccc(N[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420942105 942265715 /nfs/dbraw/zinc/26/57/15/942265715.db2.gz URIZBQLVCAWKPH-QHCPKHFHSA-N 2 2 365.521 3.595 20 0 FHADLP c1ccc(N[C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420942105 942265717 /nfs/dbraw/zinc/26/57/17/942265717.db2.gz URIZBQLVCAWKPH-QHCPKHFHSA-N 2 2 365.521 3.595 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2ncsc2c1 ZINC000420915050 942266426 /nfs/dbraw/zinc/26/64/26/942266426.db2.gz DHJOFTFNOHNJJX-MRXNPFEDSA-N 2 2 367.518 3.979 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000163886667 942297161 /nfs/dbraw/zinc/29/71/61/942297161.db2.gz QETRQNCZFSOQPK-SJLPKXTDSA-N 2 2 355.482 3.845 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000163886667 942297167 /nfs/dbraw/zinc/29/71/67/942297167.db2.gz QETRQNCZFSOQPK-SJLPKXTDSA-N 2 2 355.482 3.845 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cn1 ZINC000163886800 942297378 /nfs/dbraw/zinc/29/73/78/942297378.db2.gz QETRQNCZFSOQPK-AEFFLSMTSA-N 2 2 355.482 3.845 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cn1 ZINC000163886800 942297381 /nfs/dbraw/zinc/29/73/81/942297381.db2.gz QETRQNCZFSOQPK-AEFFLSMTSA-N 2 2 355.482 3.845 20 0 FHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000549397396 942303589 /nfs/dbraw/zinc/30/35/89/942303589.db2.gz FXYPWZWNGOZCAR-PMACEKPBSA-N 2 2 372.601 3.758 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)CC1 ZINC000421042936 942314824 /nfs/dbraw/zinc/31/48/24/942314824.db2.gz ZOJSMQHCLHYPLV-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)CC1 ZINC000421042936 942314828 /nfs/dbraw/zinc/31/48/28/942314828.db2.gz ZOJSMQHCLHYPLV-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP COc1cc(C)c(C[C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1OC ZINC000502253890 942315369 /nfs/dbraw/zinc/31/53/69/942315369.db2.gz NDJOMRFQURPZEA-QGZVFWFLSA-N 2 2 369.509 3.597 20 0 FHADLP c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(-c2ccccc2)n1 ZINC000502303887 942344015 /nfs/dbraw/zinc/34/40/15/942344015.db2.gz USUISNAKJJPISB-SFHVURJKSA-N 2 2 361.493 3.785 20 0 FHADLP c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n(-c2ccccc2)n1 ZINC000502303887 942344019 /nfs/dbraw/zinc/34/40/19/942344019.db2.gz USUISNAKJJPISB-SFHVURJKSA-N 2 2 361.493 3.785 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205357 942387690 /nfs/dbraw/zinc/38/76/90/942387690.db2.gz VVQKHNRWYLDWLM-JKSUJKDBSA-N 2 2 365.481 3.881 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000378205357 942387694 /nfs/dbraw/zinc/38/76/94/942387694.db2.gz VVQKHNRWYLDWLM-JKSUJKDBSA-N 2 2 365.481 3.881 20 0 FHADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414818831 942408375 /nfs/dbraw/zinc/40/83/75/942408375.db2.gz WTFMAOJXTSJKNY-QGZVFWFLSA-N 2 2 354.420 3.557 20 0 FHADLP CCc1oc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C(=O)OC ZINC000549410763 942521845 /nfs/dbraw/zinc/52/18/45/942521845.db2.gz LIONLLBUWQABCT-OAHLLOKOSA-N 2 2 371.481 3.541 20 0 FHADLP CCc1oc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C(=O)OC ZINC000549410763 942521852 /nfs/dbraw/zinc/52/18/52/942521852.db2.gz LIONLLBUWQABCT-OAHLLOKOSA-N 2 2 371.481 3.541 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420316742 942619352 /nfs/dbraw/zinc/61/93/52/942619352.db2.gz NOHBHTRENOZUMF-FGSXEWAUSA-N 2 2 359.473 3.633 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420316742 942619358 /nfs/dbraw/zinc/61/93/58/942619358.db2.gz NOHBHTRENOZUMF-FGSXEWAUSA-N 2 2 359.473 3.633 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420345407 942627153 /nfs/dbraw/zinc/62/71/53/942627153.db2.gz WDYDRHNEJPZKSA-BLLLJJGKSA-N 2 2 370.324 3.784 20 0 FHADLP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420348858 942633349 /nfs/dbraw/zinc/63/33/49/942633349.db2.gz BEQVLVZAGJDSJW-MRXNPFEDSA-N 2 2 367.541 3.619 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420362451 942638865 /nfs/dbraw/zinc/63/88/65/942638865.db2.gz OIIKURTVTXDODH-MLGOLLRUSA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420362451 942638870 /nfs/dbraw/zinc/63/88/70/942638870.db2.gz OIIKURTVTXDODH-MLGOLLRUSA-N 2 2 359.297 3.529 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc2ccccc21 ZINC000420365480 942640561 /nfs/dbraw/zinc/64/05/61/942640561.db2.gz SEPDSOJQXSTPKZ-HRAATJIYSA-N 2 2 353.510 3.514 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 ZINC000420369422 942642447 /nfs/dbraw/zinc/64/24/47/942642447.db2.gz IYRCRIPWXUPLCG-IBGZPJMESA-N 2 2 362.477 3.606 20 0 FHADLP CC(C)([NH3+])c1noc(C[N@H+]2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 ZINC000420369422 942642455 /nfs/dbraw/zinc/64/24/55/942642455.db2.gz IYRCRIPWXUPLCG-IBGZPJMESA-N 2 2 362.477 3.606 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000414845517 942659010 /nfs/dbraw/zinc/65/90/10/942659010.db2.gz MDHANNLXUOHJLG-IBGZPJMESA-N 2 2 369.900 3.834 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401417 942660946 /nfs/dbraw/zinc/66/09/46/942660946.db2.gz JGXKCNQGFYHWAS-MBNYWOFBSA-N 2 2 368.403 3.733 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401417 942660951 /nfs/dbraw/zinc/66/09/51/942660951.db2.gz JGXKCNQGFYHWAS-MBNYWOFBSA-N 2 2 368.403 3.733 20 0 FHADLP c1cn(-c2ccccc2)nc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690020 942866515 /nfs/dbraw/zinc/86/65/15/942866515.db2.gz YSTXMRDBFJKWOQ-UHFFFAOYSA-N 2 2 361.493 3.785 20 0 FHADLP C[NH+](C)CCc1ccc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000425174572 942934955 /nfs/dbraw/zinc/93/49/55/942934955.db2.gz CNZRXMCAEMYCNC-FQEVSTJZSA-N 2 2 362.477 3.675 20 0 FHADLP CCCC[C@@H](CC)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008630 942937121 /nfs/dbraw/zinc/93/71/21/942937121.db2.gz AGBTXRCYEYWICH-LJQANCHMSA-N 2 2 351.579 3.612 20 0 FHADLP CCCC[C@@H](CC)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008630 942937124 /nfs/dbraw/zinc/93/71/24/942937124.db2.gz AGBTXRCYEYWICH-LJQANCHMSA-N 2 2 351.579 3.612 20 0 FHADLP CC[C@H](CC1CCCC1)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023555 942941950 /nfs/dbraw/zinc/94/19/50/942941950.db2.gz PVGMBRDZUGPFCZ-HXUWFJFHSA-N 2 2 363.590 3.612 20 0 FHADLP CC[C@H](CC1CCCC1)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422023555 942941955 /nfs/dbraw/zinc/94/19/55/942941955.db2.gz PVGMBRDZUGPFCZ-HXUWFJFHSA-N 2 2 363.590 3.612 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000503063127 942946281 /nfs/dbraw/zinc/94/62/81/942946281.db2.gz MHXOOUMCTHDRBB-UHFFFAOYSA-N 2 2 368.525 3.879 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000503063127 942946287 /nfs/dbraw/zinc/94/62/87/942946287.db2.gz MHXOOUMCTHDRBB-UHFFFAOYSA-N 2 2 368.525 3.879 20 0 FHADLP COc1cc2c(cc1C[NH2+]Cc1ccc(Cn3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000042228248 942988131 /nfs/dbraw/zinc/98/81/31/942988131.db2.gz SHJFHVIGDZUKQO-INIZCTEOSA-N 2 2 363.461 3.553 20 0 FHADLP Cc1cc(CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000422209090 943049574 /nfs/dbraw/zinc/04/95/74/943049574.db2.gz NVQBUKKXNIGYHN-UHFFFAOYSA-N 2 2 366.509 3.504 20 0 FHADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422217065 943058215 /nfs/dbraw/zinc/05/82/15/943058215.db2.gz VVFVRFKGWOIYCA-UHFFFAOYSA-N 2 2 374.451 3.504 20 0 FHADLP CCCC[C@@H](CCC)NC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422192825 943128377 /nfs/dbraw/zinc/12/83/77/943128377.db2.gz WHCMBMGGMXMUOO-LJQANCHMSA-N 2 2 366.594 3.547 20 0 FHADLP CCCC[C@@H](CCC)NC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422192825 943128381 /nfs/dbraw/zinc/12/83/81/943128381.db2.gz WHCMBMGGMXMUOO-LJQANCHMSA-N 2 2 366.594 3.547 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422639646 943207936 /nfs/dbraw/zinc/20/79/36/943207936.db2.gz UAUGBCFHQSDGKO-DYEKYZERSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422639646 943207939 /nfs/dbraw/zinc/20/79/39/943207939.db2.gz UAUGBCFHQSDGKO-DYEKYZERSA-N 2 2 368.403 3.561 20 0 FHADLP Clc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732367 943259803 /nfs/dbraw/zinc/25/98/03/943259803.db2.gz KRLUTIVFAPYGKQ-KSSFIOAISA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)OCCO2 ZINC000514732367 943259811 /nfs/dbraw/zinc/25/98/11/943259811.db2.gz KRLUTIVFAPYGKQ-KSSFIOAISA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)OCCO2 ZINC000514732367 943259815 /nfs/dbraw/zinc/25/98/15/943259815.db2.gz KRLUTIVFAPYGKQ-KSSFIOAISA-N 2 2 362.901 3.560 20 0 FHADLP Clc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)OCCO2 ZINC000514732367 943259818 /nfs/dbraw/zinc/25/98/18/943259818.db2.gz KRLUTIVFAPYGKQ-KSSFIOAISA-N 2 2 362.901 3.560 20 0 FHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422737792 943264899 /nfs/dbraw/zinc/26/48/99/943264899.db2.gz ILORSEFFLVPKRC-IGCXYCKISA-N 2 2 363.502 3.675 20 0 FHADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000503592657 943279883 /nfs/dbraw/zinc/27/98/83/943279883.db2.gz OPTNLASKQZGWNT-UXHICEINSA-N 2 2 356.466 3.539 20 0 FHADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295739 943289816 /nfs/dbraw/zinc/28/98/16/943289816.db2.gz JEDVVYFZFHOMGW-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295739 943289821 /nfs/dbraw/zinc/28/98/21/943289821.db2.gz JEDVVYFZFHOMGW-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295739 943289824 /nfs/dbraw/zinc/28/98/24/943289824.db2.gz JEDVVYFZFHOMGW-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(F)c3OCC(F)(F)F)C2)C1 ZINC000628295739 943289830 /nfs/dbraw/zinc/28/98/30/943289830.db2.gz JEDVVYFZFHOMGW-KRWDZBQOSA-N 2 2 360.395 3.685 20 0 FHADLP Cc1nc(-c2ccc([C@H](C)[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cc2)cs1 ZINC000422810483 943291585 /nfs/dbraw/zinc/29/15/85/943291585.db2.gz UJGGDEVCQTUSGQ-SVIJTADQSA-N 2 2 357.523 3.536 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@@H](C)O1 ZINC000422813971 943292822 /nfs/dbraw/zinc/29/28/22/943292822.db2.gz SRUXQKINGFJVAB-IEGYKGNPSA-N 3 2 365.521 3.530 20 0 FHADLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1OCC(F)(F)F ZINC000422824683 943297396 /nfs/dbraw/zinc/29/73/96/943297396.db2.gz HVMVBBKISSZLBK-JKSUJKDBSA-N 2 2 366.383 3.871 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000422835965 943300369 /nfs/dbraw/zinc/30/03/69/943300369.db2.gz QKJVVCAZKMWIQH-YPAWHYETSA-N 2 2 366.553 3.916 20 0 FHADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(OC[C@H]2CCCO2)c1 ZINC000422872608 943321902 /nfs/dbraw/zinc/32/19/02/943321902.db2.gz HUUWKHRGGLGMKT-DUXKGJEZSA-N 2 2 352.478 3.787 20 0 FHADLP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)s1 ZINC000364008971 943322161 /nfs/dbraw/zinc/32/21/61/943322161.db2.gz JUMYMBYOSHNHSV-INIZCTEOSA-N 2 2 367.522 3.740 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906510 943327062 /nfs/dbraw/zinc/32/70/62/943327062.db2.gz KAVZTMZRNZRBCD-XKQJLSEDSA-N 2 2 357.523 3.926 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000422937347 943337850 /nfs/dbraw/zinc/33/78/50/943337850.db2.gz GCAYIMGNTRWOSN-RPVQJOFSSA-N 2 2 350.915 3.848 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422949892 943346617 /nfs/dbraw/zinc/34/66/17/943346617.db2.gz UWGZCOHCLBAJOF-NQSCKRDGSA-N 2 2 354.494 3.531 20 0 FHADLP COc1cc([C@H](C)[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccc1OCCC(C)C ZINC000422949616 943346867 /nfs/dbraw/zinc/34/68/67/943346867.db2.gz UOWXDFMIDJHKIQ-ZIFCJYIRSA-N 2 2 364.530 3.538 20 0 FHADLP CC(C)COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422972538 943355382 /nfs/dbraw/zinc/35/53/82/943355382.db2.gz MAKHOFSMNCOLFJ-XQBPLPMBSA-N 2 2 370.493 3.839 20 0 FHADLP COc1ccc([C@H](Nc2ccc(N3CCCC3)[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422980318 943357260 /nfs/dbraw/zinc/35/72/60/943357260.db2.gz LMHPCWYRIMEMGC-CTNGQTDRSA-N 2 2 352.482 3.596 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000423016081 943365137 /nfs/dbraw/zinc/36/51/37/943365137.db2.gz AYHMPFDPNFVIHO-DEICHXMPSA-N 2 2 356.432 3.698 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423066988 943380806 /nfs/dbraw/zinc/38/08/06/943380806.db2.gz YKVVERQXFXXRRL-JTSKRJEESA-N 3 2 352.526 3.554 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423066988 943380817 /nfs/dbraw/zinc/38/08/17/943380817.db2.gz YKVVERQXFXXRRL-JTSKRJEESA-N 3 2 352.526 3.554 20 0 FHADLP C[C@@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@@H]1CCC[NH2+]1 ZINC000423074131 943383089 /nfs/dbraw/zinc/38/30/89/943383089.db2.gz UBSAKYCOWPLXSZ-MDASCCDHSA-N 2 2 374.326 3.858 20 0 FHADLP COc1ccc([C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423116150 943395936 /nfs/dbraw/zinc/39/59/36/943395936.db2.gz ZRGCLBVUJIOVQJ-PZJWPPBQSA-N 2 2 351.494 3.595 20 0 FHADLP CCCc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434521 943397803 /nfs/dbraw/zinc/39/78/03/943397803.db2.gz SNCRKKIWJWQXEN-HXUWFJFHSA-N 2 2 352.526 3.517 20 0 FHADLP CCCc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434521 943397810 /nfs/dbraw/zinc/39/78/10/943397810.db2.gz SNCRKKIWJWQXEN-HXUWFJFHSA-N 2 2 352.526 3.517 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000423107363 943402634 /nfs/dbraw/zinc/40/26/34/943402634.db2.gz PUDILKVHIQNGSZ-BVGQSLNGSA-N 2 2 356.432 3.903 20 0 FHADLP Cc1cc(Cl)cc(C)c1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426602 943405777 /nfs/dbraw/zinc/40/57/77/943405777.db2.gz IXKCNSXVCFPRPM-LJQANCHMSA-N 2 2 372.944 3.835 20 0 FHADLP Cc1cc(Cl)cc(C)c1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435426602 943405779 /nfs/dbraw/zinc/40/57/79/943405779.db2.gz IXKCNSXVCFPRPM-LJQANCHMSA-N 2 2 372.944 3.835 20 0 FHADLP Clc1ccccc1[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000423211023 943432828 /nfs/dbraw/zinc/43/28/28/943432828.db2.gz KOFHFMZNCJBHLB-BTYIYWSLSA-N 2 2 372.896 3.790 20 0 FHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423259524 943461966 /nfs/dbraw/zinc/46/19/66/943461966.db2.gz FEEQBXWVIYPSEU-WDEREUQCSA-N 2 2 352.372 3.913 20 0 FHADLP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423275555 943469358 /nfs/dbraw/zinc/46/93/58/943469358.db2.gz LSZSNOHAZKTOSI-GOSISDBHSA-N 2 2 370.541 3.962 20 0 FHADLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423329475 943481298 /nfs/dbraw/zinc/48/12/98/943481298.db2.gz SVZFEEWRLMOMIS-MGPLVRAMSA-N 2 2 353.297 3.875 20 0 FHADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCN(c3ccccc3)CC2)cc1F ZINC000423361434 943491246 /nfs/dbraw/zinc/49/12/46/943491246.db2.gz GUANOJFRUQDGDZ-DENIHFKCSA-N 2 2 371.475 3.669 20 0 FHADLP FC(F)(F)c1ccc(Br)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000515096893 943502238 /nfs/dbraw/zinc/50/22/38/943502238.db2.gz YELBRCSKDWDBSK-LLVKDONJSA-N 2 2 374.204 3.838 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CCC[NH2+]1 ZINC000423417052 943511963 /nfs/dbraw/zinc/51/19/63/943511963.db2.gz GIPODJKQROCEJV-DJJJIMSYSA-N 2 2 363.502 3.677 20 0 FHADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000414745814 943521010 /nfs/dbraw/zinc/52/10/10/943521010.db2.gz RKTODCPKEFNMSZ-AWEZNQCLSA-N 2 2 355.885 3.503 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423505556 943531504 /nfs/dbraw/zinc/53/15/04/943531504.db2.gz OLWYAPAPIKKEIL-IFXJQAMLSA-N 2 2 351.494 3.829 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518045 943544037 /nfs/dbraw/zinc/54/40/37/943544037.db2.gz ZCSNVHZIENLEFL-KSSFIOAISA-N 2 2 358.482 3.625 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000423520139 943544900 /nfs/dbraw/zinc/54/49/00/943544900.db2.gz PTEZKGLEROIULL-IINYFYTJSA-N 2 2 370.337 3.753 20 0 FHADLP Cc1cc([C@H](Cc2ccccc2Cl)[NH2+]C[C@H]2C[NH2+]CCO2)cs1 ZINC000423577000 943561739 /nfs/dbraw/zinc/56/17/39/943561739.db2.gz RRWHTCXWVBMVGV-AEFFLSMTSA-N 2 2 350.915 3.572 20 0 FHADLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2COCc3ccccc32)CC1 ZINC000417375022 943564488 /nfs/dbraw/zinc/56/44/88/943564488.db2.gz ZZVISCJKTVIWCQ-FDDCHVKYSA-N 2 2 350.506 3.943 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435729660 943572738 /nfs/dbraw/zinc/57/27/38/943572738.db2.gz BCXKOROLQYBZGW-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1Cl)C[C@@H]1CC[NH2+]C1 ZINC000435729660 943572742 /nfs/dbraw/zinc/57/27/42/943572742.db2.gz BCXKOROLQYBZGW-OAHLLOKOSA-N 2 2 365.930 3.595 20 0 FHADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)C[C@H]2C1 ZINC000424312148 943838587 /nfs/dbraw/zinc/83/85/87/943838587.db2.gz LWFOOZBHOXGKIT-TXZRGUEPSA-N 2 2 372.553 3.680 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[NH2+]C1 ZINC000436050093 943973215 /nfs/dbraw/zinc/97/32/15/943973215.db2.gz IJKAAFUOWALOLW-OAHLLOKOSA-N 2 2 370.497 3.751 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H]1CC[NH2+]C1 ZINC000436050093 943973222 /nfs/dbraw/zinc/97/32/22/943973222.db2.gz IJKAAFUOWALOLW-OAHLLOKOSA-N 2 2 370.497 3.751 20 0 FHADLP CC(=O)N(c1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cs1)c1ccc(C)cc1 ZINC000414797244 943983281 /nfs/dbraw/zinc/98/32/81/943983281.db2.gz IKVVJMXAYLLFJO-LPHOPBHVSA-N 2 2 372.538 3.743 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000500072498 944050939 /nfs/dbraw/zinc/05/09/39/944050939.db2.gz DIXWFKWYZFTVKI-LJQANCHMSA-N 2 2 354.450 3.690 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000500072498 944050948 /nfs/dbraw/zinc/05/09/48/944050948.db2.gz DIXWFKWYZFTVKI-LJQANCHMSA-N 2 2 354.450 3.690 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCC[C@H](C(F)(F)F)C3)[nH+]c2)C1 ZINC000437781710 944094385 /nfs/dbraw/zinc/09/43/85/944094385.db2.gz FKCCSWMOLORHMY-SQWLQELKSA-N 2 2 356.436 3.755 20 0 FHADLP Cc1ccncc1CCC[NH2+]C[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000517262693 944143569 /nfs/dbraw/zinc/14/35/69/944143569.db2.gz BQPUGJUCNSKDRO-QHCPKHFHSA-N 2 2 351.538 3.995 20 0 FHADLP Cc1ccncc1CCC[NH2+]C[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000517262693 944143572 /nfs/dbraw/zinc/14/35/72/944143572.db2.gz BQPUGJUCNSKDRO-QHCPKHFHSA-N 2 2 351.538 3.995 20 0 FHADLP C[C@H]1SCC[N@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196356 /nfs/dbraw/zinc/19/63/56/944196356.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[N@@H+](Cc2cncc(C[NH+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196364 /nfs/dbraw/zinc/19/63/64/944196364.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196370 /nfs/dbraw/zinc/19/63/70/944196370.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 2 2 365.612 3.733 20 0 FHADLP C[C@H]1SCC[NH+](Cc2cncc(C[N@H+]3CCS[C@@H](C)[C@H]3C)c2)[C@@H]1C ZINC000515772309 944196376 /nfs/dbraw/zinc/19/63/76/944196376.db2.gz WOUXMKZVNCETEW-VQHPVUNQSA-N 2 2 365.612 3.733 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530358 944385296 /nfs/dbraw/zinc/38/52/96/944385296.db2.gz DNNYIMSFBNNCJP-GOSISDBHSA-N 2 2 362.468 3.539 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000390530358 944385307 /nfs/dbraw/zinc/38/53/07/944385307.db2.gz DNNYIMSFBNNCJP-GOSISDBHSA-N 2 2 362.468 3.539 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426312823 944440751 /nfs/dbraw/zinc/44/07/51/944440751.db2.gz KQKWKWUTZKGPRD-SJLPKXTDSA-N 2 2 350.441 3.941 20 0 FHADLP CCOc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccccc1 ZINC000425970708 944454686 /nfs/dbraw/zinc/45/46/86/944454686.db2.gz IJODVQCSTQZAQY-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccccc1 ZINC000425970708 944454693 /nfs/dbraw/zinc/45/46/93/944454693.db2.gz IJODVQCSTQZAQY-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCc1ccccc1 ZINC000425970708 944454697 /nfs/dbraw/zinc/45/46/97/944454697.db2.gz IJODVQCSTQZAQY-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP CCOc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCc1ccccc1 ZINC000425970708 944454701 /nfs/dbraw/zinc/45/47/01/944454701.db2.gz IJODVQCSTQZAQY-OYRHEFFESA-N 2 2 366.505 3.658 20 0 FHADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nc(N2CCCC2)n1 ZINC000426323333 944456816 /nfs/dbraw/zinc/45/68/16/944456816.db2.gz MCLOVBHIGAXIPB-UTKZUKDTSA-N 2 2 371.573 3.518 20 0 FHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390611077 944558568 /nfs/dbraw/zinc/55/85/68/944558568.db2.gz WWXXPKASCOVDTR-FUHWJXTLSA-N 2 2 358.448 3.988 20 0 FHADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390611077 944558572 /nfs/dbraw/zinc/55/85/72/944558572.db2.gz WWXXPKASCOVDTR-FUHWJXTLSA-N 2 2 358.448 3.988 20 0 FHADLP Cc1nc2ccc(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc2s1 ZINC000426400835 944668416 /nfs/dbraw/zinc/66/84/16/944668416.db2.gz LHMDJRSHTDWFOJ-IAGOWNOFSA-N 2 2 372.582 3.595 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3nc(C)ccc3c2)cc1 ZINC000414892122 944688521 /nfs/dbraw/zinc/68/85/21/944688521.db2.gz WKGSRCLYRGPIPH-GMAHTHKFSA-N 2 2 361.489 3.787 20 0 FHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390681490 944709771 /nfs/dbraw/zinc/70/97/71/944709771.db2.gz VZAWMRGIEJBLTD-NZQKXSOJSA-N 2 2 352.522 3.888 20 0 FHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390681490 944709776 /nfs/dbraw/zinc/70/97/76/944709776.db2.gz VZAWMRGIEJBLTD-NZQKXSOJSA-N 2 2 352.522 3.888 20 0 FHADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000518766345 944717203 /nfs/dbraw/zinc/71/72/03/944717203.db2.gz YQUZWOIJAJSCRF-UHFFFAOYSA-N 2 2 373.928 3.651 20 0 FHADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2)c[nH+]1 ZINC000516348310 944754279 /nfs/dbraw/zinc/75/42/79/944754279.db2.gz SGTKIQBQGSYOPD-FKBYEOEOSA-N 2 2 373.504 3.649 20 0 FHADLP c1cn(Cc2ccc(N[C@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2)c[nH+]1 ZINC000516348310 944754283 /nfs/dbraw/zinc/75/42/83/944754283.db2.gz SGTKIQBQGSYOPD-FKBYEOEOSA-N 2 2 373.504 3.649 20 0 FHADLP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000518868087 944875315 /nfs/dbraw/zinc/87/53/15/944875315.db2.gz NFVGNWSXYPWLPG-OAQYLSRUSA-N 2 2 366.509 3.647 20 0 FHADLP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000518868087 944875322 /nfs/dbraw/zinc/87/53/22/944875322.db2.gz NFVGNWSXYPWLPG-OAQYLSRUSA-N 2 2 366.509 3.647 20 0 FHADLP Cc1cc(C)n(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)n1 ZINC000500430092 944951678 /nfs/dbraw/zinc/95/16/78/944951678.db2.gz GDCDULCMIDCPJH-UHFFFAOYSA-N 2 2 352.526 3.939 20 0 FHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760020843 945039061 /nfs/dbraw/zinc/03/90/61/945039061.db2.gz YLGXSMGMYIDDBT-GGAORHGYSA-N 2 2 350.506 3.863 20 0 FHADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760020843 945039071 /nfs/dbraw/zinc/03/90/71/945039071.db2.gz YLGXSMGMYIDDBT-GGAORHGYSA-N 2 2 350.506 3.863 20 0 FHADLP CC[NH+](CC)CCCC1CC[NH+](Cc2c(Br)cnn2C)CC1 ZINC000426167831 945062620 /nfs/dbraw/zinc/06/26/20/945062620.db2.gz WGPIHEYDATUBAD-UHFFFAOYSA-N 2 2 371.367 3.517 20 0 FHADLP c1nc(-c2ccncc2)sc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000440346299 945425658 /nfs/dbraw/zinc/42/56/58/945425658.db2.gz WXISGQSFZRBGFZ-UHFFFAOYSA-N 2 2 364.518 3.959 20 0 FHADLP Fc1c(Br)cccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000394903944 945589983 /nfs/dbraw/zinc/58/99/83/945589983.db2.gz HPNMGGMYZHVJDF-UHFFFAOYSA-N 2 2 364.262 3.742 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633306 945602071 /nfs/dbraw/zinc/60/20/71/945602071.db2.gz DJYKZCUEWAGXQK-NFBKMPQASA-N 2 2 365.521 3.814 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCNc4ccccc43)C2)cc1 ZINC000519633306 945602077 /nfs/dbraw/zinc/60/20/77/945602077.db2.gz DJYKZCUEWAGXQK-NFBKMPQASA-N 2 2 365.521 3.814 20 0 FHADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000651719336 945762296 /nfs/dbraw/zinc/76/22/96/945762296.db2.gz QHEVZZXTFWIXKM-GUYCJALGSA-N 2 2 352.881 3.557 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(Br)cn1 ZINC001167971201 945781658 /nfs/dbraw/zinc/78/16/58/945781658.db2.gz SGEDPRKUIKDDCG-FCLXEUQJSA-N 2 2 364.331 3.900 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(Br)cn1 ZINC001167971201 945781664 /nfs/dbraw/zinc/78/16/64/945781664.db2.gz SGEDPRKUIKDDCG-FCLXEUQJSA-N 2 2 364.331 3.900 20 0 FHADLP c1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301532234 945834025 /nfs/dbraw/zinc/83/40/25/945834025.db2.gz KKSDDPMKPPHYIW-LJQANCHMSA-N 2 2 357.546 3.559 20 0 FHADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281851594 945886935 /nfs/dbraw/zinc/88/69/35/945886935.db2.gz ZCXFGAAOPLNQQX-UHFFFAOYSA-N 2 2 351.903 3.777 20 0 FHADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732107 945938231 /nfs/dbraw/zinc/93/82/31/945938231.db2.gz YJCRPSQOIXDELR-SFTDATJTSA-N 2 2 350.510 3.893 20 0 FHADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c(C)c(C)[nH+]1 ZINC000301732107 945938238 /nfs/dbraw/zinc/93/82/38/945938238.db2.gz YJCRPSQOIXDELR-SFTDATJTSA-N 2 2 350.510 3.893 20 0 FHADLP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000187878055 945960452 /nfs/dbraw/zinc/96/04/52/945960452.db2.gz BRNZZLZISLSAJE-NRFANRHFSA-N 2 2 372.484 3.778 20 0 FHADLP Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904514 946030605 /nfs/dbraw/zinc/03/06/05/946030605.db2.gz PQVGGXPOKBVESN-RXVVDRJESA-N 2 2 373.504 3.703 20 0 FHADLP Nc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]c2ccccc12 ZINC000301904514 946030618 /nfs/dbraw/zinc/03/06/18/946030618.db2.gz PQVGGXPOKBVESN-RXVVDRJESA-N 2 2 373.504 3.703 20 0 FHADLP CC(C)CC[NH+]1CCC(CNc2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000301903802 946030781 /nfs/dbraw/zinc/03/07/81/946030781.db2.gz XQAAOXFJCCQUSP-UHFFFAOYSA-N 2 2 358.534 3.751 20 0 FHADLP CC(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302039180 946089982 /nfs/dbraw/zinc/08/99/82/946089982.db2.gz HBFVVKXQEWNWMF-LJQANCHMSA-N 2 2 368.525 3.902 20 0 FHADLP CC(C)c1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)nc(C(C)C)[nH+]1 ZINC000302039180 946089991 /nfs/dbraw/zinc/08/99/91/946089991.db2.gz HBFVVKXQEWNWMF-LJQANCHMSA-N 2 2 368.525 3.902 20 0 FHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075576 946108640 /nfs/dbraw/zinc/10/86/40/946108640.db2.gz VYSLNLMVFCYPDV-RBUKOAKNSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000302075576 946108643 /nfs/dbraw/zinc/10/86/43/946108643.db2.gz VYSLNLMVFCYPDV-RBUKOAKNSA-N 2 2 357.546 3.558 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302904720 946377217 /nfs/dbraw/zinc/37/72/17/946377217.db2.gz SCAABQQQKKQTLX-KRWDZBQOSA-N 2 2 351.498 3.714 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302904720 946377221 /nfs/dbraw/zinc/37/72/21/946377221.db2.gz SCAABQQQKKQTLX-KRWDZBQOSA-N 2 2 351.498 3.714 20 0 FHADLP Cc1cccc(CC2(O)CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1 ZINC000475497882 946436641 /nfs/dbraw/zinc/43/66/41/946436641.db2.gz UKEVZNROBCZSRW-UHFFFAOYSA-N 2 2 361.489 3.750 20 0 FHADLP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441363840 946511191 /nfs/dbraw/zinc/51/11/91/946511191.db2.gz KNBUAMPQOFAAJM-ICSRJNTNSA-N 2 2 356.514 3.526 20 0 FHADLP CC(C)CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824244327 946633698 /nfs/dbraw/zinc/63/36/98/946633698.db2.gz QRSVIYTUZKBZRS-KRWDZBQOSA-N 2 2 370.545 3.636 20 0 FHADLP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)n1cc[nH+]c1 ZINC000894987372 946824753 /nfs/dbraw/zinc/82/47/53/946824753.db2.gz ZBPNSBBCZMRRPQ-GFCCVEGCSA-N 2 2 354.376 3.553 20 0 FHADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000167883522 946876287 /nfs/dbraw/zinc/87/62/87/946876287.db2.gz OBGADNKDKNOECU-QGZVFWFLSA-N 2 2 369.509 3.603 20 0 FHADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123697534 946877227 /nfs/dbraw/zinc/87/72/27/946877227.db2.gz LTEJTCGAFVFVSC-CQSZACIVSA-N 2 2 366.431 3.692 20 0 FHADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3cc(C(F)(F)F)ccc23)CC1 ZINC000123697534 946877237 /nfs/dbraw/zinc/87/72/37/946877237.db2.gz LTEJTCGAFVFVSC-CQSZACIVSA-N 2 2 366.431 3.692 20 0 FHADLP C[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1CCOCC1 ZINC000475331124 946892613 /nfs/dbraw/zinc/89/26/13/946892613.db2.gz OBTYTVLVSFQZOA-NNGSBXSVSA-N 2 2 362.480 3.834 20 0 FHADLP CCN(CC)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475338198 946908081 /nfs/dbraw/zinc/90/80/81/946908081.db2.gz WLRCZWULIHYDQE-KDURUIRLSA-N 2 2 370.566 3.553 20 0 FHADLP CCN(CC)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475338198 946908083 /nfs/dbraw/zinc/90/80/83/946908083.db2.gz WLRCZWULIHYDQE-KDURUIRLSA-N 2 2 370.566 3.553 20 0 FHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475338198 946908094 /nfs/dbraw/zinc/90/80/94/946908094.db2.gz WLRCZWULIHYDQE-KDURUIRLSA-N 2 2 370.566 3.553 20 0 FHADLP CCN(CC)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000475338198 946908100 /nfs/dbraw/zinc/90/81/00/946908100.db2.gz WLRCZWULIHYDQE-KDURUIRLSA-N 2 2 370.566 3.553 20 0 FHADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249085 946950647 /nfs/dbraw/zinc/95/06/47/946950647.db2.gz BTOACUWRBMELIR-GJZGRUSLSA-N 2 2 361.288 3.600 20 0 FHADLP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCc3ccc(N)[nH+]c3C)c12 ZINC001167785658 946993469 /nfs/dbraw/zinc/99/34/69/946993469.db2.gz XTVWCNLUOXPUKA-UHFFFAOYSA-N 2 2 362.437 3.587 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)s1 ZINC000511922368 947005871 /nfs/dbraw/zinc/00/58/71/947005871.db2.gz KHGQKTDDUVFIMY-ROUUACIJSA-N 2 2 359.539 3.678 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2c(Br)cccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301188496 947224309 /nfs/dbraw/zinc/22/43/09/947224309.db2.gz KRXUCCROHPEXJE-CHWSQXEVSA-N 2 2 364.287 3.518 20 0 FHADLP Fc1cc(Br)cc([C@@H](CC2CC2)[NH2+]CCn2cc[nH+]c2)c1 ZINC000188189505 947227039 /nfs/dbraw/zinc/22/70/39/947227039.db2.gz NVMSEZPKXLWPJW-MRXNPFEDSA-N 2 2 352.251 3.916 20 0 FHADLP OC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1c(Cl)cccc1Cl ZINC000475622118 947565178 /nfs/dbraw/zinc/56/51/78/947565178.db2.gz FLITXUFSARIQJW-INIZCTEOSA-N 2 2 366.292 3.680 20 0 FHADLP Fc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(Cl)c1 ZINC000662281464 947705275 /nfs/dbraw/zinc/70/52/75/947705275.db2.gz XJUJCBIRMQLOLP-HXUWFJFHSA-N 2 2 360.860 3.698 20 0 FHADLP Fc1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)c(Cl)c1 ZINC000662281464 947705282 /nfs/dbraw/zinc/70/52/82/947705282.db2.gz XJUJCBIRMQLOLP-HXUWFJFHSA-N 2 2 360.860 3.698 20 0 FHADLP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294714 947717845 /nfs/dbraw/zinc/71/78/45/947717845.db2.gz LRNIVXFYJSXYJH-CQSZACIVSA-N 2 2 370.324 3.644 20 0 FHADLP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1c(Cl)cccc1Cl ZINC000662294714 947717853 /nfs/dbraw/zinc/71/78/53/947717853.db2.gz LRNIVXFYJSXYJH-CQSZACIVSA-N 2 2 370.324 3.644 20 0 FHADLP Cc1nc(NC[C@H](c2cccs2)[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663322493 947746546 /nfs/dbraw/zinc/74/65/46/947746546.db2.gz JNLYSEVAFUTINF-LLVKDONJSA-N 2 2 355.305 3.632 20 0 FHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372882 947796304 /nfs/dbraw/zinc/79/63/04/947796304.db2.gz ZUAPYDOEVRFOER-QZTJIDSGSA-N 2 2 366.509 3.532 20 0 FHADLP CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000005228150 948044115 /nfs/dbraw/zinc/04/41/15/948044115.db2.gz FTTRKIRRBJWLPV-VRMLFSPKSA-N 2 2 351.494 3.932 20 0 FHADLP CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000005228150 948044125 /nfs/dbraw/zinc/04/41/25/948044125.db2.gz FTTRKIRRBJWLPV-VRMLFSPKSA-N 2 2 351.494 3.932 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465086 948046638 /nfs/dbraw/zinc/04/66/38/948046638.db2.gz HZBXJTUSNGUULI-IEBWSBKVSA-N 2 2 352.526 3.860 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ncc(-c2ccccc2)n1C ZINC000663465086 948046645 /nfs/dbraw/zinc/04/66/45/948046645.db2.gz HZBXJTUSNGUULI-IEBWSBKVSA-N 2 2 352.526 3.860 20 0 FHADLP Cc1cc(C)c(CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c[nH+]1 ZINC000459084530 948068049 /nfs/dbraw/zinc/06/80/49/948068049.db2.gz UKMCMFVEZQPPEZ-UHFFFAOYSA-N 2 2 366.509 3.504 20 0 FHADLP CO[C@@H](C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278916550 948102940 /nfs/dbraw/zinc/10/29/40/948102940.db2.gz RBLXBGMKJFUMFA-AWEZNQCLSA-N 2 2 360.527 3.763 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)o1 ZINC000432351409 948197929 /nfs/dbraw/zinc/19/79/29/948197929.db2.gz MJKRQOGYFHZACI-QGZVFWFLSA-N 2 2 360.473 3.985 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)o1 ZINC000432351409 948197934 /nfs/dbraw/zinc/19/79/34/948197934.db2.gz MJKRQOGYFHZACI-QGZVFWFLSA-N 2 2 360.473 3.985 20 0 FHADLP CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512023272 948212001 /nfs/dbraw/zinc/21/20/01/948212001.db2.gz JJAKBXVSVTWKGJ-SJKOYZFVSA-N 2 2 353.919 3.724 20 0 FHADLP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000237185993 948244866 /nfs/dbraw/zinc/24/48/66/948244866.db2.gz PHPQQROWCORHLS-QZTJIDSGSA-N 2 2 360.933 3.856 20 0 FHADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000236822743 948288690 /nfs/dbraw/zinc/28/86/90/948288690.db2.gz RMWWOIDAAHVXCY-KRWDZBQOSA-N 2 2 360.933 3.882 20 0 FHADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)C1 ZINC000236822743 948288699 /nfs/dbraw/zinc/28/86/99/948288699.db2.gz RMWWOIDAAHVXCY-KRWDZBQOSA-N 2 2 360.933 3.882 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]CCCOc2ccc3ccccc3c2)s1 ZINC000512044076 948294464 /nfs/dbraw/zinc/29/44/64/948294464.db2.gz BTKWPFUMMMHQIG-UHFFFAOYSA-N 2 2 355.507 3.917 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1F ZINC000432418533 948368406 /nfs/dbraw/zinc/36/84/06/948368406.db2.gz SMQCBMPZIRZQLL-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Br)ccc1F ZINC000432418533 948368413 /nfs/dbraw/zinc/36/84/13/948368413.db2.gz SMQCBMPZIRZQLL-KBPBESRZSA-N 2 2 373.310 3.740 20 0 FHADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432421705 948381333 /nfs/dbraw/zinc/38/13/33/948381333.db2.gz AWRACTOYJYSVMY-MAUKXSAKSA-N 2 2 369.347 3.991 20 0 FHADLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432421705 948381341 /nfs/dbraw/zinc/38/13/41/948381341.db2.gz AWRACTOYJYSVMY-MAUKXSAKSA-N 2 2 369.347 3.991 20 0 FHADLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432422040 948385483 /nfs/dbraw/zinc/38/54/83/948385483.db2.gz CFFJUFMFKVSOSC-HUUCEWRRSA-N 2 2 355.320 3.601 20 0 FHADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432422040 948385487 /nfs/dbraw/zinc/38/54/87/948385487.db2.gz CFFJUFMFKVSOSC-HUUCEWRRSA-N 2 2 355.320 3.601 20 0 FHADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000512087031 948389784 /nfs/dbraw/zinc/38/97/84/948389784.db2.gz HLPCZDPQBWBBFK-UHFFFAOYSA-N 2 2 354.420 3.711 20 0 FHADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000512087031 948389789 /nfs/dbraw/zinc/38/97/89/948389789.db2.gz HLPCZDPQBWBBFK-UHFFFAOYSA-N 2 2 354.420 3.711 20 0 FHADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088701 948392412 /nfs/dbraw/zinc/39/24/12/948392412.db2.gz POTQGPSHYSFWMN-KRWDZBQOSA-N 3 2 372.582 3.869 20 0 FHADLP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000512088701 948392418 /nfs/dbraw/zinc/39/24/18/948392418.db2.gz POTQGPSHYSFWMN-KRWDZBQOSA-N 3 2 372.582 3.869 20 0 FHADLP Cc1ccc2nc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665399 948542040 /nfs/dbraw/zinc/54/20/40/948542040.db2.gz KJNMFTUWFZPESN-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665399 948542049 /nfs/dbraw/zinc/54/20/49/948542049.db2.gz KJNMFTUWFZPESN-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665399 948542060 /nfs/dbraw/zinc/54/20/60/948542060.db2.gz KJNMFTUWFZPESN-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1ccc2nc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2c1 ZINC000520665399 948542063 /nfs/dbraw/zinc/54/20/63/948542063.db2.gz KJNMFTUWFZPESN-RTWAWAEBSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001143587929 948611454 /nfs/dbraw/zinc/61/14/54/948611454.db2.gz ULXHPIDPKQGRJX-HJNYFJLDSA-N 2 2 370.516 3.704 20 0 FHADLP Cc1cc(F)cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001143587929 948611458 /nfs/dbraw/zinc/61/14/58/948611458.db2.gz ULXHPIDPKQGRJX-HJNYFJLDSA-N 2 2 370.516 3.704 20 0 FHADLP Cc1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001143587929 948611462 /nfs/dbraw/zinc/61/14/62/948611462.db2.gz ULXHPIDPKQGRJX-HJNYFJLDSA-N 2 2 370.516 3.704 20 0 FHADLP Cc1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1 ZINC001143587929 948611467 /nfs/dbraw/zinc/61/14/67/948611467.db2.gz ULXHPIDPKQGRJX-HJNYFJLDSA-N 2 2 370.516 3.704 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176091 948656901 /nfs/dbraw/zinc/65/69/01/948656901.db2.gz BOOXKSYBVHHUIL-MOPGFXCFSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176091 948656904 /nfs/dbraw/zinc/65/69/04/948656904.db2.gz BOOXKSYBVHHUIL-MOPGFXCFSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176091 948656905 /nfs/dbraw/zinc/65/69/05/948656905.db2.gz BOOXKSYBVHHUIL-MOPGFXCFSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176091 948656907 /nfs/dbraw/zinc/65/69/07/948656907.db2.gz BOOXKSYBVHHUIL-MOPGFXCFSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176092 948656994 /nfs/dbraw/zinc/65/69/94/948656994.db2.gz BOOXKSYBVHHUIL-OALUTQOASA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176092 948656997 /nfs/dbraw/zinc/65/69/97/948656997.db2.gz BOOXKSYBVHHUIL-OALUTQOASA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176092 948657000 /nfs/dbraw/zinc/65/70/00/948657000.db2.gz BOOXKSYBVHHUIL-OALUTQOASA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176092 948657002 /nfs/dbraw/zinc/65/70/02/948657002.db2.gz BOOXKSYBVHHUIL-OALUTQOASA-N 2 2 358.526 3.934 20 0 FHADLP Cc1ccc(-c2n[nH]cc2CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895112662 948708084 /nfs/dbraw/zinc/70/80/84/948708084.db2.gz XGIGVIKNTZHCGY-QAQDUYKDSA-N 2 2 351.454 3.650 20 0 FHADLP CCO[P@@](C)(=O)CC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114248 948720003 /nfs/dbraw/zinc/72/00/03/948720003.db2.gz JMTPBIYHPHRGAW-WWMOSFEBSA-N 2 2 353.447 3.881 20 0 FHADLP Cn1c[nH+]c(CCNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000459181487 948737482 /nfs/dbraw/zinc/73/74/82/948737482.db2.gz PEWHEGOIJGRMDI-UHFFFAOYSA-N 2 2 369.513 3.549 20 0 FHADLP Cn1c[nH+]c(CCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000459181487 948737488 /nfs/dbraw/zinc/73/74/88/948737488.db2.gz PEWHEGOIJGRMDI-UHFFFAOYSA-N 2 2 369.513 3.549 20 0 FHADLP COc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1OC(F)F ZINC000508485537 514795167 /nfs/dbraw/zinc/79/51/67/514795167.db2.gz XWOLFYFWLCIWAW-UHFFFAOYSA-N 2 2 360.364 3.549 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262193165 523524689 /nfs/dbraw/zinc/52/46/89/523524689.db2.gz YXXWJEFSSRKDJP-SFHVURJKSA-N 2 2 358.917 3.701 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262193165 523524694 /nfs/dbraw/zinc/52/46/94/523524694.db2.gz YXXWJEFSSRKDJP-SFHVURJKSA-N 2 2 358.917 3.701 20 0 FHADLP c1ccc2c(c1)C=C(C[NH2+]CC1([NH+]3CCSCC3)CCCCC1)CO2 ZINC000601775451 567837842 /nfs/dbraw/zinc/83/78/42/567837842.db2.gz YZKZWQLNVZMACH-UHFFFAOYSA-N 2 2 358.551 3.804 20 0 FHADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000601863808 567866903 /nfs/dbraw/zinc/86/69/03/567866903.db2.gz HPCOELTVQNXAQS-KRWDZBQOSA-N 2 2 354.454 3.868 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)n1 ZINC000601934182 567880041 /nfs/dbraw/zinc/88/00/41/567880041.db2.gz OFWLWVMVDDVECE-JKSUJKDBSA-N 2 2 371.481 3.544 20 0 FHADLP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000601934182 567880043 /nfs/dbraw/zinc/88/00/43/567880043.db2.gz OFWLWVMVDDVECE-JKSUJKDBSA-N 2 2 371.481 3.544 20 0 FHADLP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000521408184 567884066 /nfs/dbraw/zinc/88/40/66/567884066.db2.gz UUZABDIYAQCFCT-SFTDATJTSA-N 2 2 373.460 3.537 20 0 FHADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194444 567949571 /nfs/dbraw/zinc/94/95/71/567949571.db2.gz IJKVLPVHYGWFQX-OAQYLSRUSA-N 2 2 369.553 3.633 20 0 FHADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000602194444 567949572 /nfs/dbraw/zinc/94/95/72/567949572.db2.gz IJKVLPVHYGWFQX-OAQYLSRUSA-N 2 2 369.553 3.633 20 0 FHADLP c1[nH+]cn2c1c(N1CCC(c3[nH+]cc4n3CCCC4)CC1)nc1ccccc12 ZINC000624168201 567960054 /nfs/dbraw/zinc/96/00/54/567960054.db2.gz AHRORYXPHZWADW-UHFFFAOYSA-N 2 2 372.476 3.799 20 0 FHADLP COC(=O)c1csc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000602667979 568014332 /nfs/dbraw/zinc/01/43/32/568014332.db2.gz RXURGAMBTPXRDY-OALUTQOASA-N 2 2 367.474 3.750 20 0 FHADLP CC[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603874146 568174643 /nfs/dbraw/zinc/17/46/43/568174643.db2.gz YGIMFYPNRVMIDW-CTNGQTDRSA-N 2 2 363.590 3.610 20 0 FHADLP CC[C@H](CC1CCCCC1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603874146 568174644 /nfs/dbraw/zinc/17/46/44/568174644.db2.gz YGIMFYPNRVMIDW-CTNGQTDRSA-N 2 2 363.590 3.610 20 0 FHADLP CCCCCN(CCCCC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208683 568225791 /nfs/dbraw/zinc/22/57/91/568225791.db2.gz KSXLYTTYIAVOOZ-LJQANCHMSA-N 2 2 366.594 3.547 20 0 FHADLP CCCCCN(CCCCC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208683 568225792 /nfs/dbraw/zinc/22/57/92/568225792.db2.gz KSXLYTTYIAVOOZ-LJQANCHMSA-N 2 2 366.594 3.547 20 0 FHADLP Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604319956 568246737 /nfs/dbraw/zinc/24/67/37/568246737.db2.gz RVDRFXUBVKWYPP-QGZVFWFLSA-N 2 2 353.466 3.642 20 0 FHADLP Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1Oc1cc[nH+]cc1 ZINC000604319956 568246738 /nfs/dbraw/zinc/24/67/38/568246738.db2.gz RVDRFXUBVKWYPP-QGZVFWFLSA-N 2 2 353.466 3.642 20 0 FHADLP Cc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1Oc1cc[nH+]cc1 ZINC000604333034 568251395 /nfs/dbraw/zinc/25/13/95/568251395.db2.gz OSARIUCEIHMBSY-INIZCTEOSA-N 2 2 353.466 3.642 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390837791 568307364 /nfs/dbraw/zinc/30/73/64/568307364.db2.gz AQHHMIBLBYHWBA-AVRDEDQJSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390837791 568307365 /nfs/dbraw/zinc/30/73/65/568307365.db2.gz AQHHMIBLBYHWBA-AVRDEDQJSA-N 2 2 356.485 3.637 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365242399 568353690 /nfs/dbraw/zinc/35/36/90/568353690.db2.gz UPSDEUKEVVJLJK-IAGOWNOFSA-N 2 2 352.438 3.622 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365242399 568353691 /nfs/dbraw/zinc/35/36/91/568353691.db2.gz UPSDEUKEVVJLJK-IAGOWNOFSA-N 2 2 352.438 3.622 20 0 FHADLP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605092716 568562235 /nfs/dbraw/zinc/56/22/35/568562235.db2.gz QXGMPUZDKIWGNX-NRFANRHFSA-N 2 2 366.509 3.647 20 0 FHADLP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000605092716 568562237 /nfs/dbraw/zinc/56/22/37/568562237.db2.gz QXGMPUZDKIWGNX-NRFANRHFSA-N 2 2 366.509 3.647 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165657 568593934 /nfs/dbraw/zinc/59/39/34/568593934.db2.gz ONNPWCBJQXWQRG-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165657 568593937 /nfs/dbraw/zinc/59/39/37/568593937.db2.gz ONNPWCBJQXWQRG-YJBOKZPZSA-N 2 2 366.431 3.612 20 0 FHADLP COc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645176 571325865 /nfs/dbraw/zinc/32/58/65/571325865.db2.gz SBVJUQJCLFRECI-PLMTUMEDSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645176 571325866 /nfs/dbraw/zinc/32/58/66/571325866.db2.gz SBVJUQJCLFRECI-PLMTUMEDSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645176 571325867 /nfs/dbraw/zinc/32/58/67/571325867.db2.gz SBVJUQJCLFRECI-PLMTUMEDSA-N 2 2 356.514 3.505 20 0 FHADLP COc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000328645176 571325868 /nfs/dbraw/zinc/32/58/68/571325868.db2.gz SBVJUQJCLFRECI-PLMTUMEDSA-N 2 2 356.514 3.505 20 0 FHADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)[nH+]c(C)c2C)CC3)cs1 ZINC001164691311 719815240 /nfs/dbraw/zinc/81/52/40/719815240.db2.gz FQYKBXIWCWUZHU-UHFFFAOYSA-N 2 2 371.554 3.802 20 0 FHADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)[nH+]c(C)c2C)CC3)cs1 ZINC001164691311 719815241 /nfs/dbraw/zinc/81/52/41/719815241.db2.gz FQYKBXIWCWUZHU-UHFFFAOYSA-N 2 2 371.554 3.802 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807966 720110333 /nfs/dbraw/zinc/11/03/33/720110333.db2.gz DBVLFHZPDXQYRW-XXBNENTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(C)c3ccccc3[nH+]1)C2 ZINC001164807966 720110338 /nfs/dbraw/zinc/11/03/38/720110338.db2.gz DBVLFHZPDXQYRW-XXBNENTESA-N 2 2 365.521 3.728 20 0 FHADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815434 720202191 /nfs/dbraw/zinc/20/21/91/720202191.db2.gz ZDVQHYLBAXEHNV-UGKGYDQZSA-N 2 2 357.542 3.564 20 0 FHADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815434 720202199 /nfs/dbraw/zinc/20/21/99/720202199.db2.gz ZDVQHYLBAXEHNV-UGKGYDQZSA-N 2 2 357.542 3.564 20 0 FHADLP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c([nH+]1)CCC3)C2 ZINC001164907837 721752786 /nfs/dbraw/zinc/75/27/86/721752786.db2.gz BOYKJBBJTFFJEO-UHFFFAOYSA-N 2 2 374.488 3.753 20 0 FHADLP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c([nH+]1)CCC3)C2 ZINC001164907837 721752789 /nfs/dbraw/zinc/75/27/89/721752789.db2.gz BOYKJBBJTFFJEO-UHFFFAOYSA-N 2 2 374.488 3.753 20 0 FHADLP CC[N@H+](CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)CC(C)C ZINC000579732426 927236508 /nfs/dbraw/zinc/23/65/08/927236508.db2.gz UREXPHAGGFOKMH-UHFFFAOYSA-N 2 2 370.541 3.863 20 0 FHADLP CC[N@@H+](CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1)CC(C)C ZINC000579732426 927236517 /nfs/dbraw/zinc/23/65/17/927236517.db2.gz UREXPHAGGFOKMH-UHFFFAOYSA-N 2 2 370.541 3.863 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153524 927366283 /nfs/dbraw/zinc/36/62/83/927366283.db2.gz YNNOODWOBRYJLQ-NRFANRHFSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153524 927366298 /nfs/dbraw/zinc/36/62/98/927366298.db2.gz YNNOODWOBRYJLQ-NRFANRHFSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153524 927366308 /nfs/dbraw/zinc/36/63/08/927366308.db2.gz YNNOODWOBRYJLQ-NRFANRHFSA-N 2 2 372.534 3.863 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCc1cccs1 ZINC000430153524 927366315 /nfs/dbraw/zinc/36/63/15/927366315.db2.gz YNNOODWOBRYJLQ-NRFANRHFSA-N 2 2 372.534 3.863 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(C)cc2C)CC1 ZINC000430219882 928271844 /nfs/dbraw/zinc/27/18/44/928271844.db2.gz OHRQGKLOUXHTGT-UHFFFAOYSA-N 2 2 360.542 3.588 20 0 FHADLP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533390053 928444208 /nfs/dbraw/zinc/44/42/08/928444208.db2.gz WGQFJRMZHQYVOX-LEWJYISDSA-N 2 2 374.488 3.647 20 0 FHADLP O=C(NCc1ccccc1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000533390053 928444216 /nfs/dbraw/zinc/44/42/16/928444216.db2.gz WGQFJRMZHQYVOX-LEWJYISDSA-N 2 2 374.488 3.647 20 0 FHADLP CCC(CC)[N@H+](C[C@@H](C)C(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208720585 928518999 /nfs/dbraw/zinc/51/89/99/928518999.db2.gz GYNFFYOIFBWJOE-GOSISDBHSA-N 2 2 360.542 3.951 20 0 FHADLP CCC(CC)[N@@H+](C[C@@H](C)C(=O)OC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001208720585 928519010 /nfs/dbraw/zinc/51/90/10/928519010.db2.gz GYNFFYOIFBWJOE-GOSISDBHSA-N 2 2 360.542 3.951 20 0 FHADLP Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001167094120 929126322 /nfs/dbraw/zinc/12/63/22/929126322.db2.gz DOQYBPSLGDOBOW-QFIPXVFZSA-N 2 2 354.469 3.995 20 0 FHADLP Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001167094120 929126326 /nfs/dbraw/zinc/12/63/26/929126326.db2.gz DOQYBPSLGDOBOW-QFIPXVFZSA-N 2 2 354.469 3.995 20 0 FHADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc2c(C)cc(Br)cn12 ZINC000583290457 937322839 /nfs/dbraw/zinc/32/28/39/937322839.db2.gz XKHGCEZIZDJQNV-UHFFFAOYSA-N 2 2 367.335 3.569 20 0 FHADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc2c(C)cc(Br)cn12 ZINC000583290457 937322842 /nfs/dbraw/zinc/32/28/42/937322842.db2.gz XKHGCEZIZDJQNV-UHFFFAOYSA-N 2 2 367.335 3.569 20 0 FHADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000162842689 937326406 /nfs/dbraw/zinc/32/64/06/937326406.db2.gz SNCYJLCHNMCSKQ-INIZCTEOSA-N 2 2 354.454 3.581 20 0 FHADLP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000180244312 929428273 /nfs/dbraw/zinc/42/82/73/929428273.db2.gz BPZQCVOZWRRRCV-JOCHJYFZSA-N 2 2 372.484 3.778 20 0 FHADLP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000275094944 929548416 /nfs/dbraw/zinc/54/84/16/929548416.db2.gz VKMMCLSWFRNAIW-OAHLLOKOSA-N 2 2 352.482 3.707 20 0 FHADLP Clc1ccccc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000657750160 937339755 /nfs/dbraw/zinc/33/97/55/937339755.db2.gz BXMQTHUDSPCQFO-INIZCTEOSA-N 2 2 360.885 3.943 20 0 FHADLP CC(C)(C)c1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182949682 929593704 /nfs/dbraw/zinc/59/37/04/929593704.db2.gz KCRWXPYZOQOLEP-UHFFFAOYSA-N 2 2 365.587 3.765 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[NH2+]1 ZINC001210498486 929860634 /nfs/dbraw/zinc/86/06/34/929860634.db2.gz QZKHZOUGVLYCKA-AWEZNQCLSA-N 2 2 365.399 3.831 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3OC(F)(F)F)nc2)CC[NH2+]1 ZINC001210498486 929860640 /nfs/dbraw/zinc/86/06/40/929860640.db2.gz QZKHZOUGVLYCKA-AWEZNQCLSA-N 2 2 365.399 3.831 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(OC)c(OC)c1 ZINC000126370729 937381190 /nfs/dbraw/zinc/38/11/90/937381190.db2.gz LBWBOLVSFSCJQM-SFHVURJKSA-N 2 2 366.465 3.834 20 0 FHADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000118868344 930179573 /nfs/dbraw/zinc/17/95/73/930179573.db2.gz HXOZHCJNBFXLMH-UHFFFAOYSA-N 2 2 358.313 3.596 20 0 FHADLP C[C@@H]1CN(c2ccc(NC3=CC[C@H]([NH+]4CCCC4)CC3)c[nH+]2)C[C@H](C)O1 ZINC001210706700 930186480 /nfs/dbraw/zinc/18/64/80/930186480.db2.gz ZBKPHYVEBPUEOW-QKLQHJQFSA-N 2 2 356.514 3.639 20 0 FHADLP Brc1cccc2c1CC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000091284669 930476979 /nfs/dbraw/zinc/47/69/79/930476979.db2.gz HEYOSSNVNXAYJT-QGZVFWFLSA-N 2 2 360.299 3.802 20 0 FHADLP C[C@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000580363735 930573625 /nfs/dbraw/zinc/57/36/25/930573625.db2.gz LPHZISNSTXTHLC-RXVVDRJESA-N 2 2 361.493 3.791 20 0 FHADLP C[C@H]1C[C@@H](Nc2ccc(Cn3cc[nH+]c3)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580363735 930573628 /nfs/dbraw/zinc/57/36/28/930573628.db2.gz LPHZISNSTXTHLC-RXVVDRJESA-N 2 2 361.493 3.791 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000510334399 931022373 /nfs/dbraw/zinc/02/23/73/931022373.db2.gz RJXVEKDUAAJFLD-UHFFFAOYSA-N 2 2 374.488 3.707 20 0 FHADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744245 931091635 /nfs/dbraw/zinc/09/16/35/931091635.db2.gz IGPNZJWBRJWXIL-YVEFUNNKSA-N 2 2 362.315 3.545 20 0 FHADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000580744245 931091642 /nfs/dbraw/zinc/09/16/42/931091642.db2.gz IGPNZJWBRJWXIL-YVEFUNNKSA-N 2 2 362.315 3.545 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560705 931850160 /nfs/dbraw/zinc/85/01/60/931850160.db2.gz HRPIWLIEVRWZEF-DOTOQJQBSA-N 2 2 366.575 3.503 20 0 FHADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000430560705 931850164 /nfs/dbraw/zinc/85/01/64/931850164.db2.gz HRPIWLIEVRWZEF-DOTOQJQBSA-N 2 2 366.575 3.503 20 0 FHADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000581639331 932364336 /nfs/dbraw/zinc/36/43/36/932364336.db2.gz INWBOCROVMYHNS-IAGOWNOFSA-N 2 2 367.940 3.512 20 0 FHADLP Cc1ncc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)s1 ZINC000090401544 932403524 /nfs/dbraw/zinc/40/35/24/932403524.db2.gz WNVASUPLCLOVSC-QGZVFWFLSA-N 2 2 358.555 3.623 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccnc3ccccc23)cc1F ZINC000656789440 932426697 /nfs/dbraw/zinc/42/66/97/932426697.db2.gz ZJISPRVQKQMUBA-UWJYYQICSA-N 2 2 353.416 3.748 20 0 FHADLP Cc1c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)cnn1C(C)(C)C ZINC000276558493 932675328 /nfs/dbraw/zinc/67/53/28/932675328.db2.gz RRFCZFFSDFYSOL-CRAIPNDOSA-N 2 2 370.545 3.655 20 0 FHADLP CN(C(=O)CC(C)(C)C1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684439581 932823105 /nfs/dbraw/zinc/82/31/05/932823105.db2.gz FGXWWQRCXNZBPU-HXUWFJFHSA-N 2 2 363.590 3.610 20 0 FHADLP CN(C(=O)CC(C)(C)C1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684439581 932823110 /nfs/dbraw/zinc/82/31/10/932823110.db2.gz FGXWWQRCXNZBPU-HXUWFJFHSA-N 2 2 363.590 3.610 20 0 FHADLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000131194682 933380833 /nfs/dbraw/zinc/38/08/33/933380833.db2.gz NXZDUDXCUBNRNE-UHFFFAOYSA-N 3 2 361.549 3.543 20 0 FHADLP Brc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c([nH+]1)CCCC3)CC2 ZINC000510707341 933478332 /nfs/dbraw/zinc/47/83/32/933478332.db2.gz WYPOJEMVFLTJSU-KRWDZBQOSA-N 2 2 360.299 3.802 20 0 FHADLP CC(C)(C)OC(=O)NCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000891847222 933571012 /nfs/dbraw/zinc/57/10/12/933571012.db2.gz WTENSYZTMLORAG-UHFFFAOYSA-N 2 2 370.497 3.814 20 0 FHADLP COC(=O)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(F)c1 ZINC000548423880 933608908 /nfs/dbraw/zinc/60/89/08/933608908.db2.gz YMOQCBVVRYNXGV-UHFFFAOYSA-N 2 2 359.445 3.501 20 0 FHADLP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156558531 933711467 /nfs/dbraw/zinc/71/14/67/933711467.db2.gz QDZAYPHVBKIHBD-VQIMIIECSA-N 2 2 354.498 3.530 20 0 FHADLP CCc1cccc(CC)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156558531 933711469 /nfs/dbraw/zinc/71/14/69/933711469.db2.gz QDZAYPHVBKIHBD-VQIMIIECSA-N 2 2 354.498 3.530 20 0 FHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587952 934099726 /nfs/dbraw/zinc/09/97/26/934099726.db2.gz MHGDTTQXANVXMS-PZJWPPBQSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587952 934099737 /nfs/dbraw/zinc/09/97/37/934099737.db2.gz MHGDTTQXANVXMS-PZJWPPBQSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587952 934099747 /nfs/dbraw/zinc/09/97/47/934099747.db2.gz MHGDTTQXANVXMS-PZJWPPBQSA-N 2 2 356.558 3.768 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000092587952 934099758 /nfs/dbraw/zinc/09/97/58/934099758.db2.gz MHGDTTQXANVXMS-PZJWPPBQSA-N 2 2 356.558 3.768 20 0 FHADLP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000092729137 934149948 /nfs/dbraw/zinc/14/99/48/934149948.db2.gz YKBJJWIMHHGJJM-NRFANRHFSA-N 2 2 367.541 3.669 20 0 FHADLP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000092729137 934149949 /nfs/dbraw/zinc/14/99/49/934149949.db2.gz YKBJJWIMHHGJJM-NRFANRHFSA-N 2 2 367.541 3.669 20 0 FHADLP Cc1csc(N2CCC([NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000151670174 934850946 /nfs/dbraw/zinc/85/09/46/934850946.db2.gz FOYVNTYSTRWBKC-INIZCTEOSA-N 2 2 367.522 3.957 20 0 FHADLP Fc1ccc(COc2ccccc2C[NH2+]CCCn2cc[nH+]c2)c(F)c1 ZINC000657287371 934946220 /nfs/dbraw/zinc/94/62/20/934946220.db2.gz YYDHALHBOZNDBY-UHFFFAOYSA-N 2 2 357.404 3.920 20 0 FHADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C[C@@H](C)O1 ZINC000657294696 934985914 /nfs/dbraw/zinc/98/59/14/934985914.db2.gz DDCQLBJZMISBDR-IAGOWNOFSA-N 2 2 373.472 3.602 20 0 FHADLP Clc1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548622698 935044274 /nfs/dbraw/zinc/04/42/74/935044274.db2.gz DMISEVWONNKEMH-GOSISDBHSA-N 2 2 368.868 3.615 20 0 FHADLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1OC(F)F ZINC000106275875 935165492 /nfs/dbraw/zinc/16/54/92/935165492.db2.gz RALYYMJZHMGSOY-UHFFFAOYSA-N 2 2 373.403 3.831 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665279 935212654 /nfs/dbraw/zinc/21/26/54/935212654.db2.gz XJIAWLBMPGYQNH-YOEHRIQHSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548665279 935212658 /nfs/dbraw/zinc/21/26/58/935212658.db2.gz XJIAWLBMPGYQNH-YOEHRIQHSA-N 2 2 372.900 3.689 20 0 FHADLP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)nnn1C1CCC1 ZINC000657337870 935266044 /nfs/dbraw/zinc/26/60/44/935266044.db2.gz DQKAJDIQXFYUBK-UHFFFAOYSA-N 2 2 353.514 3.669 20 0 FHADLP c1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657338558 935273113 /nfs/dbraw/zinc/27/31/13/935273113.db2.gz BHXNGEXZDSENBL-UHFFFAOYSA-N 2 2 363.465 3.664 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363864 935378079 /nfs/dbraw/zinc/37/80/79/935378079.db2.gz QCTWAPWECXHLDK-UZLBHIALSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363864 935378086 /nfs/dbraw/zinc/37/80/86/935378086.db2.gz QCTWAPWECXHLDK-UZLBHIALSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363862 935378448 /nfs/dbraw/zinc/37/84/48/935378448.db2.gz QCTWAPWECXHLDK-OXJNMPFZSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(OC2CC2)c1F ZINC000657363862 935378454 /nfs/dbraw/zinc/37/84/54/935378454.db2.gz QCTWAPWECXHLDK-OXJNMPFZSA-N 2 2 369.484 3.762 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657365949 935389137 /nfs/dbraw/zinc/38/91/37/935389137.db2.gz LCGDYRVOZNHSRV-AWEZNQCLSA-N 2 2 366.431 3.754 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123958 945101296 /nfs/dbraw/zinc/10/12/96/945101296.db2.gz MIIKSVDEFMWZTO-AZUAARDMSA-N 2 2 370.468 3.597 20 0 FHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123958 945101302 /nfs/dbraw/zinc/10/13/02/945101302.db2.gz MIIKSVDEFMWZTO-AZUAARDMSA-N 2 2 370.468 3.597 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234069 935460521 /nfs/dbraw/zinc/46/05/21/935460521.db2.gz BBVOVAILOKOOEY-DOMZBBRYSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234069 935460524 /nfs/dbraw/zinc/46/05/24/935460524.db2.gz BBVOVAILOKOOEY-DOMZBBRYSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000892234069 935460526 /nfs/dbraw/zinc/46/05/26/935460526.db2.gz BBVOVAILOKOOEY-DOMZBBRYSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000892234069 935460529 /nfs/dbraw/zinc/46/05/29/935460529.db2.gz BBVOVAILOKOOEY-DOMZBBRYSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234072 935460588 /nfs/dbraw/zinc/46/05/88/935460588.db2.gz BBVOVAILOKOOEY-WFASDCNBSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234072 935460591 /nfs/dbraw/zinc/46/05/91/935460591.db2.gz BBVOVAILOKOOEY-WFASDCNBSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000892234072 935460593 /nfs/dbraw/zinc/46/05/93/935460593.db2.gz BBVOVAILOKOOEY-WFASDCNBSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000892234072 935460594 /nfs/dbraw/zinc/46/05/94/935460594.db2.gz BBVOVAILOKOOEY-WFASDCNBSA-N 2 2 359.461 3.697 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000109795440 935521731 /nfs/dbraw/zinc/52/17/31/935521731.db2.gz NISRANLJMVRMCV-XLIONFOSSA-N 2 2 354.498 3.566 20 0 FHADLP c1c2ccncc2sc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000657447887 935790048 /nfs/dbraw/zinc/79/00/48/935790048.db2.gz SGIRBZHARNZSMX-IBGZPJMESA-N 2 2 367.518 3.677 20 0 FHADLP c1c2ccncc2sc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000657447887 935790050 /nfs/dbraw/zinc/79/00/50/935790050.db2.gz SGIRBZHARNZSMX-IBGZPJMESA-N 2 2 367.518 3.677 20 0 FHADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)Cc2ccc(O)cc2)CCOCC1)c1ccccc1 ZINC000511168998 935849180 /nfs/dbraw/zinc/84/91/80/935849180.db2.gz JJNBEDROJUOFDS-RBUKOAKNSA-N 2 2 368.521 3.813 20 0 FHADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1OC(C)C ZINC000237364119 935958545 /nfs/dbraw/zinc/95/85/45/935958545.db2.gz ZKYJZBBPXBWODL-UHFFFAOYSA-N 2 2 355.482 3.636 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075532995 936009022 /nfs/dbraw/zinc/00/90/22/936009022.db2.gz NKDUQBBNQFIXRI-LJQANCHMSA-N 2 2 354.498 3.660 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075532995 936009025 /nfs/dbraw/zinc/00/90/25/936009025.db2.gz NKDUQBBNQFIXRI-LJQANCHMSA-N 2 2 354.498 3.660 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000472253668 936050903 /nfs/dbraw/zinc/05/09/03/936050903.db2.gz AYMWKNDTHDKEPW-HXUWFJFHSA-N 2 2 373.566 3.667 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000472253668 936050905 /nfs/dbraw/zinc/05/09/05/936050905.db2.gz AYMWKNDTHDKEPW-HXUWFJFHSA-N 2 2 373.566 3.667 20 0 FHADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793785 936130597 /nfs/dbraw/zinc/13/05/97/936130597.db2.gz OODUZNLYVOWTIB-KDOFPFPSSA-N 2 2 367.415 3.834 20 0 FHADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000582793785 936130599 /nfs/dbraw/zinc/13/05/99/936130599.db2.gz OODUZNLYVOWTIB-KDOFPFPSSA-N 2 2 367.415 3.834 20 0 FHADLP Clc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCO2 ZINC000548798487 938283146 /nfs/dbraw/zinc/28/31/46/938283146.db2.gz XXMJGRSHLYCBDM-OAHLLOKOSA-N 2 2 373.884 3.981 20 0 FHADLP Clc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc2c1OCO2 ZINC000548798487 938283147 /nfs/dbraw/zinc/28/31/47/938283147.db2.gz XXMJGRSHLYCBDM-OAHLLOKOSA-N 2 2 373.884 3.981 20 0 FHADLP CN(CCC[N@H+](C)Cc1nc(C2CCCCC2)cs1)CC[NH+](C)C ZINC000583716477 938374811 /nfs/dbraw/zinc/37/48/11/938374811.db2.gz DOUBJSWURDGEOX-UHFFFAOYSA-N 2 2 352.592 3.506 20 0 FHADLP CN(CCC[N@@H+](C)Cc1nc(C2CCCCC2)cs1)CC[NH+](C)C ZINC000583716477 938374812 /nfs/dbraw/zinc/37/48/12/938374812.db2.gz DOUBJSWURDGEOX-UHFFFAOYSA-N 2 2 352.592 3.506 20 0 FHADLP CN(CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000584050193 938570966 /nfs/dbraw/zinc/57/09/66/938570966.db2.gz MPUMOUKUENAELF-UHFFFAOYSA-N 2 2 366.553 3.547 20 0 FHADLP CN(CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000584050193 938570967 /nfs/dbraw/zinc/57/09/67/938570967.db2.gz MPUMOUKUENAELF-UHFFFAOYSA-N 2 2 366.553 3.547 20 0 FHADLP c1cn2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc2s1 ZINC000278649693 938615719 /nfs/dbraw/zinc/61/57/19/938615719.db2.gz IBQQHZKGGXPECE-LUPIEILUSA-N 2 2 352.507 3.681 20 0 FHADLP c1cn2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)nc2s1 ZINC000278649693 938615722 /nfs/dbraw/zinc/61/57/22/938615722.db2.gz IBQQHZKGGXPECE-LUPIEILUSA-N 2 2 352.507 3.681 20 0 FHADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584351075 938696191 /nfs/dbraw/zinc/69/61/91/938696191.db2.gz PKEMABDBEUIKMJ-WCRBZPEASA-N 2 2 366.553 3.944 20 0 FHADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584351075 938696194 /nfs/dbraw/zinc/69/61/94/938696194.db2.gz PKEMABDBEUIKMJ-WCRBZPEASA-N 2 2 366.553 3.944 20 0 FHADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080960567 938710354 /nfs/dbraw/zinc/71/03/54/938710354.db2.gz QCIZUXQJMGIVBZ-GOSISDBHSA-N 2 2 362.477 3.795 20 0 FHADLP CCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc2ccccc21 ZINC000080960567 938710356 /nfs/dbraw/zinc/71/03/56/938710356.db2.gz QCIZUXQJMGIVBZ-GOSISDBHSA-N 2 2 362.477 3.795 20 0 FHADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000089697263 938862922 /nfs/dbraw/zinc/86/29/22/938862922.db2.gz IYRNYPLGHFEPFG-HNNXBMFYSA-N 2 2 352.251 3.842 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C(=O)N1c1ccccc1 ZINC000090115610 938876723 /nfs/dbraw/zinc/87/67/23/938876723.db2.gz VSZNJSLGSPHQSZ-LAUBAEHRSA-N 2 2 355.526 3.567 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000090667895 938881909 /nfs/dbraw/zinc/88/19/09/938881909.db2.gz VHOICCQFUFSCCU-LJQANCHMSA-N 2 2 364.537 3.866 20 0 FHADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC000091413384 938900870 /nfs/dbraw/zinc/90/08/70/938900870.db2.gz MGHJJAPLHWDBHW-JOCHJYFZSA-N 2 2 374.475 3.949 20 0 FHADLP CC[N@H+](C)[C@@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccccc1 ZINC000685312980 938922703 /nfs/dbraw/zinc/92/27/03/938922703.db2.gz NTIIMJHCRWSZME-LJQANCHMSA-N 2 2 368.456 3.978 20 0 FHADLP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1)c1ccccc1 ZINC000685312980 938922705 /nfs/dbraw/zinc/92/27/05/938922705.db2.gz NTIIMJHCRWSZME-LJQANCHMSA-N 2 2 368.456 3.978 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443026 938986886 /nfs/dbraw/zinc/98/68/86/938986886.db2.gz JFBIDODWAQPPPW-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443026 938986887 /nfs/dbraw/zinc/98/68/87/938986887.db2.gz JFBIDODWAQPPPW-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443026 938986888 /nfs/dbraw/zinc/98/68/88/938986888.db2.gz JFBIDODWAQPPPW-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(OC)c1 ZINC000685443026 938986889 /nfs/dbraw/zinc/98/68/89/938986889.db2.gz JFBIDODWAQPPPW-HSZRJFAPSA-N 2 2 366.505 3.802 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443039 938986961 /nfs/dbraw/zinc/98/69/61/938986961.db2.gz KDTLBMNOWHHSCG-JOCHJYFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000685443039 938986962 /nfs/dbraw/zinc/98/69/62/938986962.db2.gz KDTLBMNOWHHSCG-JOCHJYFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000685443039 938986963 /nfs/dbraw/zinc/98/69/63/938986963.db2.gz KDTLBMNOWHHSCG-JOCHJYFZSA-N 2 2 352.526 3.805 20 0 FHADLP CC(C)(C)c1n[nH]cc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000685443039 938986964 /nfs/dbraw/zinc/98/69/64/938986964.db2.gz KDTLBMNOWHHSCG-JOCHJYFZSA-N 2 2 352.526 3.805 20 0 FHADLP COc1ccc(Br)cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000302831128 938987045 /nfs/dbraw/zinc/98/70/45/938987045.db2.gz ANMGBJLUCSCZMT-INIZCTEOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000302831128 938987046 /nfs/dbraw/zinc/98/70/46/938987046.db2.gz ANMGBJLUCSCZMT-INIZCTEOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000302831128 938987047 /nfs/dbraw/zinc/98/70/47/938987047.db2.gz ANMGBJLUCSCZMT-INIZCTEOSA-N 2 2 355.320 3.764 20 0 FHADLP COc1ccc(Br)cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000302831128 938987048 /nfs/dbraw/zinc/98/70/48/938987048.db2.gz ANMGBJLUCSCZMT-INIZCTEOSA-N 2 2 355.320 3.764 20 0 FHADLP CN(Cc1csc(Cl)c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457115 938987872 /nfs/dbraw/zinc/98/78/72/938987872.db2.gz DPUUVOGJIYHAJN-CQSZACIVSA-N 2 2 362.370 3.655 20 0 FHADLP CN(Cc1csc(Cl)c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457115 938987873 /nfs/dbraw/zinc/98/78/73/938987873.db2.gz DPUUVOGJIYHAJN-CQSZACIVSA-N 2 2 362.370 3.655 20 0 FHADLP CN(Cc1ccccc1OC1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457685 938987902 /nfs/dbraw/zinc/98/79/02/938987902.db2.gz JMZAWCAVMDULTD-NRFANRHFSA-N 2 2 371.569 3.608 20 0 FHADLP CN(Cc1ccccc1OC1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457685 938987903 /nfs/dbraw/zinc/98/79/03/938987903.db2.gz JMZAWCAVMDULTD-NRFANRHFSA-N 2 2 371.569 3.608 20 0 FHADLP CSc1cc(Br)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000685470125 938989222 /nfs/dbraw/zinc/98/92/22/938989222.db2.gz ZBFNKCOTOVGCLT-WFASDCNBSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000685470125 938989223 /nfs/dbraw/zinc/98/92/23/938989223.db2.gz ZBFNKCOTOVGCLT-WFASDCNBSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000685470125 938989221 /nfs/dbraw/zinc/98/92/21/938989221.db2.gz ZBFNKCOTOVGCLT-WFASDCNBSA-N 2 2 357.361 3.943 20 0 FHADLP CSc1cc(Br)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000685470125 938989224 /nfs/dbraw/zinc/98/92/24/938989224.db2.gz ZBFNKCOTOVGCLT-WFASDCNBSA-N 2 2 357.361 3.943 20 0 FHADLP CCCn1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336751 939015813 /nfs/dbraw/zinc/01/58/13/939015813.db2.gz CQQJSWBWEFGRHH-OAQYLSRUSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336751 939015814 /nfs/dbraw/zinc/01/58/14/939015814.db2.gz CQQJSWBWEFGRHH-OAQYLSRUSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336751 939015815 /nfs/dbraw/zinc/01/58/15/939015815.db2.gz CQQJSWBWEFGRHH-OAQYLSRUSA-N 2 2 354.542 3.864 20 0 FHADLP CCCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336751 939015816 /nfs/dbraw/zinc/01/58/16/939015816.db2.gz CQQJSWBWEFGRHH-OAQYLSRUSA-N 2 2 354.542 3.864 20 0 FHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658019968 939018944 /nfs/dbraw/zinc/01/89/44/939018944.db2.gz PWWJEOALNDGHQM-NVXWUHKLSA-N 2 2 362.315 3.886 20 0 FHADLP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000658162826 939051765 /nfs/dbraw/zinc/05/17/65/939051765.db2.gz GGWREIUECMKCNO-QFIPXVFZSA-N 2 2 354.494 3.637 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000658229585 939075464 /nfs/dbraw/zinc/07/54/64/939075464.db2.gz RZMYJXNKNZUTAE-MJGOQNOKSA-N 2 2 357.542 3.963 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000658229585 939075465 /nfs/dbraw/zinc/07/54/65/939075465.db2.gz RZMYJXNKNZUTAE-MJGOQNOKSA-N 2 2 357.542 3.963 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000658294035 939100028 /nfs/dbraw/zinc/10/00/28/939100028.db2.gz FAEIUTPFBPKWRW-DRPJVOAASA-N 2 2 354.947 3.736 20 0 FHADLP COc1ccccc1[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000658295968 939101739 /nfs/dbraw/zinc/10/17/39/939101739.db2.gz WPPGXFMYYZSTGT-DENIHFKCSA-N 2 2 358.526 3.769 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(-c2ccncc2)c1 ZINC000658296337 939102270 /nfs/dbraw/zinc/10/22/70/939102270.db2.gz YYIOMFKFMXYNQQ-VGOFRKELSA-N 2 2 351.494 3.653 20 0 FHADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCO2 ZINC000658296312 939102291 /nfs/dbraw/zinc/10/22/91/939102291.db2.gz YTGDNVOOQPZJPX-CTNGQTDRSA-N 2 2 358.526 3.867 20 0 FHADLP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000519220781 945227581 /nfs/dbraw/zinc/22/75/81/945227581.db2.gz VPMNTNUZJMIWFU-RVDMUPIBSA-N 2 2 356.432 3.809 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000438979099 945284810 /nfs/dbraw/zinc/28/48/10/945284810.db2.gz NRYQYFNADDUNKK-OAHLLOKOSA-N 2 2 364.449 3.690 20 0 FHADLP CCCCC[C@@](C)(CC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366662895 945291597 /nfs/dbraw/zinc/29/15/97/945291597.db2.gz MJJTXEFKYCVNBU-OAQYLSRUSA-N 2 2 351.579 3.658 20 0 FHADLP CC(C)c1nnc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)s1 ZINC000892510730 940237427 /nfs/dbraw/zinc/23/74/27/940237427.db2.gz SGXMCJXMUCNUBF-HOTGVXAUSA-N 2 2 374.554 3.561 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])c2)cc1 ZINC000647496815 940357147 /nfs/dbraw/zinc/35/71/47/940357147.db2.gz VBNDHRUBYMPDHM-IERDGZPVSA-N 2 2 367.493 3.507 20 0 FHADLP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](C)[C@@H]3C[NH3+])c2)cc1 ZINC000647496815 940357153 /nfs/dbraw/zinc/35/71/53/940357153.db2.gz VBNDHRUBYMPDHM-IERDGZPVSA-N 2 2 367.493 3.507 20 0 FHADLP CN(C)[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000156176125 940420067 /nfs/dbraw/zinc/42/00/67/940420067.db2.gz ABLDTZIKQRGXOS-HSZRJFAPSA-N 2 2 369.528 3.725 20 0 FHADLP Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(-c2ccnn2C)c1 ZINC000548984103 940435585 /nfs/dbraw/zinc/43/55/85/940435585.db2.gz NTXMEESHEZKHRY-UHFFFAOYSA-N 2 2 371.488 3.930 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1NC(C)=O ZINC000177806886 940443518 /nfs/dbraw/zinc/44/35/18/940443518.db2.gz OBHSJEHAQYFDPA-OAHLLOKOSA-N 2 2 364.449 3.690 20 0 FHADLP COc1ccc(C[C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414090965 940496291 /nfs/dbraw/zinc/49/62/91/940496291.db2.gz DBSCVBHGYSMHFU-WIYYLYMNSA-N 2 2 364.493 3.866 20 0 FHADLP FC(F)(F)c1cccc(N2CC[NH+](CCCNc3cccc[nH+]3)CC2)c1 ZINC000613440155 940711086 /nfs/dbraw/zinc/71/10/86/940711086.db2.gz QVJGXLHOBYCRKJ-UHFFFAOYSA-N 2 2 364.415 3.725 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233074 940809055 /nfs/dbraw/zinc/80/90/55/940809055.db2.gz QWXYBDUAUSSMRF-UTKZUKDTSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233074 940809058 /nfs/dbraw/zinc/80/90/58/940809058.db2.gz QWXYBDUAUSSMRF-UTKZUKDTSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233076 940809287 /nfs/dbraw/zinc/80/92/87/940809287.db2.gz QWXYBDUAUSSMRF-UWJYYQICSA-N 2 2 352.526 3.774 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cnccc1C(C)(C)C ZINC000414233076 940809289 /nfs/dbraw/zinc/80/92/89/940809289.db2.gz QWXYBDUAUSSMRF-UWJYYQICSA-N 2 2 352.526 3.774 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186205258 940959979 /nfs/dbraw/zinc/95/99/79/940959979.db2.gz VYTYVEZFEWGQDB-UHFFFAOYSA-N 2 2 366.278 3.932 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000186205258 940959982 /nfs/dbraw/zinc/95/99/82/940959982.db2.gz VYTYVEZFEWGQDB-UHFFFAOYSA-N 2 2 366.278 3.932 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000472585125 940969050 /nfs/dbraw/zinc/96/90/50/940969050.db2.gz WLKZJVVAQMMKBG-RXVVDRJESA-N 2 2 365.512 3.908 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000472585125 940969053 /nfs/dbraw/zinc/96/90/53/940969053.db2.gz WLKZJVVAQMMKBG-RXVVDRJESA-N 2 2 365.512 3.908 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414337659 941002184 /nfs/dbraw/zinc/00/21/84/941002184.db2.gz DTXBNARADSKTTK-QFBILLFUSA-N 2 2 350.441 3.941 20 0 FHADLP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000414352704 941033510 /nfs/dbraw/zinc/03/35/10/941033510.db2.gz UKGGIDQRRJOXAO-INIZCTEOSA-N 2 2 366.484 3.902 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(N(C)C)[nH+]1 ZINC000162484122 941037598 /nfs/dbraw/zinc/03/75/98/941037598.db2.gz RPSRLICEMOPUKR-SFHVURJKSA-N 2 2 373.545 3.576 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530458 941115777 /nfs/dbraw/zinc/11/57/77/941115777.db2.gz OUUDJNZZVUVBPL-AWEZNQCLSA-N 2 2 371.407 3.687 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000376530458 941115779 /nfs/dbraw/zinc/11/57/79/941115779.db2.gz OUUDJNZZVUVBPL-AWEZNQCLSA-N 2 2 371.407 3.687 20 0 FHADLP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C12CCC2 ZINC000166222390 941226626 /nfs/dbraw/zinc/22/66/26/941226626.db2.gz RCRHKAQAEIBYSW-LEWJYISDSA-N 2 2 357.542 3.659 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000376770583 941428271 /nfs/dbraw/zinc/42/82/71/941428271.db2.gz CBYASAMRMFHJSG-YZVOILCLSA-N 2 2 374.916 3.700 20 0 FHADLP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1Cl ZINC000376770583 941428272 /nfs/dbraw/zinc/42/82/72/941428272.db2.gz CBYASAMRMFHJSG-YZVOILCLSA-N 2 2 374.916 3.700 20 0 FHADLP Fc1ccc(Oc2ccccc2C[NH2+]C[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000415030148 941553799 /nfs/dbraw/zinc/55/37/99/941553799.db2.gz CCQCPBAFKIHYFK-MRXNPFEDSA-N 2 2 364.848 3.740 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415084669 941595494 /nfs/dbraw/zinc/59/54/94/941595494.db2.gz PFKYXVHBYGGCDR-SXSPYAJSSA-N 2 2 364.537 3.690 20 0 FHADLP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415084669 941595495 /nfs/dbraw/zinc/59/54/95/941595495.db2.gz PFKYXVHBYGGCDR-SXSPYAJSSA-N 2 2 364.537 3.690 20 0 FHADLP Cc1cn2cc(NC(=O)NCC[C@H](C)[N@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000472751389 941679675 /nfs/dbraw/zinc/67/96/75/941679675.db2.gz NSAJQKPMIKUWJJ-KRWDZBQOSA-N 2 2 365.481 3.675 20 0 FHADLP Cc1cn2cc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc3ccccc3)ccc2[nH+]1 ZINC000472751389 941679677 /nfs/dbraw/zinc/67/96/77/941679677.db2.gz NSAJQKPMIKUWJJ-KRWDZBQOSA-N 2 2 365.481 3.675 20 0 FHADLP Clc1ccc(OCc2nc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cs2)cc1 ZINC000377398248 941692880 /nfs/dbraw/zinc/69/28/80/941692880.db2.gz JJICUQOVWYXZFU-ZDUSSCGKSA-N 2 2 374.897 3.746 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1)C(C)C ZINC000729337787 941722779 /nfs/dbraw/zinc/72/27/79/941722779.db2.gz HBUZGFCUNDZFCV-HXUWFJFHSA-N 2 2 370.541 3.958 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1)C(C)C ZINC000729337787 941722781 /nfs/dbraw/zinc/72/27/81/941722781.db2.gz HBUZGFCUNDZFCV-HXUWFJFHSA-N 2 2 370.541 3.958 20 0 FHADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000472770648 941732405 /nfs/dbraw/zinc/73/24/05/941732405.db2.gz MKBMZRDCZRWIBJ-BAGYTPMASA-N 2 2 356.485 3.749 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cn2ccc(C(F)(F)F)n2)CC1 ZINC000066793783 941821379 /nfs/dbraw/zinc/82/13/79/941821379.db2.gz RVQYKAZPFJHHAC-UHFFFAOYSA-N 2 2 366.431 3.703 20 0 FHADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2ccc(C(F)(F)F)n2)CC1 ZINC000066793783 941821382 /nfs/dbraw/zinc/82/13/82/941821382.db2.gz RVQYKAZPFJHHAC-UHFFFAOYSA-N 2 2 366.431 3.703 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000377652410 941871362 /nfs/dbraw/zinc/87/13/62/941871362.db2.gz KRSUBMFDMPUITO-HNNXBMFYSA-N 2 2 373.522 3.504 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000119319248 941879420 /nfs/dbraw/zinc/87/94/20/941879420.db2.gz XIHNNFRWVYAPBS-CABCVRRESA-N 2 2 371.447 3.887 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000377702842 941918528 /nfs/dbraw/zinc/91/85/28/941918528.db2.gz PPMRUQRUCPSRCA-BPXKWBHBSA-N 2 2 367.493 3.587 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc2c(c1)OCCCO2 ZINC000377702842 941918530 /nfs/dbraw/zinc/91/85/30/941918530.db2.gz PPMRUQRUCPSRCA-BPXKWBHBSA-N 2 2 367.493 3.587 20 0 FHADLP COc1cc([C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711447 941922235 /nfs/dbraw/zinc/92/22/35/941922235.db2.gz ZVMKHCMQABLKLB-HZUJVAHNSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711447 941922239 /nfs/dbraw/zinc/92/22/39/941922239.db2.gz ZVMKHCMQABLKLB-HZUJVAHNSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711447 941922242 /nfs/dbraw/zinc/92/22/42/941922242.db2.gz ZVMKHCMQABLKLB-HZUJVAHNSA-N 2 2 374.504 3.644 20 0 FHADLP COc1cc([C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1F ZINC000377711447 941922245 /nfs/dbraw/zinc/92/22/45/941922245.db2.gz ZVMKHCMQABLKLB-HZUJVAHNSA-N 2 2 374.504 3.644 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000513517668 941978252 /nfs/dbraw/zinc/97/82/52/941978252.db2.gz JIFKBWUGDJZNOR-ZJMJOCHXSA-N 2 2 353.510 3.942 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000513517668 941978255 /nfs/dbraw/zinc/97/82/55/941978255.db2.gz JIFKBWUGDJZNOR-ZJMJOCHXSA-N 2 2 353.510 3.942 20 0 FHADLP c1cn(-c2ccccc2C[NH2+][C@H](Cc2ccccn2)c2cccnc2)c[nH+]1 ZINC000513513428 941983779 /nfs/dbraw/zinc/98/37/79/941983779.db2.gz SKQLJKJDIQRUCB-OAQYLSRUSA-N 2 2 355.445 3.736 20 0 FHADLP C[N@H+](Cc1ccc(-c2ccccc2Cl)s1)C1CC[NH+](CCO)CC1 ZINC000513531679 942001023 /nfs/dbraw/zinc/00/10/23/942001023.db2.gz XUKIBCSVSXBZCH-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP C[N@@H+](Cc1ccc(-c2ccccc2Cl)s1)C1CC[NH+](CCO)CC1 ZINC000513531679 942001028 /nfs/dbraw/zinc/00/10/28/942001028.db2.gz XUKIBCSVSXBZCH-UHFFFAOYSA-N 2 2 364.942 3.957 20 0 FHADLP Cc1nn(C(C)C)c(C)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000893082058 942004809 /nfs/dbraw/zinc/00/48/09/942004809.db2.gz VTKVNVAQTWOTMB-UHFFFAOYSA-N 2 2 369.557 3.905 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1csc(COc3ccccc3)n1)CCC2 ZINC000377833184 942028796 /nfs/dbraw/zinc/02/87/96/942028796.db2.gz XDOKCEAPDJSIOD-INIZCTEOSA-N 2 2 368.506 3.894 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377864413 942040450 /nfs/dbraw/zinc/04/04/50/942040450.db2.gz MSYPQEOJRGRHIJ-FNORWQNLSA-N 2 2 365.521 3.742 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377864413 942040452 /nfs/dbraw/zinc/04/04/52/942040452.db2.gz MSYPQEOJRGRHIJ-FNORWQNLSA-N 2 2 365.521 3.742 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040773 /nfs/dbraw/zinc/04/07/73/942040773.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 2 2 370.516 3.977 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040776 /nfs/dbraw/zinc/04/07/76/942040776.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 2 2 370.516 3.977 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040782 /nfs/dbraw/zinc/04/07/82/942040782.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 2 2 370.516 3.977 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C/C=C/c2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000434013844 942040787 /nfs/dbraw/zinc/04/07/87/942040787.db2.gz VLEAZTJXJDUDAQ-XCNHPSGJSA-N 2 2 370.516 3.977 20 0 FHADLP CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000377901055 942060220 /nfs/dbraw/zinc/06/02/20/942060220.db2.gz FNDKQJJSHBZMBC-UHFFFAOYSA-N 2 2 371.500 3.758 20 0 FHADLP CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1F ZINC000377901055 942060224 /nfs/dbraw/zinc/06/02/24/942060224.db2.gz FNDKQJJSHBZMBC-UHFFFAOYSA-N 2 2 371.500 3.758 20 0 FHADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000513661150 942070599 /nfs/dbraw/zinc/07/05/99/942070599.db2.gz NBCYKTLJMZSTHW-HXUWFJFHSA-N 2 2 353.510 3.549 20 0 FHADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000513661150 942070605 /nfs/dbraw/zinc/07/06/05/942070605.db2.gz NBCYKTLJMZSTHW-HXUWFJFHSA-N 2 2 353.510 3.549 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000513661149 942070649 /nfs/dbraw/zinc/07/06/49/942070649.db2.gz NBCYKTLJMZSTHW-FQEVSTJZSA-N 2 2 353.510 3.549 20 0 FHADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000513661149 942070654 /nfs/dbraw/zinc/07/06/54/942070654.db2.gz NBCYKTLJMZSTHW-FQEVSTJZSA-N 2 2 353.510 3.549 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000377961120 942100840 /nfs/dbraw/zinc/10/08/40/942100840.db2.gz RLYNVKMEIAGMMD-VPWXQRGCSA-N 2 2 358.555 3.876 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000377961120 942100844 /nfs/dbraw/zinc/10/08/44/942100844.db2.gz RLYNVKMEIAGMMD-VPWXQRGCSA-N 2 2 358.555 3.876 20 0 FHADLP CC1CCN(C(=[NH2+])NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000469131392 942227356 /nfs/dbraw/zinc/22/73/56/942227356.db2.gz YBGFNKIHRJWRKE-MRXNPFEDSA-N 2 2 356.436 3.564 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000420983230 942281465 /nfs/dbraw/zinc/28/14/65/942281465.db2.gz QEXAGUKVHMALHN-QGZVFWFLSA-N 2 2 362.562 3.525 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000420983230 942281468 /nfs/dbraw/zinc/28/14/68/942281468.db2.gz QEXAGUKVHMALHN-QGZVFWFLSA-N 2 2 362.562 3.525 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977424 942287695 /nfs/dbraw/zinc/28/76/95/942287695.db2.gz ICGDXQBAZZAPQQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977424 942287699 /nfs/dbraw/zinc/28/76/99/942287699.db2.gz ICGDXQBAZZAPQQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977424 942287703 /nfs/dbraw/zinc/28/77/03/942287703.db2.gz ICGDXQBAZZAPQQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000420977424 942287706 /nfs/dbraw/zinc/28/77/06/942287706.db2.gz ICGDXQBAZZAPQQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000180120706 942326352 /nfs/dbraw/zinc/32/63/52/942326352.db2.gz BHYVXDACLXAHOV-VYMRPNJYSA-N 2 2 353.551 3.532 20 0 FHADLP C[C@@H](C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000180120706 942326359 /nfs/dbraw/zinc/32/63/59/942326359.db2.gz BHYVXDACLXAHOV-VYMRPNJYSA-N 2 2 353.551 3.532 20 0 FHADLP COc1cc(C)c(C[C@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000502281675 942330988 /nfs/dbraw/zinc/33/09/88/942330988.db2.gz LUSAWWOTVPDZKU-KRWDZBQOSA-N 2 2 365.477 3.919 20 0 FHADLP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000378182732 942359575 /nfs/dbraw/zinc/35/95/75/942359575.db2.gz KEBKSJXFRPQRMC-MRXNPFEDSA-N 3 2 365.512 3.812 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)cn1 ZINC000502341995 942370324 /nfs/dbraw/zinc/37/03/24/942370324.db2.gz QHPNXQBFGMPKTB-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)cc2)cn1 ZINC000502341995 942370326 /nfs/dbraw/zinc/37/03/26/942370326.db2.gz QHPNXQBFGMPKTB-IBGZPJMESA-N 2 2 361.493 3.785 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502362690 942380689 /nfs/dbraw/zinc/38/06/89/942380689.db2.gz WNEQCKZLCQVAPO-IBGZPJMESA-N 2 2 352.482 3.707 20 0 FHADLP C[NH+](C)[C@@H](CC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000416204581 942475604 /nfs/dbraw/zinc/47/56/04/942475604.db2.gz OYRUNYJUCGATSD-NRFANRHFSA-N 2 2 368.525 3.595 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414835354 942518901 /nfs/dbraw/zinc/51/89/01/942518901.db2.gz RPMSEUOCXKCXGQ-BBRMVZONSA-N 2 2 365.399 3.712 20 0 FHADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899248 942587686 /nfs/dbraw/zinc/58/76/86/942587686.db2.gz DVNOYGSIIMZQHG-YVWKXTFCSA-N 2 2 351.494 3.631 20 0 FHADLP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899248 942587693 /nfs/dbraw/zinc/58/76/93/942587693.db2.gz DVNOYGSIIMZQHG-YVWKXTFCSA-N 2 2 351.494 3.631 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844588 942611973 /nfs/dbraw/zinc/61/19/73/942611973.db2.gz KXKSPKPZROKEQK-XMSQKQJNSA-N 2 2 367.537 3.537 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342578 942619074 /nfs/dbraw/zinc/61/90/74/942619074.db2.gz OZOYAADPSDMXTH-DCGLDWPTSA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342578 942619078 /nfs/dbraw/zinc/61/90/78/942619078.db2.gz OZOYAADPSDMXTH-DCGLDWPTSA-N 2 2 352.935 3.869 20 0 FHADLP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)[C@@H](C[NH3+])C1CC1 ZINC000420320925 942622239 /nfs/dbraw/zinc/62/22/39/942622239.db2.gz UOGPJTNSGMQTGV-HNNXBMFYSA-N 2 2 360.914 3.885 20 0 FHADLP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)[C@@H](C[NH3+])C1CC1 ZINC000420320925 942622244 /nfs/dbraw/zinc/62/22/44/942622244.db2.gz UOGPJTNSGMQTGV-HNNXBMFYSA-N 2 2 360.914 3.885 20 0 FHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cc2)c1 ZINC000420358710 942636837 /nfs/dbraw/zinc/63/68/37/942636837.db2.gz IYXLVMGGJSUOFZ-HXUWFJFHSA-N 2 2 367.493 3.704 20 0 FHADLP CCOCCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000463190167 942742394 /nfs/dbraw/zinc/74/23/94/942742394.db2.gz ISWOOQUSIOUHFQ-UHFFFAOYSA-N 2 2 350.469 3.980 20 0 FHADLP CO[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000659991594 942788461 /nfs/dbraw/zinc/78/84/61/942788461.db2.gz WKSHSWNSJKQVIZ-QFIPXVFZSA-N 2 2 359.558 3.616 20 0 FHADLP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C1CCCCC1 ZINC000659991594 942788464 /nfs/dbraw/zinc/78/84/64/942788464.db2.gz WKSHSWNSJKQVIZ-QFIPXVFZSA-N 2 2 359.558 3.616 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470057 942800417 /nfs/dbraw/zinc/80/04/17/942800417.db2.gz AQJCOMFDUQHUEF-HZUJVAHNSA-N 2 2 352.482 3.900 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cc2ccccc2o1 ZINC000378470057 942800425 /nfs/dbraw/zinc/80/04/25/942800425.db2.gz AQJCOMFDUQHUEF-HZUJVAHNSA-N 2 2 352.482 3.900 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000378470600 942806772 /nfs/dbraw/zinc/80/67/72/942806772.db2.gz CJTSOZXGXDXOOK-MNDCFMPDSA-N 2 2 370.541 3.593 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000378470600 942806774 /nfs/dbraw/zinc/80/67/74/942806774.db2.gz CJTSOZXGXDXOOK-MNDCFMPDSA-N 2 2 370.541 3.593 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccncc1Cl ZINC000421824200 942832820 /nfs/dbraw/zinc/83/28/20/942832820.db2.gz HLWXLVKVFMSOBP-JKSUJKDBSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccncc1Cl ZINC000421824200 942832823 /nfs/dbraw/zinc/83/28/23/942832823.db2.gz HLWXLVKVFMSOBP-JKSUJKDBSA-N 2 2 359.901 3.807 20 0 FHADLP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414849964 942836626 /nfs/dbraw/zinc/83/66/26/942836626.db2.gz RUBDOWYZFIZMHS-IERDGZPVSA-N 2 2 369.509 3.825 20 0 FHADLP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434665755 942851765 /nfs/dbraw/zinc/85/17/65/942851765.db2.gz NLGIXGJMPPKVPU-FQEVSTJZSA-N 2 2 367.493 3.703 20 0 FHADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000414850564 942867622 /nfs/dbraw/zinc/86/76/22/942867622.db2.gz SOVJEBONGNCVFO-KKSFZXQISA-N 2 2 369.509 3.825 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434733251 942900488 /nfs/dbraw/zinc/90/04/88/942900488.db2.gz AVGVGLJFLZDSAM-RBBKRZOGSA-N 2 2 354.542 3.758 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434733251 942900491 /nfs/dbraw/zinc/90/04/91/942900491.db2.gz AVGVGLJFLZDSAM-RBBKRZOGSA-N 2 2 354.542 3.758 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434733251 942900495 /nfs/dbraw/zinc/90/04/95/942900495.db2.gz AVGVGLJFLZDSAM-RBBKRZOGSA-N 2 2 354.542 3.758 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434733251 942900500 /nfs/dbraw/zinc/90/05/00/942900500.db2.gz AVGVGLJFLZDSAM-RBBKRZOGSA-N 2 2 354.542 3.758 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000422023993 942941824 /nfs/dbraw/zinc/94/18/24/942941824.db2.gz QEHDSSKMQZMTRW-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)CC3CCCCC3)CC2)CC1 ZINC000422023993 942941830 /nfs/dbraw/zinc/94/18/30/942941830.db2.gz QEHDSSKMQZMTRW-LJQANCHMSA-N 2 2 363.590 3.612 20 0 FHADLP CC[C@@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422018731 942953712 /nfs/dbraw/zinc/95/37/12/942953712.db2.gz KOONSZMLDPQDFW-FQEVSTJZSA-N 2 2 371.569 3.589 20 0 FHADLP CC[C@@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422018731 942953713 /nfs/dbraw/zinc/95/37/13/942953713.db2.gz KOONSZMLDPQDFW-FQEVSTJZSA-N 2 2 371.569 3.589 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCN1C(=O)OC(C)(C)C ZINC000312267196 943018313 /nfs/dbraw/zinc/01/83/13/943018313.db2.gz GEDBUYXNJOWLNJ-WMZOPIPTSA-N 2 2 370.497 3.750 20 0 FHADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000503198803 943048430 /nfs/dbraw/zinc/04/84/30/943048430.db2.gz NODNKFHZWSLPIL-RDJZCZTQSA-N 2 2 359.543 3.590 20 0 FHADLP CCN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc2ccccc21 ZINC000434980657 943073840 /nfs/dbraw/zinc/07/38/40/943073840.db2.gz GHUVLNFMEPGJOM-UHFFFAOYSA-N 2 2 362.477 3.795 20 0 FHADLP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1 ZINC000435004270 943095295 /nfs/dbraw/zinc/09/52/95/943095295.db2.gz RAVQZYAIZNKRAC-APWZRJJASA-N 2 2 354.498 3.635 20 0 FHADLP C[N@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414652223 943103552 /nfs/dbraw/zinc/10/35/52/943103552.db2.gz GPYFEAJBBAAPLC-UFRUDQCGSA-N 2 2 352.526 3.885 20 0 FHADLP C[N@@H+](Cc1cn(-c2ccccc2)nc1C(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414652223 943103557 /nfs/dbraw/zinc/10/35/57/943103557.db2.gz GPYFEAJBBAAPLC-UFRUDQCGSA-N 2 2 352.526 3.885 20 0 FHADLP CCCOc1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1OCC ZINC000435052078 943124857 /nfs/dbraw/zinc/12/48/57/943124857.db2.gz GBHUSZXMKDVBKR-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP CCCOc1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1OCC ZINC000435052078 943124864 /nfs/dbraw/zinc/12/48/64/943124864.db2.gz GBHUSZXMKDVBKR-LJQANCHMSA-N 2 2 356.466 3.922 20 0 FHADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000503366101 943140955 /nfs/dbraw/zinc/14/09/55/943140955.db2.gz IOOZDTVSXJNDOW-KRWDZBQOSA-N 2 2 371.456 3.525 20 0 FHADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000503366101 943140961 /nfs/dbraw/zinc/14/09/61/943140961.db2.gz IOOZDTVSXJNDOW-KRWDZBQOSA-N 2 2 371.456 3.525 20 0 FHADLP CCOc1ccc(OCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403328 943163512 /nfs/dbraw/zinc/16/35/12/943163512.db2.gz CUWCKRQJYLDAKO-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP CCOc1ccc(OCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503403328 943163515 /nfs/dbraw/zinc/16/35/15/943163515.db2.gz CUWCKRQJYLDAKO-SFHVURJKSA-N 2 2 369.509 3.877 20 0 FHADLP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000503414341 943171457 /nfs/dbraw/zinc/17/14/57/943171457.db2.gz XDPWPNCTFKBKKT-SFHVURJKSA-N 2 2 372.557 3.578 20 0 FHADLP CC(C)N(C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCC1 ZINC000503414341 943171461 /nfs/dbraw/zinc/17/14/61/943171461.db2.gz XDPWPNCTFKBKKT-SFHVURJKSA-N 2 2 372.557 3.578 20 0 FHADLP CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000435129704 943183638 /nfs/dbraw/zinc/18/36/38/943183638.db2.gz LUEPUMBIVYVEKB-UHFFFAOYSA-N 2 2 365.481 3.803 20 0 FHADLP CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000435129704 943183644 /nfs/dbraw/zinc/18/36/44/943183644.db2.gz LUEPUMBIVYVEKB-UHFFFAOYSA-N 2 2 365.481 3.803 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132150 943210149 /nfs/dbraw/zinc/21/01/49/943210149.db2.gz ZLPZLTJRRFSRDZ-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132150 943210153 /nfs/dbraw/zinc/21/01/53/943210153.db2.gz ZLPZLTJRRFSRDZ-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132150 943210157 /nfs/dbraw/zinc/21/01/57/943210157.db2.gz ZLPZLTJRRFSRDZ-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCc1ccccc1 ZINC000430132150 943210161 /nfs/dbraw/zinc/21/01/61/943210161.db2.gz ZLPZLTJRRFSRDZ-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422701072 943237705 /nfs/dbraw/zinc/23/77/05/943237705.db2.gz BEOLFMROKMCDPZ-LZJOCLMNSA-N 2 2 372.484 3.822 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422704129 943239345 /nfs/dbraw/zinc/23/93/45/943239345.db2.gz OPBZAAGZOCIHKW-UNMCSNQZSA-N 2 2 364.493 3.587 20 0 FHADLP c1ccc(C(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422727661 943262627 /nfs/dbraw/zinc/26/26/27/943262627.db2.gz HTYWXBYELWGBRS-XZOQPEGZSA-N 2 2 350.506 3.565 20 0 FHADLP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000422784426 943282266 /nfs/dbraw/zinc/28/22/66/943282266.db2.gz POOJTLUKBVXCKB-UWVAXJGDSA-N 2 2 354.494 3.780 20 0 FHADLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422786272 943282500 /nfs/dbraw/zinc/28/25/00/943282500.db2.gz KRRUPYNRSJLVFE-HXOBKFHXSA-N 2 2 362.521 3.596 20 0 FHADLP Cc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)ccc1C[NH+](C)C ZINC000425309560 943286857 /nfs/dbraw/zinc/28/68/57/943286857.db2.gz GWCOANVYQDRSDL-HXUWFJFHSA-N 2 2 362.477 3.940 20 0 FHADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000422796800 943287247 /nfs/dbraw/zinc/28/72/47/943287247.db2.gz ZBKNBXRPSLUPRT-MNVSYLFESA-N 2 2 360.885 3.916 20 0 FHADLP c1ccc(C[NH+](CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2)cc1 ZINC000422834634 943299681 /nfs/dbraw/zinc/29/96/81/943299681.db2.gz ZYXGEKLPFGRPKQ-VSGJHWFKSA-N 3 2 363.549 3.952 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422880938 943315805 /nfs/dbraw/zinc/31/58/05/943315805.db2.gz XXDWMHAQCSKOHP-BPCBYJRWSA-N 2 2 368.521 3.633 20 0 FHADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)c(C(F)(F)F)c2)n1 ZINC000422896786 943323531 /nfs/dbraw/zinc/32/35/31/943323531.db2.gz AZEYLKWIUZISDH-KBXCAEBGSA-N 2 2 366.431 3.738 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1F ZINC000422903357 943325076 /nfs/dbraw/zinc/32/50/76/943325076.db2.gz OILUJPXUFSFJGH-YSIASYRMSA-N 3 2 356.489 3.720 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906507 943327180 /nfs/dbraw/zinc/32/71/80/943327180.db2.gz KAVZTMZRNZRBCD-JQFCIGGWSA-N 2 2 357.523 3.926 20 0 FHADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CN1c1ccccc1Cl ZINC000422955601 943349207 /nfs/dbraw/zinc/34/92/07/943349207.db2.gz JRQNXTZUTQRLPO-AOIWGVFYSA-N 2 2 369.896 3.528 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C)[nH+]1 ZINC000417133578 943365314 /nfs/dbraw/zinc/36/53/14/943365314.db2.gz BZJASVQBONNAHJ-QGZVFWFLSA-N 2 2 352.482 3.745 20 0 FHADLP Cc1cc(C)c(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(C)[nH+]1 ZINC000417133578 943365321 /nfs/dbraw/zinc/36/53/21/943365321.db2.gz BZJASVQBONNAHJ-QGZVFWFLSA-N 2 2 352.482 3.745 20 0 FHADLP Brc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435388967 943376909 /nfs/dbraw/zinc/37/69/09/943376909.db2.gz IMHUOPQGXFOPHG-LJQANCHMSA-N 2 2 374.326 3.988 20 0 FHADLP Brc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435388967 943376916 /nfs/dbraw/zinc/37/69/16/943376916.db2.gz IMHUOPQGXFOPHG-LJQANCHMSA-N 2 2 374.326 3.988 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000423069246 943380902 /nfs/dbraw/zinc/38/09/02/943380902.db2.gz AUJMPGMNLFFIMA-LQWHRVPQSA-N 2 2 354.494 3.683 20 0 FHADLP Fc1cc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1F ZINC000423088359 943389449 /nfs/dbraw/zinc/38/94/49/943389449.db2.gz RRNDJMIMPNIGKK-KXBFYZLASA-N 2 2 366.358 3.589 20 0 FHADLP CCSc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435433836 943396231 /nfs/dbraw/zinc/39/62/31/943396231.db2.gz UTJXTSRUFQKUOP-IBGZPJMESA-N 2 2 370.566 3.676 20 0 FHADLP CCSc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435433836 943396239 /nfs/dbraw/zinc/39/62/39/943396239.db2.gz UTJXTSRUFQKUOP-IBGZPJMESA-N 2 2 370.566 3.676 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)N(C)C)cc1 ZINC000423122934 943397878 /nfs/dbraw/zinc/39/78/78/943397878.db2.gz KHESCGUJYXNGEA-FKBYEOEOSA-N 2 2 353.510 3.811 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cc2cc(F)ccc2o1)C[C@H]1CC[NH2+]C1 ZINC000435422725 943402919 /nfs/dbraw/zinc/40/29/19/943402919.db2.gz PPCDJRXEXGLRKY-AWEZNQCLSA-N 2 2 359.470 3.949 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cc2cc(F)ccc2o1)C[C@H]1CC[NH2+]C1 ZINC000435422725 943402922 /nfs/dbraw/zinc/40/29/22/943402922.db2.gz PPCDJRXEXGLRKY-AWEZNQCLSA-N 2 2 359.470 3.949 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000423107859 943403570 /nfs/dbraw/zinc/40/35/70/943403570.db2.gz FMYNYNUFNMUQPU-PGRDOPGGSA-N 3 2 366.553 3.800 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000423107859 943403576 /nfs/dbraw/zinc/40/35/76/943403576.db2.gz FMYNYNUFNMUQPU-PGRDOPGGSA-N 3 2 366.553 3.800 20 0 FHADLP COc1ccc([C@@H]([NH2+]CC(C)(C)c2ncccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423139482 943416337 /nfs/dbraw/zinc/41/63/37/943416337.db2.gz KVTRIOCRMSHTNZ-VQTJNVASSA-N 2 2 353.510 3.759 20 0 FHADLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1Br ZINC000423191546 943436346 /nfs/dbraw/zinc/43/63/46/943436346.db2.gz SVJZWZORYROKLQ-ZDUSSCGKSA-N 2 2 366.278 3.814 20 0 FHADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(OC(F)(F)F)c1 ZINC000423224524 943449777 /nfs/dbraw/zinc/44/97/77/943449777.db2.gz CGUWVBLFZFBVDQ-ZDUSSCGKSA-N 2 2 366.387 3.563 20 0 FHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000423289235 943465421 /nfs/dbraw/zinc/46/54/21/943465421.db2.gz APIZWEKQXWKBSW-IFXJQAMLSA-N 2 2 354.885 3.972 20 0 FHADLP CCc1nc2c(s1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)CCC2 ZINC000423334480 943482662 /nfs/dbraw/zinc/48/26/62/943482662.db2.gz OZRVHYQFEACBCE-LMMKCTJWSA-N 2 2 371.550 3.827 20 0 FHADLP COCCc1cc[nH+]c(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584721004 943484099 /nfs/dbraw/zinc/48/40/99/943484099.db2.gz YXOVOTBWLFLRHN-HXUWFJFHSA-N 2 2 351.494 3.880 20 0 FHADLP COCCc1cc[nH+]c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000584721004 943484103 /nfs/dbraw/zinc/48/41/03/943484103.db2.gz YXOVOTBWLFLRHN-HXUWFJFHSA-N 2 2 351.494 3.880 20 0 FHADLP [NH3+][C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1c(F)cccc1F ZINC000423341711 943484872 /nfs/dbraw/zinc/48/48/72/943484872.db2.gz WUMRDJVILRPQOP-LJQANCHMSA-N 2 2 359.420 3.589 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355837 943489100 /nfs/dbraw/zinc/48/91/00/943489100.db2.gz PRWMYQKIHYBTKH-URZJWIJPSA-N 2 2 350.510 3.541 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000423355837 943489102 /nfs/dbraw/zinc/48/91/02/943489102.db2.gz PRWMYQKIHYBTKH-URZJWIJPSA-N 2 2 350.510 3.541 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000423427889 943507554 /nfs/dbraw/zinc/50/75/54/943507554.db2.gz OBXJRWANVHIIGR-VGOFRKELSA-N 2 2 354.494 3.781 20 0 FHADLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CCC[NH2+]1 ZINC000423427887 943507576 /nfs/dbraw/zinc/50/75/76/943507576.db2.gz OBXJRWANVHIIGR-HTAPYJJXSA-N 2 2 354.494 3.781 20 0 FHADLP C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423438379 943519922 /nfs/dbraw/zinc/51/99/22/943519922.db2.gz UZELFZZPPHSVNU-OXQOHEQNSA-N 2 2 362.477 3.776 20 0 FHADLP C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423438377 943519934 /nfs/dbraw/zinc/51/99/34/943519934.db2.gz UZELFZZPPHSVNU-JXFKEZNVSA-N 2 2 362.477 3.776 20 0 FHADLP Cc1ncc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000504163808 943526742 /nfs/dbraw/zinc/52/67/42/943526742.db2.gz SKVFMVVSRVGPKU-UHFFFAOYSA-N 2 2 369.472 3.987 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423509646 943532397 /nfs/dbraw/zinc/53/23/97/943532397.db2.gz RRYUQEKAIDVLFB-HXUWFJFHSA-N 2 2 359.464 3.786 20 0 FHADLP Fc1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2Cl)cc1 ZINC000423492946 943535795 /nfs/dbraw/zinc/53/57/95/943535795.db2.gz PCKMXHOWFKOFSQ-PXNSSMCTSA-N 2 2 362.876 3.731 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528683 943537507 /nfs/dbraw/zinc/53/75/07/943537507.db2.gz NPQUILUWZHTGTR-RBDMOPTHSA-N 2 2 365.521 3.872 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c2ccccc21 ZINC000423525094 943547470 /nfs/dbraw/zinc/54/74/70/943547470.db2.gz KDYCNWLMFRAFMJ-CIAFKFPVSA-N 2 2 364.489 3.513 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423565678 943558028 /nfs/dbraw/zinc/55/80/28/943558028.db2.gz SVKQTUDCPWVSOQ-JQHSSLGASA-N 2 2 350.478 3.566 20 0 FHADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1OC ZINC000500453983 943632898 /nfs/dbraw/zinc/63/28/98/943632898.db2.gz XMEAKWUYMUWRLS-GJZGRUSLSA-N 2 2 354.922 3.815 20 0 FHADLP [NH3+][C@H](CCC(=O)NCc1cccc(-n2cc[nH+]c2)c1)CC1CCCCC1 ZINC000424142184 943749659 /nfs/dbraw/zinc/74/96/59/943749659.db2.gz IBSSBWGIXWZACN-LJQANCHMSA-N 2 2 354.498 3.566 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000424322213 943844099 /nfs/dbraw/zinc/84/40/99/943844099.db2.gz VAVJWBREICEGOG-CABCVRRESA-N 2 2 352.906 3.500 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)c1 ZINC000424303406 943851526 /nfs/dbraw/zinc/85/15/26/943851526.db2.gz NUZKQOFULGTNAK-VHKYSDTDSA-N 2 2 366.933 3.767 20 0 FHADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC([NH+]4CCC(C(F)(F)F)CC4)C3)C[C@H]2C1 ZINC000424347757 943876375 /nfs/dbraw/zinc/87/63/75/943876375.db2.gz LECOUGGCRVKXJY-CKWCZZCQSA-N 2 2 360.464 3.585 20 0 FHADLP Cc1ccc(-c2ncc(C[NH2+]CCC[NH2+]Cc3cccnc3)s2)cc1 ZINC000414876160 943913510 /nfs/dbraw/zinc/91/35/10/943913510.db2.gz KEUSWTMOUNAAFK-UHFFFAOYSA-N 2 2 352.507 3.783 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660304489 943935876 /nfs/dbraw/zinc/93/58/76/943935876.db2.gz FGUIHQMGYBMSGS-DOTOQJQBSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660304489 943935881 /nfs/dbraw/zinc/93/58/81/943935881.db2.gz FGUIHQMGYBMSGS-DOTOQJQBSA-N 2 2 354.922 3.575 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647936826 943957545 /nfs/dbraw/zinc/95/75/45/943957545.db2.gz LWVBHTBVORDWSN-NSISKUIASA-N 2 2 362.477 3.885 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647936826 943957555 /nfs/dbraw/zinc/95/75/55/943957555.db2.gz LWVBHTBVORDWSN-NSISKUIASA-N 2 2 362.477 3.885 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C)c3ncccc3c2)cc1 ZINC000414878862 944033549 /nfs/dbraw/zinc/03/35/49/944033549.db2.gz HUFCQGQLGUOCQN-YADHBBJMSA-N 2 2 361.489 3.787 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068575 944052213 /nfs/dbraw/zinc/05/22/13/944052213.db2.gz MLOWUSZYKSHFIG-IBGZPJMESA-N 2 2 358.526 3.950 20 0 FHADLP CC(C)(C)OC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000500068575 944052222 /nfs/dbraw/zinc/05/22/22/944052222.db2.gz MLOWUSZYKSHFIG-IBGZPJMESA-N 2 2 358.526 3.950 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000424775704 944112593 /nfs/dbraw/zinc/11/25/93/944112593.db2.gz RVGQIDBJGSJAPL-BVOGOJNSSA-N 2 2 363.590 3.608 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000424775704 944112596 /nfs/dbraw/zinc/11/25/96/944112596.db2.gz RVGQIDBJGSJAPL-BVOGOJNSSA-N 2 2 363.590 3.608 20 0 FHADLP Fc1cc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)ccc1-n1cc[nH+]c1 ZINC000436285224 944163860 /nfs/dbraw/zinc/16/38/60/944163860.db2.gz PETFROLXRIGLGC-UHFFFAOYSA-N 2 2 353.426 3.753 20 0 FHADLP Cc1cc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000518350242 944291018 /nfs/dbraw/zinc/29/10/18/944291018.db2.gz LBVQGFUSAROALO-UHFFFAOYSA-N 2 2 350.510 3.928 20 0 FHADLP CCOc1ccc(C[C@H](C)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000651489715 944357861 /nfs/dbraw/zinc/35/78/61/944357861.db2.gz GJGBXARMGSPUFE-SFHVURJKSA-N 2 2 353.510 3.918 20 0 FHADLP COc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1F ZINC000192689459 944381349 /nfs/dbraw/zinc/38/13/49/944381349.db2.gz JMTUAOBMJAELNZ-UHFFFAOYSA-N 2 2 357.473 3.659 20 0 FHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167978617 944443683 /nfs/dbraw/zinc/44/36/83/944443683.db2.gz PWJSTHVGSPOINF-WCRBZPEASA-N 3 2 371.544 3.567 20 0 FHADLP [NH3+]C1(Cc2ccccc2F)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167978617 944443685 /nfs/dbraw/zinc/44/36/85/944443685.db2.gz PWJSTHVGSPOINF-WCRBZPEASA-N 3 2 371.544 3.567 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)[nH+]c2)CC1 ZINC000467347753 944463700 /nfs/dbraw/zinc/46/37/00/944463700.db2.gz CCOMISXZWGIGJV-IPMKNSEASA-N 2 2 372.557 3.619 20 0 FHADLP CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000608071181 944622766 /nfs/dbraw/zinc/62/27/66/944622766.db2.gz SAGSFDRVRILFFA-UHFFFAOYSA-N 2 2 373.928 3.780 20 0 FHADLP CCCC[C@@H](CC)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270133780 944719870 /nfs/dbraw/zinc/71/98/70/944719870.db2.gz YUQHPPJZSRSBQS-NRSPTQNISA-N 2 2 360.546 3.651 20 0 FHADLP C[C@H](C[NH3+])[NH2+]Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000414934547 944744911 /nfs/dbraw/zinc/74/49/11/944744911.db2.gz UYTBLGFYTOKFJK-OAHLLOKOSA-N 2 2 354.885 3.689 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426456037 944875154 /nfs/dbraw/zinc/87/51/54/944875154.db2.gz COSQKATXQPMRAZ-SFHVURJKSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000426456037 944875159 /nfs/dbraw/zinc/87/51/59/944875159.db2.gz COSQKATXQPMRAZ-SFHVURJKSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426456037 944875165 /nfs/dbraw/zinc/87/51/65/944875165.db2.gz COSQKATXQPMRAZ-SFHVURJKSA-N 2 2 370.493 3.583 20 0 FHADLP CCc1oc(C(=O)OC)cc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426456037 944875174 /nfs/dbraw/zinc/87/51/74/944875174.db2.gz COSQKATXQPMRAZ-SFHVURJKSA-N 2 2 370.493 3.583 20 0 FHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454015 944887477 /nfs/dbraw/zinc/88/74/77/944887477.db2.gz PIBFRWYYLGQTJE-IRLDBZIGSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000429454015 944887479 /nfs/dbraw/zinc/88/74/79/944887479.db2.gz PIBFRWYYLGQTJE-IRLDBZIGSA-N 2 2 354.469 3.694 20 0 FHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c(C)[nH+]1 ZINC000425684209 944935069 /nfs/dbraw/zinc/93/50/69/944935069.db2.gz MLGWJBOCEKKHDK-VQTJNVASSA-N 2 2 364.493 3.745 20 0 FHADLP Cc1cc(C)c(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c(C)[nH+]1 ZINC000425684209 944935081 /nfs/dbraw/zinc/93/50/81/944935081.db2.gz MLGWJBOCEKKHDK-VQTJNVASSA-N 2 2 364.493 3.745 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)Cc1ccccc1 ZINC000518917626 944937338 /nfs/dbraw/zinc/93/73/38/944937338.db2.gz ZMIMXYDVZMGJCT-FKBYEOEOSA-N 2 2 368.569 3.989 20 0 FHADLP C[C@H]1CCCC[C@H]1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004065 945005300 /nfs/dbraw/zinc/00/53/00/945005300.db2.gz DDNILTBENQOTOB-SIKLNZKXSA-N 2 2 359.558 3.616 20 0 FHADLP C[C@H]1CCCC[C@H]1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427004065 945005308 /nfs/dbraw/zinc/00/53/08/945005308.db2.gz DDNILTBENQOTOB-SIKLNZKXSA-N 2 2 359.558 3.616 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415004981 945006337 /nfs/dbraw/zinc/00/63/37/945006337.db2.gz OMSQXMPEMNNFBZ-LGKPFJOYSA-N 3 2 367.512 3.602 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000437110140 945031735 /nfs/dbraw/zinc/03/17/35/945031735.db2.gz UQENYDJGOAFZKC-DENIHFKCSA-N 2 2 366.553 3.926 20 0 FHADLP CC(C)N(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000437110140 945031739 /nfs/dbraw/zinc/03/17/39/945031739.db2.gz UQENYDJGOAFZKC-DENIHFKCSA-N 2 2 366.553 3.926 20 0 FHADLP C[C@@H]1CCCC[C@H]1[NH+]1CCC(Nc2ccc(Cn3cc[nH+]c3)cn2)CC1 ZINC000519033208 945047896 /nfs/dbraw/zinc/04/78/96/945047896.db2.gz IKDWUOCUGPBFBH-YLJYHZDGSA-N 2 2 353.514 3.781 20 0 FHADLP Cc1noc(C2CCC([NH2+]C3CC[NH+]([C@H](C)c4ccncc4)CC3)CC2)n1 ZINC000280949788 945477855 /nfs/dbraw/zinc/47/78/55/945477855.db2.gz IOEILTWPKJXIAQ-VNCLNFNDSA-N 2 2 369.513 3.614 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790517 945742791 /nfs/dbraw/zinc/74/27/91/945742791.db2.gz ONMCSRPGKRBAQN-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790517 945742799 /nfs/dbraw/zinc/74/27/99/945742799.db2.gz ONMCSRPGKRBAQN-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790517 945742804 /nfs/dbraw/zinc/74/28/04/945742804.db2.gz ONMCSRPGKRBAQN-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(Cl)c1OC ZINC000519790517 945742807 /nfs/dbraw/zinc/74/28/07/945742807.db2.gz ONMCSRPGKRBAQN-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP COc1cc(OC)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1F ZINC000651724972 945787662 /nfs/dbraw/zinc/78/76/62/945787662.db2.gz OSQBUEGZVHTFSV-GOSISDBHSA-N 2 2 369.440 3.650 20 0 FHADLP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550097446 945834242 /nfs/dbraw/zinc/83/42/42/945834242.db2.gz PWCAXUZMVSPSOC-NQIIRXRSSA-N 2 2 369.509 3.923 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000301566344 945851949 /nfs/dbraw/zinc/85/19/49/945851949.db2.gz WHUMMHVMIFKGBR-AZUAARDMSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000301566344 945851955 /nfs/dbraw/zinc/85/19/55/945851955.db2.gz WHUMMHVMIFKGBR-AZUAARDMSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000301566344 945851971 /nfs/dbraw/zinc/85/19/71/945851971.db2.gz WHUMMHVMIFKGBR-AZUAARDMSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@H]1C[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000301566344 945851988 /nfs/dbraw/zinc/85/19/88/945851988.db2.gz WHUMMHVMIFKGBR-AZUAARDMSA-N 2 2 365.525 3.932 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2cc(C(F)(F)F)ccc12)[C@H](C)[NH+]1CCOCC1 ZINC000301802763 945973768 /nfs/dbraw/zinc/97/37/68/945973768.db2.gz UCNJWDOGNBCLNP-OLZOCXBDSA-N 2 2 353.388 3.775 20 0 FHADLP c1csc(C[N@H+]2CCC[C@H](CNc3cc(NCC4CC4)[nH+]cn3)C2)c1 ZINC000301810981 945978998 /nfs/dbraw/zinc/97/89/98/945978998.db2.gz DOYWCZDLEBJCPV-MRXNPFEDSA-N 2 2 357.527 3.684 20 0 FHADLP c1csc(C[N@@H+]2CCC[C@H](CNc3cc(NCC4CC4)[nH+]cn3)C2)c1 ZINC000301810981 945979010 /nfs/dbraw/zinc/97/90/10/945979010.db2.gz DOYWCZDLEBJCPV-MRXNPFEDSA-N 2 2 357.527 3.684 20 0 FHADLP Fc1ccc(C[NH+]2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000301836735 945995915 /nfs/dbraw/zinc/99/59/15/945995915.db2.gz VKZCLWYBFVMWOO-UHFFFAOYSA-N 2 2 355.461 3.514 20 0 FHADLP CC(C)c1cc(N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000301877769 946017097 /nfs/dbraw/zinc/01/70/97/946017097.db2.gz TWSNGCBFYMBPHO-RTBURBONSA-N 2 2 373.589 3.718 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000520234901 946295087 /nfs/dbraw/zinc/29/50/87/946295087.db2.gz ITQWFMMZYRGVRS-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000520234901 946295101 /nfs/dbraw/zinc/29/51/01/946295101.db2.gz ITQWFMMZYRGVRS-GXTWGEPZSA-N 2 2 364.287 3.521 20 0 FHADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302793121 946327824 /nfs/dbraw/zinc/32/78/24/946327824.db2.gz NBAPWDZDOVDQHN-UHFFFAOYSA-N 2 2 351.498 3.675 20 0 FHADLP c1ccc(C[NH+]2CCCCC2)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302793121 946327840 /nfs/dbraw/zinc/32/78/40/946327840.db2.gz NBAPWDZDOVDQHN-UHFFFAOYSA-N 2 2 351.498 3.675 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262570 946333040 /nfs/dbraw/zinc/33/30/40/946333040.db2.gz LXANLKPTIAQKKH-DYESRHJHSA-N 2 2 364.493 3.505 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262570 946333048 /nfs/dbraw/zinc/33/30/48/946333048.db2.gz LXANLKPTIAQKKH-DYESRHJHSA-N 2 2 364.493 3.505 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc2ccccc12 ZINC000441248235 946343484 /nfs/dbraw/zinc/34/34/84/946343484.db2.gz MMXRBPJGNPONCC-RYGJVYDSSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc2ccccc12 ZINC000441248235 946343494 /nfs/dbraw/zinc/34/34/94/946343494.db2.gz MMXRBPJGNPONCC-RYGJVYDSSA-N 2 2 373.928 3.880 20 0 FHADLP Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000549556583 946363392 /nfs/dbraw/zinc/36/33/92/946363392.db2.gz ZSNAUUZWOOVLHF-CYBMUJFWSA-N 2 2 353.388 3.830 20 0 FHADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141988268 946435805 /nfs/dbraw/zinc/43/58/05/946435805.db2.gz OELWUUYCLZFMBB-HXUWFJFHSA-N 2 2 369.509 3.725 20 0 FHADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(C)onc2-c2ccccc2)CC1 ZINC001141988268 946435811 /nfs/dbraw/zinc/43/58/11/946435811.db2.gz OELWUUYCLZFMBB-HXUWFJFHSA-N 2 2 369.509 3.725 20 0 FHADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)cc1F ZINC000500435694 946446119 /nfs/dbraw/zinc/44/61/19/946446119.db2.gz NXPBCURDCHBEHJ-UHFFFAOYSA-N 2 2 369.415 3.844 20 0 FHADLP CC(C)(C)C(=O)N1CCC([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000441353485 946469028 /nfs/dbraw/zinc/46/90/28/946469028.db2.gz GRCQXHXYVBAIJW-UHFFFAOYSA-N 2 2 363.590 3.659 20 0 FHADLP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441382216 946505275 /nfs/dbraw/zinc/50/52/75/946505275.db2.gz RAOGJZYKCRDESW-MJGOQNOKSA-N 2 2 356.514 3.524 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)c(C)c1 ZINC000441377208 946531708 /nfs/dbraw/zinc/53/17/08/946531708.db2.gz AHTSMYOVWLCRNQ-CTNGQTDRSA-N 2 2 370.541 3.865 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000441380465 946537782 /nfs/dbraw/zinc/53/77/82/946537782.db2.gz GCAYOJSEVZALGX-GHTZIAJQSA-N 2 2 368.525 3.668 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000034991695 946571292 /nfs/dbraw/zinc/57/12/92/946571292.db2.gz RPRLBSVITBORRZ-UHFFFAOYSA-N 2 2 357.336 3.915 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561369 946662199 /nfs/dbraw/zinc/66/21/99/946662199.db2.gz YFBQAYNGVXRIDZ-BKKLHLQPSA-N 3 2 367.581 3.894 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC([NH+]5CCCCC5)C4)[C@@H]3C2)cc1 ZINC000475561369 946662207 /nfs/dbraw/zinc/66/22/07/946662207.db2.gz YFBQAYNGVXRIDZ-BKKLHLQPSA-N 3 2 367.581 3.894 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353979 946901229 /nfs/dbraw/zinc/90/12/29/946901229.db2.gz IRJZEUUQBMRONF-WFASDCNBSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)[C@H]1CC[NH3+] ZINC000652353979 946901236 /nfs/dbraw/zinc/90/12/36/946901236.db2.gz IRJZEUUQBMRONF-WFASDCNBSA-N 2 2 368.403 3.705 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123885217 946915609 /nfs/dbraw/zinc/91/56/09/946915609.db2.gz SGHHZMAEBMYJML-YLJYHZDGSA-N 2 2 366.509 3.704 20 0 FHADLP COc1cc(C)c(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(C)n1 ZINC000475358130 946941353 /nfs/dbraw/zinc/94/13/53/946941353.db2.gz JEVZXQIYOKGBFU-UHFFFAOYSA-N 2 2 371.447 3.602 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000301085084 947169475 /nfs/dbraw/zinc/16/94/75/947169475.db2.gz LKDSSLHOAHQSEV-IYBDPMFKSA-N 2 2 350.466 3.784 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C[C@H](C)O1 ZINC000301085084 947169485 /nfs/dbraw/zinc/16/94/85/947169485.db2.gz LKDSSLHOAHQSEV-IYBDPMFKSA-N 2 2 350.466 3.784 20 0 FHADLP Fc1ccc2c(NC[C@H](c3cccs3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301242582 947247430 /nfs/dbraw/zinc/24/74/30/947247430.db2.gz GPGBMBSPGIFKRL-GOSISDBHSA-N 2 2 357.454 3.921 20 0 FHADLP Fc1ccc2c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)cc[nH+]c2c1 ZINC000301249332 947250438 /nfs/dbraw/zinc/25/04/38/947250438.db2.gz IQURJFMLFMCNQW-NRFANRHFSA-N 2 2 351.425 3.859 20 0 FHADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301257138 947254966 /nfs/dbraw/zinc/25/49/66/947254966.db2.gz FXONWEQDZMTKCX-UHFFFAOYSA-N 2 2 356.857 3.815 20 0 FHADLP CC[NH+](CC)[C@H](C(=O)NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000523719988 947533636 /nfs/dbraw/zinc/53/36/36/947533636.db2.gz PRWWVUGRTUAOGF-NRFANRHFSA-N 2 2 362.477 3.572 20 0 FHADLP COc1ccc(-c2cc(C[N@H+](CCC[NH3+])Cc3ccccc3)on2)cc1 ZINC000662273352 947698243 /nfs/dbraw/zinc/69/82/43/947698243.db2.gz URBMMGZHWHXCJT-UHFFFAOYSA-N 2 2 351.450 3.701 20 0 FHADLP COc1ccc(-c2cc(C[N@@H+](CCC[NH3+])Cc3ccccc3)on2)cc1 ZINC000662273352 947698250 /nfs/dbraw/zinc/69/82/50/947698250.db2.gz URBMMGZHWHXCJT-UHFFFAOYSA-N 2 2 351.450 3.701 20 0 FHADLP CC[C@H](c1ccc(Br)cc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319523 947749077 /nfs/dbraw/zinc/74/90/77/947749077.db2.gz JNILZGDQEJVKLT-ZWKOTPCHSA-N 2 2 369.347 3.943 20 0 FHADLP CC[C@H](c1ccc(Br)cc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319523 947749081 /nfs/dbraw/zinc/74/90/81/947749081.db2.gz JNILZGDQEJVKLT-ZWKOTPCHSA-N 2 2 369.347 3.943 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000662323033 947749642 /nfs/dbraw/zinc/74/96/42/947749642.db2.gz ORPWQBPSJBCXHW-QGZVFWFLSA-N 2 2 363.889 3.538 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CCO1 ZINC000662323033 947749652 /nfs/dbraw/zinc/74/96/52/947749652.db2.gz ORPWQBPSJBCXHW-QGZVFWFLSA-N 2 2 363.889 3.538 20 0 FHADLP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc(C(F)(F)F)c1 ZINC001143524087 947822838 /nfs/dbraw/zinc/82/28/38/947822838.db2.gz AWXIRWTUGWGZOS-UHFFFAOYSA-N 2 2 365.399 3.740 20 0 FHADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459080838 948039044 /nfs/dbraw/zinc/03/90/44/948039044.db2.gz QJMBVRADAZZDKO-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP CCN(C(=O)NCc1c[nH+]c(C)cc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459080838 948039047 /nfs/dbraw/zinc/03/90/47/948039047.db2.gz QJMBVRADAZZDKO-OAQYLSRUSA-N 2 2 366.509 3.504 20 0 FHADLP CCC(CC)C(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000166078305 948089952 /nfs/dbraw/zinc/08/99/52/948089952.db2.gz WAEZQGDZCWZWSR-QGZVFWFLSA-N 2 2 368.525 3.950 20 0 FHADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccc(F)cc3F)CC2)cc1 ZINC000162991297 948133987 /nfs/dbraw/zinc/13/39/87/948133987.db2.gz YRFNUGKIABCPDW-UHFFFAOYSA-N 2 2 359.464 3.832 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344568 948172265 /nfs/dbraw/zinc/17/22/65/948172265.db2.gz DTVLMGOPLSHNBJ-LJQANCHMSA-N 2 2 368.521 3.953 20 0 FHADLP COc1cc(-c2ccccc2)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432344568 948172270 /nfs/dbraw/zinc/17/22/70/948172270.db2.gz DTVLMGOPLSHNBJ-LJQANCHMSA-N 2 2 368.521 3.953 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)o1 ZINC000432351408 948198292 /nfs/dbraw/zinc/19/82/92/948198292.db2.gz MJKRQOGYFHZACI-KRWDZBQOSA-N 2 2 360.473 3.985 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000432351408 948198294 /nfs/dbraw/zinc/19/82/94/948198294.db2.gz MJKRQOGYFHZACI-KRWDZBQOSA-N 2 2 360.473 3.985 20 0 FHADLP CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512023270 948211929 /nfs/dbraw/zinc/21/19/29/948211929.db2.gz JJAKBXVSVTWKGJ-PXAZEXFGSA-N 2 2 353.919 3.724 20 0 FHADLP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH+](C)C ZINC000512029768 948227151 /nfs/dbraw/zinc/22/71/51/948227151.db2.gz FAERVJDIMBTGLS-WDEREUQCSA-N 2 2 365.827 3.616 20 0 FHADLP CC(C)[C@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000520541289 948249005 /nfs/dbraw/zinc/24/90/05/948249005.db2.gz BOKNNLVBIJNNDJ-WIYYLYMNSA-N 2 2 373.541 3.529 20 0 FHADLP C[C@H]1C[C@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[N@@H+]1Cc1ccccc1 ZINC000512045625 948297240 /nfs/dbraw/zinc/29/72/40/948297240.db2.gz NUMPEZXBHRXQRQ-HKUYNNGSSA-N 3 2 372.582 3.595 20 0 FHADLP c1cn(-c2ccccc2)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000278950696 948328340 /nfs/dbraw/zinc/32/83/40/948328340.db2.gz VREXQHFPUIGLJB-UHFFFAOYSA-N 2 2 361.493 3.785 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3c2cccc3Br)s1 ZINC000512069696 948352139 /nfs/dbraw/zinc/35/21/39/948352139.db2.gz ZKWLHQKPHPHNLU-HNNXBMFYSA-N 2 2 366.328 3.744 20 0 FHADLP COC(=O)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1F ZINC000278984166 948365068 /nfs/dbraw/zinc/36/50/68/948365068.db2.gz ZOTCHSFMWCOYBZ-UHFFFAOYSA-N 2 2 371.456 3.525 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427852 948393590 /nfs/dbraw/zinc/39/35/90/948393590.db2.gz GBDOCNXRUAJLDE-IRXDYDNUSA-N 2 2 359.539 3.962 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1nc(-c2ccccc2)cs1 ZINC000432427852 948393596 /nfs/dbraw/zinc/39/35/96/948393596.db2.gz GBDOCNXRUAJLDE-IRXDYDNUSA-N 2 2 359.539 3.962 20 0 FHADLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(Br)c1 ZINC000512137505 948530215 /nfs/dbraw/zinc/53/02/15/948530215.db2.gz UXYFIRMIAKRJIB-UHFFFAOYSA-N 2 2 372.266 3.933 20 0 FHADLP CCCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000512149930 948559471 /nfs/dbraw/zinc/55/94/71/948559471.db2.gz UBQZYGWHYSDEDL-CQSZACIVSA-N 2 2 363.527 3.853 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000512183679 948717626 /nfs/dbraw/zinc/71/76/26/948717626.db2.gz VZWLOZVOBHKOHW-IBGZPJMESA-N 2 2 358.526 3.792 20 0 FHADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)CC1 ZINC000512183679 948717632 /nfs/dbraw/zinc/71/76/32/948717632.db2.gz VZWLOZVOBHKOHW-IBGZPJMESA-N 2 2 358.526 3.792 20 0 FHADLP Cc1noc(C)c1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000050931520 948743934 /nfs/dbraw/zinc/74/39/34/948743934.db2.gz DMQNDENNZWXTOQ-UHFFFAOYSA-N 2 2 356.857 3.815 20 0 FHADLP CC[NH+](CC)Cc1ccc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)cc1 ZINC000502408962 514638705 /nfs/dbraw/zinc/63/87/05/514638705.db2.gz WZUFDAJPWOLKNJ-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP CC[NH+](CC)Cc1ccc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)cc1 ZINC000502408962 514638716 /nfs/dbraw/zinc/63/87/16/514638716.db2.gz WZUFDAJPWOLKNJ-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP CC[NH+](CC)Cc1cccc(CNc2nc(N(C)C)nc(C(C)C)[nH+]2)c1 ZINC000502405804 514639137 /nfs/dbraw/zinc/63/91/37/514639137.db2.gz AODHZYIBSZAMIA-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP CC[NH+](CC)Cc1cccc(CNc2nc(C(C)C)[nH+]c(N(C)C)n2)c1 ZINC000502405804 514639142 /nfs/dbraw/zinc/63/91/42/514639142.db2.gz AODHZYIBSZAMIA-UHFFFAOYSA-N 2 2 356.518 3.515 20 0 FHADLP C[NH+](C)CCOc1cccc(-c2ccc(NCC3CCOCC3)[nH+]c2)c1 ZINC000629701355 522401153 /nfs/dbraw/zinc/40/11/53/522401153.db2.gz VSNYEEYEEUWMCR-UHFFFAOYSA-N 2 2 355.482 3.528 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000359866156 528372398 /nfs/dbraw/zinc/37/23/98/528372398.db2.gz FRNZQBDKEHXCKP-WBVHZDCISA-N 2 2 360.527 3.979 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc([C@@H]2CCCO2)s1 ZINC000359866156 528372405 /nfs/dbraw/zinc/37/24/05/528372405.db2.gz FRNZQBDKEHXCKP-WBVHZDCISA-N 2 2 360.527 3.979 20 0 FHADLP COc1ccc(COCC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000603939964 568184778 /nfs/dbraw/zinc/18/47/78/568184778.db2.gz KFZQDDRMCQQIDL-UHFFFAOYSA-N 2 2 368.521 3.808 20 0 FHADLP COc1ccc(COCC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000603939964 568184779 /nfs/dbraw/zinc/18/47/79/568184779.db2.gz KFZQDDRMCQQIDL-UHFFFAOYSA-N 2 2 368.521 3.808 20 0 FHADLP Fc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+]3Cc3ccccc3)cn2)cc1 ZINC000604069219 568206049 /nfs/dbraw/zinc/20/60/49/568206049.db2.gz DVVSKKMLEOUOND-QFIPXVFZSA-N 2 2 364.468 3.766 20 0 FHADLP Fc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000604069219 568206050 /nfs/dbraw/zinc/20/60/50/568206050.db2.gz DVVSKKMLEOUOND-QFIPXVFZSA-N 2 2 364.468 3.766 20 0 FHADLP Oc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000643251091 568317770 /nfs/dbraw/zinc/31/77/70/568317770.db2.gz BDOGTQVSMKHGIO-QFIPXVFZSA-N 2 2 352.478 3.562 20 0 FHADLP Oc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000643251091 568317771 /nfs/dbraw/zinc/31/77/71/568317771.db2.gz BDOGTQVSMKHGIO-QFIPXVFZSA-N 2 2 352.478 3.562 20 0 FHADLP C[C@H](CC[N@@H+]1CCOC2(CCCCC2)C1)[NH+]1CCOC2(CCCCC2)C1 ZINC000431601764 568382002 /nfs/dbraw/zinc/38/20/02/568382002.db2.gz FRALKRWGIMXVGE-HXUWFJFHSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@H](CC[N@H+]1CCOC2(CCCCC2)C1)[NH+]1CCOC2(CCCCC2)C1 ZINC000431601764 568382003 /nfs/dbraw/zinc/38/20/03/568382003.db2.gz FRALKRWGIMXVGE-HXUWFJFHSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@H](CC[NH+]1CCOC2(CCCCC2)C1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000431601764 568382004 /nfs/dbraw/zinc/38/20/04/568382004.db2.gz FRALKRWGIMXVGE-HXUWFJFHSA-N 2 2 364.574 3.835 20 0 FHADLP C[C@H](CC[NH+]1CCOC2(CCCCC2)C1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000431601764 568382005 /nfs/dbraw/zinc/38/20/05/568382005.db2.gz FRALKRWGIMXVGE-HXUWFJFHSA-N 2 2 364.574 3.835 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165655 568594144 /nfs/dbraw/zinc/59/41/44/568594144.db2.gz ONNPWCBJQXWQRG-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1ccnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000605165655 568594147 /nfs/dbraw/zinc/59/41/47/568594147.db2.gz ONNPWCBJQXWQRG-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022604 721811020 /nfs/dbraw/zinc/81/10/20/721811020.db2.gz GAAZWJZAGBNLAH-SXLOBPIMSA-N 2 2 366.509 3.531 20 0 FHADLP COc1ccc(C)[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022604 721811021 /nfs/dbraw/zinc/81/10/21/721811021.db2.gz GAAZWJZAGBNLAH-SXLOBPIMSA-N 2 2 366.509 3.531 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028970 721819791 /nfs/dbraw/zinc/81/97/91/721819791.db2.gz YFMBYJJOUMZKHC-SXLOBPIMSA-N 2 2 366.509 3.531 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028970 721819793 /nfs/dbraw/zinc/81/97/93/721819793.db2.gz YFMBYJJOUMZKHC-SXLOBPIMSA-N 2 2 366.509 3.531 20 0 FHADLP CCCOc1c(Cl)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1OCC ZINC000078912922 936311538 /nfs/dbraw/zinc/31/15/38/936311538.db2.gz ZKRWLTONSGWXAZ-CQSZACIVSA-N 2 2 351.878 3.902 20 0 FHADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000579717204 927166032 /nfs/dbraw/zinc/16/60/32/927166032.db2.gz VBYHWYAMSQCUJB-UHFFFAOYSA-N 2 2 358.511 3.559 20 0 FHADLP COc1cc(F)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000579719669 927186631 /nfs/dbraw/zinc/18/66/31/927186631.db2.gz CFAYCUORWJPAJW-UHFFFAOYSA-N 2 2 373.472 3.755 20 0 FHADLP C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000579749325 927284984 /nfs/dbraw/zinc/28/49/84/927284984.db2.gz QMWIEUWBRAEQNL-OPAMFIHVSA-N 2 2 354.469 3.944 20 0 FHADLP C[N@H+](CCO)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000583184774 937217758 /nfs/dbraw/zinc/21/77/58/937217758.db2.gz VSQGRDBZBNFDIP-UHFFFAOYSA-N 2 2 358.457 3.507 20 0 FHADLP C[N@@H+](CCO)C1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)cc2)CC1 ZINC000583184774 937217762 /nfs/dbraw/zinc/21/77/62/937217762.db2.gz VSQGRDBZBNFDIP-UHFFFAOYSA-N 2 2 358.457 3.507 20 0 FHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229289 928391191 /nfs/dbraw/zinc/39/11/91/928391191.db2.gz ALJWVJKJWLAJGD-WIYYLYMNSA-N 2 2 353.510 3.640 20 0 FHADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229289 928391202 /nfs/dbraw/zinc/39/12/02/928391202.db2.gz ALJWVJKJWLAJGD-WIYYLYMNSA-N 2 2 353.510 3.640 20 0 FHADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000179766756 929017709 /nfs/dbraw/zinc/01/77/09/929017709.db2.gz KXUCKBQWUZKYFT-OAQYLSRUSA-N 2 2 351.494 3.900 20 0 FHADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2C1 ZINC000179766756 929017714 /nfs/dbraw/zinc/01/77/14/929017714.db2.gz KXUCKBQWUZKYFT-OAQYLSRUSA-N 2 2 351.494 3.900 20 0 FHADLP CC[N@H+](CCCC1CC[NH+](Cc2ncc(C)o2)CC1)Cc1ncc(C)o1 ZINC000154700410 929212714 /nfs/dbraw/zinc/21/27/14/929212714.db2.gz TUKOFAVEEZCRSD-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP CC[N@@H+](CCCC1CC[NH+](Cc2ncc(C)o2)CC1)Cc1ncc(C)o1 ZINC000154700410 929212726 /nfs/dbraw/zinc/21/27/26/929212726.db2.gz TUKOFAVEEZCRSD-UHFFFAOYSA-N 2 2 360.502 3.794 20 0 FHADLP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527289575 937318149 /nfs/dbraw/zinc/31/81/49/937318149.db2.gz AOCFCSZOVCPUHZ-CYBMUJFWSA-N 2 2 367.331 3.983 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(Br)c2Cl)C1 ZINC000583329734 937351646 /nfs/dbraw/zinc/35/16/46/937351646.db2.gz ADNGCVWJNMEZQW-GFCCVEGCSA-N 2 2 354.679 3.826 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(Br)c2Cl)C1 ZINC000583329734 937351650 /nfs/dbraw/zinc/35/16/50/937351650.db2.gz ADNGCVWJNMEZQW-GFCCVEGCSA-N 2 2 354.679 3.826 20 0 FHADLP [NH3+]Cc1cnc2c(ccn2-c2cc[nH+]c3ccc(Br)cc32)c1 ZINC001167313058 929700726 /nfs/dbraw/zinc/70/07/26/929700726.db2.gz FWGORUPFYQQDGI-UHFFFAOYSA-N 2 2 353.223 3.795 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124461732 929907885 /nfs/dbraw/zinc/90/78/85/929907885.db2.gz RICNDDAGEAYPGR-XLIONFOSSA-N 2 2 351.485 3.518 20 0 FHADLP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124461732 929907900 /nfs/dbraw/zinc/90/79/00/929907900.db2.gz RICNDDAGEAYPGR-XLIONFOSSA-N 2 2 351.485 3.518 20 0 FHADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000610409861 930426640 /nfs/dbraw/zinc/42/66/40/930426640.db2.gz MZWKOCSLQLLGML-HNNXBMFYSA-N 2 2 369.387 3.806 20 0 FHADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000610409861 930426642 /nfs/dbraw/zinc/42/66/42/930426642.db2.gz MZWKOCSLQLLGML-HNNXBMFYSA-N 2 2 369.387 3.806 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000656251751 930857235 /nfs/dbraw/zinc/85/72/35/930857235.db2.gz NVBAOQWFBZOVHA-UHFFFAOYSA-N 2 2 355.873 3.937 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)c1ccccc1 ZINC000684113373 931355979 /nfs/dbraw/zinc/35/59/79/931355979.db2.gz CCJNMNWCHSNZNI-ZCNNSNEGSA-N 2 2 363.509 3.753 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430548570 931782030 /nfs/dbraw/zinc/78/20/30/931782030.db2.gz MCBKBQMZOQGDHR-RCCFBDPRSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430548570 931782031 /nfs/dbraw/zinc/78/20/31/931782031.db2.gz MCBKBQMZOQGDHR-RCCFBDPRSA-N 2 2 367.493 3.865 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000581404595 931969565 /nfs/dbraw/zinc/96/95/65/931969565.db2.gz NMLRXXKVKODLMF-MRXNPFEDSA-N 2 2 360.461 3.667 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430588914 931973118 /nfs/dbraw/zinc/97/31/18/931973118.db2.gz BCRQBWFEUXNATP-SNVBAGLBSA-N 2 2 365.827 3.603 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430588914 931973121 /nfs/dbraw/zinc/97/31/21/931973121.db2.gz BCRQBWFEUXNATP-SNVBAGLBSA-N 2 2 365.827 3.603 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4occc43)CC2)cc1 ZINC000581411653 931996931 /nfs/dbraw/zinc/99/69/31/931996931.db2.gz IHZRHPRQBAPUEP-OAQYLSRUSA-N 2 2 367.493 3.870 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4occc43)CC2)cc1 ZINC000581411652 931997217 /nfs/dbraw/zinc/99/72/17/931997217.db2.gz IHZRHPRQBAPUEP-NRFANRHFSA-N 2 2 367.493 3.870 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598001 932029121 /nfs/dbraw/zinc/02/91/21/932029121.db2.gz NDUOBTQDLCPJIY-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598001 932029129 /nfs/dbraw/zinc/02/91/29/932029129.db2.gz NDUOBTQDLCPJIY-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP Clc1cccc(-c2noc(CC[NH+]3CCC([NH+]4CCCCC4)CC3)n2)c1 ZINC000605437293 932271837 /nfs/dbraw/zinc/27/18/37/932271837.db2.gz DECXVWDPJOUSKY-UHFFFAOYSA-N 2 2 374.916 3.883 20 0 FHADLP CC1(C)C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000090187108 932280989 /nfs/dbraw/zinc/28/09/89/932280989.db2.gz UNPZHIMWJYIOCK-YADHBBJMSA-N 2 2 352.522 3.795 20 0 FHADLP CC1(C)C[C@H]([NH2+]C[C@@H](CCO)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000090187108 932280998 /nfs/dbraw/zinc/28/09/98/932280998.db2.gz UNPZHIMWJYIOCK-YADHBBJMSA-N 2 2 352.522 3.795 20 0 FHADLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1(F)F ZINC000625653457 932373490 /nfs/dbraw/zinc/37/34/90/932373490.db2.gz QZOPVESCCBPMKE-LMMKCTJWSA-N 2 2 352.469 3.501 20 0 FHADLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1(F)F ZINC000625653457 932373493 /nfs/dbraw/zinc/37/34/93/932373493.db2.gz QZOPVESCCBPMKE-LMMKCTJWSA-N 2 2 352.469 3.501 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cccc(OC4CC4)c3F)[nH+]c2)C1 ZINC000656770922 932407371 /nfs/dbraw/zinc/40/73/71/932407371.db2.gz XIDSWOAZJNMNBP-KRWDZBQOSA-N 2 2 370.472 3.514 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1OC ZINC000581693887 932512624 /nfs/dbraw/zinc/51/26/24/932512624.db2.gz TYBDZUVQGKMRJD-GOSISDBHSA-N 2 2 369.509 3.925 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1OC ZINC000581693887 932512630 /nfs/dbraw/zinc/51/26/30/932512630.db2.gz TYBDZUVQGKMRJD-GOSISDBHSA-N 2 2 369.509 3.925 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000581911855 932996406 /nfs/dbraw/zinc/99/64/06/932996406.db2.gz MGAPEEUSKCQNSR-JXFKEZNVSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000581911855 932996410 /nfs/dbraw/zinc/99/64/10/932996410.db2.gz MGAPEEUSKCQNSR-JXFKEZNVSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000581911855 932996413 /nfs/dbraw/zinc/99/64/13/932996413.db2.gz MGAPEEUSKCQNSR-JXFKEZNVSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000581911855 932996417 /nfs/dbraw/zinc/99/64/17/932996417.db2.gz MGAPEEUSKCQNSR-JXFKEZNVSA-N 2 2 358.917 3.750 20 0 FHADLP Cc1ccccc1CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000084678534 933008095 /nfs/dbraw/zinc/00/80/95/933008095.db2.gz VHSCERPQCJPXAR-UHFFFAOYSA-N 2 2 351.538 3.962 20 0 FHADLP Cc1ccccc1CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000084678534 933008103 /nfs/dbraw/zinc/00/81/03/933008103.db2.gz VHSCERPQCJPXAR-UHFFFAOYSA-N 2 2 351.538 3.962 20 0 FHADLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000276717039 933025626 /nfs/dbraw/zinc/02/56/26/933025626.db2.gz DTQZRORYOFMJHY-CQSZACIVSA-N 2 2 367.428 3.590 20 0 FHADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000891841015 933543114 /nfs/dbraw/zinc/54/31/14/933543114.db2.gz ZXRZEZFRMJKVJS-UHFFFAOYSA-N 2 2 353.510 3.538 20 0 FHADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000891841015 933543121 /nfs/dbraw/zinc/54/31/21/933543121.db2.gz ZXRZEZFRMJKVJS-UHFFFAOYSA-N 2 2 353.510 3.538 20 0 FHADLP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000891842406 933560270 /nfs/dbraw/zinc/56/02/70/933560270.db2.gz LRSRHZCBPQYUJH-HXUWFJFHSA-N 2 2 362.518 3.557 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156560308 933759918 /nfs/dbraw/zinc/75/99/18/933759918.db2.gz PPQSKWWCNIQREK-CJNGLKHVSA-N 2 2 357.845 3.670 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000156560308 933759922 /nfs/dbraw/zinc/75/99/22/933759922.db2.gz PPQSKWWCNIQREK-CJNGLKHVSA-N 2 2 357.845 3.670 20 0 FHADLP CCC[NH+]1CCC([N@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000092165817 933970489 /nfs/dbraw/zinc/97/04/89/933970489.db2.gz PMVAMOXLTOEFJH-UHFFFAOYSA-N 2 2 358.505 3.934 20 0 FHADLP CCC[NH+]1CCC([N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 ZINC000092165817 933970494 /nfs/dbraw/zinc/97/04/94/933970494.db2.gz PMVAMOXLTOEFJH-UHFFFAOYSA-N 2 2 358.505 3.934 20 0 FHADLP C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)Cn1cc[nH+]c1 ZINC000092564314 934094059 /nfs/dbraw/zinc/09/40/59/934094059.db2.gz NHPMFHOIRSEXEL-LLVKDONJSA-N 2 2 374.229 3.673 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000647223872 934136883 /nfs/dbraw/zinc/13/68/83/934136883.db2.gz WXNAZALLGJMDLX-HUUCEWRRSA-N 2 2 365.315 3.663 20 0 FHADLP COc1ccc(Br)cc1C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000647223872 934136886 /nfs/dbraw/zinc/13/68/86/934136886.db2.gz WXNAZALLGJMDLX-HUUCEWRRSA-N 2 2 365.315 3.663 20 0 FHADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000277233013 934821954 /nfs/dbraw/zinc/82/19/54/934821954.db2.gz OWZGTTCXPNWDKJ-OAQYLSRUSA-N 2 2 351.494 3.855 20 0 FHADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000277233013 934821959 /nfs/dbraw/zinc/82/19/59/934821959.db2.gz OWZGTTCXPNWDKJ-OAQYLSRUSA-N 2 2 351.494 3.855 20 0 FHADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)C[C@@H](C)O1 ZINC000472046614 934890940 /nfs/dbraw/zinc/89/09/40/934890940.db2.gz AUPATHYVOMVPCI-ZIAGYGMSSA-N 2 2 365.930 3.696 20 0 FHADLP CCSc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000472062383 934919055 /nfs/dbraw/zinc/91/90/55/934919055.db2.gz JZSSALHLMUWNIC-NRFANRHFSA-N 2 2 356.535 3.525 20 0 FHADLP CCSc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000472062383 934919058 /nfs/dbraw/zinc/91/90/58/934919058.db2.gz JZSSALHLMUWNIC-NRFANRHFSA-N 2 2 356.535 3.525 20 0 FHADLP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000431328694 935078193 /nfs/dbraw/zinc/07/81/93/935078193.db2.gz OFODLDFKFWDOQR-PKOBYXMFSA-N 2 2 366.933 3.545 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664352 935206343 /nfs/dbraw/zinc/20/63/43/935206343.db2.gz DNUKAQRZZUUQQX-PBHICJAKSA-N 2 2 372.900 3.689 20 0 FHADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548664352 935206350 /nfs/dbraw/zinc/20/63/50/935206350.db2.gz DNUKAQRZZUUQQX-PBHICJAKSA-N 2 2 372.900 3.689 20 0 FHADLP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000657326720 935222603 /nfs/dbraw/zinc/22/26/03/935222603.db2.gz DXQMMDILLKWRHK-QGZVFWFLSA-N 2 2 351.450 3.576 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000657375418 935450897 /nfs/dbraw/zinc/45/08/97/935450897.db2.gz YEGFPGFTZYTMAZ-UZLBHIALSA-N 3 2 367.522 3.502 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H]1c1cccs1 ZINC000657375418 935450898 /nfs/dbraw/zinc/45/08/98/935450898.db2.gz YEGFPGFTZYTMAZ-UZLBHIALSA-N 3 2 367.522 3.502 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234071 935460674 /nfs/dbraw/zinc/46/06/74/935460674.db2.gz BBVOVAILOKOOEY-SWLSCSKDSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000892234071 935460677 /nfs/dbraw/zinc/46/06/77/935460677.db2.gz BBVOVAILOKOOEY-SWLSCSKDSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000892234071 935460681 /nfs/dbraw/zinc/46/06/81/935460681.db2.gz BBVOVAILOKOOEY-SWLSCSKDSA-N 2 2 359.461 3.697 20 0 FHADLP FC(F)(F)Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000892234071 935460683 /nfs/dbraw/zinc/46/06/83/935460683.db2.gz BBVOVAILOKOOEY-SWLSCSKDSA-N 2 2 359.461 3.697 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388421 935506120 /nfs/dbraw/zinc/50/61/20/935506120.db2.gz KYXVPIRJAXHRPT-ZBFHGGJFSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388421 935506124 /nfs/dbraw/zinc/50/61/24/935506124.db2.gz KYXVPIRJAXHRPT-ZBFHGGJFSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243753 935695697 /nfs/dbraw/zinc/69/56/97/935695697.db2.gz NPAOUTGYAUEBRR-ZDUSSCGKSA-N 2 2 366.387 3.566 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739878 935805091 /nfs/dbraw/zinc/80/50/91/935805091.db2.gz HWJUCSOJRLNSGC-UHFFFAOYSA-N 2 2 364.424 3.860 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106215101 945138336 /nfs/dbraw/zinc/13/83/36/945138336.db2.gz JWGZUJFGSJFQHI-ZWKOTPCHSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000106215101 945138344 /nfs/dbraw/zinc/13/83/44/945138344.db2.gz JWGZUJFGSJFQHI-ZWKOTPCHSA-N 2 2 354.498 3.726 20 0 FHADLP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3c(C)cccc3C)CC2)[nH+]1 ZINC000077316609 936044526 /nfs/dbraw/zinc/04/45/26/936044526.db2.gz CUPWVQRUDABDTA-GOSISDBHSA-N 2 2 366.509 3.910 20 0 FHADLP c1cn(-c2ccc(C[N@H+]3CCOC[C@@H]3Cc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000685042865 936236195 /nfs/dbraw/zinc/23/61/95/936236195.db2.gz BPZLKDULTQXPOB-NRFANRHFSA-N 2 2 372.472 3.797 20 0 FHADLP c1cn(-c2ccc(C[N@@H+]3CCOC[C@@H]3Cc3c[nH]c4ccccc34)cc2)c[nH+]1 ZINC000685042865 936236199 /nfs/dbraw/zinc/23/61/99/936236199.db2.gz BPZLKDULTQXPOB-NRFANRHFSA-N 2 2 372.472 3.797 20 0 FHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000582933552 936304896 /nfs/dbraw/zinc/30/48/96/936304896.db2.gz JFRXRFGUYLNYLN-JTQLQIEISA-N 2 2 362.193 3.843 20 0 FHADLP Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc(C2CCC2)[nH+]1 ZINC000892338992 938275616 /nfs/dbraw/zinc/27/56/16/938275616.db2.gz DAESCJNIQYYQSI-UHFFFAOYSA-N 2 2 366.509 3.621 20 0 FHADLP C[NH2+]Cc1ccccc1C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000650756690 938417280 /nfs/dbraw/zinc/41/72/80/938417280.db2.gz HUCGBJAZIIJGLI-FQEVSTJZSA-N 2 2 354.885 3.672 20 0 FHADLP CSc1ccc([C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N(C)C)cc1 ZINC000583803248 938422810 /nfs/dbraw/zinc/42/28/10/938422810.db2.gz XXPGUCCFTOOZBS-FQEVSTJZSA-N 2 2 370.566 3.665 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650760465 938434971 /nfs/dbraw/zinc/43/49/71/938434971.db2.gz DQWFAENYQXCLDH-UZKOGDIHSA-N 2 2 364.537 3.699 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650760465 938434972 /nfs/dbraw/zinc/43/49/72/938434972.db2.gz DQWFAENYQXCLDH-UZKOGDIHSA-N 2 2 364.537 3.699 20 0 FHADLP OC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000536162365 938485807 /nfs/dbraw/zinc/48/58/07/938485807.db2.gz BZOMVJHEPFPVTG-GOSISDBHSA-N 2 2 361.367 3.714 20 0 FHADLP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000151323197 938527593 /nfs/dbraw/zinc/52/75/93/938527593.db2.gz BSDWMGMEEHOBRX-SFHVURJKSA-N 2 2 365.477 3.807 20 0 FHADLP C[C@H](C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000584110968 938605325 /nfs/dbraw/zinc/60/53/25/938605325.db2.gz CTMNTJCFWWSEHT-MAUKXSAKSA-N 2 2 372.538 3.650 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(N(C)C)[nH+]1 ZINC000162144397 938681028 /nfs/dbraw/zinc/68/10/28/938681028.db2.gz FIOGOTITAFFUBC-ZWKOTPCHSA-N 2 2 373.545 3.574 20 0 FHADLP Cc1ccc(NC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(N(C)C)[nH+]1 ZINC000162144397 938681030 /nfs/dbraw/zinc/68/10/30/938681030.db2.gz FIOGOTITAFFUBC-ZWKOTPCHSA-N 2 2 373.545 3.574 20 0 FHADLP CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C(=O)NCc1cccs1 ZINC000647333175 938822849 /nfs/dbraw/zinc/82/28/49/938822849.db2.gz NIBKAMNXTIOUOU-KXBFYZLASA-N 2 2 368.506 3.679 20 0 FHADLP C[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443809 938987061 /nfs/dbraw/zinc/98/70/61/938987061.db2.gz JHXWFOYJKQKHAA-DFNIBXOVSA-N 2 2 358.917 3.642 20 0 FHADLP C[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000685443809 938987062 /nfs/dbraw/zinc/98/70/62/938987062.db2.gz JHXWFOYJKQKHAA-DFNIBXOVSA-N 2 2 358.917 3.642 20 0 FHADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000685443809 938987063 /nfs/dbraw/zinc/98/70/63/938987063.db2.gz JHXWFOYJKQKHAA-DFNIBXOVSA-N 2 2 358.917 3.642 20 0 FHADLP C[NH+](Cc1cnn(Cc2ccccc2Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000685443809 938987064 /nfs/dbraw/zinc/98/70/64/938987064.db2.gz JHXWFOYJKQKHAA-DFNIBXOVSA-N 2 2 358.917 3.642 20 0 FHADLP Fc1cccn2cc(C[NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)nc12 ZINC000685632419 939006492 /nfs/dbraw/zinc/00/64/92/939006492.db2.gz PKQFBBUPFHQFPT-IBGZPJMESA-N 2 2 366.484 3.865 20 0 FHADLP Fc1cccn2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000685632419 939006493 /nfs/dbraw/zinc/00/64/93/939006493.db2.gz PKQFBBUPFHQFPT-IBGZPJMESA-N 2 2 366.484 3.865 20 0 FHADLP FC(F)(F)Oc1cccc([C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C2CC2)c1 ZINC000685662295 939010273 /nfs/dbraw/zinc/01/02/73/939010273.db2.gz IQJJVINRMLBLDZ-SUMWQHHRSA-N 2 2 351.372 3.907 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)F)nc1 ZINC000657953381 939011380 /nfs/dbraw/zinc/01/13/80/939011380.db2.gz OMOMPSTUEROABW-CZUORRHYSA-N 2 2 361.440 3.728 20 0 FHADLP COc1cc2ccc([C@H](C)[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2cc1OC ZINC000657981370 939015571 /nfs/dbraw/zinc/01/55/71/939015571.db2.gz QIIIBDFUFDZZCS-KBXCAEBGSA-N 2 2 351.450 3.719 20 0 FHADLP COCCOc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336947 939015793 /nfs/dbraw/zinc/01/57/93/939015793.db2.gz QWZVHIGJGAZIOQ-OAQYLSRUSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336947 939015794 /nfs/dbraw/zinc/01/57/94/939015794.db2.gz QWZVHIGJGAZIOQ-OAQYLSRUSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336947 939015795 /nfs/dbraw/zinc/01/57/95/939015795.db2.gz QWZVHIGJGAZIOQ-OAQYLSRUSA-N 2 2 368.521 3.666 20 0 FHADLP COCCOc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336947 939015796 /nfs/dbraw/zinc/01/57/96/939015796.db2.gz QWZVHIGJGAZIOQ-OAQYLSRUSA-N 2 2 368.521 3.666 20 0 FHADLP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)c[nH+]1 ZINC000585748446 939017940 /nfs/dbraw/zinc/01/79/40/939017940.db2.gz ARGXROFVQDZOLU-UHFFFAOYSA-N 3 2 352.526 3.960 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091033 939022315 /nfs/dbraw/zinc/02/23/15/939022315.db2.gz KGZPHSJVFDWRQH-GOEBONIOSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091033 939022316 /nfs/dbraw/zinc/02/23/16/939022316.db2.gz KGZPHSJVFDWRQH-GOEBONIOSA-N 2 2 351.922 3.828 20 0 FHADLP FC(F)(F)[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC1CCCC1 ZINC000658123052 939033076 /nfs/dbraw/zinc/03/30/76/939033076.db2.gz IVATVFGQJRYKJW-MRXNPFEDSA-N 2 2 357.420 3.530 20 0 FHADLP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(OC)c1 ZINC000658162825 939051729 /nfs/dbraw/zinc/05/17/29/939051729.db2.gz GGWREIUECMKCNO-JOCHJYFZSA-N 2 2 354.494 3.637 20 0 FHADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293066 939100278 /nfs/dbraw/zinc/10/02/78/939100278.db2.gz CQKJCNMCFTXZCT-RHSMWYFYSA-N 2 2 352.906 3.643 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1OC(F)F ZINC000658293883 939100496 /nfs/dbraw/zinc/10/04/96/939100496.db2.gz JTCYYBSZYZBMBF-SWLSCSKDSA-N 2 2 374.859 3.845 20 0 FHADLP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293827 939100864 /nfs/dbraw/zinc/10/08/64/939100864.db2.gz DBERPOBGLVHAMB-KXBFYZLASA-N 2 2 370.459 3.869 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1OC ZINC000658295296 939101422 /nfs/dbraw/zinc/10/14/22/939101422.db2.gz RPPCKDGPRSRGFA-AEFFLSMTSA-N 2 2 352.906 3.643 20 0 FHADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000658295818 939101719 /nfs/dbraw/zinc/10/17/19/939101719.db2.gz ORHXTPQTVPJPSH-AEFFLSMTSA-N 2 2 372.431 3.879 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(SCC(F)F)cc1 ZINC000658295965 939101776 /nfs/dbraw/zinc/10/17/76/939101776.db2.gz WOCRMIOSRBGZKP-RHSMWYFYSA-N 2 2 370.509 3.948 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327416 939104795 /nfs/dbraw/zinc/10/47/95/939104795.db2.gz OCPWCGLFIXKOAR-WMLDXEAASA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327416 939104797 /nfs/dbraw/zinc/10/47/97/939104797.db2.gz OCPWCGLFIXKOAR-WMLDXEAASA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327417 939105561 /nfs/dbraw/zinc/10/55/61/939105561.db2.gz OCPWCGLFIXKOAR-YOEHRIQHSA-N 2 2 374.447 3.654 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H](C)C1 ZINC000658327417 939105563 /nfs/dbraw/zinc/10/55/63/939105563.db2.gz OCPWCGLFIXKOAR-YOEHRIQHSA-N 2 2 374.447 3.654 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318914 939110625 /nfs/dbraw/zinc/11/06/25/939110625.db2.gz UVNSPIFHXCXOBK-UYAOXDASSA-N 2 2 352.526 3.681 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318914 939110628 /nfs/dbraw/zinc/11/06/28/939110628.db2.gz UVNSPIFHXCXOBK-UYAOXDASSA-N 2 2 352.526 3.681 20 0 FHADLP FC(F)(F)C1CC[NH+](C2CC([NH2+][C@@H]3CCc4cccnc4CC3)C2)CC1 ZINC000421850400 939133307 /nfs/dbraw/zinc/13/33/07/939133307.db2.gz DKOHSEUIRSYKRJ-WWDZGPRUSA-N 2 2 367.459 3.724 20 0 FHADLP C[N@H+](CCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000548883972 939193688 /nfs/dbraw/zinc/19/36/88/939193688.db2.gz VJNCYIBKAMVQOA-SFHVURJKSA-N 2 2 372.557 3.580 20 0 FHADLP C[N@@H+](CCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCCCC1 ZINC000548883972 939193690 /nfs/dbraw/zinc/19/36/90/939193690.db2.gz VJNCYIBKAMVQOA-SFHVURJKSA-N 2 2 372.557 3.580 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647480918 940064168 /nfs/dbraw/zinc/06/41/68/940064168.db2.gz BOYAPJSTAYXAEE-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(Cl)c1OC ZINC000647480918 940064174 /nfs/dbraw/zinc/06/41/74/940064174.db2.gz BOYAPJSTAYXAEE-DOTOQJQBSA-N 2 2 352.906 3.711 20 0 FHADLP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050520 940082116 /nfs/dbraw/zinc/08/21/16/940082116.db2.gz ZHAOBAOXOFEYNF-UHFFFAOYSA-N 2 2 374.488 3.788 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000511380333 940282111 /nfs/dbraw/zinc/28/21/11/940282111.db2.gz RPUCWELOSVTDQF-OAQYLSRUSA-N 2 2 373.928 3.719 20 0 FHADLP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000177807222 940443494 /nfs/dbraw/zinc/44/34/94/940443494.db2.gz CHWLKOOWEXPAQL-UHFFFAOYSA-N 2 2 372.472 3.795 20 0 FHADLP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1cc2n(n1)CCC2 ZINC000414096701 940502121 /nfs/dbraw/zinc/50/21/21/940502121.db2.gz HVADDYUEQBYYOG-KURKYZTESA-N 2 2 352.526 3.637 20 0 FHADLP C[N@H+](CCSc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175783925 940928087 /nfs/dbraw/zinc/92/80/87/940928087.db2.gz LREQSEJMVGGMQE-UHFFFAOYSA-N 2 2 373.541 3.952 20 0 FHADLP C[N@@H+](CCSc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175783925 940928092 /nfs/dbraw/zinc/92/80/92/940928092.db2.gz LREQSEJMVGGMQE-UHFFFAOYSA-N 2 2 373.541 3.952 20 0 FHADLP CC1CC[NH+](CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000161775086 940966451 /nfs/dbraw/zinc/96/64/51/940966451.db2.gz FXJQFCAZRZXXIX-UHFFFAOYSA-N 3 2 361.549 3.544 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414340288 941004950 /nfs/dbraw/zinc/00/49/50/941004950.db2.gz MPECRWVDSYQMRL-HIIFVVRCSA-N 2 2 365.521 3.694 20 0 FHADLP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000414340288 941004951 /nfs/dbraw/zinc/00/49/51/941004951.db2.gz MPECRWVDSYQMRL-HIIFVVRCSA-N 2 2 365.521 3.694 20 0 FHADLP C[C@H](C[C@@H]1CCCCCN1C(=O)OC(C)(C)C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000311253104 941151697 /nfs/dbraw/zinc/15/16/97/941151697.db2.gz HNYJBOKJOHIOAM-KURKYZTESA-N 2 2 364.534 3.820 20 0 FHADLP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415064997 941577469 /nfs/dbraw/zinc/57/74/69/941577469.db2.gz LYFSRBNPGXAXIX-OXJNMPFZSA-N 2 2 353.510 3.818 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000415063048 941581004 /nfs/dbraw/zinc/58/10/04/941581004.db2.gz GTGLEBHBOAELKN-SFHVURJKSA-N 2 2 356.420 3.707 20 0 FHADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000163702396 941588334 /nfs/dbraw/zinc/58/83/34/941588334.db2.gz HIMDNHOSHGJKBF-FQEVSTJZSA-N 2 2 354.519 3.846 20 0 FHADLP FC(F)(F)c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)s2)cc1 ZINC000415091670 941601706 /nfs/dbraw/zinc/60/17/06/941601706.db2.gz DAEAUDMUCVWAGH-AWEZNQCLSA-N 2 2 356.413 3.512 20 0 FHADLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000472770651 941732366 /nfs/dbraw/zinc/73/23/66/941732366.db2.gz MKBMZRDCZRWIBJ-BVSLBCMMSA-N 2 2 356.485 3.749 20 0 FHADLP C[N@H+](CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCC1 ZINC000513221352 941794409 /nfs/dbraw/zinc/79/44/09/941794409.db2.gz CKTPLYRYLGJKAV-UHFFFAOYSA-N 2 2 367.940 3.908 20 0 FHADLP C[N@@H+](CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1)C1CCCC1 ZINC000513221352 941794410 /nfs/dbraw/zinc/79/44/10/941794410.db2.gz CKTPLYRYLGJKAV-UHFFFAOYSA-N 2 2 367.940 3.908 20 0 FHADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCN1c1ccccc1 ZINC000513226312 941797758 /nfs/dbraw/zinc/79/77/58/941797758.db2.gz ICLFBHSZWKPIKM-OAQYLSRUSA-N 2 2 355.526 3.569 20 0 FHADLP C[N@@H+]1CC[C@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138580 941798707 /nfs/dbraw/zinc/79/87/07/941798707.db2.gz NOJKXVLIQDTHIU-SFHVURJKSA-N 2 2 353.293 3.797 20 0 FHADLP C[N@H+]1CC[C@]2(CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138580 941798708 /nfs/dbraw/zinc/79/87/08/941798708.db2.gz NOJKXVLIQDTHIU-SFHVURJKSA-N 2 2 353.293 3.797 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138580 941798712 /nfs/dbraw/zinc/79/87/12/941798712.db2.gz NOJKXVLIQDTHIU-SFHVURJKSA-N 2 2 353.293 3.797 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@@H+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)C2)C1 ZINC000430138580 941798716 /nfs/dbraw/zinc/79/87/16/941798716.db2.gz NOJKXVLIQDTHIU-SFHVURJKSA-N 2 2 353.293 3.797 20 0 FHADLP O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415591311 941934350 /nfs/dbraw/zinc/93/43/50/941934350.db2.gz CHTBIDZOEMXWBK-KRWDZBQOSA-N 2 2 367.497 3.540 20 0 FHADLP CCCC[C@H](C[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415597278 941937599 /nfs/dbraw/zinc/93/75/99/941937599.db2.gz NLYFGXFIYDWGQV-QGZVFWFLSA-N 2 2 355.486 3.525 20 0 FHADLP CC[NH+](CC)CCCC1CCN(C(=O)NCc2cc(C)[nH+]c(C)c2)CC1 ZINC000420851409 942230201 /nfs/dbraw/zinc/23/02/01/942230201.db2.gz QYFFGIWVVPYBBJ-UHFFFAOYSA-N 2 2 360.546 3.742 20 0 FHADLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000420910977 942249993 /nfs/dbraw/zinc/24/99/93/942249993.db2.gz FUTOMYIJGBFLEU-GOSISDBHSA-N 2 2 354.494 3.808 20 0 FHADLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H](C)c1cccc(O)c1 ZINC000420910977 942249996 /nfs/dbraw/zinc/24/99/96/942249996.db2.gz FUTOMYIJGBFLEU-GOSISDBHSA-N 2 2 354.494 3.808 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000420960230 942277018 /nfs/dbraw/zinc/27/70/18/942277018.db2.gz HKEMDURCFGWSEM-HGSOSGBHSA-N 2 2 350.506 3.812 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCO1 ZINC000420960230 942277021 /nfs/dbraw/zinc/27/70/21/942277021.db2.gz HKEMDURCFGWSEM-HGSOSGBHSA-N 2 2 350.506 3.812 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3ccccc3C(C)C)CC2)CC1 ZINC000421035727 942304686 /nfs/dbraw/zinc/30/46/86/942304686.db2.gz MJSFECHAENUVNL-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3ccccc3C(C)C)CC2)CC1 ZINC000421035727 942304691 /nfs/dbraw/zinc/30/46/91/942304691.db2.gz MJSFECHAENUVNL-UHFFFAOYSA-N 2 2 372.557 3.834 20 0 FHADLP CCc1cc(NC(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)ccc1C ZINC000421089873 942340710 /nfs/dbraw/zinc/34/07/10/942340710.db2.gz NMRGUQHKZDMQHC-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP CCc1cc(NC(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)ccc1C ZINC000421089873 942340713 /nfs/dbraw/zinc/34/07/13/942340713.db2.gz NMRGUQHKZDMQHC-UHFFFAOYSA-N 2 2 372.557 3.581 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502326804 942352082 /nfs/dbraw/zinc/35/20/82/942352082.db2.gz PARDGYUADSXKID-QGZVFWFLSA-N 2 2 355.482 3.616 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(OC)c1 ZINC000502326804 942352087 /nfs/dbraw/zinc/35/20/87/942352087.db2.gz PARDGYUADSXKID-QGZVFWFLSA-N 2 2 355.482 3.616 20 0 FHADLP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000502335341 942366457 /nfs/dbraw/zinc/36/64/57/942366457.db2.gz UKAANHYAUIWZHE-IBGZPJMESA-N 2 2 367.541 3.839 20 0 FHADLP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000502335341 942366461 /nfs/dbraw/zinc/36/64/61/942366461.db2.gz UKAANHYAUIWZHE-IBGZPJMESA-N 2 2 367.541 3.839 20 0 FHADLP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502362691 942380802 /nfs/dbraw/zinc/38/08/02/942380802.db2.gz WNEQCKZLCQVAPO-LJQANCHMSA-N 2 2 352.482 3.707 20 0 FHADLP [NH3+][C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)c1ccccc1 ZINC000414825792 942456840 /nfs/dbraw/zinc/45/68/40/942456840.db2.gz DDXSGWLAJQBVGK-FQEVSTJZSA-N 2 2 361.493 3.850 20 0 FHADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]Cc2cccc(C3CC3)c2)c1 ZINC000421327729 942484551 /nfs/dbraw/zinc/48/45/51/942484551.db2.gz QVVUVGQLBCBRPB-UHFFFAOYSA-N 2 2 366.505 3.565 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502551499 942529973 /nfs/dbraw/zinc/52/99/73/942529973.db2.gz MIZYVMZYIZHXOK-FGTMMUONSA-N 2 2 369.912 3.507 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502551499 942529981 /nfs/dbraw/zinc/52/99/81/942529981.db2.gz MIZYVMZYIZHXOK-FGTMMUONSA-N 2 2 369.912 3.507 20 0 FHADLP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000414840061 942554565 /nfs/dbraw/zinc/55/45/65/942554565.db2.gz GJRCYABXEYXHDH-SFHVURJKSA-N 2 2 352.507 3.502 20 0 FHADLP CCCc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)n1 ZINC000414525472 942614646 /nfs/dbraw/zinc/61/46/46/942614646.db2.gz IYGCVYZHELZMNY-UYAOXDASSA-N 2 2 373.566 3.722 20 0 FHADLP CCCc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2OCC)n1 ZINC000414525472 942614651 /nfs/dbraw/zinc/61/46/51/942614651.db2.gz IYGCVYZHELZMNY-UYAOXDASSA-N 2 2 373.566 3.722 20 0 FHADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000420313158 942617339 /nfs/dbraw/zinc/61/73/39/942617339.db2.gz XPRBVPMKNTVFSK-ZEQRLZLVSA-N 2 2 358.485 3.600 20 0 FHADLP C[N@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)[C@H](C[NH3+])C1CC1 ZINC000420320926 942622157 /nfs/dbraw/zinc/62/21/57/942622157.db2.gz UOGPJTNSGMQTGV-OAHLLOKOSA-N 2 2 360.914 3.885 20 0 FHADLP C[N@@H+](Cc1c(-c2ccc(Cl)cc2)nc2sccn12)[C@H](C[NH3+])C1CC1 ZINC000420320926 942622160 /nfs/dbraw/zinc/62/21/60/942622160.db2.gz UOGPJTNSGMQTGV-OAHLLOKOSA-N 2 2 360.914 3.885 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420361927 942639970 /nfs/dbraw/zinc/63/99/70/942639970.db2.gz NUBKJPHMICWUGM-MRXNPFEDSA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420361927 942639973 /nfs/dbraw/zinc/63/99/73/942639973.db2.gz NUBKJPHMICWUGM-MRXNPFEDSA-N 2 2 359.297 3.529 20 0 FHADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000628351510 942659033 /nfs/dbraw/zinc/65/90/33/942659033.db2.gz HAFRJDDXYWNCJV-IBGZPJMESA-N 2 2 351.494 3.944 20 0 FHADLP c1nc(C2CC2)oc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000628351510 942659036 /nfs/dbraw/zinc/65/90/36/942659036.db2.gz HAFRJDDXYWNCJV-IBGZPJMESA-N 2 2 351.494 3.944 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401415 942660988 /nfs/dbraw/zinc/66/09/88/942660988.db2.gz JGXKCNQGFYHWAS-BZPMIXESSA-N 2 2 368.403 3.733 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420401415 942660992 /nfs/dbraw/zinc/66/09/92/942660992.db2.gz JGXKCNQGFYHWAS-BZPMIXESSA-N 2 2 368.403 3.733 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404204 942662867 /nfs/dbraw/zinc/66/28/67/942662867.db2.gz LXVIYTAUTCPWHI-KURKYZTESA-N 2 2 367.493 3.723 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404204 942662868 /nfs/dbraw/zinc/66/28/68/942662868.db2.gz LXVIYTAUTCPWHI-KURKYZTESA-N 2 2 367.493 3.723 20 0 FHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378368795 942664850 /nfs/dbraw/zinc/66/48/50/942664850.db2.gz IKOYOMJKCRWCNP-QZTJIDSGSA-N 2 2 368.525 3.503 20 0 FHADLP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378368795 942664855 /nfs/dbraw/zinc/66/48/55/942664855.db2.gz IKOYOMJKCRWCNP-QZTJIDSGSA-N 2 2 368.525 3.503 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)s1 ZINC000434673357 942859500 /nfs/dbraw/zinc/85/95/00/942859500.db2.gz CQUDBNXHGYBPNQ-UHFFFAOYSA-N 2 2 373.522 3.756 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414852234 942926971 /nfs/dbraw/zinc/92/69/71/942926971.db2.gz QODVYKIBSNYGQP-HNNXBMFYSA-N 2 2 354.420 3.589 20 0 FHADLP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000378607130 942951347 /nfs/dbraw/zinc/95/13/47/942951347.db2.gz FUPADFPPZAGOBT-NRFANRHFSA-N 2 2 369.484 3.731 20 0 FHADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000503076531 942959627 /nfs/dbraw/zinc/95/96/27/942959627.db2.gz VDGOJKGMKXAPIA-UHFFFAOYSA-N 2 2 356.495 3.749 20 0 FHADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(COc2ccccc2)n1 ZINC000503076531 942959630 /nfs/dbraw/zinc/95/96/30/942959630.db2.gz VDGOJKGMKXAPIA-UHFFFAOYSA-N 2 2 356.495 3.749 20 0 FHADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000582066310 943014835 /nfs/dbraw/zinc/01/48/35/943014835.db2.gz XOUGXUGAHIQHMW-GOSISDBHSA-N 2 2 360.299 3.573 20 0 FHADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000582066310 943014839 /nfs/dbraw/zinc/01/48/39/943014839.db2.gz XOUGXUGAHIQHMW-GOSISDBHSA-N 2 2 360.299 3.573 20 0 FHADLP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434984242 943074923 /nfs/dbraw/zinc/07/49/23/943074923.db2.gz ZSINYFFPBXODCN-LBPRGKRZSA-N 2 2 366.387 3.635 20 0 FHADLP C[NH+](C)[C@@H]1CCOc2c(NC3CCN(c4cccc[nH+]4)CC3)cccc21 ZINC000435020629 943101591 /nfs/dbraw/zinc/10/15/91/943101591.db2.gz KZJMVNXGQHJLNO-LJQANCHMSA-N 2 2 352.482 3.548 20 0 FHADLP COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503389863 943154431 /nfs/dbraw/zinc/15/44/31/943154431.db2.gz HXASIJJUDMFPDI-MRXNPFEDSA-N 2 2 371.456 3.525 20 0 FHADLP COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000503389863 943154435 /nfs/dbraw/zinc/15/44/35/943154435.db2.gz HXASIJJUDMFPDI-MRXNPFEDSA-N 2 2 371.456 3.525 20 0 FHADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413852 943171546 /nfs/dbraw/zinc/17/15/46/943171546.db2.gz VEGIFHCANDFUBY-RTBURBONSA-N 2 2 374.573 3.730 20 0 FHADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503413852 943171551 /nfs/dbraw/zinc/17/15/51/943171551.db2.gz VEGIFHCANDFUBY-RTBURBONSA-N 2 2 374.573 3.730 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433427 943180547 /nfs/dbraw/zinc/18/05/47/943180547.db2.gz QICCWMNKVROZOY-QZTJIDSGSA-N 2 2 372.557 3.578 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503433427 943180548 /nfs/dbraw/zinc/18/05/48/943180548.db2.gz QICCWMNKVROZOY-QZTJIDSGSA-N 2 2 372.557 3.578 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000422638484 943207828 /nfs/dbraw/zinc/20/78/28/943207828.db2.gz QJWKZYLRNHHCNZ-LQWHRVPQSA-N 2 2 365.521 3.521 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000422638484 943207833 /nfs/dbraw/zinc/20/78/33/943207833.db2.gz QJWKZYLRNHHCNZ-LQWHRVPQSA-N 2 2 365.521 3.521 20 0 FHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136908 943213973 /nfs/dbraw/zinc/21/39/73/943213973.db2.gz XGDBBLFSCZIVPB-QHCPKHFHSA-N 2 2 364.537 3.753 20 0 FHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136908 943213976 /nfs/dbraw/zinc/21/39/76/943213976.db2.gz XGDBBLFSCZIVPB-QHCPKHFHSA-N 2 2 364.537 3.753 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136908 943213981 /nfs/dbraw/zinc/21/39/81/943213981.db2.gz XGDBBLFSCZIVPB-QHCPKHFHSA-N 2 2 364.537 3.753 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)C1 ZINC000430136908 943213985 /nfs/dbraw/zinc/21/39/85/943213985.db2.gz XGDBBLFSCZIVPB-QHCPKHFHSA-N 2 2 364.537 3.753 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C[NH3+] ZINC000422631177 943214375 /nfs/dbraw/zinc/21/43/75/943214375.db2.gz FEIBHMXWZBJRFY-YRGRVCCFSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C[NH3+] ZINC000422631177 943214380 /nfs/dbraw/zinc/21/43/80/943214380.db2.gz FEIBHMXWZBJRFY-YRGRVCCFSA-N 2 2 368.403 3.561 20 0 FHADLP c1ccc(C(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000422727658 943262513 /nfs/dbraw/zinc/26/25/13/943262513.db2.gz HTYWXBYELWGBRS-DHIUTWEWSA-N 2 2 350.506 3.565 20 0 FHADLP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422737793 943264491 /nfs/dbraw/zinc/26/44/91/943264491.db2.gz ILORSEFFLVPKRC-IIYDPXPESA-N 2 2 363.502 3.675 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813972 943292716 /nfs/dbraw/zinc/29/27/16/943292716.db2.gz SRUXQKINGFJVAB-OIDISNMWSA-N 3 2 365.521 3.530 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813972 943292718 /nfs/dbraw/zinc/29/27/18/943292718.db2.gz SRUXQKINGFJVAB-OIDISNMWSA-N 3 2 365.521 3.530 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836567 943301102 /nfs/dbraw/zinc/30/11/02/943301102.db2.gz KIUXCFMDMLEAIM-ZWOKBUDYSA-N 3 2 352.526 3.552 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000422836567 943301105 /nfs/dbraw/zinc/30/11/05/943301105.db2.gz KIUXCFMDMLEAIM-ZWOKBUDYSA-N 3 2 352.526 3.552 20 0 FHADLP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(OC[C@@H]2CCCO2)c1 ZINC000422878304 943313617 /nfs/dbraw/zinc/31/36/17/943313617.db2.gz SQPOYNXFQODYON-BVYCBKJFSA-N 2 2 368.521 3.601 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888254 943318197 /nfs/dbraw/zinc/31/81/97/943318197.db2.gz CHKYKZHNKDZSTM-NHCUHLMSSA-N 3 2 353.510 3.642 20 0 FHADLP CC[C@H]([NH2+]Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422888845 943319026 /nfs/dbraw/zinc/31/90/26/943319026.db2.gz DSLNTDPHUXVCRZ-PMACEKPBSA-N 2 2 355.457 3.698 20 0 FHADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000422917843 943340981 /nfs/dbraw/zinc/34/09/81/943340981.db2.gz FUIGHJZDVJGDNU-DENIHFKCSA-N 2 2 364.493 3.740 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422944842 943344862 /nfs/dbraw/zinc/34/48/62/943344862.db2.gz MQRROFRHBXKFIB-JRHJTHGVSA-N 2 2 362.517 3.640 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000423019553 943366418 /nfs/dbraw/zinc/36/64/18/943366418.db2.gz WDZAPDOIBVDDLP-QWFCFKBJSA-N 2 2 354.494 3.683 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022896 943369908 /nfs/dbraw/zinc/36/99/08/943369908.db2.gz IMYLTRKAPRGFRW-JECZMYCTSA-N 2 2 353.913 3.592 20 0 FHADLP O[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000425366316 943375144 /nfs/dbraw/zinc/37/51/44/943375144.db2.gz PGQABBJBELEPOU-QZTJIDSGSA-N 2 2 359.882 3.895 20 0 FHADLP O[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1c1ccc(Cl)cc1 ZINC000425366316 943375149 /nfs/dbraw/zinc/37/51/49/943375149.db2.gz PGQABBJBELEPOU-QZTJIDSGSA-N 2 2 359.882 3.895 20 0 FHADLP COc1ccc([C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080885 943386934 /nfs/dbraw/zinc/38/69/34/943386934.db2.gz TWPRXOCYRGVYEF-CWKRKGSWSA-N 2 2 366.505 3.856 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420680 943400652 /nfs/dbraw/zinc/40/06/52/943400652.db2.gz FFDISGKIDNIOTC-XQQSMPNESA-N 2 2 368.500 3.700 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435420680 943400654 /nfs/dbraw/zinc/40/06/54/943400654.db2.gz FFDISGKIDNIOTC-XQQSMPNESA-N 2 2 368.500 3.700 20 0 FHADLP Clc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423106257 943401666 /nfs/dbraw/zinc/40/16/66/943401666.db2.gz RFIWZVJOHOLSDY-USJZOSNVSA-N 2 2 355.309 3.596 20 0 FHADLP COc1c(C)cc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435425925 943405825 /nfs/dbraw/zinc/40/58/25/943405825.db2.gz FMBRHFLICMPONC-SFHVURJKSA-N 2 2 371.550 3.913 20 0 FHADLP COc1c(C)cc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435425925 943405829 /nfs/dbraw/zinc/40/58/29/943405829.db2.gz FMBRHFLICMPONC-SFHVURJKSA-N 2 2 371.550 3.913 20 0 FHADLP CCn1ccnc1C[N@H+](Cc1ccc(SC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436181 943415107 /nfs/dbraw/zinc/41/51/07/943415107.db2.gz DUDFLINBTNTWDU-IBGZPJMESA-N 2 2 370.566 3.769 20 0 FHADLP CCn1ccnc1C[N@@H+](Cc1ccc(SC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436181 943415110 /nfs/dbraw/zinc/41/51/10/943415110.db2.gz DUDFLINBTNTWDU-IBGZPJMESA-N 2 2 370.566 3.769 20 0 FHADLP COc1ccccc1/C=C\C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435447327 943422984 /nfs/dbraw/zinc/42/29/84/943422984.db2.gz OUMIQHUZIBFVAI-WVRJYTFGSA-N 2 2 357.523 3.585 20 0 FHADLP COc1ccccc1/C=C\C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435447327 943422987 /nfs/dbraw/zinc/42/29/87/943422987.db2.gz OUMIQHUZIBFVAI-WVRJYTFGSA-N 2 2 357.523 3.585 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC000435447282 943423156 /nfs/dbraw/zinc/42/31/56/943423156.db2.gz ONKQMXJCPWGRAS-SFHVURJKSA-N 2 2 359.539 3.850 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(C)C)c1)C[C@H]1CC[NH2+]C1 ZINC000435447282 943423160 /nfs/dbraw/zinc/42/31/60/943423160.db2.gz ONKQMXJCPWGRAS-SFHVURJKSA-N 2 2 359.539 3.850 20 0 FHADLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC(F)F ZINC000423231124 943452817 /nfs/dbraw/zinc/45/28/17/943452817.db2.gz KYBYZDVIGVWFTJ-INIZCTEOSA-N 2 2 362.424 3.656 20 0 FHADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423287329 943464742 /nfs/dbraw/zinc/46/47/42/943464742.db2.gz LNQILWMGLZCXCX-OAHLLOKOSA-N 2 2 352.544 3.571 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000423289228 943465359 /nfs/dbraw/zinc/46/53/59/943465359.db2.gz APIZWEKQXWKBSW-AUUYWEPGSA-N 2 2 354.885 3.972 20 0 FHADLP Fc1ccc2c(cc[nH+]c2N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000515057336 943479982 /nfs/dbraw/zinc/47/99/82/943479982.db2.gz XGNZJIVAHMOVFR-UHFFFAOYSA-N 2 2 357.473 3.703 20 0 FHADLP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369835 943493712 /nfs/dbraw/zinc/49/37/12/943493712.db2.gz OXLNQQPFUQCIGU-FYINFDKHSA-N 2 2 359.464 3.806 20 0 FHADLP CCOC(=O)C1(C)CCC([NH2+][C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000423386426 943498440 /nfs/dbraw/zinc/49/84/40/943498440.db2.gz HEYLOEJBYQFRAB-FUHYEJFZSA-N 2 2 354.494 3.941 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)[C@@H]1C[C@H]1c1cccs1 ZINC000417322630 943514800 /nfs/dbraw/zinc/51/48/00/943514800.db2.gz WELVATJQXXMXGS-NRSFXHEJSA-N 2 2 356.539 3.888 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613937 943515779 /nfs/dbraw/zinc/51/57/79/943515779.db2.gz LGJOHZFFOGTTCR-LJQANCHMSA-N 2 2 351.494 3.756 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435613937 943515782 /nfs/dbraw/zinc/51/57/82/943515782.db2.gz LGJOHZFFOGTTCR-LJQANCHMSA-N 2 2 351.494 3.756 20 0 FHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000414748479 943530399 /nfs/dbraw/zinc/53/03/99/943530399.db2.gz IQDJHJBFMWAACR-CYBMUJFWSA-N 2 2 359.499 3.793 20 0 FHADLP Clc1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000423492226 943536521 /nfs/dbraw/zinc/53/65/21/943536521.db2.gz MGKDXGSVKPQYNB-BBRMVZONSA-N 2 2 373.722 3.522 20 0 FHADLP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528676 943537903 /nfs/dbraw/zinc/53/79/03/943537903.db2.gz NPQUILUWZHTGTR-PIPMEXSNSA-N 2 2 365.521 3.872 20 0 FHADLP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000515226433 943581654 /nfs/dbraw/zinc/58/16/54/943581654.db2.gz XLSYCEQYASSUDF-OAQYLSRUSA-N 2 2 350.466 3.641 20 0 FHADLP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3COCc4ccccc43)CC2)cc1 ZINC000417414988 943596270 /nfs/dbraw/zinc/59/62/70/943596270.db2.gz YRZLCXJTOLZSSL-JOCHJYFZSA-N 2 2 354.469 3.694 20 0 FHADLP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000504450896 943629382 /nfs/dbraw/zinc/62/93/82/943629382.db2.gz MUXFETYRTVICSW-GOSISDBHSA-N 2 2 371.529 3.694 20 0 FHADLP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000504450897 943629427 /nfs/dbraw/zinc/62/94/27/943629427.db2.gz MUXFETYRTVICSW-SFHVURJKSA-N 2 2 371.529 3.694 20 0 FHADLP Cc1cc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(F)c1 ZINC000424138154 943748324 /nfs/dbraw/zinc/74/83/24/943748324.db2.gz CXWUPZJHUJPTAY-UHFFFAOYSA-N 2 2 360.448 3.520 20 0 FHADLP C[C@H]1C[N@H+](Cc2oc3ccccc3c2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137323 943773140 /nfs/dbraw/zinc/77/31/40/943773140.db2.gz IKWFOKHPBIHUNH-DOTOQJQBSA-N 2 2 361.917 3.544 20 0 FHADLP C[C@H]1C[N@@H+](Cc2oc3ccccc3c2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000638137323 943773148 /nfs/dbraw/zinc/77/31/48/943773148.db2.gz IKWFOKHPBIHUNH-DOTOQJQBSA-N 2 2 361.917 3.544 20 0 FHADLP c1cn2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)nc2s1 ZINC000515351667 943802348 /nfs/dbraw/zinc/80/23/48/943802348.db2.gz PYZFJPQTEHBLSA-QGZVFWFLSA-N 2 2 352.507 3.683 20 0 FHADLP c1cn2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2s1 ZINC000515351667 943802354 /nfs/dbraw/zinc/80/23/54/943802354.db2.gz PYZFJPQTEHBLSA-QGZVFWFLSA-N 2 2 352.507 3.683 20 0 FHADLP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000584868296 943830902 /nfs/dbraw/zinc/83/09/02/943830902.db2.gz XQUREAWNLHLIPE-RXEWJAMOSA-N 2 2 356.482 3.718 20 0 FHADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000424322224 943843878 /nfs/dbraw/zinc/84/38/78/943843878.db2.gz VAVJWBREICEGOG-LSDHHAIUSA-N 2 2 352.906 3.500 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000424375148 943885832 /nfs/dbraw/zinc/88/58/32/943885832.db2.gz MJTGMGCLXDFOJV-ZWKOPEQDSA-N 2 2 350.356 3.810 20 0 FHADLP COc1ccc(-n2c(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)nc3ccccc32)cc1 ZINC000515486641 943933326 /nfs/dbraw/zinc/93/33/26/943933326.db2.gz BYIZKEJLIDAIDV-HXUWFJFHSA-N 2 2 364.493 3.512 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660304500 943935829 /nfs/dbraw/zinc/93/58/29/943935829.db2.gz FGUIHQMGYBMSGS-RDJZCZTQSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OC)c2Cl)[C@@H](C)C1 ZINC000660304500 943935834 /nfs/dbraw/zinc/93/58/34/943935834.db2.gz FGUIHQMGYBMSGS-RDJZCZTQSA-N 2 2 354.922 3.575 20 0 FHADLP CCCOc1c(Br)cc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000515556893 943993525 /nfs/dbraw/zinc/99/35/25/943993525.db2.gz PYLGIWNEXLHWPT-UHFFFAOYSA-N 2 2 373.335 3.630 20 0 FHADLP CCCOc1c(Br)cc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000515556893 943993536 /nfs/dbraw/zinc/99/35/36/943993536.db2.gz PYLGIWNEXLHWPT-UHFFFAOYSA-N 2 2 373.335 3.630 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000414877899 944002749 /nfs/dbraw/zinc/00/27/49/944002749.db2.gz GOCMVFRGQSNNIR-UPVQGACJSA-N 2 2 373.500 3.993 20 0 FHADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414801751 944024910 /nfs/dbraw/zinc/02/49/10/944024910.db2.gz URZXZBGFKKYTFG-CQSZACIVSA-N 2 2 354.317 3.646 20 0 FHADLP COC(=O)[C@@H](CC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1)c1ccccc1 ZINC000425472853 944042207 /nfs/dbraw/zinc/04/22/07/944042207.db2.gz IJRNIWXMGRVLRS-FQEVSTJZSA-N 2 2 368.477 3.580 20 0 FHADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414813626 944098517 /nfs/dbraw/zinc/09/85/17/944098517.db2.gz UIWCIAZBQYHTLC-UHFFFAOYSA-N 2 2 351.235 3.658 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC000418089428 944141982 /nfs/dbraw/zinc/14/19/82/944141982.db2.gz CHGJQVKEURCNMH-OAHLLOKOSA-N 2 2 351.466 3.690 20 0 FHADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)s1 ZINC000418089428 944141986 /nfs/dbraw/zinc/14/19/86/944141986.db2.gz CHGJQVKEURCNMH-OAHLLOKOSA-N 2 2 351.466 3.690 20 0 FHADLP c1cn(Cc2ccccc2)c(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)[nH+]1 ZINC000436274735 944171863 /nfs/dbraw/zinc/17/18/63/944171863.db2.gz MTOCQQVMMKUPKR-UHFFFAOYSA-N 2 2 363.490 3.715 20 0 FHADLP CC1CC[NH+](C2CCC([NH2+][C@H](c3nnc[nH]3)c3ccccc3)CC2)CC1 ZINC000278830636 944211578 /nfs/dbraw/zinc/21/15/78/944211578.db2.gz CNWZJWMZOQTNRN-MHJFOBGBSA-N 2 2 353.514 3.527 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000438992643 944239712 /nfs/dbraw/zinc/23/97/12/944239712.db2.gz SSSZRBQZYYGEKP-HNNXBMFYSA-N 2 2 356.470 3.592 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000364287684 944242982 /nfs/dbraw/zinc/24/29/82/944242982.db2.gz BPAKXMJDKGJTDA-MELADBBJSA-N 2 2 353.304 3.735 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000364287684 944242990 /nfs/dbraw/zinc/24/29/90/944242990.db2.gz BPAKXMJDKGJTDA-MELADBBJSA-N 2 2 353.304 3.735 20 0 FHADLP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000439078926 944310511 /nfs/dbraw/zinc/31/05/11/944310511.db2.gz PPVHKNBSWIJINC-HNNXBMFYSA-N 2 2 364.449 3.690 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CCC[N@@H+]1Cc1ccccc1 ZINC000398012925 944381889 /nfs/dbraw/zinc/38/18/89/944381889.db2.gz MTKAFEVSXITFAW-GOSISDBHSA-N 2 2 366.431 3.590 20 0 FHADLP C[C@]1(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000398012925 944381894 /nfs/dbraw/zinc/38/18/94/944381894.db2.gz MTKAFEVSXITFAW-GOSISDBHSA-N 2 2 366.431 3.590 20 0 FHADLP c1cncc(C2=CCC[NH+](CCC[N@@H+]3CCC=C(c4cccnc4)C3)C2)c1 ZINC000295889823 944403294 /nfs/dbraw/zinc/40/32/94/944403294.db2.gz HTDPQSIGIKLZQU-UHFFFAOYSA-N 2 2 360.505 3.745 20 0 FHADLP c1cncc(C2=CCC[NH+](CCC[N@H+]3CCC=C(c4cccnc4)C3)C2)c1 ZINC000295889823 944403302 /nfs/dbraw/zinc/40/33/02/944403302.db2.gz HTDPQSIGIKLZQU-UHFFFAOYSA-N 2 2 360.505 3.745 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1O ZINC000426409151 944718406 /nfs/dbraw/zinc/71/84/06/944718406.db2.gz GAWYZLLYPJQTHX-MRXNPFEDSA-N 2 2 351.450 3.697 20 0 FHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000531188795 944818619 /nfs/dbraw/zinc/81/86/19/944818619.db2.gz CMFIDQWMGXRSHV-NRFANRHFSA-N 2 2 374.488 3.647 20 0 FHADLP Cc1nnc([C@@H]2CC23CC[NH+](Cc2ccc(-n4cc[nH+]c4)cc2C)CC3)o1 ZINC000364474224 944838551 /nfs/dbraw/zinc/83/85/51/944838551.db2.gz XQHDPXQQHIGBET-IBGZPJMESA-N 2 2 363.465 3.642 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)CC1 ZINC000660697548 945401392 /nfs/dbraw/zinc/40/13/92/945401392.db2.gz HQKAYVTVPLSXGE-MRXNPFEDSA-N 2 2 372.475 3.925 20 0 FHADLP Brc1cccc2c(N3CC[C@@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000549524248 945579418 /nfs/dbraw/zinc/57/94/18/945579418.db2.gz IJKXWAUYZBQOKU-AWEZNQCLSA-N 2 2 360.299 3.919 20 0 FHADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000651691763 945701688 /nfs/dbraw/zinc/70/16/88/945701688.db2.gz GWHUNPOPNSTETN-GOSISDBHSA-N 2 2 372.484 3.845 20 0 FHADLP COc1cc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000651691763 945701692 /nfs/dbraw/zinc/70/16/92/945701692.db2.gz GWHUNPOPNSTETN-GOSISDBHSA-N 2 2 372.484 3.845 20 0 FHADLP COc1cc(F)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1OC ZINC000651692949 945702676 /nfs/dbraw/zinc/70/26/76/945702676.db2.gz XFPRKJKOIKFASH-UHFFFAOYSA-N 2 2 350.478 3.587 20 0 FHADLP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790514 945742991 /nfs/dbraw/zinc/74/29/91/945742991.db2.gz ONMCSRPGKRBAQN-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790514 945742998 /nfs/dbraw/zinc/74/29/98/945742998.db2.gz ONMCSRPGKRBAQN-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790514 945743001 /nfs/dbraw/zinc/74/30/01/945743001.db2.gz ONMCSRPGKRBAQN-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(Cl)c1OC ZINC000519790514 945743004 /nfs/dbraw/zinc/74/30/04/945743004.db2.gz ONMCSRPGKRBAQN-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP COC[C@@H](CC(C)(C)C)[NH2+]CC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000651716771 945756729 /nfs/dbraw/zinc/75/67/29/945756729.db2.gz HUIDYLAALUSMSE-UYAOXDASSA-N 2 2 362.558 3.927 20 0 FHADLP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000415149887 945787669 /nfs/dbraw/zinc/78/76/69/945787669.db2.gz OSUFVBPLWXKNSV-CVEARBPZSA-N 2 2 368.481 3.744 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@@H+]1C1CC1 ZINC000544374992 945884063 /nfs/dbraw/zinc/88/40/63/945884063.db2.gz JJUICLINKMKVTF-SWLSCSKDSA-N 2 2 362.315 3.688 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Br)cc23)C[N@H+]1C1CC1 ZINC000544374992 945884075 /nfs/dbraw/zinc/88/40/75/945884075.db2.gz JJUICLINKMKVTF-SWLSCSKDSA-N 2 2 362.315 3.688 20 0 FHADLP CC(C)c1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000301855317 946004702 /nfs/dbraw/zinc/00/47/02/946004702.db2.gz HYKIRPSHHXNEAB-OALUTQOASA-N 2 2 360.546 3.903 20 0 FHADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301903734 946031146 /nfs/dbraw/zinc/03/11/46/946031146.db2.gz PECVPFQOWPPGRH-MRXNPFEDSA-N 2 2 353.514 3.693 20 0 FHADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(c2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301903734 946031152 /nfs/dbraw/zinc/03/11/52/946031152.db2.gz PECVPFQOWPPGRH-MRXNPFEDSA-N 2 2 353.514 3.693 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2nc(N)c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301914577 946035432 /nfs/dbraw/zinc/03/54/32/946035432.db2.gz UXORBTFLOOWPGS-DYVFJYSZSA-N 2 2 353.495 3.769 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2nc(N)c3ccccc3[nH+]2)[C@H]1c1cccs1 ZINC000301914577 946035444 /nfs/dbraw/zinc/03/54/44/946035444.db2.gz UXORBTFLOOWPGS-DYVFJYSZSA-N 2 2 353.495 3.769 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444212876 946081409 /nfs/dbraw/zinc/08/14/09/946081409.db2.gz NQOJOCURGGFQSJ-QGZVFWFLSA-N 2 2 370.493 3.917 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444212876 946081420 /nfs/dbraw/zinc/08/14/20/946081420.db2.gz NQOJOCURGGFQSJ-QGZVFWFLSA-N 2 2 370.493 3.917 20 0 FHADLP c1csc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000045806774 946162256 /nfs/dbraw/zinc/16/22/56/946162256.db2.gz WHTKTONVXIRHQE-UHFFFAOYSA-N 2 2 360.527 3.886 20 0 FHADLP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(OC)c1 ZINC000661471526 946163001 /nfs/dbraw/zinc/16/30/01/946163001.db2.gz YBEJMDLEEKPXJQ-OAQYLSRUSA-N 2 2 351.450 3.667 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383609 946176980 /nfs/dbraw/zinc/17/69/80/946176980.db2.gz BGPWTGLHLBFOSR-KSSFIOAISA-N 2 2 363.427 3.542 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000544383609 946176986 /nfs/dbraw/zinc/17/69/86/946176986.db2.gz BGPWTGLHLBFOSR-KSSFIOAISA-N 2 2 363.427 3.542 20 0 FHADLP CCCC[C@H](CC)C[NH2+][C@@]12CC[C@@](NC(=O)Cn3cc[nH+]c3)(C1)CCC2 ZINC001271682461 946251289 /nfs/dbraw/zinc/25/12/89/946251289.db2.gz DHAZWNUOXYXPFZ-SESVDKBCSA-N 2 2 360.546 3.651 20 0 FHADLP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000661647569 946361385 /nfs/dbraw/zinc/36/13/85/946361385.db2.gz KQOJNQDSXZFKPD-HSZRJFAPSA-N 2 2 374.532 3.680 20 0 FHADLP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC000661647569 946361396 /nfs/dbraw/zinc/36/13/96/946361396.db2.gz KQOJNQDSXZFKPD-HSZRJFAPSA-N 2 2 374.532 3.680 20 0 FHADLP CC(C)c1nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C(C)(C)C)n1 ZINC000302897132 946373597 /nfs/dbraw/zinc/37/35/97/946373597.db2.gz PJNPEALAHXBOTB-UHFFFAOYSA-N 2 2 373.589 3.868 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664680 946393557 /nfs/dbraw/zinc/39/35/57/946393557.db2.gz CPBJVSVXTKYMBO-JTHBVZDNSA-N 2 2 361.489 3.779 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664680 946393563 /nfs/dbraw/zinc/39/35/63/946393563.db2.gz CPBJVSVXTKYMBO-JTHBVZDNSA-N 2 2 361.489 3.779 20 0 FHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500614 946680889 /nfs/dbraw/zinc/68/08/89/946680889.db2.gz PGFVBCXJCVBQGT-OAHLLOKOSA-N 2 2 371.916 3.824 20 0 FHADLP C[NH+]1CCC(n2ncc3cc(-c4ccc(Cn5cc[nH+]c5)cc4)cnc32)CC1 ZINC000623169908 946732192 /nfs/dbraw/zinc/73/21/92/946732192.db2.gz QUGLOLLQEATYOT-UHFFFAOYSA-N 2 2 372.476 3.610 20 0 FHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179100542 946736335 /nfs/dbraw/zinc/73/63/35/946736335.db2.gz UZGYSIZEROBCLL-KRWDZBQOSA-N 2 2 358.917 3.598 20 0 FHADLP c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000475224249 946746342 /nfs/dbraw/zinc/74/63/42/946746342.db2.gz MVIOSAYKRRMDNB-QFIPXVFZSA-N 2 2 360.505 3.543 20 0 FHADLP c1cn(Cc2ccccc2)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000475224249 946746350 /nfs/dbraw/zinc/74/63/50/946746350.db2.gz MVIOSAYKRRMDNB-QFIPXVFZSA-N 2 2 360.505 3.543 20 0 FHADLP CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000067500884 946750334 /nfs/dbraw/zinc/75/03/34/946750334.db2.gz BALIDGMNQIKCFU-AWEZNQCLSA-N 2 2 351.878 3.760 20 0 FHADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288828 946828202 /nfs/dbraw/zinc/82/82/02/946828202.db2.gz URQOMMPYHKEORU-SJLPKXTDSA-N 2 2 355.551 3.880 20 0 FHADLP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288828 946828211 /nfs/dbraw/zinc/82/82/11/946828211.db2.gz URQOMMPYHKEORU-SJLPKXTDSA-N 2 2 355.551 3.880 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599695 946882178 /nfs/dbraw/zinc/88/21/78/946882178.db2.gz ZFIDHRBMANRKNF-PGGWPXBNSA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182599695 946882193 /nfs/dbraw/zinc/88/21/93/946882193.db2.gz ZFIDHRBMANRKNF-PGGWPXBNSA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599695 946882204 /nfs/dbraw/zinc/88/22/04/946882204.db2.gz ZFIDHRBMANRKNF-PGGWPXBNSA-N 2 2 363.496 3.659 20 0 FHADLP CC[C@H](c1ccc(F)cc1F)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182599695 946882215 /nfs/dbraw/zinc/88/22/15/946882215.db2.gz ZFIDHRBMANRKNF-PGGWPXBNSA-N 2 2 363.496 3.659 20 0 FHADLP C[C@@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)CC1CCOCC1 ZINC000475331129 946892736 /nfs/dbraw/zinc/89/27/36/946892736.db2.gz OBTYTVLVSFQZOA-RWBZWWBESA-N 2 2 362.480 3.834 20 0 FHADLP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123885424 946915505 /nfs/dbraw/zinc/91/55/05/946915505.db2.gz SGHHZMAEBMYJML-PXNSSMCTSA-N 2 2 366.509 3.704 20 0 FHADLP c1cc(-c2n[nH]cc2C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000475346473 946927295 /nfs/dbraw/zinc/92/72/95/946927295.db2.gz GYHVLCVZIRJOMF-BGYRXZFFSA-N 2 2 364.518 3.702 20 0 FHADLP c1cc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000475346473 946927298 /nfs/dbraw/zinc/92/72/98/946927298.db2.gz GYHVLCVZIRJOMF-BGYRXZFFSA-N 2 2 364.518 3.702 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000475346473 946927300 /nfs/dbraw/zinc/92/73/00/946927300.db2.gz GYHVLCVZIRJOMF-BGYRXZFFSA-N 2 2 364.518 3.702 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000475346473 946927303 /nfs/dbraw/zinc/92/73/03/946927303.db2.gz GYHVLCVZIRJOMF-BGYRXZFFSA-N 2 2 364.518 3.702 20 0 FHADLP FC(F)(F)c1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444612686 947038010 /nfs/dbraw/zinc/03/80/10/947038010.db2.gz UTAPUFGCGYFAHN-UHFFFAOYSA-N 2 2 355.448 3.703 20 0 FHADLP Cc1cn2cc(NC(=O)N3CCC(C[NH+]4CCCCCC4)CC3)ccc2[nH+]1 ZINC000599405786 947342068 /nfs/dbraw/zinc/34/20/68/947342068.db2.gz QGKKKGUJQARERF-UHFFFAOYSA-N 2 2 369.513 3.763 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1OC ZINC000663346925 947814734 /nfs/dbraw/zinc/81/47/34/947814734.db2.gz XSMPBYVIYKNKFC-OAHLLOKOSA-N 2 2 352.906 3.569 20 0 FHADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1OC ZINC000663346925 947814738 /nfs/dbraw/zinc/81/47/38/947814738.db2.gz XSMPBYVIYKNKFC-OAHLLOKOSA-N 2 2 352.906 3.569 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001167821043 948073207 /nfs/dbraw/zinc/07/32/07/948073207.db2.gz ACHQNDHMXYRRCE-ZWKOTPCHSA-N 2 2 362.562 3.697 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001167821043 948073213 /nfs/dbraw/zinc/07/32/13/948073213.db2.gz ACHQNDHMXYRRCE-ZWKOTPCHSA-N 2 2 362.562 3.697 20 0 FHADLP Cc1ccc(Br)cc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511993508 948094757 /nfs/dbraw/zinc/09/47/57/948094757.db2.gz XSWIBYQBLKLGCP-UHFFFAOYSA-N 2 2 354.317 3.565 20 0 FHADLP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OCc1ccc(Cl)cc1 ZINC000663498661 948115156 /nfs/dbraw/zinc/11/51/56/948115156.db2.gz SKMBMDYRUKHVFU-UHFFFAOYSA-N 2 2 372.896 3.769 20 0 FHADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000432359133 948210079 /nfs/dbraw/zinc/21/00/79/948210079.db2.gz RSTRGEUEXNOOGI-CYBMUJFWSA-N 2 2 364.839 3.949 20 0 FHADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CCCO1 ZINC000432359133 948210086 /nfs/dbraw/zinc/21/00/86/948210086.db2.gz RSTRGEUEXNOOGI-CYBMUJFWSA-N 2 2 364.839 3.949 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Br)s1 ZINC000432371490 948247898 /nfs/dbraw/zinc/24/78/98/948247898.db2.gz ZNJXDZUUBQSTHL-STQMWFEESA-N 2 2 361.349 3.662 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Br)s1 ZINC000432371490 948247902 /nfs/dbraw/zinc/24/79/02/948247902.db2.gz ZNJXDZUUBQSTHL-STQMWFEESA-N 2 2 361.349 3.662 20 0 FHADLP CC[C@](C)(COc1ncccc1Cl)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512040759 948270359 /nfs/dbraw/zinc/27/03/59/948270359.db2.gz RAHCMAIEXUWTFI-QGZVFWFLSA-N 2 2 368.934 3.590 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)s1 ZINC000512069539 948352187 /nfs/dbraw/zinc/35/21/87/948352187.db2.gz APPSDUBMLTYDRI-CQSZACIVSA-N 2 2 364.946 3.617 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432422039 948385467 /nfs/dbraw/zinc/38/54/67/948385467.db2.gz CFFJUFMFKVSOSC-GJZGRUSLSA-N 2 2 355.320 3.601 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1Br ZINC000432422039 948385470 /nfs/dbraw/zinc/38/54/70/948385470.db2.gz CFFJUFMFKVSOSC-GJZGRUSLSA-N 2 2 355.320 3.601 20 0 FHADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176093 948656668 /nfs/dbraw/zinc/65/66/68/948656668.db2.gz BOOXKSYBVHHUIL-RBUKOAKNSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc3c2OCCCO3)C1 ZINC000512176093 948656673 /nfs/dbraw/zinc/65/66/73/948656673.db2.gz BOOXKSYBVHHUIL-RBUKOAKNSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176093 948656678 /nfs/dbraw/zinc/65/66/78/948656678.db2.gz BOOXKSYBVHHUIL-RBUKOAKNSA-N 2 2 358.526 3.934 20 0 FHADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000512176093 948656681 /nfs/dbraw/zinc/65/66/81/948656681.db2.gz BOOXKSYBVHHUIL-RBUKOAKNSA-N 2 2 358.526 3.934 20 0 FHADLP Fc1cccc(CN2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)c1 ZINC000162832822 948799998 /nfs/dbraw/zinc/79/99/98/948799998.db2.gz OMRILVFFIQHALK-UHFFFAOYSA-N 2 2 356.489 3.667 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cc[nH]c32)[C@@H]1c1cnn(C)c1 ZINC000328620877 529046979 /nfs/dbraw/zinc/04/69/79/529046979.db2.gz AEJDNXWDUWATIG-SIKLNZKXSA-N 2 2 365.525 3.806 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc3cc[nH]c32)[C@@H]1c1cnn(C)c1 ZINC000328620877 529046985 /nfs/dbraw/zinc/04/69/85/529046985.db2.gz AEJDNXWDUWATIG-SIKLNZKXSA-N 2 2 365.525 3.806 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc3cc[nH]c32)[C@@H]1c1cnn(C)c1 ZINC000328620877 529046989 /nfs/dbraw/zinc/04/69/89/529046989.db2.gz AEJDNXWDUWATIG-SIKLNZKXSA-N 2 2 365.525 3.806 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc3cc[nH]c32)[C@@H]1c1cnn(C)c1 ZINC000328620877 529046999 /nfs/dbraw/zinc/04/69/99/529046999.db2.gz AEJDNXWDUWATIG-SIKLNZKXSA-N 2 2 365.525 3.806 20 0 FHADLP CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434881 568004419 /nfs/dbraw/zinc/00/44/19/568004419.db2.gz DFYYCVJOKCLCIR-AEFFLSMTSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434881 568004420 /nfs/dbraw/zinc/00/44/20/568004420.db2.gz DFYYCVJOKCLCIR-AEFFLSMTSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)c1noc([C@H](C)[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000603393351 568095186 /nfs/dbraw/zinc/09/51/86/568095186.db2.gz FESWEHCMAWEQCF-HNNXBMFYSA-N 2 2 351.454 3.624 20 0 FHADLP FC(F)(F)c1ccc(C[NH+]2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000636913168 568192640 /nfs/dbraw/zinc/19/26/40/568192640.db2.gz AQFBSAIVNJJTMN-UHFFFAOYSA-N 2 2 360.383 3.904 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H](c4ccccc4)C[C@@H]3C)c2cc1C ZINC000604392976 568283022 /nfs/dbraw/zinc/28/30/22/568283022.db2.gz PGSDYJSXSOKWIP-CEWLAPEOSA-N 2 2 363.505 3.892 20 0 FHADLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H](c4ccccc4)C[C@@H]3C)c2cc1C ZINC000604392976 568283023 /nfs/dbraw/zinc/28/30/23/568283023.db2.gz PGSDYJSXSOKWIP-CEWLAPEOSA-N 2 2 363.505 3.892 20 0 FHADLP Oc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000643251090 568317785 /nfs/dbraw/zinc/31/77/85/568317785.db2.gz BDOGTQVSMKHGIO-JOCHJYFZSA-N 2 2 352.478 3.562 20 0 FHADLP Oc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000643251090 568317786 /nfs/dbraw/zinc/31/77/86/568317786.db2.gz BDOGTQVSMKHGIO-JOCHJYFZSA-N 2 2 352.478 3.562 20 0 FHADLP Clc1ccsc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390843085 568319748 /nfs/dbraw/zinc/31/97/48/568319748.db2.gz FAFBJNJTTUOETF-MRXNPFEDSA-N 2 2 350.915 3.782 20 0 FHADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251877 568352539 /nfs/dbraw/zinc/35/25/39/568352539.db2.gz PAMJTUINODKDKC-CRAIPNDOSA-N 2 2 356.432 3.682 20 0 FHADLP C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000643251877 568352540 /nfs/dbraw/zinc/35/25/40/568352540.db2.gz PAMJTUINODKDKC-CRAIPNDOSA-N 2 2 356.432 3.682 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365242398 568353676 /nfs/dbraw/zinc/35/36/76/568353676.db2.gz UPSDEUKEVVJLJK-DLBZAZTESA-N 2 2 352.438 3.622 20 0 FHADLP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365242398 568353677 /nfs/dbraw/zinc/35/36/77/568353677.db2.gz UPSDEUKEVVJLJK-DLBZAZTESA-N 2 2 352.438 3.622 20 0 FHADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390872716 568401829 /nfs/dbraw/zinc/40/18/29/568401829.db2.gz RLRKFGAVDUUAHP-NRFANRHFSA-N 2 2 353.510 3.789 20 0 FHADLP COc1cc(C)nc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000390872716 568401830 /nfs/dbraw/zinc/40/18/30/568401830.db2.gz RLRKFGAVDUUAHP-NRFANRHFSA-N 2 2 353.510 3.789 20 0 FHADLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000365294197 568436180 /nfs/dbraw/zinc/43/61/80/568436180.db2.gz WJOPJDHJFHSXJO-KRWDZBQOSA-N 2 2 354.454 3.822 20 0 FHADLP Cc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000605124058 568578963 /nfs/dbraw/zinc/57/89/63/568578963.db2.gz XNEIUEWHCXIENL-JOCHJYFZSA-N 2 2 374.488 3.748 20 0 FHADLP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000365441701 568680272 /nfs/dbraw/zinc/68/02/72/568680272.db2.gz YLOZWWYLTPAECF-HZPDHXFCSA-N 2 2 366.465 3.566 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000182055159 568712000 /nfs/dbraw/zinc/71/20/00/568712000.db2.gz AIGSVHWAPXJQNK-FIRPJDEBSA-N 2 2 355.526 3.544 20 0 FHADLP Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH+]c1C ZINC001164673067 719504364 /nfs/dbraw/zinc/50/43/64/719504364.db2.gz MUUQZCABQJIRHG-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH+]c1C ZINC001164673067 719504375 /nfs/dbraw/zinc/50/43/75/719504375.db2.gz MUUQZCABQJIRHG-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP c1csc(C[N@@H+]2CCOC3(CCN(c4ccc5c([nH+]4)CCC5)CC3)C2)c1 ZINC001164696054 719890603 /nfs/dbraw/zinc/89/06/03/719890603.db2.gz VQGCWNRZYOONRL-UHFFFAOYSA-N 2 2 369.534 3.503 20 0 FHADLP c1csc(C[N@H+]2CCOC3(CCN(c4ccc5c([nH+]4)CCC5)CC3)C2)c1 ZINC001164696054 719890607 /nfs/dbraw/zinc/89/06/07/719890607.db2.gz VQGCWNRZYOONRL-UHFFFAOYSA-N 2 2 369.534 3.503 20 0 FHADLP Cc1cc2ccccc2c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)[nH+]1 ZINC001164787191 721418917 /nfs/dbraw/zinc/41/89/17/721418917.db2.gz POQINJGVAJPNTN-IRXDYDNUSA-N 2 2 350.491 3.568 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165030203 721824265 /nfs/dbraw/zinc/82/42/65/721824265.db2.gz YTZTWQCZNHALJG-VDGAXYAQSA-N 2 2 368.550 3.935 20 0 FHADLP CSc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165030203 721824267 /nfs/dbraw/zinc/82/42/67/721824267.db2.gz YTZTWQCZNHALJG-VDGAXYAQSA-N 2 2 368.550 3.935 20 0 FHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cc(C)cc2C)CC1 ZINC001165020502 721840749 /nfs/dbraw/zinc/84/07/49/721840749.db2.gz JVQSTFZIFKGMIS-UHFFFAOYSA-N 2 2 369.509 3.816 20 0 FHADLP CCc1nc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC001164996223 722208799 /nfs/dbraw/zinc/20/87/99/722208799.db2.gz RTOXLHSJXNQGDQ-NRFANRHFSA-N 2 2 354.473 3.731 20 0 FHADLP CCc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC001164996223 722208802 /nfs/dbraw/zinc/20/88/02/722208802.db2.gz RTOXLHSJXNQGDQ-NRFANRHFSA-N 2 2 354.473 3.731 20 0 FHADLP Clc1ccc(-c2nc3sccn3c2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000582964969 936326460 /nfs/dbraw/zinc/32/64/60/936326460.db2.gz UCCQBIMEARMRFM-IBGZPJMESA-N 2 2 372.925 3.902 20 0 FHADLP Clc1ccc(-c2nc3sccn3c2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000582964969 936326465 /nfs/dbraw/zinc/32/64/65/936326465.db2.gz UCCQBIMEARMRFM-IBGZPJMESA-N 2 2 372.925 3.902 20 0 FHADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183008 936331293 /nfs/dbraw/zinc/33/12/93/936331293.db2.gz NSUHNAUBDPPYBW-XJKSGUPXSA-N 2 2 362.411 3.929 20 0 FHADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183008 936331297 /nfs/dbraw/zinc/33/12/97/936331297.db2.gz NSUHNAUBDPPYBW-XJKSGUPXSA-N 2 2 362.411 3.929 20 0 FHADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183008 936331301 /nfs/dbraw/zinc/33/13/01/936331301.db2.gz NSUHNAUBDPPYBW-XJKSGUPXSA-N 2 2 362.411 3.929 20 0 FHADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2OCC(F)(F)F)[C@@H](C)C1 ZINC000628183008 936331307 /nfs/dbraw/zinc/33/13/07/936331307.db2.gz NSUHNAUBDPPYBW-XJKSGUPXSA-N 2 2 362.411 3.929 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000431519684 936390713 /nfs/dbraw/zinc/39/07/13/936390713.db2.gz OMPPDFHDQZDCKV-RDJZCZTQSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[C@@H]3CCCC[NH+]3C)n2)C1 ZINC000431519684 936390718 /nfs/dbraw/zinc/39/07/18/936390718.db2.gz OMPPDFHDQZDCKV-RDJZCZTQSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)n2)C1 ZINC000431519684 936390724 /nfs/dbraw/zinc/39/07/24/936390724.db2.gz OMPPDFHDQZDCKV-RDJZCZTQSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)n2)C1 ZINC000431519684 936390729 /nfs/dbraw/zinc/39/07/29/936390729.db2.gz OMPPDFHDQZDCKV-RDJZCZTQSA-N 2 2 364.559 3.578 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000437142522 945064035 /nfs/dbraw/zinc/06/40/35/945064035.db2.gz GSEHDRBBPWJHOQ-FPOVZHCZSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000437142522 945064047 /nfs/dbraw/zinc/06/40/47/945064047.db2.gz GSEHDRBBPWJHOQ-FPOVZHCZSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000437142522 945064060 /nfs/dbraw/zinc/06/40/60/945064060.db2.gz GSEHDRBBPWJHOQ-FPOVZHCZSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000437142522 945064022 /nfs/dbraw/zinc/06/40/22/945064022.db2.gz GSEHDRBBPWJHOQ-FPOVZHCZSA-N 2 2 350.510 3.766 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000583051351 937079987 /nfs/dbraw/zinc/07/99/87/937079987.db2.gz KTVGZRTWXZHVDM-ZDUSSCGKSA-N 2 2 350.260 3.560 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000583051351 937079990 /nfs/dbraw/zinc/07/99/90/937079990.db2.gz KTVGZRTWXZHVDM-ZDUSSCGKSA-N 2 2 350.260 3.560 20 0 FHADLP COc1ccsc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000274627299 927279334 /nfs/dbraw/zinc/27/93/34/927279334.db2.gz YGFAAOGEMGOVTQ-CQSZACIVSA-N 2 2 360.527 3.855 20 0 FHADLP COc1ccsc1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000274627298 927280144 /nfs/dbraw/zinc/28/01/44/927280144.db2.gz YGFAAOGEMGOVTQ-AWEZNQCLSA-N 2 2 360.527 3.855 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000579773953 927376576 /nfs/dbraw/zinc/37/65/76/927376576.db2.gz WQUXPBBMQHHBEL-HRAATJIYSA-N 2 2 364.493 3.670 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000579773957 927376944 /nfs/dbraw/zinc/37/69/44/927376944.db2.gz WQUXPBBMQHHBEL-IERDGZPVSA-N 2 2 364.493 3.670 20 0 FHADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000394606939 928359794 /nfs/dbraw/zinc/35/97/94/928359794.db2.gz GFIQGLNPMMJAAI-JTQLQIEISA-N 2 2 373.092 3.586 20 0 FHADLP Cc1c[nH+]c2cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c3ccccc3)ccn12 ZINC000583211822 937242992 /nfs/dbraw/zinc/24/29/92/937242992.db2.gz FAPRDHQHWARSTQ-MRXNPFEDSA-N 2 2 350.466 3.502 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168927 928466427 /nfs/dbraw/zinc/46/64/27/928466427.db2.gz JSWIXPUZXZMPSA-XLIONFOSSA-N 2 2 368.525 3.665 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168927 928466432 /nfs/dbraw/zinc/46/64/32/928466432.db2.gz JSWIXPUZXZMPSA-XLIONFOSSA-N 2 2 368.525 3.665 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170550 928481025 /nfs/dbraw/zinc/48/10/25/928481025.db2.gz RTSNELUUIUTJLG-WDSOQIARSA-N 2 2 354.498 3.635 20 0 FHADLP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1 ZINC000471170550 928481033 /nfs/dbraw/zinc/48/10/33/928481033.db2.gz RTSNELUUIUTJLG-WDSOQIARSA-N 2 2 354.498 3.635 20 0 FHADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)[C@H](C)C2 ZINC000180159405 929408841 /nfs/dbraw/zinc/40/88/41/929408841.db2.gz OAURHUDFWQEULX-JPYJTQIMSA-N 2 2 350.506 3.850 20 0 FHADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225168 929423677 /nfs/dbraw/zinc/42/36/77/929423677.db2.gz OTMFFBIPLRFGFV-AWEZNQCLSA-N 2 2 362.315 3.771 20 0 FHADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225168 929423685 /nfs/dbraw/zinc/42/36/85/929423685.db2.gz OTMFFBIPLRFGFV-AWEZNQCLSA-N 2 2 362.315 3.771 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225168 929423688 /nfs/dbraw/zinc/42/36/88/929423688.db2.gz OTMFFBIPLRFGFV-AWEZNQCLSA-N 2 2 362.315 3.771 20 0 FHADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)c3cccnc23)C1 ZINC000180225168 929423696 /nfs/dbraw/zinc/42/36/96/929423696.db2.gz OTMFFBIPLRFGFV-AWEZNQCLSA-N 2 2 362.315 3.771 20 0 FHADLP Cn1cc([C@H]([NH2+]CCCCNc2cccc[nH+]2)c2cccc(F)c2)cn1 ZINC000180414952 929503637 /nfs/dbraw/zinc/50/36/37/929503637.db2.gz RLVCYYHLVHOCTQ-HXUWFJFHSA-N 2 2 353.445 3.526 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174559 929653353 /nfs/dbraw/zinc/65/33/53/929653353.db2.gz AUNRTUSLYHAVPB-NWDGAFQWSA-N 2 2 361.711 3.541 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174559 929653355 /nfs/dbraw/zinc/65/33/55/929653355.db2.gz AUNRTUSLYHAVPB-NWDGAFQWSA-N 2 2 361.711 3.541 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174561 929653380 /nfs/dbraw/zinc/65/33/80/929653380.db2.gz AUNRTUSLYHAVPB-RYUDHWBXSA-N 2 2 361.711 3.541 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000070174561 929653385 /nfs/dbraw/zinc/65/33/85/929653385.db2.gz AUNRTUSLYHAVPB-RYUDHWBXSA-N 2 2 361.711 3.541 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)sc1Br ZINC000657752226 937349938 /nfs/dbraw/zinc/34/99/38/937349938.db2.gz NQWMTLABYOQRGP-TZMCWYRMSA-N 2 2 373.360 3.723 20 0 FHADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000657752312 937351126 /nfs/dbraw/zinc/35/11/26/937351126.db2.gz YPJLAFCIVIASPO-GOSISDBHSA-N 2 2 358.457 3.737 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1NC(C)=O ZINC000162900782 937358356 /nfs/dbraw/zinc/35/83/56/937358356.db2.gz VFZNARPQIPJJBB-OAHLLOKOSA-N 2 2 356.470 3.592 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010287 929940622 /nfs/dbraw/zinc/94/06/22/929940622.db2.gz NTURYOJABIKKJN-ZWKOTPCHSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010287 929940629 /nfs/dbraw/zinc/94/06/29/929940629.db2.gz NTURYOJABIKKJN-ZWKOTPCHSA-N 2 2 366.509 3.653 20 0 FHADLP CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372121 930178730 /nfs/dbraw/zinc/17/87/30/930178730.db2.gz ZMVGPNYCSASPDX-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372121 930178734 /nfs/dbraw/zinc/17/87/34/930178734.db2.gz ZMVGPNYCSASPDX-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C)c(C(=O)OC)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372121 930178742 /nfs/dbraw/zinc/17/87/42/930178742.db2.gz ZMVGPNYCSASPDX-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP CC[NH+](Cc1cc(C)c(C(=O)OC)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372121 930178746 /nfs/dbraw/zinc/17/87/46/930178746.db2.gz ZMVGPNYCSASPDX-LJQANCHMSA-N 2 2 370.493 3.719 20 0 FHADLP COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001167350586 930224563 /nfs/dbraw/zinc/22/45/63/930224563.db2.gz LCKHBBRBQQTUMP-UHFFFAOYSA-N 2 2 364.489 3.975 20 0 FHADLP COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC001167350586 930224569 /nfs/dbraw/zinc/22/45/69/930224569.db2.gz LCKHBBRBQQTUMP-UHFFFAOYSA-N 2 2 364.489 3.975 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000124225924 930301223 /nfs/dbraw/zinc/30/12/23/930301223.db2.gz LCGCECQPSQHHLE-HXUWFJFHSA-N 2 2 366.440 3.724 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000124225924 930301229 /nfs/dbraw/zinc/30/12/29/930301229.db2.gz LCGCECQPSQHHLE-HXUWFJFHSA-N 2 2 366.440 3.724 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325346 930505361 /nfs/dbraw/zinc/50/53/61/930505361.db2.gz XGTOYXAWOYDWSX-RTWAWAEBSA-N 2 2 354.469 3.646 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325346 930505364 /nfs/dbraw/zinc/50/53/64/930505364.db2.gz XGTOYXAWOYDWSX-RTWAWAEBSA-N 2 2 354.469 3.646 20 0 FHADLP OC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325345 930505516 /nfs/dbraw/zinc/50/55/16/930505516.db2.gz XGTOYXAWOYDWSX-NHCUHLMSSA-N 2 2 354.469 3.646 20 0 FHADLP OC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000580325345 930505522 /nfs/dbraw/zinc/50/55/22/930505522.db2.gz XGTOYXAWOYDWSX-NHCUHLMSSA-N 2 2 354.469 3.646 20 0 FHADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335831 930519613 /nfs/dbraw/zinc/51/96/13/930519613.db2.gz MOCPNUAZUOJDFS-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335831 930519622 /nfs/dbraw/zinc/51/96/22/930519622.db2.gz MOCPNUAZUOJDFS-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335831 930519628 /nfs/dbraw/zinc/51/96/28/930519628.db2.gz MOCPNUAZUOJDFS-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Br)c4cccnc34)C2)C1 ZINC000580335831 930519632 /nfs/dbraw/zinc/51/96/32/930519632.db2.gz MOCPNUAZUOJDFS-LJQANCHMSA-N 2 2 374.326 3.915 20 0 FHADLP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000580564790 930861017 /nfs/dbraw/zinc/86/10/17/930861017.db2.gz KDKWHBCDKUMGTF-HXUWFJFHSA-N 2 2 373.541 3.932 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000656254181 930870691 /nfs/dbraw/zinc/87/06/91/930870691.db2.gz CSLLKBBQKSHGBR-SFHVURJKSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000656254181 930870693 /nfs/dbraw/zinc/87/06/93/930870693.db2.gz CSLLKBBQKSHGBR-SFHVURJKSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000656254181 930870695 /nfs/dbraw/zinc/87/06/95/930870695.db2.gz CSLLKBBQKSHGBR-SFHVURJKSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000656254181 930870698 /nfs/dbraw/zinc/87/06/98/930870698.db2.gz CSLLKBBQKSHGBR-SFHVURJKSA-N 2 2 372.944 3.998 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000656256711 930896482 /nfs/dbraw/zinc/89/64/82/930896482.db2.gz YHEWJLKXMOHJID-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000656256711 930896484 /nfs/dbraw/zinc/89/64/84/930896484.db2.gz YHEWJLKXMOHJID-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000656256711 930896485 /nfs/dbraw/zinc/89/64/85/930896485.db2.gz YHEWJLKXMOHJID-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP Cc1nn(-c2ccc(C)cc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000656256711 930896492 /nfs/dbraw/zinc/89/64/92/930896492.db2.gz YHEWJLKXMOHJID-HXUWFJFHSA-N 2 2 352.526 3.653 20 0 FHADLP c1ccc(COc2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)nc1 ZINC000430558042 931840183 /nfs/dbraw/zinc/84/01/83/931840183.db2.gz PJTCHCCBENWWDM-UHFFFAOYSA-N 2 2 351.494 3.625 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000510388692 931851971 /nfs/dbraw/zinc/85/19/71/931851971.db2.gz KWJDCRLGYKVUHA-QFIPXVFZSA-N 2 2 374.488 3.748 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598004 932028910 /nfs/dbraw/zinc/02/89/10/932028910.db2.gz NDUOBTQDLCPJIY-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000430598004 932028918 /nfs/dbraw/zinc/02/89/18/932028918.db2.gz NDUOBTQDLCPJIY-TZMCWYRMSA-N 2 2 364.287 3.663 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000656622443 932204146 /nfs/dbraw/zinc/20/41/46/932204146.db2.gz AOTICCRQJULYTF-UHFFFAOYSA-N 2 2 364.493 3.649 20 0 FHADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000656622443 932204150 /nfs/dbraw/zinc/20/41/50/932204150.db2.gz AOTICCRQJULYTF-UHFFFAOYSA-N 2 2 364.493 3.649 20 0 FHADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430614033 932263892 /nfs/dbraw/zinc/26/38/92/932263892.db2.gz XLPCLGVTUXZJQU-KRWDZBQOSA-N 2 2 353.466 3.621 20 0 FHADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000430614033 932263901 /nfs/dbraw/zinc/26/39/01/932263901.db2.gz XLPCLGVTUXZJQU-KRWDZBQOSA-N 2 2 353.466 3.621 20 0 FHADLP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090184898 932277383 /nfs/dbraw/zinc/27/73/83/932277383.db2.gz MWHBCBAQRPHFMN-JOCHJYFZSA-N 2 2 365.521 3.830 20 0 FHADLP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000090184898 932277387 /nfs/dbraw/zinc/27/73/87/932277387.db2.gz MWHBCBAQRPHFMN-JOCHJYFZSA-N 2 2 365.521 3.830 20 0 FHADLP CCOc1ccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000656770571 932405779 /nfs/dbraw/zinc/40/57/79/932405779.db2.gz HLMYBZAGOWJOKM-LJQANCHMSA-N 2 2 354.498 3.541 20 0 FHADLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3ncccc3c2)cc1 ZINC000656789985 932422365 /nfs/dbraw/zinc/42/23/65/932422365.db2.gz FTGOBGFEACQOAO-GMAHTHKFSA-N 2 2 361.489 3.869 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336197 933011536 /nfs/dbraw/zinc/01/15/36/933011536.db2.gz ABUYYTJBHFMPRO-ZWKOTPCHSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)c(C)c1 ZINC000548336197 933011541 /nfs/dbraw/zinc/01/15/41/933011541.db2.gz ABUYYTJBHFMPRO-ZWKOTPCHSA-N 2 2 366.509 3.653 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1nc2ccccc2n1C ZINC000091319404 933810856 /nfs/dbraw/zinc/81/08/56/933810856.db2.gz SBLKKFABFISLCP-QUCCMNQESA-N 2 2 362.521 3.789 20 0 FHADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1nc2ccccc2n1C ZINC000091319404 933810863 /nfs/dbraw/zinc/81/08/63/933810863.db2.gz SBLKKFABFISLCP-QUCCMNQESA-N 2 2 362.521 3.789 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000510929981 934178626 /nfs/dbraw/zinc/17/86/26/934178626.db2.gz PVXFQIJATDHVHW-RJGXRXQPSA-N 2 2 350.506 3.813 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000510929981 934178631 /nfs/dbraw/zinc/17/86/31/934178631.db2.gz PVXFQIJATDHVHW-RJGXRXQPSA-N 2 2 350.506 3.813 20 0 FHADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000510939019 934201526 /nfs/dbraw/zinc/20/15/26/934201526.db2.gz MQDIYCMNVGEDJM-UHFFFAOYSA-N 2 2 360.417 3.932 20 0 FHADLP COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000610908742 934612759 /nfs/dbraw/zinc/61/27/59/934612759.db2.gz ARRGEKOVURBSNI-HXUWFJFHSA-N 2 2 363.461 3.902 20 0 FHADLP C[C@@H]([NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1(Br)CC1 ZINC000926332677 934836485 /nfs/dbraw/zinc/83/64/85/934836485.db2.gz XTYICCVHBXDFGP-QFWMXSHPSA-N 2 2 369.269 3.697 20 0 FHADLP Cc1csc(N2CCC([NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)CC2)n1 ZINC000151670252 934850893 /nfs/dbraw/zinc/85/08/93/934850893.db2.gz FOYVNTYSTRWBKC-MRXNPFEDSA-N 2 2 367.522 3.957 20 0 FHADLP Cc1ncsc1-c1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000657295613 934997251 /nfs/dbraw/zinc/99/72/51/934997251.db2.gz VHXAEALCDVAJJQ-HZPDHXFCSA-N 2 2 359.539 3.707 20 0 FHADLP Cc1ncsc1-c1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000657295611 934997583 /nfs/dbraw/zinc/99/75/83/934997583.db2.gz VHXAEALCDVAJJQ-HOTGVXAUSA-N 2 2 359.539 3.707 20 0 FHADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657313202 935115670 /nfs/dbraw/zinc/11/56/70/935115670.db2.gz PSHXAEILLBBANA-QZTJIDSGSA-N 2 2 367.541 3.771 20 0 FHADLP Cc1ccc([C@@H](CNCc2ccnn2-c2cc[nH+]cc2)[NH+]2CCCC2)cc1 ZINC000657338618 935272466 /nfs/dbraw/zinc/27/24/66/935272466.db2.gz QZXYFRLEZURBIM-JOCHJYFZSA-N 2 2 361.493 3.502 20 0 FHADLP C[N@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985042 945092880 /nfs/dbraw/zinc/09/28/80/945092880.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 3 2 367.581 3.988 20 0 FHADLP C[N@@H+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167985042 945092888 /nfs/dbraw/zinc/09/28/88/945092888.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 3 2 367.581 3.988 20 0 FHADLP C[NH+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167985042 945092896 /nfs/dbraw/zinc/09/28/96/945092896.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 3 2 367.581 3.988 20 0 FHADLP C[NH+](C1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167985042 945092903 /nfs/dbraw/zinc/09/29/03/945092903.db2.gz SYXHUVFEHLEJRU-VSGJHWFKSA-N 3 2 367.581 3.988 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cnn(Cc2ccccc2)c1 ZINC000152257126 935346108 /nfs/dbraw/zinc/34/61/08/935346108.db2.gz UIBOWFPTRSKPJR-GOSISDBHSA-N 2 2 357.461 3.968 20 0 FHADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657365953 935389062 /nfs/dbraw/zinc/38/90/62/935389062.db2.gz LCGDYRVOZNHSRV-CQSZACIVSA-N 2 2 366.431 3.754 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657364848 935390323 /nfs/dbraw/zinc/39/03/23/935390323.db2.gz ARACIJQYPSZARY-AWEZNQCLSA-N 2 2 366.431 3.754 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123961 945100982 /nfs/dbraw/zinc/10/09/82/945100982.db2.gz MIIKSVDEFMWZTO-UYAOXDASSA-N 2 2 370.468 3.597 20 0 FHADLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000427123961 945100991 /nfs/dbraw/zinc/10/09/91/945100991.db2.gz MIIKSVDEFMWZTO-UYAOXDASSA-N 2 2 370.468 3.597 20 0 FHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccccc1)C2 ZINC000582330241 935533614 /nfs/dbraw/zinc/53/36/14/935533614.db2.gz IXHKGHMOAHPIHG-LJQANCHMSA-N 2 2 369.472 3.910 20 0 FHADLP CC(C)Sc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000511112580 935627806 /nfs/dbraw/zinc/62/78/06/935627806.db2.gz WFINILFFPFGZMC-WCRBZPEASA-N 2 2 373.610 3.930 20 0 FHADLP CC(C)Sc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000511112580 935627807 /nfs/dbraw/zinc/62/78/07/935627807.db2.gz WFINILFFPFGZMC-WCRBZPEASA-N 2 2 373.610 3.930 20 0 FHADLP COc1cc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000582453665 935730636 /nfs/dbraw/zinc/73/06/36/935730636.db2.gz UTONOYISHDOANT-UHFFFAOYSA-N 2 2 368.477 3.520 20 0 FHADLP COc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc2c1OCO2 ZINC000582453665 935730639 /nfs/dbraw/zinc/73/06/39/935730639.db2.gz UTONOYISHDOANT-UHFFFAOYSA-N 2 2 368.477 3.520 20 0 FHADLP C[C@@H](CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000582489080 935770835 /nfs/dbraw/zinc/77/08/35/935770835.db2.gz DBUIIQLIAVXMKC-SFHVURJKSA-N 2 2 368.525 3.915 20 0 FHADLP C[C@@H](CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)n1cc[nH+]c1 ZINC000582489080 935770836 /nfs/dbraw/zinc/77/08/36/935770836.db2.gz DBUIIQLIAVXMKC-SFHVURJKSA-N 2 2 368.525 3.915 20 0 FHADLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000582489417 935771818 /nfs/dbraw/zinc/77/18/18/935771818.db2.gz CDQVTBWJZFLUMY-ZHRRBRCNSA-N 2 2 374.475 3.683 20 0 FHADLP COCc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000158417639 935783104 /nfs/dbraw/zinc/78/31/04/935783104.db2.gz XKCFYXAKCSDHSY-INIZCTEOSA-N 2 2 351.450 3.878 20 0 FHADLP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152829685 935869350 /nfs/dbraw/zinc/86/93/50/935869350.db2.gz CSULSAGAFSMHAL-HXUWFJFHSA-N 2 2 353.535 3.915 20 0 FHADLP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1F ZINC000375724672 935897566 /nfs/dbraw/zinc/89/75/66/935897566.db2.gz MNNPKSFNFFJIHN-MRXNPFEDSA-N 2 2 357.473 3.935 20 0 FHADLP C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582683703 935938370 /nfs/dbraw/zinc/93/83/70/935938370.db2.gz FIQCVKKZFOYKME-JOCHJYFZSA-N 2 2 372.940 3.840 20 0 FHADLP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000582683703 935938373 /nfs/dbraw/zinc/93/83/73/935938373.db2.gz FIQCVKKZFOYKME-JOCHJYFZSA-N 2 2 372.940 3.840 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000106215205 945138588 /nfs/dbraw/zinc/13/85/88/945138588.db2.gz UCBRRUQKGOBZIW-DOTOQJQBSA-N 2 2 358.461 3.557 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000106215205 945138596 /nfs/dbraw/zinc/13/85/96/945138596.db2.gz UCBRRUQKGOBZIW-DOTOQJQBSA-N 2 2 358.461 3.557 20 0 FHADLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143446698 936002638 /nfs/dbraw/zinc/00/26/38/936002638.db2.gz HLJWPXMYCRIDJY-UHFFFAOYSA-N 2 2 369.362 3.750 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000472253667 936051067 /nfs/dbraw/zinc/05/10/67/936051067.db2.gz AYMWKNDTHDKEPW-FQEVSTJZSA-N 2 2 373.566 3.667 20 0 FHADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(Cc3ccccc3)n2)C1 ZINC000472253667 936051070 /nfs/dbraw/zinc/05/10/70/936051070.db2.gz AYMWKNDTHDKEPW-FQEVSTJZSA-N 2 2 373.566 3.667 20 0 FHADLP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000657611584 936091682 /nfs/dbraw/zinc/09/16/82/936091682.db2.gz FLSVWUXKGYALIY-HSZRJFAPSA-N 2 2 368.521 3.679 20 0 FHADLP Fc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1OCC(F)(F)F ZINC000628157413 936122916 /nfs/dbraw/zinc/12/29/16/936122916.db2.gz GKLRXGULGFYEQQ-UHFFFAOYSA-N 2 2 357.351 3.870 20 0 FHADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582911206 936283740 /nfs/dbraw/zinc/28/37/40/936283740.db2.gz MQPMSZDYNXLUPZ-MRXNPFEDSA-N 2 2 369.900 3.572 20 0 FHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000536104264 938362560 /nfs/dbraw/zinc/36/25/60/938362560.db2.gz YOMTVTNYWPAVMY-GOSISDBHSA-N 2 2 368.525 3.562 20 0 FHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000536104264 938362562 /nfs/dbraw/zinc/36/25/62/938362562.db2.gz YOMTVTNYWPAVMY-GOSISDBHSA-N 2 2 368.525 3.562 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448123646 938397888 /nfs/dbraw/zinc/39/78/88/938397888.db2.gz UHIMTCJNEKFCHP-TZIWHRDSSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000448123646 938397891 /nfs/dbraw/zinc/39/78/91/938397891.db2.gz UHIMTCJNEKFCHP-TZIWHRDSSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000448123646 938397893 /nfs/dbraw/zinc/39/78/93/938397893.db2.gz UHIMTCJNEKFCHP-TZIWHRDSSA-N 2 2 371.569 3.620 20 0 FHADLP C[C@H](C(=O)N(C)C1CCCCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448123646 938397895 /nfs/dbraw/zinc/39/78/95/938397895.db2.gz UHIMTCJNEKFCHP-TZIWHRDSSA-N 2 2 371.569 3.620 20 0 FHADLP c1cn(Cc2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)cn1 ZINC000151321357 938527503 /nfs/dbraw/zinc/52/75/03/938527503.db2.gz ZICNIPZFBNZNCL-UHFFFAOYSA-N 2 2 374.532 3.728 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)OCCCO2 ZINC000151361762 938534633 /nfs/dbraw/zinc/53/46/33/938534633.db2.gz ACPSCDRBICMBAN-QGZVFWFLSA-N 2 2 363.461 3.944 20 0 FHADLP CC(C)[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000657817473 938539688 /nfs/dbraw/zinc/53/96/88/938539688.db2.gz OJFGOBLMNJSQMB-QGZVFWFLSA-N 2 2 350.304 3.893 20 0 FHADLP CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000163441123 938548072 /nfs/dbraw/zinc/54/80/72/938548072.db2.gz XPXKMBSJORHPPB-QGZVFWFLSA-N 2 2 354.498 3.560 20 0 FHADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1cc2cnccc2o1 ZINC000657826131 938588727 /nfs/dbraw/zinc/58/87/27/938588727.db2.gz DRGDRARLRQVAIA-SFHVURJKSA-N 2 2 364.493 3.691 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2ccncc2s1 ZINC000657840589 938696298 /nfs/dbraw/zinc/69/62/98/938696298.db2.gz HPKZXUNQOTVFIP-MRXNPFEDSA-N 2 2 367.518 3.979 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959399 938709913 /nfs/dbraw/zinc/70/99/13/938709913.db2.gz OPXVAGIGHDCWFZ-STQMWFEESA-N 2 2 366.387 3.635 20 0 FHADLP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959399 938709914 /nfs/dbraw/zinc/70/99/14/938709914.db2.gz OPXVAGIGHDCWFZ-STQMWFEESA-N 2 2 366.387 3.635 20 0 FHADLP C[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968297 938710829 /nfs/dbraw/zinc/71/08/29/938710829.db2.gz MPKDEKNQZHVHGD-UHFFFAOYSA-N 2 2 365.456 3.507 20 0 FHADLP C[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968297 938710831 /nfs/dbraw/zinc/71/08/31/938710831.db2.gz MPKDEKNQZHVHGD-UHFFFAOYSA-N 2 2 365.456 3.507 20 0 FHADLP CC(C)c1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(C(C)C)n1 ZINC000090086488 938875483 /nfs/dbraw/zinc/87/54/83/938875483.db2.gz JNSIIKLHWIERJA-UHFFFAOYSA-N 2 2 359.562 3.694 20 0 FHADLP COC(=O)c1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cn1C ZINC000584439212 938883821 /nfs/dbraw/zinc/88/38/21/938883821.db2.gz KFXMKAUUOWUICT-KRWDZBQOSA-N 2 2 369.509 3.565 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000092746404 938921178 /nfs/dbraw/zinc/92/11/78/938921178.db2.gz NZIYYTDRVTYDER-CABCVRRESA-N 2 2 360.452 3.523 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000093766599 938929896 /nfs/dbraw/zinc/92/98/96/938929896.db2.gz WEZZPDFWINQMPE-SFHVURJKSA-N 2 2 372.475 3.780 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000093766599 938929898 /nfs/dbraw/zinc/92/98/98/938929898.db2.gz WEZZPDFWINQMPE-SFHVURJKSA-N 2 2 372.475 3.780 20 0 FHADLP COc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC000685442993 938986854 /nfs/dbraw/zinc/98/68/54/938986854.db2.gz AAWHIGLVWZOFES-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1OC ZINC000685442993 938986855 /nfs/dbraw/zinc/98/68/55/938986855.db2.gz AAWHIGLVWZOFES-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1OC ZINC000685442993 938986856 /nfs/dbraw/zinc/98/68/56/938986856.db2.gz AAWHIGLVWZOFES-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1OC ZINC000685442993 938986857 /nfs/dbraw/zinc/98/68/57/938986857.db2.gz AAWHIGLVWZOFES-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COCC[NH+](CCOC)C1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000685443991 938987019 /nfs/dbraw/zinc/98/70/19/938987019.db2.gz LSIFYWXFFQPTQK-UHFFFAOYSA-N 2 2 374.525 3.609 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000685470809 938989451 /nfs/dbraw/zinc/98/94/51/938989451.db2.gz RZSBUFGDVSLJFW-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000685470809 938989452 /nfs/dbraw/zinc/98/94/52/938989452.db2.gz RZSBUFGDVSLJFW-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000685470809 938989453 /nfs/dbraw/zinc/98/94/53/938989453.db2.gz RZSBUFGDVSLJFW-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000685470809 938989454 /nfs/dbraw/zinc/98/94/54/938989454.db2.gz RZSBUFGDVSLJFW-RDJZCZTQSA-N 2 2 352.906 3.663 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080339197 939000457 /nfs/dbraw/zinc/00/04/57/939000457.db2.gz MRKNNWNTFKEDKG-XLIONFOSSA-N 2 2 354.494 3.847 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000080339197 939000458 /nfs/dbraw/zinc/00/04/58/939000458.db2.gz MRKNNWNTFKEDKG-XLIONFOSSA-N 2 2 354.494 3.847 20 0 FHADLP Cc1ccnc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cc(C)ccn4)C3)C2)c1 ZINC000685593144 939003120 /nfs/dbraw/zinc/00/31/20/939003120.db2.gz LYEXCVAVSUJWPV-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP Cc1ccnc(C[NH+]2CCCC3(CCC[N@H+](Cc4cc(C)ccn4)C3)C2)c1 ZINC000685593144 939003121 /nfs/dbraw/zinc/00/31/21/939003121.db2.gz LYEXCVAVSUJWPV-UHFFFAOYSA-N 2 2 364.537 3.972 20 0 FHADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000144682110 939005956 /nfs/dbraw/zinc/00/59/56/939005956.db2.gz JUEWOZZEVXTOKI-QUCCMNQESA-N 2 2 354.498 3.503 20 0 FHADLP Cc1ccc(-n2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)c(C(C)(C)C)n2)cc1 ZINC000685629711 939006351 /nfs/dbraw/zinc/00/63/51/939006351.db2.gz HKMNAIDCMLPEMU-QGZVFWFLSA-N 2 2 363.509 3.848 20 0 FHADLP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000657928665 939008194 /nfs/dbraw/zinc/00/81/94/939008194.db2.gz ADVYHANJATWYSX-IRLDBZIGSA-N 2 2 371.525 3.663 20 0 FHADLP COc1ccc([C@@H](C)[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1O ZINC000685648485 939008325 /nfs/dbraw/zinc/00/83/25/939008325.db2.gz RFTZTVJOODGVDF-CRAIPNDOSA-N 2 2 351.450 3.769 20 0 FHADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785508 939019067 /nfs/dbraw/zinc/01/90/67/939019067.db2.gz ARWKOILNULWORK-PZJWPPBQSA-N 2 2 367.541 3.928 20 0 FHADLP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C2CCCCC2)n1 ZINC000375785508 939019068 /nfs/dbraw/zinc/01/90/68/939019068.db2.gz ARWKOILNULWORK-PZJWPPBQSA-N 2 2 367.541 3.928 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658089624 939022206 /nfs/dbraw/zinc/02/22/06/939022206.db2.gz AKAWKWLVRYJCQD-NVXWUHKLSA-N 2 2 365.949 3.539 20 0 FHADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658089624 939022207 /nfs/dbraw/zinc/02/22/07/939022207.db2.gz AKAWKWLVRYJCQD-NVXWUHKLSA-N 2 2 365.949 3.539 20 0 FHADLP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000658294182 939100311 /nfs/dbraw/zinc/10/03/11/939100311.db2.gz LZQJETDQVSUDOW-IRLDBZIGSA-N 2 2 370.537 3.622 20 0 FHADLP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000658294086 939100812 /nfs/dbraw/zinc/10/08/12/939100812.db2.gz FXNHHIVDBVNWNZ-HXUWFJFHSA-N 3 2 365.606 3.509 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000658294150 939100858 /nfs/dbraw/zinc/10/08/58/939100858.db2.gz LXBALVVRIZPMIM-YQQAZPJKSA-N 2 2 359.539 3.631 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@@H+]2C)cn1 ZINC000375788475 939128820 /nfs/dbraw/zinc/12/88/20/939128820.db2.gz AHMYEYVCPMNXOV-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@H+]2C)cn1 ZINC000375788475 939128823 /nfs/dbraw/zinc/12/88/23/939128823.db2.gz AHMYEYVCPMNXOV-CRAIPNDOSA-N 2 2 366.431 3.612 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831504 939952382 /nfs/dbraw/zinc/95/23/82/939952382.db2.gz UDVIKGYKDHJHCF-QUJCMNEKSA-N 2 2 366.431 3.571 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831504 939952383 /nfs/dbraw/zinc/95/23/83/939952383.db2.gz UDVIKGYKDHJHCF-QUJCMNEKSA-N 2 2 366.431 3.571 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)CCO1 ZINC000668785752 940283279 /nfs/dbraw/zinc/28/32/79/940283279.db2.gz WOSJHFZWSZUCGK-OAHLLOKOSA-N 2 2 364.436 3.767 20 0 FHADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)CCO1 ZINC000668785752 940283280 /nfs/dbraw/zinc/28/32/80/940283280.db2.gz WOSJHFZWSZUCGK-OAHLLOKOSA-N 2 2 364.436 3.767 20 0 FHADLP COc1ccc(C[C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414090960 940496197 /nfs/dbraw/zinc/49/61/97/940496197.db2.gz DBSCVBHGYSMHFU-NQIIRXRSSA-N 2 2 364.493 3.866 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143510 940667925 /nfs/dbraw/zinc/66/79/25/940667925.db2.gz NORALUTVQMZOJX-AZUAARDMSA-N 2 2 352.526 3.782 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc2n(n1)CCC2 ZINC000414143510 940667928 /nfs/dbraw/zinc/66/79/28/940667928.db2.gz NORALUTVQMZOJX-AZUAARDMSA-N 2 2 352.526 3.782 20 0 FHADLP CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000613453205 940720604 /nfs/dbraw/zinc/72/06/04/940720604.db2.gz LDARPWJZJQNKBS-OAQYLSRUSA-N 2 2 374.569 3.674 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892573491 940812756 /nfs/dbraw/zinc/81/27/56/940812756.db2.gz CZHIQNXHBBNCEC-OAHLLOKOSA-N 2 2 356.539 3.937 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3nnc(C4CC4)s3)cc2)C1 ZINC000892573491 940812758 /nfs/dbraw/zinc/81/27/58/940812758.db2.gz CZHIQNXHBBNCEC-OAHLLOKOSA-N 2 2 356.539 3.937 20 0 FHADLP CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000414244309 940826440 /nfs/dbraw/zinc/82/64/40/940826440.db2.gz LBKWMUNWQBCQKL-PLMTUMEDSA-N 2 2 365.481 3.517 20 0 FHADLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176723526 941073661 /nfs/dbraw/zinc/07/36/61/941073661.db2.gz CZFGFZOFYQFMPQ-RXVVDRJESA-N 2 2 374.488 3.655 20 0 FHADLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176723526 941073663 /nfs/dbraw/zinc/07/36/63/941073663.db2.gz CZFGFZOFYQFMPQ-RXVVDRJESA-N 2 2 374.488 3.655 20 0 FHADLP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(C(C)C)[nH+]1 ZINC000302797641 941124086 /nfs/dbraw/zinc/12/40/86/941124086.db2.gz RCXQGZUSEOMEOT-LJQANCHMSA-N 2 2 354.498 3.611 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256064 941152058 /nfs/dbraw/zinc/15/20/58/941152058.db2.gz YTDWIKRMRSOAMP-NCXUSEDFSA-N 2 2 365.562 3.629 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000311256064 941152060 /nfs/dbraw/zinc/15/20/60/941152060.db2.gz YTDWIKRMRSOAMP-NCXUSEDFSA-N 2 2 365.562 3.629 20 0 FHADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccccc21 ZINC000376647807 941371561 /nfs/dbraw/zinc/37/15/61/941371561.db2.gz APWVUZSGNHVSMF-UXHICEINSA-N 2 2 367.493 3.533 20 0 FHADLP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673507 941377222 /nfs/dbraw/zinc/37/72/22/941377222.db2.gz RBGKEJAWNVASDD-SIKLNZKXSA-N 2 2 350.510 3.820 20 0 FHADLP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H](c3cccnc3)C3CCC3)C2)c1 ZINC000376673507 941377225 /nfs/dbraw/zinc/37/72/25/941377225.db2.gz RBGKEJAWNVASDD-SIKLNZKXSA-N 2 2 350.510 3.820 20 0 FHADLP Cc1nc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc12 ZINC000377118393 941524596 /nfs/dbraw/zinc/52/45/96/941524596.db2.gz YEMYPECUWLQOMU-QGZVFWFLSA-N 2 2 361.493 3.851 20 0 FHADLP Cc1nc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc2ccccc12 ZINC000377118393 941524599 /nfs/dbraw/zinc/52/45/99/941524599.db2.gz YEMYPECUWLQOMU-QGZVFWFLSA-N 2 2 361.493 3.851 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037169 941563453 /nfs/dbraw/zinc/56/34/53/941563453.db2.gz GNMRDGIFEHKJLT-RDJZCZTQSA-N 2 2 371.506 3.503 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037169 941563456 /nfs/dbraw/zinc/56/34/56/941563456.db2.gz GNMRDGIFEHKJLT-RDJZCZTQSA-N 2 2 371.506 3.503 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000415065000 941577580 /nfs/dbraw/zinc/57/75/80/941577580.db2.gz LYFSRBNPGXAXIX-UZLBHIALSA-N 2 2 353.510 3.818 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415063635 941581795 /nfs/dbraw/zinc/58/17/95/941581795.db2.gz IMBPFDCSKXJHQA-IRLDBZIGSA-N 2 2 354.494 3.596 20 0 FHADLP FC(F)(F)COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)ccn1 ZINC000415079764 941591671 /nfs/dbraw/zinc/59/16/71/941591671.db2.gz KOKRSQNOBACQHQ-DLBZAZTESA-N 2 2 365.399 3.606 20 0 FHADLP CC(C)C[C@H]([NH3+])CNC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096268 941599601 /nfs/dbraw/zinc/59/96/01/941599601.db2.gz AUHQDNHRQKJABZ-KRWDZBQOSA-N 2 2 357.464 3.633 20 0 FHADLP CC(C)C[C@H]([NH3+])C[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000415096268 941599603 /nfs/dbraw/zinc/59/96/03/941599603.db2.gz AUHQDNHRQKJABZ-KRWDZBQOSA-N 2 2 357.464 3.633 20 0 FHADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000377412507 941708364 /nfs/dbraw/zinc/70/83/64/941708364.db2.gz OBPKORBKEMCLAH-XIRDDKMYSA-N 2 2 373.472 3.705 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000377412505 941708642 /nfs/dbraw/zinc/70/86/42/941708642.db2.gz OBPKORBKEMCLAH-USXIJHARSA-N 2 2 373.472 3.705 20 0 FHADLP c1cn(-c2cccc(C[NH2+][C@@H](Cc3ccccn3)c3cccnc3)c2)c[nH+]1 ZINC000513404350 941898514 /nfs/dbraw/zinc/89/85/14/941898514.db2.gz HLMORYLXMORFGT-QFIPXVFZSA-N 2 2 355.445 3.736 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000377716132 941927598 /nfs/dbraw/zinc/92/75/98/941927598.db2.gz FKENUQLMXWCZPV-HNNXBMFYSA-N 2 2 357.483 3.783 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000377716132 941927601 /nfs/dbraw/zinc/92/76/01/941927601.db2.gz FKENUQLMXWCZPV-HNNXBMFYSA-N 2 2 357.483 3.783 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462628 941941195 /nfs/dbraw/zinc/94/11/95/941941195.db2.gz FVJMQKWQFQCPSP-UEVCKROQSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462628 941941197 /nfs/dbraw/zinc/94/11/97/941941197.db2.gz FVJMQKWQFQCPSP-UEVCKROQSA-N 2 2 351.538 3.932 20 0 FHADLP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000415603265 941942059 /nfs/dbraw/zinc/94/20/59/941942059.db2.gz ZTWJYCGWZOTGGE-OAQYLSRUSA-N 2 2 369.513 3.771 20 0 FHADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1cc3ccccc3nc1N1CCCCC1)C2 ZINC000377775667 941977132 /nfs/dbraw/zinc/97/71/32/941977132.db2.gz HLZNFJGQJBUDQB-GOSISDBHSA-N 2 2 361.493 3.595 20 0 FHADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1c(C)nn(-c3ccc(F)cc3)c1C)CCC2 ZINC000377831762 942020239 /nfs/dbraw/zinc/02/02/39/942020239.db2.gz OEZRAILWGKRZSM-KRWDZBQOSA-N 2 2 367.472 3.800 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951974 942272956 /nfs/dbraw/zinc/27/29/56/942272956.db2.gz RKJPGITULDDDTM-OALUTQOASA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951974 942272958 /nfs/dbraw/zinc/27/29/58/942272958.db2.gz RKJPGITULDDDTM-OALUTQOASA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951974 942272960 /nfs/dbraw/zinc/27/29/60/942272960.db2.gz RKJPGITULDDDTM-OALUTQOASA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951974 942272962 /nfs/dbraw/zinc/27/29/62/942272962.db2.gz RKJPGITULDDDTM-OALUTQOASA-N 2 2 370.459 3.942 20 0 FHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000549397395 942303742 /nfs/dbraw/zinc/30/37/42/942303742.db2.gz FXYPWZWNGOZCAR-BGYRXZFFSA-N 2 2 372.601 3.758 20 0 FHADLP CCc1nc(C(C)C)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000549397395 942303748 /nfs/dbraw/zinc/30/37/48/942303748.db2.gz FXYPWZWNGOZCAR-BGYRXZFFSA-N 2 2 372.601 3.758 20 0 FHADLP CCC[NH+]1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000502323160 942354198 /nfs/dbraw/zinc/35/41/98/942354198.db2.gz UEWFEMBYMFSXET-MRXNPFEDSA-N 2 2 353.304 3.737 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3cccc4c3OCCCO4)C2)n2c1CCCC2 ZINC000502323415 942354788 /nfs/dbraw/zinc/35/47/88/942354788.db2.gz WBMQNIQFRDWIRZ-SFHVURJKSA-N 2 2 367.493 3.760 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3cccc4c3OCCCO4)C2)n2c1CCCC2 ZINC000502323415 942354790 /nfs/dbraw/zinc/35/47/90/942354790.db2.gz WBMQNIQFRDWIRZ-SFHVURJKSA-N 2 2 367.493 3.760 20 0 FHADLP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000378182731 942359695 /nfs/dbraw/zinc/35/96/95/942359695.db2.gz KEBKSJXFRPQRMC-INIZCTEOSA-N 3 2 365.512 3.812 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n2c1CCCC2 ZINC000502313469 942361786 /nfs/dbraw/zinc/36/17/86/942361786.db2.gz CCXHHJKXSFPUFM-GOSISDBHSA-N 2 2 361.493 3.989 20 0 FHADLP c1[nH+]c([C@@H]2CCC[N@H+](Cc3cc(-c4ccccc4)n[nH]3)C2)n2c1CCCC2 ZINC000502313469 942361787 /nfs/dbraw/zinc/36/17/87/942361787.db2.gz CCXHHJKXSFPUFM-GOSISDBHSA-N 2 2 361.493 3.989 20 0 FHADLP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346507 942374072 /nfs/dbraw/zinc/37/40/72/942374072.db2.gz PDZNBLRHTBAVMI-SFHVURJKSA-N 2 2 361.493 3.989 20 0 FHADLP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000502346507 942374078 /nfs/dbraw/zinc/37/40/78/942374078.db2.gz PDZNBLRHTBAVMI-SFHVURJKSA-N 2 2 361.493 3.989 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1C ZINC000421319867 942480312 /nfs/dbraw/zinc/48/03/12/942480312.db2.gz OHBXFJNZMXLQNT-OAHLLOKOSA-N 2 2 352.954 3.858 20 0 FHADLP Cc1c(Cl)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)nn1C ZINC000421319867 942480315 /nfs/dbraw/zinc/48/03/15/942480315.db2.gz OHBXFJNZMXLQNT-OAHLLOKOSA-N 2 2 352.954 3.858 20 0 FHADLP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831817 942500533 /nfs/dbraw/zinc/50/05/33/942500533.db2.gz NYPWSFLDSCZHRZ-SJKOYZFVSA-N 2 2 351.263 3.809 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420316747 942618093 /nfs/dbraw/zinc/61/80/93/942618093.db2.gz NOHBHTRENOZUMF-SPEDKVCISA-N 2 2 359.473 3.633 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420316747 942618100 /nfs/dbraw/zinc/61/81/00/942618100.db2.gz NOHBHTRENOZUMF-SPEDKVCISA-N 2 2 359.473 3.633 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420316744 942619093 /nfs/dbraw/zinc/61/90/93/942619093.db2.gz NOHBHTRENOZUMF-HMFYCAOWSA-N 2 2 359.473 3.633 20 0 FHADLP O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420316744 942619095 /nfs/dbraw/zinc/61/90/95/942619095.db2.gz NOHBHTRENOZUMF-HMFYCAOWSA-N 2 2 359.473 3.633 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342580 942619167 /nfs/dbraw/zinc/61/91/67/942619167.db2.gz OZOYAADPSDMXTH-OGHNNQOOSA-N 2 2 352.935 3.869 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(Cl)s1 ZINC000378342580 942619174 /nfs/dbraw/zinc/61/91/74/942619174.db2.gz OZOYAADPSDMXTH-OGHNNQOOSA-N 2 2 352.935 3.869 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420361926 942639359 /nfs/dbraw/zinc/63/93/59/942639359.db2.gz NUBKJPHMICWUGM-INIZCTEOSA-N 2 2 359.297 3.529 20 0 FHADLP COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000420361926 942639365 /nfs/dbraw/zinc/63/93/65/942639365.db2.gz NUBKJPHMICWUGM-INIZCTEOSA-N 2 2 359.297 3.529 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000420364568 942639721 /nfs/dbraw/zinc/63/97/21/942639721.db2.gz PEQFADOBXSJGOW-JKSUJKDBSA-N 2 2 372.340 3.620 20 0 FHADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc2ccccc21 ZINC000420365491 942641060 /nfs/dbraw/zinc/64/10/60/942641060.db2.gz SEPDSOJQXSTPKZ-KKSFZXQISA-N 2 2 353.510 3.514 20 0 FHADLP C[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000420391892 942652692 /nfs/dbraw/zinc/65/26/92/942652692.db2.gz BEYQEOKJFADAEY-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@@H]1C[NH3+] ZINC000420391892 942652698 /nfs/dbraw/zinc/65/26/98/942652698.db2.gz BEYQEOKJFADAEY-OCCSQVGLSA-N 2 2 364.287 3.521 20 0 FHADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403791 942661821 /nfs/dbraw/zinc/66/18/21/942661821.db2.gz RRUOSHGNIYMXCB-KNQAVFIVSA-N 2 2 363.505 3.756 20 0 FHADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1-c1ccccc1 ZINC000420403791 942661826 /nfs/dbraw/zinc/66/18/26/942661826.db2.gz RRUOSHGNIYMXCB-KNQAVFIVSA-N 2 2 363.505 3.756 20 0 FHADLP CCn1c[nH+]cc1CNc1[nH+]ccn1Cc1ccc(Br)cc1 ZINC000416426526 942808258 /nfs/dbraw/zinc/80/82/58/942808258.db2.gz JTUHGGORHBAFBS-UHFFFAOYSA-N 2 2 360.259 3.522 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660000457 942822875 /nfs/dbraw/zinc/82/28/75/942822875.db2.gz AYETUZDLIRQLHC-FUHWJXTLSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660000457 942822878 /nfs/dbraw/zinc/82/28/78/942822878.db2.gz AYETUZDLIRQLHC-FUHWJXTLSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660000457 942822883 /nfs/dbraw/zinc/82/28/83/942822883.db2.gz AYETUZDLIRQLHC-FUHWJXTLSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000660000457 942822887 /nfs/dbraw/zinc/82/28/87/942822887.db2.gz AYETUZDLIRQLHC-FUHWJXTLSA-N 2 2 361.555 3.812 20 0 FHADLP Cc1ccn2c(C[NH+]3CCC[C@H]([N@H+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640738 942831647 /nfs/dbraw/zinc/83/16/47/942831647.db2.gz ODKAMHMHYIPSKO-FQEVSTJZSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[NH+]3CCC[C@H]([N@@H+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640738 942831649 /nfs/dbraw/zinc/83/16/49/942831649.db2.gz ODKAMHMHYIPSKO-FQEVSTJZSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[N@H+]3CCC[C@H]([NH+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640738 942831650 /nfs/dbraw/zinc/83/16/50/942831650.db2.gz ODKAMHMHYIPSKO-FQEVSTJZSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[N@@H+]3CCC[C@H]([NH+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640738 942831651 /nfs/dbraw/zinc/83/16/51/942831651.db2.gz ODKAMHMHYIPSKO-FQEVSTJZSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[NH+]3CCC[C@@H]([N@H+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640739 942832020 /nfs/dbraw/zinc/83/20/20/942832020.db2.gz ODKAMHMHYIPSKO-HXUWFJFHSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[NH+]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640739 942832026 /nfs/dbraw/zinc/83/20/26/942832026.db2.gz ODKAMHMHYIPSKO-HXUWFJFHSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[N@H+]3CCC[C@@H]([NH+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640739 942832031 /nfs/dbraw/zinc/83/20/31/942832031.db2.gz ODKAMHMHYIPSKO-HXUWFJFHSA-N 2 2 363.509 3.524 20 0 FHADLP Cc1ccn2c(C[N@@H+]3CCC[C@@H]([NH+](C)Cc4ccccn4)CC3)cnc2c1 ZINC000434640739 942832036 /nfs/dbraw/zinc/83/20/36/942832036.db2.gz ODKAMHMHYIPSKO-HXUWFJFHSA-N 2 2 363.509 3.524 20 0 FHADLP CCCC[C@H](CC)CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008626 942936922 /nfs/dbraw/zinc/93/69/22/942936922.db2.gz AGBTXRCYEYWICH-IBGZPJMESA-N 2 2 351.579 3.612 20 0 FHADLP CCCC[C@H](CC)CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422008626 942936929 /nfs/dbraw/zinc/93/69/29/942936929.db2.gz AGBTXRCYEYWICH-IBGZPJMESA-N 2 2 351.579 3.612 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(CC(C)C)CC(C)C)CC2)CC1 ZINC000422015554 942952227 /nfs/dbraw/zinc/95/22/27/942952227.db2.gz GXNMKIQEYAGMSI-UHFFFAOYSA-N 2 2 365.606 3.713 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(CC(C)C)CC(C)C)CC2)CC1 ZINC000422015554 942952232 /nfs/dbraw/zinc/95/22/32/942952232.db2.gz GXNMKIQEYAGMSI-UHFFFAOYSA-N 2 2 365.606 3.713 20 0 FHADLP CCC[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1cccnc1 ZINC000273443468 942958379 /nfs/dbraw/zinc/95/83/79/942958379.db2.gz DRBAYPWTUFNOLT-FQEVSTJZSA-N 2 2 353.514 3.960 20 0 FHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000378616451 942965421 /nfs/dbraw/zinc/96/54/21/942965421.db2.gz OTURMUWVIWYGFF-XLIONFOSSA-N 2 2 366.509 3.603 20 0 FHADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000378616451 942965426 /nfs/dbraw/zinc/96/54/26/942965426.db2.gz OTURMUWVIWYGFF-XLIONFOSSA-N 2 2 366.509 3.603 20 0 FHADLP O=C(NCc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434997810 943094036 /nfs/dbraw/zinc/09/40/36/943094036.db2.gz XNUQTHNRMPSHJC-QFIPXVFZSA-N 2 2 374.488 3.647 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365191 943150282 /nfs/dbraw/zinc/15/02/82/943150282.db2.gz GMCKUBRKWWPJBX-NCXUSEDFSA-N 2 2 372.557 3.577 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365191 943150284 /nfs/dbraw/zinc/15/02/84/943150284.db2.gz GMCKUBRKWWPJBX-NCXUSEDFSA-N 2 2 372.557 3.577 20 0 FHADLP COc1ccc(OCCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378152 943155951 /nfs/dbraw/zinc/15/59/51/943155951.db2.gz RGQGRUJXLDUPGL-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP COc1ccc(OCCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503378152 943155953 /nfs/dbraw/zinc/15/59/53/943155953.db2.gz RGQGRUJXLDUPGL-GOSISDBHSA-N 2 2 369.509 3.877 20 0 FHADLP C[N@H+](CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccc(F)cc1 ZINC000503412241 943169517 /nfs/dbraw/zinc/16/95/17/943169517.db2.gz MWXNKLVCDMAKOB-IBGZPJMESA-N 2 2 370.516 3.670 20 0 FHADLP C[N@@H+](CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Cc1ccc(F)cc1 ZINC000503412241 943169522 /nfs/dbraw/zinc/16/95/22/943169522.db2.gz MWXNKLVCDMAKOB-IBGZPJMESA-N 2 2 370.516 3.670 20 0 FHADLP O=C(Nc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1)c1ccc(Cl)cc1 ZINC000422561029 943181563 /nfs/dbraw/zinc/18/15/63/943181563.db2.gz IODVTTXMXXEWFN-UHFFFAOYSA-N 2 2 369.896 3.920 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000503435582 943182357 /nfs/dbraw/zinc/18/23/57/943182357.db2.gz MYKOFJYAMNRSGA-HNNXBMFYSA-N 2 2 373.522 3.756 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)s1 ZINC000503435582 943182365 /nfs/dbraw/zinc/18/23/65/943182365.db2.gz MYKOFJYAMNRSGA-HNNXBMFYSA-N 2 2 373.522 3.756 20 0 FHADLP Fc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)C2)cc1 ZINC000272611356 943186479 /nfs/dbraw/zinc/18/64/79/943186479.db2.gz WFHBDFCWOMTQQB-HNNXBMFYSA-N 2 2 373.438 3.658 20 0 FHADLP Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552618 943187506 /nfs/dbraw/zinc/18/75/06/943187506.db2.gz HTMHWCIHPWCKEU-PKOBYXMFSA-N 2 2 360.933 3.554 20 0 FHADLP Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nn1C ZINC000422552618 943187509 /nfs/dbraw/zinc/18/75/09/943187509.db2.gz HTMHWCIHPWCKEU-PKOBYXMFSA-N 2 2 360.933 3.554 20 0 FHADLP Cc1ccc([C@@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000272638280 943191178 /nfs/dbraw/zinc/19/11/78/943191178.db2.gz BYCXGKBSCLIUIU-GOSISDBHSA-N 2 2 357.464 3.604 20 0 FHADLP Fc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115053 943217003 /nfs/dbraw/zinc/21/70/03/943217003.db2.gz KCNBFJCZDHUHKF-CXAGYDPISA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(F)F ZINC000660115053 943217009 /nfs/dbraw/zinc/21/70/09/943217009.db2.gz KCNBFJCZDHUHKF-CXAGYDPISA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC(F)F ZINC000660115053 943217012 /nfs/dbraw/zinc/21/70/12/943217012.db2.gz KCNBFJCZDHUHKF-CXAGYDPISA-N 2 2 354.416 3.876 20 0 FHADLP Fc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC(F)F ZINC000660115053 943217017 /nfs/dbraw/zinc/21/70/17/943217017.db2.gz KCNBFJCZDHUHKF-CXAGYDPISA-N 2 2 354.416 3.876 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCc3ccco3)CC2)cc1 ZINC000514709995 943237976 /nfs/dbraw/zinc/23/79/76/943237976.db2.gz OPHBPJWSRWNGPE-KRWDZBQOSA-N 2 2 369.509 3.813 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000422701073 943237937 /nfs/dbraw/zinc/23/79/37/943237937.db2.gz BEOLFMROKMCDPZ-WWMYMODYSA-N 2 2 372.484 3.822 20 0 FHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000422731831 943250121 /nfs/dbraw/zinc/25/01/21/943250121.db2.gz MMPQMUMZZIZPDE-YOEHRIQHSA-N 2 2 352.400 3.676 20 0 FHADLP CCc1cc(OC)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000503578996 943273815 /nfs/dbraw/zinc/27/38/15/943273815.db2.gz XZLBDJIHJUMDSR-KRWDZBQOSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000503578996 943273820 /nfs/dbraw/zinc/27/38/20/943273820.db2.gz XZLBDJIHJUMDSR-KRWDZBQOSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000503578996 943273822 /nfs/dbraw/zinc/27/38/22/943273822.db2.gz XZLBDJIHJUMDSR-KRWDZBQOSA-N 2 2 373.566 3.976 20 0 FHADLP CCc1cc(OC)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000503578996 943273824 /nfs/dbraw/zinc/27/38/24/943273824.db2.gz XZLBDJIHJUMDSR-KRWDZBQOSA-N 2 2 373.566 3.976 20 0 FHADLP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000422829728 943298165 /nfs/dbraw/zinc/29/81/65/943298165.db2.gz HUJIICPNPDOMLV-QHAWAJNXSA-N 2 2 352.526 3.526 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H](c2cccnc2)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422830154 943298392 /nfs/dbraw/zinc/29/83/92/943298392.db2.gz IFLVZNFMSDFJEB-FKBYEOEOSA-N 2 2 353.510 3.913 20 0 FHADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422836771 943301259 /nfs/dbraw/zinc/30/12/59/943301259.db2.gz RZSNZWASBXXLKP-PZJWPPBQSA-N 2 2 354.542 3.916 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1c[nH+]ccc1N ZINC000422880446 943315190 /nfs/dbraw/zinc/31/51/90/943315190.db2.gz LWVMFCVGOJSVRW-KZNAEPCWSA-N 3 2 352.526 3.823 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCC3)cc1 ZINC000422906509 943327045 /nfs/dbraw/zinc/32/70/45/943327045.db2.gz KAVZTMZRNZRBCD-RRQGHBQHSA-N 2 2 357.523 3.926 20 0 FHADLP COc1ccc([C@@H](Nc2ccc(N3CCCCC3)[nH+]c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422960427 943350765 /nfs/dbraw/zinc/35/07/65/943350765.db2.gz WJAIZBCJEREBKC-IFMALSPDSA-N 2 2 366.509 3.986 20 0 FHADLP COc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccco1 ZINC000422991024 943352173 /nfs/dbraw/zinc/35/21/73/943352173.db2.gz OZWRHMZVXKCWKW-VFNWGFHPSA-N 2 2 351.450 3.891 20 0 FHADLP Cc1ccc(OCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435379434 943367318 /nfs/dbraw/zinc/36/73/18/943367318.db2.gz MGUQBAFGYXAWBH-KFKAGJAMSA-N 2 2 357.523 3.590 20 0 FHADLP Cc1ccc(OCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1 ZINC000435379434 943367324 /nfs/dbraw/zinc/36/73/24/943367324.db2.gz MGUQBAFGYXAWBH-KFKAGJAMSA-N 2 2 357.523 3.590 20 0 FHADLP CCOc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435379361 943367835 /nfs/dbraw/zinc/36/78/35/943367835.db2.gz BPTAEDXXDJPMNF-HXUWFJFHSA-N 2 2 369.509 3.633 20 0 FHADLP CCOc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435379361 943367837 /nfs/dbraw/zinc/36/78/37/943367837.db2.gz BPTAEDXXDJPMNF-HXUWFJFHSA-N 2 2 369.509 3.633 20 0 FHADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435379505 943368249 /nfs/dbraw/zinc/36/82/49/943368249.db2.gz MPIFWHBRMGWOGU-HNNXBMFYSA-N 2 2 360.933 4.000 20 0 FHADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2ccccc2Cl)C1 ZINC000435379505 943368252 /nfs/dbraw/zinc/36/82/52/943368252.db2.gz MPIFWHBRMGWOGU-HNNXBMFYSA-N 2 2 360.933 4.000 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000423022900 943369210 /nfs/dbraw/zinc/36/92/10/943369210.db2.gz IMYLTRKAPRGFRW-LZBRWLDZSA-N 2 2 353.913 3.592 20 0 FHADLP C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038396 943373656 /nfs/dbraw/zinc/37/36/56/943373656.db2.gz YQPNEKRTUZDVGP-JBBXEZCESA-N 2 2 353.913 3.591 20 0 FHADLP C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1)C1C[NH2+]C1 ZINC000423038396 943373662 /nfs/dbraw/zinc/37/36/62/943373662.db2.gz YQPNEKRTUZDVGP-JBBXEZCESA-N 2 2 353.913 3.591 20 0 FHADLP C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000423041666 943374974 /nfs/dbraw/zinc/37/49/74/943374974.db2.gz XQGLTVNWQCSOLQ-ZANVPECISA-N 2 2 351.210 3.640 20 0 FHADLP COc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)C2)cc1F ZINC000503861097 943389706 /nfs/dbraw/zinc/38/97/06/943389706.db2.gz WJFAUAIRZYZMBR-SAABIXHNSA-N 2 2 355.457 3.734 20 0 FHADLP CCn1ccnc1C[N@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420678 943400599 /nfs/dbraw/zinc/40/05/99/943400599.db2.gz FFDISGKIDNIOTC-HZQHCPKGSA-N 2 2 368.500 3.700 20 0 FHADLP CCn1ccnc1C[N@@H+](C/C=C\c1ccc(F)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435420678 943400601 /nfs/dbraw/zinc/40/06/01/943400601.db2.gz FFDISGKIDNIOTC-HZQHCPKGSA-N 2 2 368.500 3.700 20 0 FHADLP Fc1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000423105327 943400999 /nfs/dbraw/zinc/40/09/99/943400999.db2.gz IDOBWVPVQNHTQN-IUIKQTSFSA-N 2 2 359.258 3.738 20 0 FHADLP Cc1ncsc1C[N@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000435424896 943405322 /nfs/dbraw/zinc/40/53/22/943405322.db2.gz BSEKAGPQLRQBCM-XYBNCVKDSA-N 2 2 363.477 3.855 20 0 FHADLP Cc1ncsc1C[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@@H]1CC[NH2+]C1 ZINC000435424896 943405325 /nfs/dbraw/zinc/40/53/25/943405325.db2.gz BSEKAGPQLRQBCM-XYBNCVKDSA-N 2 2 363.477 3.855 20 0 FHADLP COc1ccccc1/C=C/C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427680 943406746 /nfs/dbraw/zinc/40/67/46/943406746.db2.gz NUTHIQIANISAAP-OQBYNLHGSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccccc1/C=C/C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435427680 943406751 /nfs/dbraw/zinc/40/67/51/943406751.db2.gz NUTHIQIANISAAP-OQBYNLHGSA-N 2 2 369.534 3.809 20 0 FHADLP COc1ccc([C@@H]([NH2+]CC(C)(C)c2ncccc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423139483 943416478 /nfs/dbraw/zinc/41/64/78/943416478.db2.gz KVTRIOCRMSHTNZ-WOJBJXKFSA-N 2 2 353.510 3.759 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423235618 943442991 /nfs/dbraw/zinc/44/29/91/943442991.db2.gz GSOSZLDXEWCMLH-KKSFZXQISA-N 2 2 353.510 3.862 20 0 FHADLP COc1c(C)cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1Cl ZINC000423236709 943443747 /nfs/dbraw/zinc/44/37/47/943443747.db2.gz SGLWQWRIJOYFSZ-AWEZNQCLSA-N 2 2 360.889 3.635 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423237734 943444284 /nfs/dbraw/zinc/44/42/84/943444284.db2.gz IMCQZSQDAVBNAW-UTKZUKDTSA-N 2 2 353.510 3.841 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000423289237 943465559 /nfs/dbraw/zinc/46/55/59/943465559.db2.gz APIZWEKQXWKBSW-KUHUBIRLSA-N 2 2 354.885 3.972 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515053626 943477025 /nfs/dbraw/zinc/47/70/25/943477025.db2.gz YGSPHINZYANDDX-MOXGXCLJSA-N 2 2 371.912 3.711 20 0 FHADLP CC(C)(C)[NH2+]CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414733101 943479350 /nfs/dbraw/zinc/47/93/50/943479350.db2.gz CLUMMYVRUGUHCD-UHFFFAOYSA-N 2 2 369.347 3.818 20 0 FHADLP CC(C)(C)[NH2+]CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000414733101 943479353 /nfs/dbraw/zinc/47/93/53/943479353.db2.gz CLUMMYVRUGUHCD-UHFFFAOYSA-N 2 2 369.347 3.818 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1 ZINC000423326614 943480427 /nfs/dbraw/zinc/48/04/27/943480427.db2.gz JJBUTRROMBRRCJ-KBJGYGKASA-N 2 2 352.478 3.522 20 0 FHADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423374466 943486255 /nfs/dbraw/zinc/48/62/55/943486255.db2.gz SXVVCCFERHHJHV-VHSXEESVSA-N 2 2 354.317 3.879 20 0 FHADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423358590 943489742 /nfs/dbraw/zinc/48/97/42/943489742.db2.gz BWDFSPQGDHCIQY-VHSXEESVSA-N 2 2 354.317 3.879 20 0 FHADLP Cn1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]C3)c2ccc(Cl)cc2)n1 ZINC000423364590 943492413 /nfs/dbraw/zinc/49/24/13/943492413.db2.gz AXADAAXUAHBAGE-FQEVSTJZSA-N 2 2 352.869 3.556 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000423377770 943494800 /nfs/dbraw/zinc/49/48/00/943494800.db2.gz FISXUNAMAABWDE-GHMZBOCLSA-N 2 2 365.827 3.664 20 0 FHADLP COC[C@]1(C[NH2+][C@H](C)c2sc(-c3ccccc3F)nc2C)CCC[NH2+]1 ZINC000423422380 943505982 /nfs/dbraw/zinc/50/59/82/943505982.db2.gz KNGRKLAOSKWTHC-BFUOFWGJSA-N 2 2 363.502 3.677 20 0 FHADLP COC[C@@]1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(C)cc4)sc32)CCC[NH2+]1 ZINC000423430026 943516719 /nfs/dbraw/zinc/51/67/19/943516719.db2.gz PGHLNTMTYMNTFS-UTKZUKDTSA-N 2 2 371.550 3.854 20 0 FHADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000414745816 943520827 /nfs/dbraw/zinc/52/08/27/943520827.db2.gz RKTODCPKEFNMSZ-CQSZACIVSA-N 2 2 355.885 3.503 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623356 943525337 /nfs/dbraw/zinc/52/53/37/943525337.db2.gz CHXSWGPAUIILRH-OAQYLSRUSA-N 2 2 365.521 3.680 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435623356 943525340 /nfs/dbraw/zinc/52/53/40/943525340.db2.gz CHXSWGPAUIILRH-OAQYLSRUSA-N 2 2 365.521 3.680 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693282 943560841 /nfs/dbraw/zinc/56/08/41/943560841.db2.gz IMKKPMXUZCBLPG-KZNAEPCWSA-N 2 2 363.571 3.683 20 0 FHADLP C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693282 943560842 /nfs/dbraw/zinc/56/08/42/943560842.db2.gz IMKKPMXUZCBLPG-KZNAEPCWSA-N 2 2 363.571 3.683 20 0 FHADLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H](C)c3cnc(C)s3)CC2)cc1 ZINC000651437204 943689836 /nfs/dbraw/zinc/68/98/36/943689836.db2.gz JDSDRXDDCHRWKJ-AWEZNQCLSA-N 2 2 372.538 3.725 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000515327537 943791946 /nfs/dbraw/zinc/79/19/46/943791946.db2.gz WTVDRODXQRYDCS-XMSQKQJNSA-N 2 2 366.505 3.736 20 0 FHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000424329903 943847344 /nfs/dbraw/zinc/84/73/44/943847344.db2.gz HFSRFAGLENNCGW-BRWVUGGUSA-N 2 2 370.324 3.516 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000424339057 943870908 /nfs/dbraw/zinc/87/09/08/943870908.db2.gz VKLKOHJSYAFPEB-GAJTVXKRSA-N 2 2 363.811 3.545 20 0 FHADLP COC(=O)[C@H](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000425438620 943935824 /nfs/dbraw/zinc/93/58/24/943935824.db2.gz AVQHNEUXLUHMNG-OAQYLSRUSA-N 2 2 369.509 3.722 20 0 FHADLP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC1 ZINC000414879069 944040214 /nfs/dbraw/zinc/04/02/14/944040214.db2.gz OWQPRLHTHPBCNR-UHFFFAOYSA-N 2 2 352.301 3.544 20 0 FHADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@H](c4ccccc4)C3)[nH+]c2)C1 ZINC000437784342 944110422 /nfs/dbraw/zinc/11/04/22/944110422.db2.gz KARQQYDVFJSSFT-QKNQBKEWSA-N 2 2 350.510 3.970 20 0 FHADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143262 /nfs/dbraw/zinc/14/32/62/944143262.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 2 358.526 3.806 20 0 FHADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143269 /nfs/dbraw/zinc/14/32/69/944143269.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 2 358.526 3.806 20 0 FHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143274 /nfs/dbraw/zinc/14/32/74/944143274.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 2 358.526 3.806 20 0 FHADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC000500129028 944143281 /nfs/dbraw/zinc/14/32/81/944143281.db2.gz KBCCFDPREOQUMP-IBGZPJMESA-N 2 2 358.526 3.806 20 0 FHADLP Cc1ccncc1CCC[NH2+]C[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000517262692 944143705 /nfs/dbraw/zinc/14/37/05/944143705.db2.gz BQPUGJUCNSKDRO-HSZRJFAPSA-N 2 2 351.538 3.995 20 0 FHADLP Cc1ccncc1CCC[NH2+]C[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000517262692 944143709 /nfs/dbraw/zinc/14/37/09/944143709.db2.gz BQPUGJUCNSKDRO-HSZRJFAPSA-N 2 2 351.538 3.995 20 0 FHADLP c1cc(-c2n[nH]cc2C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cs1 ZINC000436282507 944161246 /nfs/dbraw/zinc/16/12/46/944161246.db2.gz QZJJSNBQWOXNRR-UHFFFAOYSA-N 2 2 362.568 3.589 20 0 FHADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371567 944252041 /nfs/dbraw/zinc/25/20/41/944252041.db2.gz APNULDBUIWDUEF-YADHBBJMSA-N 2 2 372.516 3.640 20 0 FHADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000517371567 944252046 /nfs/dbraw/zinc/25/20/46/944252046.db2.gz APNULDBUIWDUEF-YADHBBJMSA-N 2 2 372.516 3.640 20 0 FHADLP Cc1ccc2cc([C@@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc2c1 ZINC000425941612 944287107 /nfs/dbraw/zinc/28/71/07/944287107.db2.gz ZZHJSGNEWMNQNC-QGZVFWFLSA-N 2 2 364.493 3.739 20 0 FHADLP COc1cc2c(c(C[NH2+]CCC[N@H+](C)Cc3ccccc3)c1)O[C@@H](C)C2 ZINC000517541128 944371595 /nfs/dbraw/zinc/37/15/95/944371595.db2.gz SZOYYBWLEWCGKA-KRWDZBQOSA-N 2 2 354.494 3.630 20 0 FHADLP COc1cc2c(c(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)c1)O[C@@H](C)C2 ZINC000517541128 944371600 /nfs/dbraw/zinc/37/16/00/944371600.db2.gz SZOYYBWLEWCGKA-KRWDZBQOSA-N 2 2 354.494 3.630 20 0 FHADLP CSc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390545271 944429737 /nfs/dbraw/zinc/42/97/37/944429737.db2.gz IHORBNSFGSHAOL-HXUWFJFHSA-N 2 2 356.535 3.789 20 0 FHADLP CSc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390545271 944429739 /nfs/dbraw/zinc/42/97/39/944429739.db2.gz IHORBNSFGSHAOL-HXUWFJFHSA-N 2 2 356.535 3.789 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981950 944492695 /nfs/dbraw/zinc/49/26/95/944492695.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167981950 944492701 /nfs/dbraw/zinc/49/27/01/944492701.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167981950 944492706 /nfs/dbraw/zinc/49/27/06/944492706.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 3 2 367.581 3.892 20 0 FHADLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981950 944492708 /nfs/dbraw/zinc/49/27/08/944492708.db2.gz QNORFYOGJVHWIB-AQZBRGQLSA-N 3 2 367.581 3.892 20 0 FHADLP OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000518618953 944550477 /nfs/dbraw/zinc/55/04/77/944550477.db2.gz AIQKSFUWJVTABV-JKSUJKDBSA-N 2 2 371.531 3.935 20 0 FHADLP OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000518618953 944550480 /nfs/dbraw/zinc/55/04/80/944550480.db2.gz AIQKSFUWJVTABV-JKSUJKDBSA-N 2 2 371.531 3.935 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCc4ccccc43)C2)cc1 ZINC000390612108 944567903 /nfs/dbraw/zinc/56/79/03/944567903.db2.gz XBLAOYQKQJQGEY-JTHBVZDNSA-N 2 2 350.506 3.945 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCc4ccccc43)C2)cc1 ZINC000390612108 944567908 /nfs/dbraw/zinc/56/79/08/944567908.db2.gz XBLAOYQKQJQGEY-JTHBVZDNSA-N 2 2 350.506 3.945 20 0 FHADLP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414930520 944613078 /nfs/dbraw/zinc/61/30/78/944613078.db2.gz PJADEURWXNJLPN-CYBMUJFWSA-N 2 2 368.399 3.730 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584529 944637054 /nfs/dbraw/zinc/63/70/54/944637054.db2.gz CCQMHMPZQAZLCQ-AABGKKOBSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506584529 944637059 /nfs/dbraw/zinc/63/70/59/944637059.db2.gz CCQMHMPZQAZLCQ-AABGKKOBSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506584529 944637064 /nfs/dbraw/zinc/63/70/64/944637064.db2.gz CCQMHMPZQAZLCQ-AABGKKOBSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506584529 944637069 /nfs/dbraw/zinc/63/70/69/944637069.db2.gz CCQMHMPZQAZLCQ-AABGKKOBSA-N 2 2 363.590 3.752 20 0 FHADLP CCN(CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)CCC(F)(F)F ZINC000426024457 944653274 /nfs/dbraw/zinc/65/32/74/944653274.db2.gz RYDIXKKGSVUCAW-HNNXBMFYSA-N 2 2 354.420 3.797 20 0 FHADLP Cc1nc2ccc(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc2s1 ZINC000426400836 944668286 /nfs/dbraw/zinc/66/82/86/944668286.db2.gz LHMDJRSHTDWFOJ-IRXDYDNUSA-N 2 2 372.582 3.595 20 0 FHADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390692741 944729187 /nfs/dbraw/zinc/72/91/87/944729187.db2.gz QJAHVXITJOGPRB-QHCPKHFHSA-N 2 2 368.521 3.855 20 0 FHADLP CC(C)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390692741 944729194 /nfs/dbraw/zinc/72/91/94/944729194.db2.gz QJAHVXITJOGPRB-QHCPKHFHSA-N 2 2 368.521 3.855 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc4ncccc4c3)C2)cc1 ZINC000390726560 944812179 /nfs/dbraw/zinc/81/21/79/944812179.db2.gz LVNQOAJPXFELFL-JOCHJYFZSA-N 2 2 361.489 3.616 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc4ncccc4c3)C2)cc1 ZINC000390726560 944812184 /nfs/dbraw/zinc/81/21/84/944812184.db2.gz LVNQOAJPXFELFL-JOCHJYFZSA-N 2 2 361.489 3.616 20 0 FHADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@@H](C)O1 ZINC000426817285 944838406 /nfs/dbraw/zinc/83/84/06/944838406.db2.gz BKCPYOXWWQHRGS-IAGOWNOFSA-N 2 2 363.546 3.683 20 0 FHADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135394 944962860 /nfs/dbraw/zinc/96/28/60/944962860.db2.gz LWQZMCZWAIZNRZ-SFHVURJKSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135394 944962870 /nfs/dbraw/zinc/96/28/70/944962870.db2.gz LWQZMCZWAIZNRZ-SFHVURJKSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135394 944962878 /nfs/dbraw/zinc/96/28/78/944962878.db2.gz LWQZMCZWAIZNRZ-SFHVURJKSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135394 944962885 /nfs/dbraw/zinc/96/28/85/944962885.db2.gz LWQZMCZWAIZNRZ-SFHVURJKSA-N 2 2 370.463 3.603 20 0 FHADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)sc2C1 ZINC000415005045 945010861 /nfs/dbraw/zinc/01/08/61/945010861.db2.gz OPZQBAPRHSGMAF-QILLFSRXSA-N 2 2 373.541 3.890 20 0 FHADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000438774218 945012686 /nfs/dbraw/zinc/01/26/86/945012686.db2.gz QSSMEGKFIQUJRN-UHFFFAOYSA-N 2 2 374.488 3.708 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000519678456 945628710 /nfs/dbraw/zinc/62/87/10/945628710.db2.gz YXVQGKSBZOAZTB-QGZVFWFLSA-N 2 2 353.388 3.724 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000519678456 945628716 /nfs/dbraw/zinc/62/87/16/945628716.db2.gz YXVQGKSBZOAZTB-QGZVFWFLSA-N 2 2 353.388 3.724 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000522744232 945738300 /nfs/dbraw/zinc/73/83/00/945738300.db2.gz HZVZHRVECLJBCQ-OAQYLSRUSA-N 2 2 362.477 3.685 20 0 FHADLP COc1cccc(-c2csc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)c1 ZINC000894482622 945741842 /nfs/dbraw/zinc/74/18/42/945741842.db2.gz CWINANSDXCCITM-HNNXBMFYSA-N 2 2 354.479 3.542 20 0 FHADLP COc1cccc(-c2csc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)n2)c1 ZINC000894482622 945741845 /nfs/dbraw/zinc/74/18/45/945741845.db2.gz CWINANSDXCCITM-HNNXBMFYSA-N 2 2 354.479 3.542 20 0 FHADLP Fc1ccc2c(c1Cl)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000651719335 945762358 /nfs/dbraw/zinc/76/23/58/945762358.db2.gz QHEVZZXTFWIXKM-DYVFJYSZSA-N 2 2 352.881 3.557 20 0 FHADLP c1cn(Cc2cccc(C[NH2+]Cc3conc3Cc3ccccc3)c2)c[nH+]1 ZINC000550096447 945840911 /nfs/dbraw/zinc/84/09/11/945840911.db2.gz KNVZQJNEBULFRC-UHFFFAOYSA-N 2 2 358.445 3.800 20 0 FHADLP COC[C@H](CC(C)(C)C)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000651791061 945929140 /nfs/dbraw/zinc/92/91/40/945929140.db2.gz WTCUGLMMKASPMJ-PCKAHOCUSA-N 2 2 350.469 3.833 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)n2c1CCCC2 ZINC000281937565 945951480 /nfs/dbraw/zinc/95/14/80/945951480.db2.gz DSXPCJXDUZTVIE-KRWDZBQOSA-N 2 2 363.465 3.649 20 0 FHADLP c1[nH+]c([C@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)n2c1CCCC2 ZINC000281937565 945951484 /nfs/dbraw/zinc/95/14/84/945951484.db2.gz DSXPCJXDUZTVIE-KRWDZBQOSA-N 2 2 363.465 3.649 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000301821012 945986239 /nfs/dbraw/zinc/98/62/39/945986239.db2.gz JVACTUVLNYVVBP-INIZCTEOSA-N 2 2 351.498 3.936 20 0 FHADLP CC(C)c1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc(C(C)C)[nH+]1 ZINC000301855318 946005569 /nfs/dbraw/zinc/00/55/69/946005569.db2.gz HYKIRPSHHXNEAB-RBUKOAKNSA-N 2 2 360.546 3.903 20 0 FHADLP C[N@@H+]1CCC[C@H](CNc2nc(N)c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301914574 946035196 /nfs/dbraw/zinc/03/51/96/946035196.db2.gz UXORBTFLOOWPGS-CXAGYDPISA-N 2 2 353.495 3.769 20 0 FHADLP C[N@H+]1CCC[C@H](CNc2nc(N)c3ccccc3[nH+]2)[C@@H]1c1cccs1 ZINC000301914574 946035201 /nfs/dbraw/zinc/03/52/01/946035201.db2.gz UXORBTFLOOWPGS-CXAGYDPISA-N 2 2 353.495 3.769 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189204 946051392 /nfs/dbraw/zinc/05/13/92/946051392.db2.gz FQGUBUGISKTQBL-ZJOUEHCJSA-N 2 2 371.569 3.623 20 0 FHADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000444189204 946051404 /nfs/dbraw/zinc/05/14/04/946051404.db2.gz FQGUBUGISKTQBL-ZJOUEHCJSA-N 2 2 371.569 3.623 20 0 FHADLP O=C([C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214407 946081264 /nfs/dbraw/zinc/08/12/64/946081264.db2.gz PJIUJOZRRSDGJU-RBBKRZOGSA-N 2 2 369.553 3.548 20 0 FHADLP O=C([C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214407 946081277 /nfs/dbraw/zinc/08/12/77/946081277.db2.gz PJIUJOZRRSDGJU-RBBKRZOGSA-N 2 2 369.553 3.548 20 0 FHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1)c1ccccc1 ZINC000661454519 946132590 /nfs/dbraw/zinc/13/25/90/946132590.db2.gz JGYUYKKUWXZBEB-NJNPRVFISA-N 2 2 368.521 3.932 20 0 FHADLP C[C@@H](Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1)c1ccccc1 ZINC000661454519 946132596 /nfs/dbraw/zinc/13/25/96/946132596.db2.gz JGYUYKKUWXZBEB-NJNPRVFISA-N 2 2 368.521 3.932 20 0 FHADLP Cc1[nH+]c2ccccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000302156825 946150803 /nfs/dbraw/zinc/15/08/03/946150803.db2.gz NAVGXGQBORXZSA-YOFSQIOKSA-N 3 2 364.537 3.599 20 0 FHADLP Cc1[nH+]c2ccccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000302156825 946150807 /nfs/dbraw/zinc/15/08/07/946150807.db2.gz NAVGXGQBORXZSA-YOFSQIOKSA-N 3 2 364.537 3.599 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533423 946239336 /nfs/dbraw/zinc/23/93/36/946239336.db2.gz BCXCCMQFNMQTCV-CQSZACIVSA-N 2 2 353.392 3.618 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1nccc(C(F)(F)F)n1 ZINC000661533423 946239345 /nfs/dbraw/zinc/23/93/45/946239345.db2.gz BCXCCMQFNMQTCV-CQSZACIVSA-N 2 2 353.392 3.618 20 0 FHADLP CC[C@H](C[NH2+]CC1=Cc2cc(Br)ccc2OC1)[NH+]1CCCC1 ZINC000520205977 946266142 /nfs/dbraw/zinc/26/61/42/946266142.db2.gz MIISCTGRJUCLFP-QGZVFWFLSA-N 2 2 365.315 3.689 20 0 FHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302795339 946327320 /nfs/dbraw/zinc/32/73/20/946327320.db2.gz OOCPYTRXLQAMTE-UHFFFAOYSA-N 2 2 365.525 3.921 20 0 FHADLP CC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000302795339 946327333 /nfs/dbraw/zinc/32/73/33/946327333.db2.gz OOCPYTRXLQAMTE-UHFFFAOYSA-N 2 2 365.525 3.921 20 0 FHADLP c1cc(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)n(-c2cc[nH+]cc2)n1 ZINC000896943534 946345478 /nfs/dbraw/zinc/34/54/78/946345478.db2.gz WQLDAPJJBIKHRD-UHFFFAOYSA-N 2 2 365.506 3.592 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251481 946346101 /nfs/dbraw/zinc/34/61/01/946346101.db2.gz SYOSIHUGCSVBGU-QGPMSJSTSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251481 946346109 /nfs/dbraw/zinc/34/61/09/946346109.db2.gz SYOSIHUGCSVBGU-QGPMSJSTSA-N 2 2 373.324 3.556 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056902 946531647 /nfs/dbraw/zinc/53/16/47/946531647.db2.gz JRFPRGJJOAETEZ-XJEPWFOTSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056902 946531649 /nfs/dbraw/zinc/53/16/49/946531649.db2.gz JRFPRGJJOAETEZ-XJEPWFOTSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056902 946531655 /nfs/dbraw/zinc/53/16/55/946531655.db2.gz JRFPRGJJOAETEZ-XJEPWFOTSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[NH+](C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056902 946531662 /nfs/dbraw/zinc/53/16/62/946531662.db2.gz JRFPRGJJOAETEZ-XJEPWFOTSA-N 2 2 360.542 3.948 20 0 FHADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000441380473 946536839 /nfs/dbraw/zinc/53/68/39/946536839.db2.gz GCAYOJSEVZALGX-WIYYLYMNSA-N 2 2 368.525 3.668 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)NC2CCCCC2)c(C)c1 ZINC000441380469 946537144 /nfs/dbraw/zinc/53/71/44/946537144.db2.gz GCAYOJSEVZALGX-NQIIRXRSSA-N 2 2 368.525 3.668 20 0 FHADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000192700165 946611645 /nfs/dbraw/zinc/61/16/45/946611645.db2.gz MFRGCHDADFOELR-KRWDZBQOSA-N 2 2 360.498 3.606 20 0 FHADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000475545066 946615314 /nfs/dbraw/zinc/61/53/14/946615314.db2.gz CVFKYWZEHARUHC-UHFFFAOYSA-N 2 2 368.477 3.840 20 0 FHADLP NC(=O)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000112708718 946729560 /nfs/dbraw/zinc/72/95/60/946729560.db2.gz GZZWHJZQROBHCX-NRFANRHFSA-N 2 2 369.484 3.518 20 0 FHADLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1OCC(F)(F)F ZINC000475580881 946746221 /nfs/dbraw/zinc/74/62/21/946746221.db2.gz MEORAKMRGFPNGZ-UHFFFAOYSA-N 2 2 372.431 3.743 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877819 946813048 /nfs/dbraw/zinc/81/30/48/946813048.db2.gz ZMNQRIACFCTGGG-XPWALMASSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CCC[C@@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877819 946813057 /nfs/dbraw/zinc/81/30/57/946813057.db2.gz ZMNQRIACFCTGGG-XPWALMASSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877819 946813064 /nfs/dbraw/zinc/81/30/64/946813064.db2.gz ZMNQRIACFCTGGG-XPWALMASSA-N 2 2 372.553 3.559 20 0 FHADLP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)C2)cc1 ZINC000661877819 946813073 /nfs/dbraw/zinc/81/30/73/946813073.db2.gz ZMNQRIACFCTGGG-XPWALMASSA-N 2 2 372.553 3.559 20 0 FHADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288829 946827814 /nfs/dbraw/zinc/82/78/14/946827814.db2.gz URQOMMPYHKEORU-WMZOPIPTSA-N 2 2 355.551 3.880 20 0 FHADLP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc2C1 ZINC000475288829 946827823 /nfs/dbraw/zinc/82/78/23/946827823.db2.gz URQOMMPYHKEORU-WMZOPIPTSA-N 2 2 355.551 3.880 20 0 FHADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)CC1 ZINC000535507876 946890763 /nfs/dbraw/zinc/89/07/63/946890763.db2.gz MRWMWCUWSKRODB-KDOFPFPSSA-N 2 2 357.325 3.663 20 0 FHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000523138158 946891438 /nfs/dbraw/zinc/89/14/38/946891438.db2.gz GCYQFEDETNZZFO-LJQANCHMSA-N 2 2 373.585 3.788 20 0 FHADLP CC(C)c1ccc([C@H](C)CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000523138158 946891450 /nfs/dbraw/zinc/89/14/50/946891450.db2.gz GCYQFEDETNZZFO-LJQANCHMSA-N 2 2 373.585 3.788 20 0 FHADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)CCC2 ZINC000192972050 947128087 /nfs/dbraw/zinc/12/80/87/947128087.db2.gz JLXSQMNHHFFHCO-MRXNPFEDSA-N 2 2 362.514 3.995 20 0 FHADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000248498564 947299461 /nfs/dbraw/zinc/29/94/61/947299461.db2.gz MHGCVAUMAGCUCE-DAYGRLMNSA-N 2 2 354.922 3.833 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)[C@@H](C)C1 ZINC000248498564 947299472 /nfs/dbraw/zinc/29/94/72/947299472.db2.gz MHGCVAUMAGCUCE-DAYGRLMNSA-N 2 2 354.922 3.833 20 0 FHADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)cc1Cl ZINC000662290188 947711523 /nfs/dbraw/zinc/71/15/23/947711523.db2.gz MMJAJOHMMCNPDR-CQSZACIVSA-N 2 2 370.324 3.644 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365158 947763498 /nfs/dbraw/zinc/76/34/98/947763498.db2.gz PTCKEXOJDYDFDB-KBXCAEBGSA-N 2 2 370.522 3.548 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C[C@H]3[NH2+]Cc4ccccc43)n2)C1 ZINC000662365158 947763502 /nfs/dbraw/zinc/76/35/02/947763502.db2.gz PTCKEXOJDYDFDB-KBXCAEBGSA-N 2 2 370.522 3.548 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC000441484656 947946929 /nfs/dbraw/zinc/94/69/29/947946929.db2.gz ZCDCEFFOGVHSRA-CTNGQTDRSA-N 2 2 368.525 3.622 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119280 /nfs/dbraw/zinc/11/92/80/948119280.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119286 /nfs/dbraw/zinc/11/92/86/948119286.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119289 /nfs/dbraw/zinc/11/92/89/948119289.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 3 2 363.594 3.610 20 0 FHADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001167825128 948119290 /nfs/dbraw/zinc/11/92/90/948119290.db2.gz REEUMSFYJNSTEP-RBUKOAKNSA-N 3 2 363.594 3.610 20 0 FHADLP FC1(F)CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001168002154 948221656 /nfs/dbraw/zinc/22/16/56/948221656.db2.gz OALLXCFOMGYRSK-JIRNRHONSA-N 2 2 367.528 3.587 20 0 FHADLP FC1(F)CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@H]1[NH+]1CCCCC1 ZINC001168002154 948221664 /nfs/dbraw/zinc/22/16/64/948221664.db2.gz OALLXCFOMGYRSK-JIRNRHONSA-N 2 2 367.528 3.587 20 0 FHADLP c1coc(-c2cc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)no2)c1 ZINC000278955202 948334753 /nfs/dbraw/zinc/33/47/53/948334753.db2.gz WFNWAWWDVAGFEV-UHFFFAOYSA-N 2 2 352.438 3.847 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352107 948355910 /nfs/dbraw/zinc/35/59/10/948355910.db2.gz YYVHQJFFBAMJTN-IPMKNSEASA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152352107 948355915 /nfs/dbraw/zinc/35/59/15/948355915.db2.gz YYVHQJFFBAMJTN-IPMKNSEASA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152352107 948355923 /nfs/dbraw/zinc/35/59/23/948355923.db2.gz YYVHQJFFBAMJTN-IPMKNSEASA-N 2 2 367.537 3.679 20 0 FHADLP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152352107 948355930 /nfs/dbraw/zinc/35/59/30/948355930.db2.gz YYVHQJFFBAMJTN-IPMKNSEASA-N 2 2 367.537 3.679 20 0 FHADLP COc1cc2cc[nH+]c(N3CCC[N@@H+](C4CCCC4)CC3)c2cc1OC ZINC000663645163 948422112 /nfs/dbraw/zinc/42/21/12/948422112.db2.gz SVNXJUPUQFYMQO-UHFFFAOYSA-N 2 2 355.482 3.707 20 0 FHADLP COc1cc2cc[nH+]c(N3CCC[N@H+](C4CCCC4)CC3)c2cc1OC ZINC000663645163 948422116 /nfs/dbraw/zinc/42/21/16/948422116.db2.gz SVNXJUPUQFYMQO-UHFFFAOYSA-N 2 2 355.482 3.707 20 0 FHADLP COc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(Br)c1 ZINC000512135723 948522368 /nfs/dbraw/zinc/52/23/68/948522368.db2.gz NXRAOXIAAXTFPK-UHFFFAOYSA-N 2 2 364.287 3.835 20 0 FHADLP CC(C)(C)OC(=O)N1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895110373 948641106 /nfs/dbraw/zinc/64/11/06/948641106.db2.gz JUKCFMYVAANSGM-QAQDUYKDSA-N 2 2 374.529 3.557 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2csc(-c3ccccn3)n2)c2cccc[nH+]2)CC1 ZINC000895112494 948697267 /nfs/dbraw/zinc/69/72/67/948697267.db2.gz WTJMTRLFCMLCLS-JCNLHEQBSA-N 2 2 365.506 3.877 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621458 223119085 /nfs/dbraw/zinc/11/90/85/223119085.db2.gz AMPKFNHBVUVANZ-KNBMTAEXSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621458 223119088 /nfs/dbraw/zinc/11/90/88/223119088.db2.gz AMPKFNHBVUVANZ-KNBMTAEXSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328621458 223119089 /nfs/dbraw/zinc/11/90/89/223119089.db2.gz AMPKFNHBVUVANZ-KNBMTAEXSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328621458 223119092 /nfs/dbraw/zinc/11/90/92/223119092.db2.gz AMPKFNHBVUVANZ-KNBMTAEXSA-N 2 2 350.466 3.909 20 0 FHADLP Cc1cccc(N2CC[NH+](CCCNc3cc[nH+]c(C(C)C)n3)CC2)c1 ZINC000520322021 517343138 /nfs/dbraw/zinc/34/31/38/517343138.db2.gz WYOVPNYSOWDZIP-UHFFFAOYSA-N 2 2 353.514 3.533 20 0 FHADLP CC[NH+](CC)Cc1ccc(C(=O)NCCNc2ccc3ccccc3[nH+]2)o1 ZINC000608368891 519952730 /nfs/dbraw/zinc/95/27/30/519952730.db2.gz GATJOAHKFGMWGP-UHFFFAOYSA-N 2 2 366.465 3.512 20 0 FHADLP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)on1 ZINC000602514281 567989721 /nfs/dbraw/zinc/98/97/21/567989721.db2.gz IULAANQOZUDPTM-MRXNPFEDSA-N 2 2 371.481 3.516 20 0 FHADLP CCOC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)on1 ZINC000602514281 567989722 /nfs/dbraw/zinc/98/97/22/567989722.db2.gz IULAANQOZUDPTM-MRXNPFEDSA-N 2 2 371.481 3.516 20 0 FHADLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ncc(Br)cc1F ZINC000186939036 568025139 /nfs/dbraw/zinc/02/51/39/568025139.db2.gz HCMLIIVZBXGBDH-SNVBAGLBSA-N 2 2 358.299 3.943 20 0 FHADLP Cc1cc(N2CCC([NH+](C)C)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000604881590 568383805 /nfs/dbraw/zinc/38/38/05/568383805.db2.gz PUMTXMYXQKPSOA-UHFFFAOYSA-N 2 2 353.388 3.972 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365312764 568488912 /nfs/dbraw/zinc/48/89/12/568488912.db2.gz AAMXUSLLFXWZDG-IAQYHMDHSA-N 2 2 373.353 3.961 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3csc(Cl)c3Cl)CCC[N@H+]2C)cn1 ZINC000365312764 568488913 /nfs/dbraw/zinc/48/89/13/568488913.db2.gz AAMXUSLLFXWZDG-IAQYHMDHSA-N 2 2 373.353 3.961 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000643292227 568596190 /nfs/dbraw/zinc/59/61/90/568596190.db2.gz RMVBTVDVPXCXFO-GUDVDZBRSA-N 2 2 372.944 3.772 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1C ZINC000643292227 568596191 /nfs/dbraw/zinc/59/61/91/568596191.db2.gz RMVBTVDVPXCXFO-GUDVDZBRSA-N 2 2 372.944 3.772 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000643292225 568596220 /nfs/dbraw/zinc/59/62/20/568596220.db2.gz RMVBTVDVPXCXFO-CEXWTWQISA-N 2 2 372.944 3.772 20 0 FHADLP Cc1c(Cl)c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1C ZINC000643292225 568596222 /nfs/dbraw/zinc/59/62/22/568596222.db2.gz RMVBTVDVPXCXFO-CEXWTWQISA-N 2 2 372.944 3.772 20 0 FHADLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164795219 721504217 /nfs/dbraw/zinc/50/42/17/721504217.db2.gz HIHUVAMYSIPUSS-UHFFFAOYSA-N 2 2 371.916 3.593 20 0 FHADLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(Cl)c(N)[nH+]1)CC2 ZINC001164795219 721504224 /nfs/dbraw/zinc/50/42/24/721504224.db2.gz HIHUVAMYSIPUSS-UHFFFAOYSA-N 2 2 371.916 3.593 20 0 FHADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C)c(C)[nH+]2)CC1 ZINC001165019230 721840436 /nfs/dbraw/zinc/84/04/36/721840436.db2.gz AKHZCTZQICEQPD-UHFFFAOYSA-N 2 2 369.509 3.816 20 0 FHADLP Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC001164955435 722022909 /nfs/dbraw/zinc/02/29/09/722022909.db2.gz GSHJNFQSTWKVCE-UHFFFAOYSA-N 2 2 363.509 3.550 20 0 FHADLP Cc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc(C2CC2)[nH+]1 ZINC001164955435 722022912 /nfs/dbraw/zinc/02/29/12/722022912.db2.gz GSHJNFQSTWKVCE-UHFFFAOYSA-N 2 2 363.509 3.550 20 0 FHADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992585 936349286 /nfs/dbraw/zinc/34/92/86/936349286.db2.gz HCHDMYDMAVSJSP-SKDRFNHKSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992585 936349287 /nfs/dbraw/zinc/34/92/87/936349287.db2.gz HCHDMYDMAVSJSP-SKDRFNHKSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992585 936349291 /nfs/dbraw/zinc/34/92/91/936349291.db2.gz HCHDMYDMAVSJSP-SKDRFNHKSA-N 2 2 351.741 3.936 20 0 FHADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)c(Cl)s1 ZINC000582992585 936349293 /nfs/dbraw/zinc/34/92/93/936349293.db2.gz HCHDMYDMAVSJSP-SKDRFNHKSA-N 2 2 351.741 3.936 20 0 FHADLP CC(C)(C)n1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000583056725 937084213 /nfs/dbraw/zinc/08/42/13/937084213.db2.gz SROCYOTUGHCGBH-LEWJYISDSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000583056725 937084217 /nfs/dbraw/zinc/08/42/17/937084217.db2.gz SROCYOTUGHCGBH-LEWJYISDSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000583056725 937084221 /nfs/dbraw/zinc/08/42/21/937084221.db2.gz SROCYOTUGHCGBH-LEWJYISDSA-N 2 2 352.526 3.592 20 0 FHADLP CC(C)(C)n1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000583056725 937084222 /nfs/dbraw/zinc/08/42/22/937084222.db2.gz SROCYOTUGHCGBH-LEWJYISDSA-N 2 2 352.526 3.592 20 0 FHADLP C[C@@H]([NH2+]Cc1cccc(CN2CCCC2=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153940093 927590639 /nfs/dbraw/zinc/59/06/39/927590639.db2.gz UINLYJRWGLVBSJ-GOSISDBHSA-N 2 2 374.488 3.846 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471164928 928406488 /nfs/dbraw/zinc/40/64/88/928406488.db2.gz KCLDUOHPFNBCLB-IEBWSBKVSA-N 2 2 371.525 3.635 20 0 FHADLP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000471164928 928406500 /nfs/dbraw/zinc/40/65/00/928406500.db2.gz KCLDUOHPFNBCLB-IEBWSBKVSA-N 2 2 371.525 3.635 20 0 FHADLP Clc1cc(Br)cc2c1CC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000583235137 937265571 /nfs/dbraw/zinc/26/55/71/937265571.db2.gz YHPIOIOCZMQMNN-IINYFYTJSA-N 2 2 366.690 3.960 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000471187469 928744628 /nfs/dbraw/zinc/74/46/28/928744628.db2.gz QMYQATUZWWCPCN-OFQRWUPVSA-N 2 2 360.889 3.508 20 0 FHADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Cl)cc1 ZINC000471187469 928744640 /nfs/dbraw/zinc/74/46/40/928744640.db2.gz QMYQATUZWWCPCN-OFQRWUPVSA-N 2 2 360.889 3.508 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000471221844 929249370 /nfs/dbraw/zinc/24/93/70/929249370.db2.gz YHISDJUJQHVPDY-HMFYCAOWSA-N 2 2 367.537 3.679 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000471221844 929249387 /nfs/dbraw/zinc/24/93/87/929249387.db2.gz YHISDJUJQHVPDY-HMFYCAOWSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000471221844 929249397 /nfs/dbraw/zinc/24/93/97/929249397.db2.gz YHISDJUJQHVPDY-HMFYCAOWSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000471221844 929249410 /nfs/dbraw/zinc/24/94/10/929249410.db2.gz YHISDJUJQHVPDY-HMFYCAOWSA-N 2 2 367.537 3.679 20 0 FHADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1F ZINC000647284872 937325737 /nfs/dbraw/zinc/32/57/37/937325737.db2.gz NWSNSFXKOMOWTM-AWEZNQCLSA-N 2 2 353.445 3.703 20 0 FHADLP O=c1[nH]c2ccccc2cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548792233 937344684 /nfs/dbraw/zinc/34/46/84/937344684.db2.gz LKZWQJFYIPQKKH-KRWDZBQOSA-N 2 2 362.477 3.853 20 0 FHADLP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000548792233 937344688 /nfs/dbraw/zinc/34/46/88/937344688.db2.gz LKZWQJFYIPQKKH-KRWDZBQOSA-N 2 2 362.477 3.853 20 0 FHADLP COc1ccc(-c2ccccc2)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751876 937353588 /nfs/dbraw/zinc/35/35/88/937353588.db2.gz UXSYGJGNQYOTEC-QFIPXVFZSA-N 2 2 366.505 3.705 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580602561 930913067 /nfs/dbraw/zinc/91/30/67/930913067.db2.gz KEPFQRMRKSTDTH-JWTNVVGKSA-N 2 2 374.479 3.824 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580602561 930913078 /nfs/dbraw/zinc/91/30/78/930913078.db2.gz KEPFQRMRKSTDTH-JWTNVVGKSA-N 2 2 374.479 3.824 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580602561 930913084 /nfs/dbraw/zinc/91/30/84/930913084.db2.gz KEPFQRMRKSTDTH-JWTNVVGKSA-N 2 2 374.479 3.824 20 0 FHADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580602561 930913092 /nfs/dbraw/zinc/91/30/92/930913092.db2.gz KEPFQRMRKSTDTH-JWTNVVGKSA-N 2 2 374.479 3.824 20 0 FHADLP CC(C)[N@@H+]1CCO[C@H](c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)C1 ZINC000580608609 930919676 /nfs/dbraw/zinc/91/96/76/930919676.db2.gz PSJBJAPMEHNODX-IBGZPJMESA-N 2 2 370.497 3.504 20 0 FHADLP CC(C)[N@H+]1CCO[C@H](c2noc(-c3ccc(C[NH+]4CCCCC4)cc3)n2)C1 ZINC000580608609 930919682 /nfs/dbraw/zinc/91/96/82/930919682.db2.gz PSJBJAPMEHNODX-IBGZPJMESA-N 2 2 370.497 3.504 20 0 FHADLP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCn1cc[nH+]c1 ZINC000061014651 931310918 /nfs/dbraw/zinc/31/09/18/931310918.db2.gz KTDDKVLPVDFLKP-UHFFFAOYSA-N 2 2 364.280 3.533 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313114750 931737952 /nfs/dbraw/zinc/73/79/52/931737952.db2.gz ZPUSOYXDBWHGJP-PZJWPPBQSA-N 2 2 360.505 3.873 20 0 FHADLP C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000313114750 931737959 /nfs/dbraw/zinc/73/79/59/931737959.db2.gz ZPUSOYXDBWHGJP-PZJWPPBQSA-N 2 2 360.505 3.873 20 0 FHADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1)C1CC1 ZINC000430575571 931930534 /nfs/dbraw/zinc/93/05/34/931930534.db2.gz VKLZYECGWWLYDU-FQEVSTJZSA-N 2 2 373.884 3.788 20 0 FHADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000430578658 931939409 /nfs/dbraw/zinc/93/94/09/931939409.db2.gz XGUOGAREVHZSHH-GFCCVEGCSA-N 2 2 358.313 3.642 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000430583047 931950762 /nfs/dbraw/zinc/95/07/62/931950762.db2.gz RIVFJVJADNTMHP-SIKLNZKXSA-N 2 2 359.558 3.611 20 0 FHADLP CCOc1ccc(CCC2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000430587907 931965315 /nfs/dbraw/zinc/96/53/15/931965315.db2.gz BIAWDKFGKXBBLR-UHFFFAOYSA-N 2 2 372.513 3.507 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432002 932069350 /nfs/dbraw/zinc/06/93/50/932069350.db2.gz FQJMWSPLOKQFGJ-RYQLBKOJSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432002 932069353 /nfs/dbraw/zinc/06/93/53/932069353.db2.gz FQJMWSPLOKQFGJ-RYQLBKOJSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581432002 932069356 /nfs/dbraw/zinc/06/93/56/932069356.db2.gz FQJMWSPLOKQFGJ-RYQLBKOJSA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581432002 932069359 /nfs/dbraw/zinc/06/93/59/932069359.db2.gz FQJMWSPLOKQFGJ-RYQLBKOJSA-N 2 2 365.587 3.504 20 0 FHADLP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(F)c1 ZINC000581735727 932578397 /nfs/dbraw/zinc/57/83/97/932578397.db2.gz ABRNYDPBRIJQLH-SFHVURJKSA-N 2 2 363.864 3.782 20 0 FHADLP CN(C(=O)/C=C/C1CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575247 932702445 /nfs/dbraw/zinc/70/24/45/932702445.db2.gz PBDTWCYIXDCXED-DDVDASKDSA-N 2 2 361.574 3.528 20 0 FHADLP CN(C(=O)/C=C/C1CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575247 932702448 /nfs/dbraw/zinc/70/24/48/932702448.db2.gz PBDTWCYIXDCXED-DDVDASKDSA-N 2 2 361.574 3.528 20 0 FHADLP CCCOc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090577692 933685184 /nfs/dbraw/zinc/68/51/84/933685184.db2.gz NOOKHNZMSXOZSL-CVDCTZTESA-N 2 2 367.537 3.913 20 0 FHADLP CCCOc1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000090577692 933685190 /nfs/dbraw/zinc/68/51/90/933685190.db2.gz NOOKHNZMSXOZSL-CVDCTZTESA-N 2 2 367.537 3.913 20 0 FHADLP CCC[N@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)C1CC[NH2+]CC1 ZINC000431070984 933781738 /nfs/dbraw/zinc/78/17/38/933781738.db2.gz NHLHFFJEHOSELZ-UHFFFAOYSA-N 2 2 372.538 3.521 20 0 FHADLP CCC[N@@H+](CC(=O)Nc1cccc(-c2csc(C)n2)c1)C1CC[NH2+]CC1 ZINC000431070984 933781750 /nfs/dbraw/zinc/78/17/50/933781750.db2.gz NHLHFFJEHOSELZ-UHFFFAOYSA-N 2 2 372.538 3.521 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587647 934100208 /nfs/dbraw/zinc/10/02/08/934100208.db2.gz OXYJDMQVBRVKCR-GOSISDBHSA-N 2 2 356.514 3.922 20 0 FHADLP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)o1 ZINC000092587647 934100214 /nfs/dbraw/zinc/10/02/14/934100214.db2.gz OXYJDMQVBRVKCR-GOSISDBHSA-N 2 2 356.514 3.922 20 0 FHADLP c1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000510929982 934178969 /nfs/dbraw/zinc/17/89/69/934178969.db2.gz PVXFQIJATDHVHW-XPWALMASSA-N 2 2 350.506 3.813 20 0 FHADLP c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000510929982 934178973 /nfs/dbraw/zinc/17/89/73/934178973.db2.gz PVXFQIJATDHVHW-XPWALMASSA-N 2 2 350.506 3.813 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000535808507 934415843 /nfs/dbraw/zinc/41/58/43/934415843.db2.gz JJKJWICMLNCOSY-FYYLOGMGSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000535808507 934415850 /nfs/dbraw/zinc/41/58/50/934415850.db2.gz JJKJWICMLNCOSY-FYYLOGMGSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535808507 934415857 /nfs/dbraw/zinc/41/58/57/934415857.db2.gz JJKJWICMLNCOSY-FYYLOGMGSA-N 2 2 366.553 3.773 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000535808507 934415861 /nfs/dbraw/zinc/41/58/61/934415861.db2.gz JJKJWICMLNCOSY-FYYLOGMGSA-N 2 2 366.553 3.773 20 0 FHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328733 934656282 /nfs/dbraw/zinc/65/62/82/934656282.db2.gz XNAQJLXVNRASPR-VLCRHTCISA-N 2 2 371.569 3.586 20 0 FHADLP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000181328733 934656285 /nfs/dbraw/zinc/65/62/85/934656285.db2.gz XNAQJLXVNRASPR-VLCRHTCISA-N 2 2 371.569 3.586 20 0 FHADLP CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684683940 934942128 /nfs/dbraw/zinc/94/21/28/934942128.db2.gz UYVYCHYKBOVWGU-HXUWFJFHSA-N 2 2 356.514 3.571 20 0 FHADLP CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684683940 934942129 /nfs/dbraw/zinc/94/21/29/934942129.db2.gz UYVYCHYKBOVWGU-HXUWFJFHSA-N 2 2 356.514 3.571 20 0 FHADLP Clc1ccc(OCc2nc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cs2)cc1 ZINC000548624652 935050223 /nfs/dbraw/zinc/05/02/23/935050223.db2.gz UUYCSTMBKUJVOV-AWEZNQCLSA-N 2 2 374.897 3.677 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657312957 935122002 /nfs/dbraw/zinc/12/20/02/935122002.db2.gz DTWZPHRPJMQWKG-UHFFFAOYSA-N 2 2 366.431 3.502 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000507245447 945078918 /nfs/dbraw/zinc/07/89/18/945078918.db2.gz AQQDHTMKGMRKBQ-ZNDGOPKYSA-N 2 2 371.569 3.718 20 0 FHADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000507245447 945078928 /nfs/dbraw/zinc/07/89/28/945078928.db2.gz AQQDHTMKGMRKBQ-ZNDGOPKYSA-N 2 2 371.569 3.718 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000548690281 935320565 /nfs/dbraw/zinc/32/05/65/935320565.db2.gz RCHMFOQNSPANHY-HNNXBMFYSA-N 2 2 367.522 3.848 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000657388430 935506477 /nfs/dbraw/zinc/50/64/77/935506477.db2.gz KZROVMDFROGLHV-GOEBONIOSA-N 2 2 366.431 3.582 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2c(C(F)(F)F)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000657388430 935506479 /nfs/dbraw/zinc/50/64/79/935506479.db2.gz KZROVMDFROGLHV-GOEBONIOSA-N 2 2 366.431 3.582 20 0 FHADLP CSc1ccc([C@@H](CNc2cc(N3CCCC3)[nH+]cn2)[NH+](C)C)cc1 ZINC000582433128 935696887 /nfs/dbraw/zinc/69/68/87/935696887.db2.gz NJCJEXDVNAGXGQ-QGZVFWFLSA-N 2 2 357.527 3.514 20 0 FHADLP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000657440002 935755049 /nfs/dbraw/zinc/75/50/49/935755049.db2.gz JXYAQYDEBXKWNI-GOSISDBHSA-N 2 2 369.415 3.845 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000431429258 935782128 /nfs/dbraw/zinc/78/21/28/935782128.db2.gz YJVODKYUTSXARR-WMZOPIPTSA-N 2 2 360.383 3.848 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000431429258 935782130 /nfs/dbraw/zinc/78/21/30/935782130.db2.gz YJVODKYUTSXARR-WMZOPIPTSA-N 2 2 360.383 3.848 20 0 FHADLP c1coc(C2=CCC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000511146865 935791106 /nfs/dbraw/zinc/79/11/06/935791106.db2.gz ZXANKMZUIJZQRM-UHFFFAOYSA-N 2 2 351.494 3.581 20 0 FHADLP c1coc(C2=CCC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000511146865 935791109 /nfs/dbraw/zinc/79/11/09/935791109.db2.gz ZXANKMZUIJZQRM-UHFFFAOYSA-N 2 2 351.494 3.581 20 0 FHADLP Fc1ccc(COc2ccccc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(F)c1 ZINC000657468770 935834396 /nfs/dbraw/zinc/83/43/96/935834396.db2.gz CGWOLDNDSCBCSV-QGZVFWFLSA-N 2 2 369.415 3.914 20 0 FHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000511168996 935849172 /nfs/dbraw/zinc/84/91/72/935849172.db2.gz JJNBEDROJUOFDS-OALUTQOASA-N 2 2 368.521 3.813 20 0 FHADLP CCc1nc2c(s1)[C@@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CCC2 ZINC000152852922 935871870 /nfs/dbraw/zinc/87/18/70/935871870.db2.gz HHDRATIZGNBEIY-SFHVURJKSA-N 2 2 370.566 3.775 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)c1ccccc1 ZINC000684958470 935904152 /nfs/dbraw/zinc/90/41/52/935904152.db2.gz ZYTNVZIJZJGMMJ-MHTWAQMVSA-N 2 2 353.510 3.889 20 0 FHADLP COCc1cccc(OCC2(C[N@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)CCC2)c1 ZINC000582674710 935929503 /nfs/dbraw/zinc/92/95/03/935929503.db2.gz VTNWSWOIASJCGM-VQTJNVASSA-N 2 2 358.526 3.551 20 0 FHADLP COCc1cccc(OCC2(C[N@@H+]3[C@@H]4CC[C@H]3CC[NH+](C)C4)CCC2)c1 ZINC000582674710 935929506 /nfs/dbraw/zinc/92/95/06/935929506.db2.gz VTNWSWOIASJCGM-VQTJNVASSA-N 2 2 358.526 3.551 20 0 FHADLP COCc1cccc(OCC2(C[NH+]3[C@@H]4CC[C@H]3CC[N@@H+](C)C4)CCC2)c1 ZINC000582674710 935929510 /nfs/dbraw/zinc/92/95/10/935929510.db2.gz VTNWSWOIASJCGM-VQTJNVASSA-N 2 2 358.526 3.551 20 0 FHADLP COCc1cccc(OCC2(C[NH+]3[C@@H]4CC[C@H]3CC[N@H+](C)C4)CCC2)c1 ZINC000582674710 935929512 /nfs/dbraw/zinc/92/95/12/935929512.db2.gz VTNWSWOIASJCGM-VQTJNVASSA-N 2 2 358.526 3.551 20 0 FHADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc(C)c1OCc1ccccn1 ZINC000117022724 935961325 /nfs/dbraw/zinc/96/13/25/935961325.db2.gz SPDQAXGYJZIYKF-GOSISDBHSA-N 2 2 350.466 3.652 20 0 FHADLP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000582807283 936142930 /nfs/dbraw/zinc/14/29/30/936142930.db2.gz AZYASLGCEHKAFO-LJQANCHMSA-N 2 2 351.425 3.856 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)c1ccccc1 ZINC000657648461 936151486 /nfs/dbraw/zinc/15/14/86/936151486.db2.gz LENKQMYZMDFZAA-MSOLQXFVSA-N 2 2 368.506 3.802 20 0 FHADLP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657662325 936182800 /nfs/dbraw/zinc/18/28/00/936182800.db2.gz ANCKRNMQYRDJPV-IBGZPJMESA-N 2 2 350.510 3.584 20 0 FHADLP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657662325 936182801 /nfs/dbraw/zinc/18/28/01/936182801.db2.gz ANCKRNMQYRDJPV-IBGZPJMESA-N 2 2 350.510 3.584 20 0 FHADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1Cl ZINC000161446869 936272869 /nfs/dbraw/zinc/27/28/69/936272869.db2.gz RGQJKIXYSNHVKS-QGZVFWFLSA-N 2 2 366.292 3.680 20 0 FHADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000583455069 938259839 /nfs/dbraw/zinc/25/98/39/938259839.db2.gz MMMWJESUYSRBSB-PKTZIBPZSA-N 2 2 360.505 3.857 20 0 FHADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)C[C@H]1c1ccccc1 ZINC000583455069 938259841 /nfs/dbraw/zinc/25/98/41/938259841.db2.gz MMMWJESUYSRBSB-PKTZIBPZSA-N 2 2 360.505 3.857 20 0 FHADLP COCc1cnc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773594 938310681 /nfs/dbraw/zinc/31/06/81/938310681.db2.gz SYHFNIGMCGNKLG-GOSISDBHSA-N 2 2 371.550 3.681 20 0 FHADLP COCc1cnc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)s1 ZINC000657773594 938310682 /nfs/dbraw/zinc/31/06/82/938310682.db2.gz SYHFNIGMCGNKLG-GOSISDBHSA-N 2 2 371.550 3.681 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630197 938326272 /nfs/dbraw/zinc/32/62/72/938326272.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 2 353.554 3.790 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCCN3C3CC3)CC23CC3)cc1 ZINC000583630197 938326274 /nfs/dbraw/zinc/32/62/74/938326274.db2.gz MYJVYBSWQREMJV-RBBKRZOGSA-N 2 2 353.554 3.790 20 0 FHADLP C[C@H]([NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161821216 938356159 /nfs/dbraw/zinc/35/61/59/938356159.db2.gz AHIWUDWRCGBLGH-KXBFYZLASA-N 2 2 370.497 3.826 20 0 FHADLP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583722137 938378184 /nfs/dbraw/zinc/37/81/84/938378184.db2.gz IYKZGAFXNANSRM-JBAYFQIUSA-N 2 2 368.468 3.780 20 0 FHADLP Cc1cccc2nc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000583819385 938428900 /nfs/dbraw/zinc/42/89/00/938428900.db2.gz GNBKFQAHBYUOQQ-LEWJYISDSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000583819385 938428904 /nfs/dbraw/zinc/42/89/04/938428904.db2.gz GNBKFQAHBYUOQQ-LEWJYISDSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000583819385 938428907 /nfs/dbraw/zinc/42/89/07/938428907.db2.gz GNBKFQAHBYUOQQ-LEWJYISDSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1cccc2nc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cn21 ZINC000583819385 938428909 /nfs/dbraw/zinc/42/89/09/938428909.db2.gz GNBKFQAHBYUOQQ-LEWJYISDSA-N 2 2 360.505 3.597 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)cc2)c1C ZINC000583846132 938449314 /nfs/dbraw/zinc/44/93/14/938449314.db2.gz MBAGGQZFMQZHGF-HXUWFJFHSA-N 2 2 352.482 3.835 20 0 FHADLP Cc1[nH+]cn(-c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cc2)c1C ZINC000583846132 938449315 /nfs/dbraw/zinc/44/93/15/938449315.db2.gz MBAGGQZFMQZHGF-HXUWFJFHSA-N 2 2 352.482 3.835 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247557433 938482429 /nfs/dbraw/zinc/48/24/29/938482429.db2.gz FRJZBSMUAMYNOB-QZTJIDSGSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000247557433 938482430 /nfs/dbraw/zinc/48/24/30/938482430.db2.gz FRJZBSMUAMYNOB-QZTJIDSGSA-N 2 2 354.498 3.726 20 0 FHADLP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC000635351874 938507892 /nfs/dbraw/zinc/50/78/92/938507892.db2.gz ZUZRMGYFRGAXPB-NRFANRHFSA-N 2 2 368.525 3.560 20 0 FHADLP COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151364204 938531489 /nfs/dbraw/zinc/53/14/89/938531489.db2.gz HUWIQAUVDFLNMW-IBGZPJMESA-N 2 2 368.949 3.872 20 0 FHADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cnccc2o1 ZINC000657823270 938572925 /nfs/dbraw/zinc/57/29/25/938572925.db2.gz JZUKRVFWNQJTII-INIZCTEOSA-N 2 2 351.450 3.511 20 0 FHADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c2ccsc2S1 ZINC000151781026 938676004 /nfs/dbraw/zinc/67/60/04/938676004.db2.gz NRAPSRCQAZOQKM-YJLNNSPDSA-N 2 2 374.575 3.682 20 0 FHADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c2ccsc2S1 ZINC000151781026 938676005 /nfs/dbraw/zinc/67/60/05/938676005.db2.gz NRAPSRCQAZOQKM-YJLNNSPDSA-N 2 2 374.575 3.682 20 0 FHADLP CCOC1CCC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000657841617 938700443 /nfs/dbraw/zinc/70/04/43/938700443.db2.gz PVMJKZWWNUZRQI-UHFFFAOYSA-N 2 2 373.585 3.522 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc2cnccc2o1 ZINC000657843272 938707684 /nfs/dbraw/zinc/70/76/84/938707684.db2.gz XXBIVCHXQIQTRF-INIZCTEOSA-N 2 2 351.450 3.511 20 0 FHADLP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959825 938710219 /nfs/dbraw/zinc/71/02/19/938710219.db2.gz SUAWBYXBZKYMQY-CQSZACIVSA-N 2 2 357.845 3.535 20 0 FHADLP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c1 ZINC000080959825 938710222 /nfs/dbraw/zinc/71/02/22/938710222.db2.gz SUAWBYXBZKYMQY-CQSZACIVSA-N 2 2 357.845 3.535 20 0 FHADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000081096864 938720226 /nfs/dbraw/zinc/72/02/26/938720226.db2.gz YHISDJUJQHVPDY-FGSXEWAUSA-N 2 2 367.537 3.679 20 0 FHADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000081096864 938720227 /nfs/dbraw/zinc/72/02/27/938720227.db2.gz YHISDJUJQHVPDY-FGSXEWAUSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000081096864 938720228 /nfs/dbraw/zinc/72/02/28/938720228.db2.gz YHISDJUJQHVPDY-FGSXEWAUSA-N 2 2 367.537 3.679 20 0 FHADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000081096864 938720229 /nfs/dbraw/zinc/72/02/29/938720229.db2.gz YHISDJUJQHVPDY-FGSXEWAUSA-N 2 2 367.537 3.679 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)on1 ZINC000584401104 938820065 /nfs/dbraw/zinc/82/00/65/938820065.db2.gz CJPLVAGDMCMVCC-FQEVSTJZSA-N 2 2 365.477 3.981 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000089512854 938865068 /nfs/dbraw/zinc/86/50/68/938865068.db2.gz RRRFQZPISRKRRN-AWEZNQCLSA-N 2 2 361.921 3.834 20 0 FHADLP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000090919991 938878871 /nfs/dbraw/zinc/87/88/71/938878871.db2.gz FYHBWMGRAXSOMA-UHFFFAOYSA-N 3 2 369.528 3.684 20 0 FHADLP COCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043754 938910155 /nfs/dbraw/zinc/91/01/55/938910155.db2.gz FNDPFYCCDPACCK-KNQAVFIVSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043754 938910160 /nfs/dbraw/zinc/91/01/60/938910160.db2.gz FNDPFYCCDPACCK-KNQAVFIVSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000092043754 938910164 /nfs/dbraw/zinc/91/01/64/938910164.db2.gz FNDPFYCCDPACCK-KNQAVFIVSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000092043754 938910167 /nfs/dbraw/zinc/91/01/67/938910167.db2.gz FNDPFYCCDPACCK-KNQAVFIVSA-N 2 2 354.494 3.913 20 0 FHADLP COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2)c1 ZINC000140773624 938942040 /nfs/dbraw/zinc/94/20/40/938942040.db2.gz DCHQAZFBGDNRDT-INIZCTEOSA-N 2 2 367.449 3.871 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@@H]3CC[N@H+](CC4CC4)C3)cc2cc1OC ZINC000657875645 938964522 /nfs/dbraw/zinc/96/45/22/938964522.db2.gz HQBWFFOWDGRTDA-FOIQADDNSA-N 2 2 354.494 3.992 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@@H]3CC[N@@H+](CC4CC4)C3)cc2cc1OC ZINC000657875645 938964524 /nfs/dbraw/zinc/96/45/24/938964524.db2.gz HQBWFFOWDGRTDA-FOIQADDNSA-N 2 2 354.494 3.992 20 0 FHADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000668740846 938975114 /nfs/dbraw/zinc/97/51/14/938975114.db2.gz LYQMIROTRACLLQ-MRXNPFEDSA-N 2 2 360.498 3.585 20 0 FHADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)C1 ZINC000668740846 938975116 /nfs/dbraw/zinc/97/51/16/938975116.db2.gz LYQMIROTRACLLQ-MRXNPFEDSA-N 2 2 360.498 3.585 20 0 FHADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471272 938989391 /nfs/dbraw/zinc/98/93/91/938989391.db2.gz YMGUKFRUTHUDBZ-QUCCMNQESA-N 2 2 358.917 3.501 20 0 FHADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471272 938989392 /nfs/dbraw/zinc/98/93/92/938989392.db2.gz YMGUKFRUTHUDBZ-QUCCMNQESA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471272 938989393 /nfs/dbraw/zinc/98/93/93/938989393.db2.gz YMGUKFRUTHUDBZ-QUCCMNQESA-N 2 2 358.917 3.501 20 0 FHADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000685471272 938989394 /nfs/dbraw/zinc/98/93/94/938989394.db2.gz YMGUKFRUTHUDBZ-QUCCMNQESA-N 2 2 358.917 3.501 20 0 FHADLP CC(C)C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)n1cc[nH+]c1 ZINC000635573415 938992541 /nfs/dbraw/zinc/99/25/41/938992541.db2.gz GKVUTKMVANJJGR-RXVVDRJESA-N 2 2 368.525 3.812 20 0 FHADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C(F)F)nc1 ZINC000657953371 939011350 /nfs/dbraw/zinc/01/13/50/939011350.db2.gz OMOMPSTUEROABW-BBRMVZONSA-N 2 2 361.440 3.728 20 0 FHADLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3cnc(C(F)(F)F)nc3)CC2)C1 ZINC000658079084 939021173 /nfs/dbraw/zinc/02/11/73/939021173.db2.gz OLRXISCIJMRFJQ-CZUORRHYSA-N 2 2 356.436 3.628 20 0 FHADLP Clc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296128 939101216 /nfs/dbraw/zinc/10/12/16/939101216.db2.gz XPTIJLQCODBVLG-PBHICJAKSA-N 2 2 352.931 3.720 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316413 939110056 /nfs/dbraw/zinc/11/00/56/939110056.db2.gz FTONREXGQFOWOY-MISYRCLQSA-N 2 2 350.510 3.781 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c2nccn21 ZINC000658316413 939110059 /nfs/dbraw/zinc/11/00/59/939110059.db2.gz FTONREXGQFOWOY-MISYRCLQSA-N 2 2 350.510 3.781 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318913 939110650 /nfs/dbraw/zinc/11/06/50/939110650.db2.gz UVNSPIFHXCXOBK-QUCCMNQESA-N 2 2 352.526 3.681 20 0 FHADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1C ZINC000658318913 939110655 /nfs/dbraw/zinc/11/06/55/939110655.db2.gz UVNSPIFHXCXOBK-QUCCMNQESA-N 2 2 352.526 3.681 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@@H+]2C)cn1 ZINC000375788478 939129614 /nfs/dbraw/zinc/12/96/14/939129614.db2.gz AHMYEYVCPMNXOV-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@H+]2C)cn1 ZINC000375788478 939129615 /nfs/dbraw/zinc/12/96/15/939129615.db2.gz AHMYEYVCPMNXOV-MAUKXSAKSA-N 2 2 366.431 3.612 20 0 FHADLP COCC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000507429891 945232056 /nfs/dbraw/zinc/23/20/56/945232056.db2.gz QPYMMUDHVGZMGW-HXUWFJFHSA-N 2 2 360.473 3.793 20 0 FHADLP c1nn(-c2ccccc2)c2nc[nH+]c(NCCC[NH2+]C3CCCCC3)c12 ZINC000506037696 945265487 /nfs/dbraw/zinc/26/54/87/945265487.db2.gz VEBHFLDNKGTUMU-UHFFFAOYSA-N 2 2 350.470 3.540 20 0 FHADLP CCc1cccnc1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000507515152 945292244 /nfs/dbraw/zinc/29/22/44/945292244.db2.gz UVFFRLZXRLDXAJ-MRXNPFEDSA-N 2 2 353.514 3.743 20 0 FHADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000511393120 940329641 /nfs/dbraw/zinc/32/96/41/940329641.db2.gz ZFYZOBPOCSGUOS-UHFFFAOYSA-N 2 2 374.488 3.556 20 0 FHADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCNc2cccc[nH+]2)c1 ZINC000511393120 940329644 /nfs/dbraw/zinc/32/96/44/940329644.db2.gz ZFYZOBPOCSGUOS-UHFFFAOYSA-N 2 2 374.488 3.556 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCSc4ccc(F)cc43)CCC[N@@H+]2C)cn1 ZINC000376168426 940409336 /nfs/dbraw/zinc/40/93/36/940409336.db2.gz WPBHZJOONWZZAH-HEFCMCLBSA-N 2 2 374.529 3.769 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCSc4ccc(F)cc43)CCC[N@H+]2C)cn1 ZINC000376168426 940409337 /nfs/dbraw/zinc/40/93/37/940409337.db2.gz WPBHZJOONWZZAH-HEFCMCLBSA-N 2 2 374.529 3.769 20 0 FHADLP Cc1cc(Br)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000651582461 945322119 /nfs/dbraw/zinc/32/21/19/945322119.db2.gz GBQZOWGKSXLKRH-AWEZNQCLSA-N 2 2 373.360 3.552 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064354 940472839 /nfs/dbraw/zinc/47/28/39/940472839.db2.gz FOQYIJWJSBFWFW-ZWKOTPCHSA-N 2 2 352.526 3.912 20 0 FHADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414064354 940472841 /nfs/dbraw/zinc/47/28/41/940472841.db2.gz FOQYIJWJSBFWFW-ZWKOTPCHSA-N 2 2 352.526 3.912 20 0 FHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112370562 945328271 /nfs/dbraw/zinc/32/82/71/945328271.db2.gz OTOHYSFFRRZGCJ-UHFFFAOYSA-N 2 2 365.319 3.517 20 0 FHADLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000173509921 940632789 /nfs/dbraw/zinc/63/27/89/940632789.db2.gz MZTWZPMWMYJHEV-IBGZPJMESA-N 2 2 374.488 3.609 20 0 FHADLP C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173509921 940632791 /nfs/dbraw/zinc/63/27/91/940632791.db2.gz MZTWZPMWMYJHEV-IBGZPJMESA-N 2 2 374.488 3.609 20 0 FHADLP CCCCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174291224 940717979 /nfs/dbraw/zinc/71/79/79/940717979.db2.gz XRPWFJOWYUBAMY-UHFFFAOYSA-N 2 2 360.546 3.519 20 0 FHADLP CCCCc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000174291224 940717982 /nfs/dbraw/zinc/71/79/82/940717982.db2.gz XRPWFJOWYUBAMY-UHFFFAOYSA-N 2 2 360.546 3.519 20 0 FHADLP FC(F)(F)c1ccc2oc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)nc2c1 ZINC000330083140 945348888 /nfs/dbraw/zinc/34/88/88/945348888.db2.gz BGNXWVFJQBPHLX-UHFFFAOYSA-N 2 2 350.344 3.949 20 0 FHADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658797 945362631 /nfs/dbraw/zinc/36/26/31/945362631.db2.gz HGINDQTZAGFXBT-HSZRJFAPSA-N 2 2 363.505 3.857 20 0 FHADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658797 945362641 /nfs/dbraw/zinc/36/26/41/945362641.db2.gz HGINDQTZAGFXBT-HSZRJFAPSA-N 2 2 363.505 3.857 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658797 945362653 /nfs/dbraw/zinc/36/26/53/945362653.db2.gz HGINDQTZAGFXBT-HSZRJFAPSA-N 2 2 363.505 3.857 20 0 FHADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658797 945362665 /nfs/dbraw/zinc/36/26/65/945362665.db2.gz HGINDQTZAGFXBT-HSZRJFAPSA-N 2 2 363.505 3.857 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337537 941002103 /nfs/dbraw/zinc/00/21/03/941002103.db2.gz QNEAMLSZVFITGA-FFGOWVMKSA-N 2 2 359.558 3.864 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414337537 941002107 /nfs/dbraw/zinc/00/21/07/941002107.db2.gz QNEAMLSZVFITGA-FFGOWVMKSA-N 2 2 359.558 3.864 20 0 FHADLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000176723475 941073772 /nfs/dbraw/zinc/07/37/72/941073772.db2.gz CZFGFZOFYQFMPQ-WIYYLYMNSA-N 2 2 374.488 3.655 20 0 FHADLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000176723475 941073774 /nfs/dbraw/zinc/07/37/74/941073774.db2.gz CZFGFZOFYQFMPQ-WIYYLYMNSA-N 2 2 374.488 3.655 20 0 FHADLP COc1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000580209304 941243754 /nfs/dbraw/zinc/24/37/54/941243754.db2.gz MDWPCUMMSIVJEM-UHFFFAOYSA-N 2 2 354.494 3.800 20 0 FHADLP COc1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1OC ZINC000580209304 941243757 /nfs/dbraw/zinc/24/37/57/941243757.db2.gz MDWPCUMMSIVJEM-UHFFFAOYSA-N 2 2 354.494 3.800 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549163931 941560931 /nfs/dbraw/zinc/56/09/31/941560931.db2.gz BBFVWGAABVSPEQ-LJQANCHMSA-N 2 2 372.534 3.925 20 0 FHADLP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)s1 ZINC000549163931 941560933 /nfs/dbraw/zinc/56/09/33/941560933.db2.gz BBFVWGAABVSPEQ-LJQANCHMSA-N 2 2 372.534 3.925 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000415064999 941577660 /nfs/dbraw/zinc/57/76/60/941577660.db2.gz LYFSRBNPGXAXIX-OXQOHEQNSA-N 2 2 353.510 3.818 20 0 FHADLP Fc1cccc(F)c1C1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000626179082 941585861 /nfs/dbraw/zinc/58/58/61/941585861.db2.gz USOBVUQZNMDWEG-UHFFFAOYSA-N 2 2 372.459 3.966 20 0 FHADLP COC1CCC(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000892983501 941838207 /nfs/dbraw/zinc/83/82/07/941838207.db2.gz UUCLQBPWXOXZLD-JSOIOWGOSA-N 2 2 360.542 3.681 20 0 FHADLP C[N@H+](CCO)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513326060 941848266 /nfs/dbraw/zinc/84/82/66/941848266.db2.gz XECJKZNMAPOUPS-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP C[N@@H+](CCO)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513326060 941848273 /nfs/dbraw/zinc/84/82/73/941848273.db2.gz XECJKZNMAPOUPS-UHFFFAOYSA-N 2 2 360.542 3.534 20 0 FHADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513338493 941853009 /nfs/dbraw/zinc/85/30/09/941853009.db2.gz QLBPRFJHWHODMH-LJQANCHMSA-N 2 2 374.569 3.923 20 0 FHADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc(OCC3CCCCC3)c2)CC1 ZINC000513338493 941853015 /nfs/dbraw/zinc/85/30/15/941853015.db2.gz QLBPRFJHWHODMH-LJQANCHMSA-N 2 2 374.569 3.923 20 0 FHADLP CCc1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)C[C@H](C)O)CC3)o2)cc1 ZINC000513334075 941858150 /nfs/dbraw/zinc/85/81/50/941858150.db2.gz TZYJXLREQSYJHI-KRWDZBQOSA-N 2 2 356.510 3.786 20 0 FHADLP CCc1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)C[C@H](C)O)CC3)o2)cc1 ZINC000513334075 941858156 /nfs/dbraw/zinc/85/81/56/941858156.db2.gz TZYJXLREQSYJHI-KRWDZBQOSA-N 2 2 356.510 3.786 20 0 FHADLP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000513473214 941952092 /nfs/dbraw/zinc/95/20/92/941952092.db2.gz ULIFVNICTDPBEA-FGZHOGPDSA-N 2 2 370.924 3.800 20 0 FHADLP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000513473214 941952095 /nfs/dbraw/zinc/95/20/95/941952095.db2.gz ULIFVNICTDPBEA-FGZHOGPDSA-N 2 2 370.924 3.800 20 0 FHADLP CCOc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)ccc1OC(F)F ZINC000377832436 942019859 /nfs/dbraw/zinc/01/98/59/942019859.db2.gz RXAWLLKHKQFMBD-OAHLLOKOSA-N 2 2 365.424 3.859 20 0 FHADLP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434011604 942039009 /nfs/dbraw/zinc/03/90/09/942039009.db2.gz MJPWALFHOYAQHK-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434011604 942039013 /nfs/dbraw/zinc/03/90/13/942039013.db2.gz MJPWALFHOYAQHK-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434011604 942039016 /nfs/dbraw/zinc/03/90/16/942039016.db2.gz MJPWALFHOYAQHK-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434011604 942039018 /nfs/dbraw/zinc/03/90/18/942039018.db2.gz MJPWALFHOYAQHK-JXFKEZNVSA-N 2 2 367.522 3.658 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000377961118 942100863 /nfs/dbraw/zinc/10/08/63/942100863.db2.gz RLYNVKMEIAGMMD-RIFZZMRRSA-N 2 2 358.555 3.876 20 0 FHADLP CSc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000377961118 942100866 /nfs/dbraw/zinc/10/08/66/942100866.db2.gz RLYNVKMEIAGMMD-RIFZZMRRSA-N 2 2 358.555 3.876 20 0 FHADLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000280130610 942116538 /nfs/dbraw/zinc/11/65/38/942116538.db2.gz DCVRJHARVSSGFV-XGHQBKJUSA-N 2 2 373.541 3.607 20 0 FHADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]c2ccc(N3CCC([NH+](C)C)CC3)cc2)[C@H]1C ZINC000280130598 942116808 /nfs/dbraw/zinc/11/68/08/942116808.db2.gz DCVRJHARVSSGFV-FIKGOQFSSA-N 2 2 373.541 3.607 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000182092972 942204441 /nfs/dbraw/zinc/20/44/41/942204441.db2.gz HMEOBPMHVPZDIU-OAHLLOKOSA-N 2 2 353.388 3.773 20 0 FHADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000182092972 942204447 /nfs/dbraw/zinc/20/44/47/942204447.db2.gz HMEOBPMHVPZDIU-OAHLLOKOSA-N 2 2 353.388 3.773 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000182091251 942204640 /nfs/dbraw/zinc/20/46/40/942204640.db2.gz ZFLITYDDZAHQNM-QGZVFWFLSA-N 2 2 357.498 3.671 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000182091251 942204643 /nfs/dbraw/zinc/20/46/43/942204643.db2.gz ZFLITYDDZAHQNM-QGZVFWFLSA-N 2 2 357.498 3.671 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187847146 942229919 /nfs/dbraw/zinc/22/99/19/942229919.db2.gz ZCFJBHORYAHYRX-GOSISDBHSA-N 2 2 351.853 3.838 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000187847146 942229925 /nfs/dbraw/zinc/22/99/25/942229925.db2.gz ZCFJBHORYAHYRX-GOSISDBHSA-N 2 2 351.853 3.838 20 0 FHADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C)c3ccccc23)CC1 ZINC000414478827 942248538 /nfs/dbraw/zinc/24/85/38/942248538.db2.gz HCIVZTMMFUXYRU-UHFFFAOYSA-N 2 2 354.494 3.655 20 0 FHADLP COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420927274 942257732 /nfs/dbraw/zinc/25/77/32/942257732.db2.gz ZEKXLFRTKGZOEA-OAQYLSRUSA-N 2 2 370.493 3.595 20 0 FHADLP COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420927274 942257737 /nfs/dbraw/zinc/25/77/37/942257737.db2.gz ZEKXLFRTKGZOEA-OAQYLSRUSA-N 2 2 370.493 3.595 20 0 FHADLP C[C@]1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCc2ccccc21 ZINC000420931995 942260690 /nfs/dbraw/zinc/26/06/90/942260690.db2.gz GUWFPUQSVNXUBL-QHCPKHFHSA-N 2 2 350.506 3.860 20 0 FHADLP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000420941317 942265333 /nfs/dbraw/zinc/26/53/33/942265333.db2.gz SRDVKCWSOAAYRM-HXUWFJFHSA-N 2 2 371.550 3.793 20 0 FHADLP Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000420941317 942265336 /nfs/dbraw/zinc/26/53/36/942265336.db2.gz SRDVKCWSOAAYRM-HXUWFJFHSA-N 2 2 371.550 3.793 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc2ncsc2c1 ZINC000420915049 942266385 /nfs/dbraw/zinc/26/63/85/942266385.db2.gz DHJOFTFNOHNJJX-INIZCTEOSA-N 2 2 367.518 3.979 20 0 FHADLP Fc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188063621 942323917 /nfs/dbraw/zinc/32/39/17/942323917.db2.gz ICWDKYVTIUBGBM-NRFANRHFSA-N 2 2 354.469 3.946 20 0 FHADLP COc1cc(C)c(C[C@@H](C)[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1OC ZINC000502281676 942331116 /nfs/dbraw/zinc/33/11/16/942331116.db2.gz LUSAWWOTVPDZKU-QGZVFWFLSA-N 2 2 365.477 3.919 20 0 FHADLP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)[nH+]c2n3CCCCC2)s1 ZINC000419747518 942366315 /nfs/dbraw/zinc/36/63/15/942366315.db2.gz XLGBYFQVINFESR-UHFFFAOYSA-N 2 2 355.511 3.893 20 0 FHADLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502397023 942422879 /nfs/dbraw/zinc/42/28/79/942422879.db2.gz CMXVWCGYDVNLNF-SFHVURJKSA-N 2 2 364.493 3.805 20 0 FHADLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000502397023 942422881 /nfs/dbraw/zinc/42/28/81/942422881.db2.gz CMXVWCGYDVNLNF-SFHVURJKSA-N 2 2 364.493 3.805 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cnn(C2CCCC2)c1 ZINC000502435573 942452469 /nfs/dbraw/zinc/45/24/69/942452469.db2.gz OMZMMTFHKNODHU-UZLBHIALSA-N 2 2 368.529 3.707 20 0 FHADLP COCCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)o1 ZINC000893183122 942461648 /nfs/dbraw/zinc/46/16/48/942461648.db2.gz NMQXQXOKDPPNAE-FQEVSTJZSA-N 2 2 369.465 3.649 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938271 942476000 /nfs/dbraw/zinc/47/60/00/942476000.db2.gz JDEUQBDACFIPOV-JMSVASOKSA-N 2 2 368.403 3.876 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938271 942476003 /nfs/dbraw/zinc/47/60/03/942476003.db2.gz JDEUQBDACFIPOV-JMSVASOKSA-N 2 2 368.403 3.876 20 0 FHADLP CCc1oc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C(=O)OC ZINC000549410762 942522458 /nfs/dbraw/zinc/52/24/58/942522458.db2.gz LIONLLBUWQABCT-HNNXBMFYSA-N 2 2 371.481 3.541 20 0 FHADLP CCc1oc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C(=O)OC ZINC000549410762 942522464 /nfs/dbraw/zinc/52/24/64/942522464.db2.gz LIONLLBUWQABCT-HNNXBMFYSA-N 2 2 371.481 3.541 20 0 FHADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844582 942611173 /nfs/dbraw/zinc/61/11/73/942611173.db2.gz KXKSPKPZROKEQK-GCJKJVERSA-N 2 2 367.537 3.537 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1cccc(C(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000420308895 942615164 /nfs/dbraw/zinc/61/51/64/942615164.db2.gz KTWDFDZKZYPTKS-KRWDZBQOSA-N 2 2 360.452 3.502 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1cccc(C(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000420308895 942615170 /nfs/dbraw/zinc/61/51/70/942615170.db2.gz KTWDFDZKZYPTKS-KRWDZBQOSA-N 2 2 360.452 3.502 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000420364557 942639774 /nfs/dbraw/zinc/63/97/74/942639774.db2.gz PEQFADOBXSJGOW-CVEARBPZSA-N 2 2 372.340 3.620 20 0 FHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2)[NH+]1CCCCCC1 ZINC000425077180 942640007 /nfs/dbraw/zinc/64/00/07/942640007.db2.gz HKDRYYYGZMDGHU-CQSZACIVSA-N 2 2 364.559 3.503 20 0 FHADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)[NH+]1CCCCCC1 ZINC000425077180 942640012 /nfs/dbraw/zinc/64/00/12/942640012.db2.gz HKDRYYYGZMDGHU-CQSZACIVSA-N 2 2 364.559 3.503 20 0 FHADLP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000420402168 942661935 /nfs/dbraw/zinc/66/19/35/942661935.db2.gz JVMXDHHMHYJHPC-HNNXBMFYSA-N 2 2 356.495 3.707 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1C[NH+]1CCCCC1 ZINC000182186642 942687596 /nfs/dbraw/zinc/68/75/96/942687596.db2.gz AAXAIDREKQLLNU-GOSISDBHSA-N 3 2 356.514 3.619 20 0 FHADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000430041888 942697304 /nfs/dbraw/zinc/69/73/04/942697304.db2.gz OUISLPMNQOPXJV-UHFFFAOYSA-N 2 2 366.933 3.719 20 0 FHADLP Cc1cc(C[NH2+]C(C)(C)C[N@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000514076382 942722155 /nfs/dbraw/zinc/72/21/55/942722155.db2.gz XKVMKXPRFRGGJF-UHFFFAOYSA-N 2 2 363.509 3.576 20 0 FHADLP Cc1cc(C[NH2+]C(C)(C)C[N@@H+](C)Cc2ccccc2)ccc1-n1cncn1 ZINC000514076382 942722160 /nfs/dbraw/zinc/72/21/60/942722160.db2.gz XKVMKXPRFRGGJF-UHFFFAOYSA-N 2 2 363.509 3.576 20 0 FHADLP Cc1csc(N2CCC([NH2+]C[C@@H]([NH3+])c3ccc(C(C)C)cc3)CC2)n1 ZINC000414846542 942725760 /nfs/dbraw/zinc/72/57/60/942725760.db2.gz NKMXHXIZLQVCCP-LJQANCHMSA-N 2 2 358.555 3.833 20 0 FHADLP C[N@H+](CCCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434740261 942933667 /nfs/dbraw/zinc/93/36/67/942933667.db2.gz YYALDYUATXYPOM-UNMCSNQZSA-N 2 2 353.510 3.865 20 0 FHADLP C[N@@H+](CCCCOc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434740261 942933669 /nfs/dbraw/zinc/93/36/69/942933669.db2.gz YYALDYUATXYPOM-UNMCSNQZSA-N 2 2 353.510 3.865 20 0 FHADLP C[NH+](CCCCOc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434740261 942933671 /nfs/dbraw/zinc/93/36/71/942933671.db2.gz YYALDYUATXYPOM-UNMCSNQZSA-N 2 2 353.510 3.865 20 0 FHADLP C[NH+](CCCCOc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434740261 942933673 /nfs/dbraw/zinc/93/36/73/942933673.db2.gz YYALDYUATXYPOM-UNMCSNQZSA-N 2 2 353.510 3.865 20 0 FHADLP COC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000273396414 942947888 /nfs/dbraw/zinc/94/78/88/942947888.db2.gz LANOLVJRWDBYHU-UHFFFAOYSA-N 2 2 368.433 3.581 20 0 FHADLP COC(=O)c1coc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c1 ZINC000273396414 942947897 /nfs/dbraw/zinc/94/78/97/942947897.db2.gz LANOLVJRWDBYHU-UHFFFAOYSA-N 2 2 368.433 3.581 20 0 FHADLP C[N@H+](Cc1ccc2ccccc2n1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378620725 942963374 /nfs/dbraw/zinc/96/33/74/942963374.db2.gz IARBJSWSBZJGDQ-UHFFFAOYSA-N 2 2 360.505 3.769 20 0 FHADLP C[N@@H+](Cc1ccc2ccccc2n1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378620725 942963377 /nfs/dbraw/zinc/96/33/77/942963377.db2.gz IARBJSWSBZJGDQ-UHFFFAOYSA-N 2 2 360.505 3.769 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CCC4(CCCCC4)O3)CCC[NH+]2C)cn1 ZINC000467202840 942985235 /nfs/dbraw/zinc/98/52/35/942985235.db2.gz UWTWNSLTYWCOFM-SESVDKBCSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H]3CCC4(CCCCC4)O3)CCC[NH+]2C)cn1 ZINC000467202840 942985240 /nfs/dbraw/zinc/98/52/40/942985240.db2.gz UWTWNSLTYWCOFM-SESVDKBCSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CCC4(CCCCC4)O3)CCC[N@@H+]2C)cn1 ZINC000467202840 942985243 /nfs/dbraw/zinc/98/52/43/942985243.db2.gz UWTWNSLTYWCOFM-SESVDKBCSA-N 2 2 374.573 3.617 20 0 FHADLP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H]3CCC4(CCCCC4)O3)CCC[N@H+]2C)cn1 ZINC000467202840 942985248 /nfs/dbraw/zinc/98/52/48/942985248.db2.gz UWTWNSLTYWCOFM-SESVDKBCSA-N 2 2 374.573 3.617 20 0 FHADLP CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000422196803 943050628 /nfs/dbraw/zinc/05/06/28/943050628.db2.gz AEXNQASPMLOMHQ-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP CCN(C(=O)NCc1cc(C)[nH+]c(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422196803 943050636 /nfs/dbraw/zinc/05/06/36/943050636.db2.gz AEXNQASPMLOMHQ-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP Cc1cc(CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000422218083 943058758 /nfs/dbraw/zinc/05/87/58/943058758.db2.gz XOFAYTRSERCMHI-NRFANRHFSA-N 2 2 366.509 3.504 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC(C)C ZINC000435060805 943133828 /nfs/dbraw/zinc/13/38/28/943133828.db2.gz VCUWPNNZMJNQMD-LJQANCHMSA-N 2 2 356.466 3.778 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCC(C)C ZINC000435060805 943133831 /nfs/dbraw/zinc/13/38/31/943133831.db2.gz VCUWPNNZMJNQMD-LJQANCHMSA-N 2 2 356.466 3.778 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365185 943150377 /nfs/dbraw/zinc/15/03/77/943150377.db2.gz GMCKUBRKWWPJBX-HCXYKTFWSA-N 2 2 372.557 3.577 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365185 943150382 /nfs/dbraw/zinc/15/03/82/943150382.db2.gz GMCKUBRKWWPJBX-HCXYKTFWSA-N 2 2 372.557 3.577 20 0 FHADLP CC(C)(C)OC(=O)CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406256 943165339 /nfs/dbraw/zinc/16/53/39/943165339.db2.gz MFZPWBPTOOLGFY-QGZVFWFLSA-N 2 2 361.530 3.911 20 0 FHADLP CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503406256 943165341 /nfs/dbraw/zinc/16/53/41/943165341.db2.gz MFZPWBPTOOLGFY-QGZVFWFLSA-N 2 2 361.530 3.911 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)c1c[nH+]ccc1N ZINC000422719377 943257170 /nfs/dbraw/zinc/25/71/70/943257170.db2.gz QZENTNKNKZPTHA-HNNXBMFYSA-N 2 2 352.482 3.864 20 0 FHADLP Clc1ccccc1[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc2c(c1)OCCO2 ZINC000422787476 943283182 /nfs/dbraw/zinc/28/31/82/943283182.db2.gz MGJRIVFSYGPUIM-HRAATJIYSA-N 2 2 372.896 3.932 20 0 FHADLP COc1ccc([C@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422795168 943285426 /nfs/dbraw/zinc/28/54/26/943285426.db2.gz ZTAORKXHSGJGTD-IRLDBZIGSA-N 2 2 364.493 3.518 20 0 FHADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765691 943285631 /nfs/dbraw/zinc/28/56/31/943285631.db2.gz RBFOXJDFADBZDD-ISARSNTHSA-N 3 2 369.475 3.805 20 0 FHADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000422765691 943285635 /nfs/dbraw/zinc/28/56/35/943285635.db2.gz RBFOXJDFADBZDD-ISARSNTHSA-N 3 2 369.475 3.805 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813974 943292403 /nfs/dbraw/zinc/29/24/03/943292403.db2.gz SRUXQKINGFJVAB-VQDLLJBESA-N 3 2 365.521 3.530 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)C[C@H](C)O1 ZINC000422813974 943292409 /nfs/dbraw/zinc/29/24/09/943292409.db2.gz SRUXQKINGFJVAB-VQDLLJBESA-N 3 2 365.521 3.530 20 0 FHADLP C[C@@H]([NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422872803 943321969 /nfs/dbraw/zinc/32/19/69/943321969.db2.gz IRUHMGDMSKCBNY-XIKOKIGWSA-N 2 2 363.274 3.875 20 0 FHADLP C[C@@H]([NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422872801 943322060 /nfs/dbraw/zinc/32/20/60/943322060.db2.gz IRUHMGDMSKCBNY-KZULUSFZSA-N 2 2 363.274 3.875 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000422874679 943323282 /nfs/dbraw/zinc/32/32/82/943323282.db2.gz OCWNRWPAYJCZEY-XMCHAPAWSA-N 2 2 362.876 3.925 20 0 FHADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)c(C(F)(F)F)c2)n1 ZINC000422896787 943323436 /nfs/dbraw/zinc/32/34/36/943323436.db2.gz AZEYLKWIUZISDH-KDOFPFPSSA-N 2 2 366.431 3.738 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422902189 943325383 /nfs/dbraw/zinc/32/53/83/943325383.db2.gz TZKNXWNCUWYCQF-DNVJHFABSA-N 3 2 355.570 3.860 20 0 FHADLP c1coc(-c2nc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cs2)c1 ZINC000422893305 943330206 /nfs/dbraw/zinc/33/02/06/943330206.db2.gz PYOJQPKMYXWUGF-OXQOHEQNSA-N 2 2 367.474 3.749 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422944841 943344763 /nfs/dbraw/zinc/34/47/63/943344763.db2.gz MQRROFRHBXKFIB-IDRARTPTSA-N 2 2 362.517 3.640 20 0 FHADLP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955352 943348588 /nfs/dbraw/zinc/34/85/88/943348588.db2.gz JASXDELAQIZBEE-SIKLNZKXSA-N 2 2 364.493 3.740 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H]2CCC[NH2+]2)cc1 ZINC000422954636 943348893 /nfs/dbraw/zinc/34/88/93/943348893.db2.gz JMEJNMZVKNZIOM-NQIIRXRSSA-N 2 2 371.550 3.656 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000435373560 943355153 /nfs/dbraw/zinc/35/51/53/943355153.db2.gz VEABXSWLXAPOHZ-UHFFFAOYSA-N 2 2 351.494 3.721 20 0 FHADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375155 943356722 /nfs/dbraw/zinc/35/67/22/943356722.db2.gz SPTGYXVPLMAVMG-NWDGAFQWSA-N 2 2 366.328 3.742 20 0 FHADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1csc(-c2cccc(Br)c2)n1 ZINC000435375155 943356726 /nfs/dbraw/zinc/35/67/26/943356726.db2.gz SPTGYXVPLMAVMG-NWDGAFQWSA-N 2 2 366.328 3.742 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1 ZINC000423008284 943363522 /nfs/dbraw/zinc/36/35/22/943363522.db2.gz ZRLLTYBFUROGNK-AVRDEDQJSA-N 3 2 363.509 3.754 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423022895 943369714 /nfs/dbraw/zinc/36/97/14/943369714.db2.gz IMYLTRKAPRGFRW-BMIPRAEKSA-N 2 2 353.913 3.592 20 0 FHADLP Brc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435388966 943376525 /nfs/dbraw/zinc/37/65/25/943376525.db2.gz IMHUOPQGXFOPHG-IBGZPJMESA-N 2 2 374.326 3.988 20 0 FHADLP Brc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435388966 943376531 /nfs/dbraw/zinc/37/65/31/943376531.db2.gz IMHUOPQGXFOPHG-IBGZPJMESA-N 2 2 374.326 3.988 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1cccc(OCc2ccccc2)c1 ZINC000423069249 943380773 /nfs/dbraw/zinc/38/07/73/943380773.db2.gz AUJMPGMNLFFIMA-UEXGIBASSA-N 2 2 354.494 3.683 20 0 FHADLP C[NH2+]C1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000435395148 943381185 /nfs/dbraw/zinc/38/11/85/943381185.db2.gz ODPKOIMMXOATLH-UHFFFAOYSA-N 2 2 360.505 3.782 20 0 FHADLP COc1ccc([C@@H]([NH2+]CC2(c3ccccn3)CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423116151 943395616 /nfs/dbraw/zinc/39/56/16/943395616.db2.gz ZRGCLBVUJIOVQJ-TZIWHRDSSA-N 2 2 351.494 3.595 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CSc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000423145781 943407378 /nfs/dbraw/zinc/40/73/78/943407378.db2.gz MKPDEOHHANNFAP-LRQRDZAKSA-N 2 2 354.519 3.967 20 0 FHADLP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)sc1Br ZINC000423156966 943412994 /nfs/dbraw/zinc/41/29/94/943412994.db2.gz LVOIATRZNWZNLU-FRRDWIJNSA-N 2 2 358.349 3.614 20 0 FHADLP CCCOc1cccc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435444836 943420521 /nfs/dbraw/zinc/42/05/21/943420521.db2.gz BBMJMJXEJFJVMM-SFHVURJKSA-N 2 2 359.539 3.852 20 0 FHADLP CCCOc1cccc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1 ZINC000435444836 943420524 /nfs/dbraw/zinc/42/05/24/943420524.db2.gz BBMJMJXEJFJVMM-SFHVURJKSA-N 2 2 359.539 3.852 20 0 FHADLP Cc1ccc(-c2nc(C[NH2+]CCC[NH2+]Cc3cccnc3)cs2)cc1 ZINC000414869618 943441979 /nfs/dbraw/zinc/44/19/79/943441979.db2.gz BNEARVGXURZDGE-UHFFFAOYSA-N 2 2 352.507 3.783 20 0 FHADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239612 943444965 /nfs/dbraw/zinc/44/49/65/943444965.db2.gz BLSUCQWSYXQXFT-PXAZEXFGSA-N 2 2 351.263 3.809 20 0 FHADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000423282418 943463424 /nfs/dbraw/zinc/46/34/24/943463424.db2.gz WNDZUHSOFCWQQE-VBKZILBWSA-N 2 2 360.885 3.646 20 0 FHADLP Cc1c([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284855 943463922 /nfs/dbraw/zinc/46/39/22/943463922.db2.gz XGYYYAYXNWIIDT-MGPLVRAMSA-N 2 2 353.297 3.875 20 0 FHADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423287328 943464942 /nfs/dbraw/zinc/46/49/42/943464942.db2.gz LNQILWMGLZCXCX-HNNXBMFYSA-N 2 2 352.544 3.571 20 0 FHADLP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(Cl)cc2)cc1 ZINC000423294136 943475092 /nfs/dbraw/zinc/47/50/92/943475092.db2.gz TUNOVUGFKCZBTM-JLTOFOAXSA-N 2 2 354.885 3.972 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423374083 943490464 /nfs/dbraw/zinc/49/04/64/943490464.db2.gz HQISZVWGMSQDHT-CXAGYDPISA-N 2 2 355.320 3.504 20 0 FHADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423369966 943494431 /nfs/dbraw/zinc/49/44/31/943494431.db2.gz CWWQSZAJUDOTSK-SJORKVTESA-N 2 2 352.482 3.562 20 0 FHADLP C[N@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435621678 943518981 /nfs/dbraw/zinc/51/89/81/943518981.db2.gz NVYSAGITEMBMAF-MRXNPFEDSA-N 2 2 364.287 3.678 20 0 FHADLP C[N@@H+](Cc1coc(-c2ccc(Br)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435621678 943518984 /nfs/dbraw/zinc/51/89/84/943518984.db2.gz NVYSAGITEMBMAF-MRXNPFEDSA-N 2 2 364.287 3.678 20 0 FHADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ccccc21 ZINC000515327536 943791576 /nfs/dbraw/zinc/79/15/76/943791576.db2.gz WTVDRODXQRYDCS-PGRDOPGGSA-N 2 2 366.505 3.736 20 0 FHADLP c1csc([C@H](Cc2ccncc2)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000424273332 943829837 /nfs/dbraw/zinc/82/98/37/943829837.db2.gz WQDPCDHMKOKANJ-SFHVURJKSA-N 2 2 352.507 3.792 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000424339825 943872328 /nfs/dbraw/zinc/87/23/28/943872328.db2.gz WRCOSQYUUDPQDT-CGTJXYLNSA-N 2 2 353.466 3.665 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647936824 943957923 /nfs/dbraw/zinc/95/79/23/943957923.db2.gz LWVBHTBVORDWSN-AHRSYUTCSA-N 2 2 362.477 3.885 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC[C@H]1[NH3+] ZINC000647936824 943957927 /nfs/dbraw/zinc/95/79/27/943957927.db2.gz LWVBHTBVORDWSN-AHRSYUTCSA-N 2 2 362.477 3.885 20 0 FHADLP CCc1cccc(OCC[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000436057909 943979186 /nfs/dbraw/zinc/97/91/86/943979186.db2.gz WXZMVVHAAFPQIX-GOSISDBHSA-N 2 2 359.539 3.504 20 0 FHADLP CCc1cccc(OCC[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1 ZINC000436057909 943979187 /nfs/dbraw/zinc/97/91/87/943979187.db2.gz WXZMVVHAAFPQIX-GOSISDBHSA-N 2 2 359.539 3.504 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3ccccn3)c2)cc1 ZINC000414877895 944003056 /nfs/dbraw/zinc/00/30/56/944003056.db2.gz GOCMVFRGQSNNIR-ISKFKSNPSA-N 2 2 373.500 3.993 20 0 FHADLP COC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000436102378 944016329 /nfs/dbraw/zinc/01/63/29/944016329.db2.gz NOHCMXPXHIIERQ-HXUWFJFHSA-N 2 2 362.489 3.628 20 0 FHADLP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437688570 944034920 /nfs/dbraw/zinc/03/49/20/944034920.db2.gz AVYRFMJKOQNCOL-UHFFFAOYSA-N 2 2 366.484 3.841 20 0 FHADLP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000437688570 944034929 /nfs/dbraw/zinc/03/49/29/944034929.db2.gz AVYRFMJKOQNCOL-UHFFFAOYSA-N 2 2 366.484 3.841 20 0 FHADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCOC4(CCCCC4)C3)[nH+]c2)CC1 ZINC000894342216 944099763 /nfs/dbraw/zinc/09/97/63/944099763.db2.gz KGEIAXJVCAOBBY-SFHVURJKSA-N 2 2 372.557 3.906 20 0 FHADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436255216 944147934 /nfs/dbraw/zinc/14/79/34/944147934.db2.gz XGHJGLCIZGNGTH-MRXNPFEDSA-N 2 2 364.839 3.541 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000191980759 944262008 /nfs/dbraw/zinc/26/20/08/944262008.db2.gz KXYMTJMMDDTWQN-KRWDZBQOSA-N 2 2 370.497 3.527 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000191980759 944262015 /nfs/dbraw/zinc/26/20/15/944262015.db2.gz KXYMTJMMDDTWQN-KRWDZBQOSA-N 2 2 370.497 3.527 20 0 FHADLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1cccc(C(F)(F)F)c1 ZINC000518365292 944309654 /nfs/dbraw/zinc/30/96/54/944309654.db2.gz HGWDODYTLJOOJD-UHFFFAOYSA-N 2 2 366.387 3.521 20 0 FHADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)c1ccccc1 ZINC000518484001 944428878 /nfs/dbraw/zinc/42/88/78/944428878.db2.gz BZUKXCVVBXJJHG-GOSISDBHSA-N 2 2 372.538 3.543 20 0 FHADLP CC[NH+](CC)[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)c1ccccc1 ZINC000518484001 944428884 /nfs/dbraw/zinc/42/88/84/944428884.db2.gz BZUKXCVVBXJJHG-GOSISDBHSA-N 2 2 372.538 3.543 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000364352782 944440208 /nfs/dbraw/zinc/44/02/08/944440208.db2.gz LHRNDDCZEFWNJX-IBGZPJMESA-N 2 2 374.573 3.756 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000364352782 944440216 /nfs/dbraw/zinc/44/02/16/944440216.db2.gz LHRNDDCZEFWNJX-IBGZPJMESA-N 2 2 374.573 3.756 20 0 FHADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426312824 944440824 /nfs/dbraw/zinc/44/08/24/944440824.db2.gz KQKWKWUTZKGPRD-WMZOPIPTSA-N 2 2 350.441 3.941 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390568411 944485522 /nfs/dbraw/zinc/48/55/22/944485522.db2.gz BCJSHTSMQMEDAF-LJQANCHMSA-N 2 2 374.912 3.729 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Cl ZINC000390568411 944485525 /nfs/dbraw/zinc/48/55/25/944485525.db2.gz BCJSHTSMQMEDAF-LJQANCHMSA-N 2 2 374.912 3.729 20 0 FHADLP COc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1OC ZINC000550240269 944548936 /nfs/dbraw/zinc/54/89/36/944548936.db2.gz UJGXQHPKMCHZKQ-UHFFFAOYSA-N 2 2 371.868 3.875 20 0 FHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2[nH]nc(C)c2C)cc1 ZINC000894762681 944577577 /nfs/dbraw/zinc/57/75/77/944577577.db2.gz XKKCSRDBHXFESP-UHFFFAOYSA-N 2 2 367.497 3.714 20 0 FHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2[nH]nc(C)c2C)cc1 ZINC000894762681 944577583 /nfs/dbraw/zinc/57/75/83/944577583.db2.gz XKKCSRDBHXFESP-UHFFFAOYSA-N 2 2 367.497 3.714 20 0 FHADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660418508 944605044 /nfs/dbraw/zinc/60/50/44/944605044.db2.gz BKJXDDKVBMYXPM-WIYYLYMNSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000660418508 944605054 /nfs/dbraw/zinc/60/50/54/944605054.db2.gz BKJXDDKVBMYXPM-WIYYLYMNSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)(C)OC(=O)N(CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C(C)(C)C ZINC000311302552 944613387 /nfs/dbraw/zinc/61/33/87/944613387.db2.gz RSJUDVQVQQGWRI-MRXNPFEDSA-N 2 2 366.550 3.923 20 0 FHADLP COc1ccccc1[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000519582875 944732615 /nfs/dbraw/zinc/73/26/15/944732615.db2.gz YOZCGAMRXXVJSQ-LJQANCHMSA-N 2 2 362.558 3.997 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000518775685 944733568 /nfs/dbraw/zinc/73/35/68/944733568.db2.gz BTIOEAORBDWOSI-CYBMUJFWSA-N 2 2 351.853 3.675 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000500399182 944754533 /nfs/dbraw/zinc/75/45/33/944754533.db2.gz SAQFUXZEMDZHQB-QHCPKHFHSA-N 2 2 368.521 3.638 20 0 FHADLP CCc1cc(OC)ccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000500399182 944754537 /nfs/dbraw/zinc/75/45/37/944754537.db2.gz SAQFUXZEMDZHQB-QHCPKHFHSA-N 2 2 368.521 3.638 20 0 FHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390713274 944767591 /nfs/dbraw/zinc/76/75/91/944767591.db2.gz XKHWKRAPDHLAJT-IFMALSPDSA-N 2 2 354.469 3.694 20 0 FHADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390713274 944767597 /nfs/dbraw/zinc/76/75/97/944767597.db2.gz XKHWKRAPDHLAJT-IFMALSPDSA-N 2 2 354.469 3.694 20 0 FHADLP CCCCC[C@@H](C)C(=O)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001270139926 944775021 /nfs/dbraw/zinc/77/50/21/944775021.db2.gz GGTGQABWRLOPJT-NRSPTQNISA-N 2 2 360.546 3.651 20 0 FHADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894358969 944820073 /nfs/dbraw/zinc/82/00/73/944820073.db2.gz KSESYGANRMQQHB-KRWDZBQOSA-N 2 2 350.510 3.755 20 0 FHADLP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000425668968 944888108 /nfs/dbraw/zinc/88/81/08/944888108.db2.gz BIUQPHNIASJBAV-UHFFFAOYSA-N 2 2 369.513 3.692 20 0 FHADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCSc2cccc(Cl)c2)CC1 ZINC000660696824 945401673 /nfs/dbraw/zinc/40/16/73/945401673.db2.gz VTWHFMINNXBYNN-UHFFFAOYSA-N 2 2 356.963 3.505 20 0 FHADLP C[N@H+](Cc1cncc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986929 945449672 /nfs/dbraw/zinc/44/96/72/945449672.db2.gz IKUOSVWOUKSTIQ-JWTNVVGKSA-N 2 2 364.331 3.681 20 0 FHADLP C[N@@H+](Cc1cncc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167986929 945449674 /nfs/dbraw/zinc/44/96/74/945449674.db2.gz IKUOSVWOUKSTIQ-JWTNVVGKSA-N 2 2 364.331 3.681 20 0 FHADLP C[NH+](Cc1cncc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167986929 945449680 /nfs/dbraw/zinc/44/96/80/945449680.db2.gz IKUOSVWOUKSTIQ-JWTNVVGKSA-N 2 2 364.331 3.681 20 0 FHADLP C[NH+](Cc1cncc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167986929 945449684 /nfs/dbraw/zinc/44/96/84/945449684.db2.gz IKUOSVWOUKSTIQ-JWTNVVGKSA-N 2 2 364.331 3.681 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053922 945513665 /nfs/dbraw/zinc/51/36/65/945513665.db2.gz PFKWLIQGWLILJC-CZUORRHYSA-N 2 2 366.431 3.556 20 0 FHADLP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053922 945513674 /nfs/dbraw/zinc/51/36/74/945513674.db2.gz PFKWLIQGWLILJC-CZUORRHYSA-N 2 2 366.431 3.556 20 0 FHADLP Brc1cccc2c(N3CC[C@H](C[NH+]4CCCC4)C3)cc[nH+]c12 ZINC000549524249 945579217 /nfs/dbraw/zinc/57/92/17/945579217.db2.gz IJKXWAUYZBQOKU-CQSZACIVSA-N 2 2 360.299 3.919 20 0 FHADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712430 945689002 /nfs/dbraw/zinc/68/90/02/945689002.db2.gz NWQJTLXRQSBTSF-PBHICJAKSA-N 2 2 364.559 3.611 20 0 FHADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712430 945689009 /nfs/dbraw/zinc/68/90/09/945689009.db2.gz NWQJTLXRQSBTSF-PBHICJAKSA-N 2 2 364.559 3.611 20 0 FHADLP COc1cc(OC)c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1F ZINC000651692270 945701423 /nfs/dbraw/zinc/70/14/23/945701423.db2.gz ADJMJJWSGBQOFL-UHFFFAOYSA-N 2 2 350.478 3.587 20 0 FHADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c(C)c1 ZINC000440641619 945754468 /nfs/dbraw/zinc/75/44/68/945754468.db2.gz VZMJCCVUNJYJET-INIZCTEOSA-N 2 2 363.387 3.773 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651719340 945762046 /nfs/dbraw/zinc/76/20/46/945762046.db2.gz QIRNJAYUKKCJRK-MOPGFXCFSA-N 2 2 365.521 3.900 20 0 FHADLP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550097447 945833923 /nfs/dbraw/zinc/83/39/23/945833923.db2.gz PWCAXUZMVSPSOC-RXVVDRJESA-N 2 2 369.509 3.923 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc(OC)c1 ZINC000301561011 945848507 /nfs/dbraw/zinc/84/85/07/945848507.db2.gz KJODANPFMJXDTN-KRWDZBQOSA-N 2 2 370.497 3.612 20 0 FHADLP COc1cc(C[N@H+]2CC[C@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc(OC)c1 ZINC000301561011 945848517 /nfs/dbraw/zinc/84/85/17/945848517.db2.gz KJODANPFMJXDTN-KRWDZBQOSA-N 2 2 370.497 3.612 20 0 FHADLP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc(OC)c1 ZINC000301561014 945849599 /nfs/dbraw/zinc/84/95/99/945849599.db2.gz KJODANPFMJXDTN-QGZVFWFLSA-N 2 2 370.497 3.612 20 0 FHADLP COc1cc(C[N@H+]2CC[C@@H](Nc3cc(C)[nH+]c(C(C)C)n3)C2)cc(OC)c1 ZINC000301561014 945849612 /nfs/dbraw/zinc/84/96/12/945849612.db2.gz KJODANPFMJXDTN-QGZVFWFLSA-N 2 2 370.497 3.612 20 0 FHADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N[C@H](c1ccccc1)C1CCCC1 ZINC000111242970 945866980 /nfs/dbraw/zinc/86/69/80/945866980.db2.gz BILQFAQEPYNMMS-JOCHJYFZSA-N 2 2 366.509 3.568 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301684837 945913276 /nfs/dbraw/zinc/91/32/76/945913276.db2.gz VDRDFGBSDIQWJV-IBGZPJMESA-N 2 2 371.573 3.948 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000301684837 945913282 /nfs/dbraw/zinc/91/32/82/945913282.db2.gz VDRDFGBSDIQWJV-IBGZPJMESA-N 2 2 371.573 3.948 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301684837 945913294 /nfs/dbraw/zinc/91/32/94/945913294.db2.gz VDRDFGBSDIQWJV-IBGZPJMESA-N 2 2 371.573 3.948 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000301684837 945913306 /nfs/dbraw/zinc/91/33/06/945913306.db2.gz VDRDFGBSDIQWJV-IBGZPJMESA-N 2 2 371.573 3.948 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263447 945916360 /nfs/dbraw/zinc/91/63/60/945916360.db2.gz JTJOTNNGZRKLBE-DXKRWKNPSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[NH+]2C[C@@H]3CC[C@H]2[C@@H]2C[N@@H+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263447 945916363 /nfs/dbraw/zinc/91/63/63/945916363.db2.gz JTJOTNNGZRKLBE-DXKRWKNPSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263447 945916368 /nfs/dbraw/zinc/91/63/68/945916368.db2.gz JTJOTNNGZRKLBE-DXKRWKNPSA-N 2 2 363.505 3.894 20 0 FHADLP c1c(C[N@@H+]2C[C@@H]3CC[C@H]2[C@@H]2C[NH+](Cc4ccccc4)C[C@H]23)onc1C1CC1 ZINC000661263447 945916370 /nfs/dbraw/zinc/91/63/70/945916370.db2.gz JTJOTNNGZRKLBE-DXKRWKNPSA-N 2 2 363.505 3.894 20 0 FHADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2[nH+]cnc3c2cnn3C(C)(C)C)C1 ZINC000301907149 946032227 /nfs/dbraw/zinc/03/22/27/946032227.db2.gz ZPUOGXZQYVIZID-HZPDHXFCSA-N 2 2 358.534 3.751 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453289 946122927 /nfs/dbraw/zinc/12/29/27/946122927.db2.gz BNGWLOWSWTWTNM-DBXWQHBBSA-N 2 2 356.510 3.790 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000661453289 946122933 /nfs/dbraw/zinc/12/29/33/946122933.db2.gz BNGWLOWSWTWTNM-DBXWQHBBSA-N 2 2 356.510 3.790 20 0 FHADLP Cc1ccc([C@@H](CNc2cc[nH+]c3ccc(C)cc23)[NH+]2CCOCC2)o1 ZINC000302176872 946160414 /nfs/dbraw/zinc/16/04/14/946160414.db2.gz XKLUAVJDOGIUBR-HXUWFJFHSA-N 2 2 351.450 3.930 20 0 FHADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302492849 946235222 /nfs/dbraw/zinc/23/52/22/946235222.db2.gz ZRKOEAMCYUYOAQ-INIZCTEOSA-N 2 2 359.543 3.632 20 0 FHADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000302492849 946235232 /nfs/dbraw/zinc/23/52/32/946235232.db2.gz ZRKOEAMCYUYOAQ-INIZCTEOSA-N 2 2 359.543 3.632 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262573 946332608 /nfs/dbraw/zinc/33/26/08/946332608.db2.gz LXANLKPTIAQKKH-UWJYYQICSA-N 2 2 364.493 3.505 20 0 FHADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2n[nH]cc2c1 ZINC000520262573 946332618 /nfs/dbraw/zinc/33/26/18/946332618.db2.gz LXANLKPTIAQKKH-UWJYYQICSA-N 2 2 364.493 3.505 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302870835 946360638 /nfs/dbraw/zinc/36/06/38/946360638.db2.gz BLLNYRMWHPIGOA-HKUYNNGSSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000302870835 946360647 /nfs/dbraw/zinc/36/06/47/946360647.db2.gz BLLNYRMWHPIGOA-HKUYNNGSSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000302870835 946360658 /nfs/dbraw/zinc/36/06/58/946360658.db2.gz BLLNYRMWHPIGOA-HKUYNNGSSA-N 2 2 351.498 3.542 20 0 FHADLP C[C@H]1C[C@@H](Nc2cc(N3CCCC3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000302870835 946360670 /nfs/dbraw/zinc/36/06/70/946360670.db2.gz BLLNYRMWHPIGOA-HKUYNNGSSA-N 2 2 351.498 3.542 20 0 FHADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000192700181 946611678 /nfs/dbraw/zinc/61/16/78/946611678.db2.gz MFRGCHDADFOELR-QGZVFWFLSA-N 2 2 360.498 3.606 20 0 FHADLP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243469 946881318 /nfs/dbraw/zinc/88/13/18/946881318.db2.gz YGPZAQWZLMDIQT-GFCCVEGCSA-N 2 2 367.280 3.854 20 0 FHADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3csc(Cl)c3Cl)[nH+]c2)C1 ZINC000432252856 946970628 /nfs/dbraw/zinc/97/06/28/946970628.db2.gz HQLFADQGIJPYPO-ZDUSSCGKSA-N 2 2 371.337 3.624 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000511937977 947056585 /nfs/dbraw/zinc/05/65/85/947056585.db2.gz BBXXQNVSATZBKF-RDJZCZTQSA-N 2 2 369.893 3.617 20 0 FHADLP CC(C)[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccccc1 ZINC000444808224 947221859 /nfs/dbraw/zinc/22/18/59/947221859.db2.gz PWZDPRCBQLDECS-OAQYLSRUSA-N 2 2 365.477 3.523 20 0 FHADLP CC(C)[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)COc1ccccc1 ZINC000444808224 947221872 /nfs/dbraw/zinc/22/18/72/947221872.db2.gz PWZDPRCBQLDECS-OAQYLSRUSA-N 2 2 365.477 3.523 20 0 FHADLP Cc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]c(C(C)C)n3)CC2)oc1C ZINC000301294685 947270805 /nfs/dbraw/zinc/27/08/05/947270805.db2.gz XUZZBURPGGEQAY-UHFFFAOYSA-N 2 2 357.502 3.837 20 0 FHADLP COc1cccc(C2([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CCC2)c1 ZINC000662110787 947291300 /nfs/dbraw/zinc/29/13/00/947291300.db2.gz LBSUHWGWWNKWSO-UHFFFAOYSA-N 2 2 366.505 3.696 20 0 FHADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C1CC1 ZINC000444897743 947320014 /nfs/dbraw/zinc/32/00/14/947320014.db2.gz FTXOHRRGZYHCHH-UHFFFAOYSA-N 2 2 370.541 3.553 20 0 FHADLP COc1cccc2c(N3CC[NH+]([C@@H](C)c4cccnc4)CC3)cc(C)[nH+]c12 ZINC000126176680 947407852 /nfs/dbraw/zinc/40/78/52/947407852.db2.gz ROMLQHCGBIWZAZ-KRWDZBQOSA-N 2 2 362.477 3.830 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778702 947600016 /nfs/dbraw/zinc/60/00/16/947600016.db2.gz BVAKXQRLNWMHRK-IFMALSPDSA-N 2 2 369.553 3.626 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C2)CC1 ZINC000523778702 947600019 /nfs/dbraw/zinc/60/00/19/947600019.db2.gz BVAKXQRLNWMHRK-IFMALSPDSA-N 2 2 369.553 3.626 20 0 FHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000475624410 947637148 /nfs/dbraw/zinc/63/71/48/947637148.db2.gz JVOPHJFLHKOWRD-UHFFFAOYSA-N 2 2 368.868 3.614 20 0 FHADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290766 947712358 /nfs/dbraw/zinc/71/23/58/947712358.db2.gz JTMCIONAVLLZTH-UKRRQHHQSA-N 2 2 367.896 3.518 20 0 FHADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536372879 947796588 /nfs/dbraw/zinc/79/65/88/947796588.db2.gz ZUAPYDOEVRFOER-MSOLQXFVSA-N 2 2 366.509 3.532 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469866 948064624 /nfs/dbraw/zinc/06/46/24/948064624.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469866 948064628 /nfs/dbraw/zinc/06/46/28/948064628.db2.gz RGKCXVAMOGKZIR-XLIONFOSSA-N 3 2 352.526 3.953 20 0 FHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432362343 948214512 /nfs/dbraw/zinc/21/45/12/948214512.db2.gz KOARVHFNFXWKAS-CYBMUJFWSA-N 2 2 361.313 3.593 20 0 FHADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432362343 948214521 /nfs/dbraw/zinc/21/45/21/948214521.db2.gz KOARVHFNFXWKAS-CYBMUJFWSA-N 2 2 361.313 3.593 20 0 FHADLP FC1(F)CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001168002155 948221356 /nfs/dbraw/zinc/22/13/56/948221356.db2.gz OALLXCFOMGYRSK-XNMUZJSGSA-N 2 2 367.528 3.587 20 0 FHADLP FC1(F)CN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[C@@H]1[NH+]1CCCCC1 ZINC001168002155 948221365 /nfs/dbraw/zinc/22/13/65/948221365.db2.gz OALLXCFOMGYRSK-XNMUZJSGSA-N 2 2 367.528 3.587 20 0 FHADLP COc1cc(Cl)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432366393 948227917 /nfs/dbraw/zinc/22/79/17/948227917.db2.gz AWFOFPNEVPVGSH-ZDUSSCGKSA-N 2 2 361.313 3.593 20 0 FHADLP COc1cc(Cl)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Cl ZINC000432366393 948227924 /nfs/dbraw/zinc/22/79/24/948227924.db2.gz AWFOFPNEVPVGSH-ZDUSSCGKSA-N 2 2 361.313 3.593 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1F ZINC000432418534 948368549 /nfs/dbraw/zinc/36/85/49/948368549.db2.gz SMQCBMPZIRZQLL-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Br)ccc1F ZINC000432418534 948368554 /nfs/dbraw/zinc/36/85/54/948368554.db2.gz SMQCBMPZIRZQLL-KGLIPLIRSA-N 2 2 373.310 3.740 20 0 FHADLP C[C@@H]1CC([NH2+][C@H](CO)c2ccc(F)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168004830 948410539 /nfs/dbraw/zinc/41/05/39/948410539.db2.gz AFKDNQFVVRGGDA-DRSNIGMVSA-N 2 2 356.485 3.890 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000512099252 948421195 /nfs/dbraw/zinc/42/11/95/948421195.db2.gz LMCRGYIAOBJISY-UHFFFAOYSA-N 2 2 354.494 3.501 20 0 FHADLP c1cncc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C2CCC2)c1 ZINC000280830585 948473230 /nfs/dbraw/zinc/47/32/30/948473230.db2.gz KZTYBZNBDKHPJV-JOCHJYFZSA-N 2 2 351.494 3.545 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2c[nH]nc2-c2ccsc2)c2cccc[nH+]2)CC1 ZINC000895110764 948646892 /nfs/dbraw/zinc/64/68/92/948646892.db2.gz WVOFQXIQUFDBQA-QAQDUYKDSA-N 2 2 353.495 3.810 20 0 FHADLP Cc1cc(C(F)(F)F)cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)[nH+]1 ZINC000663697514 948661445 /nfs/dbraw/zinc/66/14/45/948661445.db2.gz YIVBKQBRMQBYAW-UHFFFAOYSA-N 2 2 365.403 3.897 20 0 FHADLP COc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1OC ZINC000895113665 948706400 /nfs/dbraw/zinc/70/64/00/948706400.db2.gz JOOQGHXRCLOZBO-WKILWMFISA-N 2 2 359.445 3.514 20 0 FHADLP CCO[P@](C)(=O)CC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114250 948720148 /nfs/dbraw/zinc/72/01/48/948720148.db2.gz JMTPBIYHPHRGAW-ZDNFIVBRSA-N 2 2 353.447 3.881 20 0 FHADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000236837936 948769396 /nfs/dbraw/zinc/76/93/96/948769396.db2.gz YTDWIKRMRSOAMP-HCXYKTFWSA-N 2 2 365.562 3.629 20 0 FHADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000236837936 948769405 /nfs/dbraw/zinc/76/94/05/948769405.db2.gz YTDWIKRMRSOAMP-HCXYKTFWSA-N 2 2 365.562 3.629 20 0 FHADLP C[NH+]1CCC(N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)c2ccccc2)CC1 ZINC000601963944 567888462 /nfs/dbraw/zinc/88/84/62/567888462.db2.gz YLKPBVYCOXJTQE-UHFFFAOYSA-N 2 2 374.488 3.672 20 0 FHADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434884 568004285 /nfs/dbraw/zinc/00/42/85/568004285.db2.gz DFYYCVJOKCLCIR-WMZOPIPTSA-N 2 2 353.514 3.776 20 0 FHADLP CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000521434884 568004286 /nfs/dbraw/zinc/00/42/86/568004286.db2.gz DFYYCVJOKCLCIR-WMZOPIPTSA-N 2 2 353.514 3.776 20 0 FHADLP CCc1c[nH+]ccc1NC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000603911766 568178716 /nfs/dbraw/zinc/17/87/16/568178716.db2.gz KEZYAKWXMRBZEV-QGZVFWFLSA-N 2 2 367.493 3.571 20 0 FHADLP CCc1c[nH+]ccc1NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000603911766 568178717 /nfs/dbraw/zinc/17/87/17/568178717.db2.gz KEZYAKWXMRBZEV-QGZVFWFLSA-N 2 2 367.493 3.571 20 0 FHADLP Cc1[nH+]ccn1CCCNC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000604316645 568246107 /nfs/dbraw/zinc/24/61/07/568246107.db2.gz AMBGPQQRHUQJOY-UHFFFAOYSA-N 2 2 350.422 3.507 20 0 FHADLP CC[NH+](CC)[C@H](C[NH2+]Cc1ccc(-n2cncn2)c(C)c1)c1ccccc1 ZINC000236900743 568252725 /nfs/dbraw/zinc/25/27/25/568252725.db2.gz ATMAACUNMIUILW-JOCHJYFZSA-N 2 2 363.509 3.748 20 0 FHADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000261936148 568266356 /nfs/dbraw/zinc/26/63/56/568266356.db2.gz KKHVWMMDHBGGDN-VIFPVBQESA-N 2 2 364.704 3.645 20 0 FHADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390837801 568307387 /nfs/dbraw/zinc/30/73/87/568307387.db2.gz AQHHMIBLBYHWBA-XMSQKQJNSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390837801 568307388 /nfs/dbraw/zinc/30/73/88/568307388.db2.gz AQHHMIBLBYHWBA-XMSQKQJNSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390837800 568307391 /nfs/dbraw/zinc/30/73/91/568307391.db2.gz AQHHMIBLBYHWBA-PGRDOPGGSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390837800 568307392 /nfs/dbraw/zinc/30/73/92/568307392.db2.gz AQHHMIBLBYHWBA-PGRDOPGGSA-N 2 2 356.485 3.637 20 0 FHADLP c1ccc([C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCS2)cc1 ZINC000643250634 568318296 /nfs/dbraw/zinc/31/82/96/568318296.db2.gz SHLGDHKWXRVUMX-JOCHJYFZSA-N 2 2 368.546 3.809 20 0 FHADLP c1ccc([C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCS2)cc1 ZINC000643250634 568318297 /nfs/dbraw/zinc/31/82/97/568318297.db2.gz SHLGDHKWXRVUMX-JOCHJYFZSA-N 2 2 368.546 3.809 20 0 FHADLP C[NH+](C)CC[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)C(C)(C)C ZINC000604773198 568363687 /nfs/dbraw/zinc/36/36/87/568363687.db2.gz KNBYZSJAPOMXCJ-PMACEKPBSA-N 2 2 359.558 3.696 20 0 FHADLP Cc1cc(NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000604756983 568365109 /nfs/dbraw/zinc/36/51/09/568365109.db2.gz PZEKBJDDPSIKSR-MRXNPFEDSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)nc(C2CC2)[nH+]1 ZINC000604756983 568365110 /nfs/dbraw/zinc/36/51/10/568365110.db2.gz PZEKBJDDPSIKSR-MRXNPFEDSA-N 2 2 350.510 3.928 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000365270620 568392858 /nfs/dbraw/zinc/39/28/58/568392858.db2.gz SVDFOUBUXGUMCP-JOCHJYFZSA-N 2 2 357.461 3.793 20 0 FHADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644853808 568435224 /nfs/dbraw/zinc/43/52/24/568435224.db2.gz QDJODSIIILPDCO-HXUWFJFHSA-N 2 2 368.525 3.655 20 0 FHADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000644853808 568435226 /nfs/dbraw/zinc/43/52/26/568435226.db2.gz QDJODSIIILPDCO-HXUWFJFHSA-N 2 2 368.525 3.655 20 0 FHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390887616 568461286 /nfs/dbraw/zinc/46/12/86/568461286.db2.gz WZWCALJAOIYYCP-GHTZIAJQSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390887616 568461289 /nfs/dbraw/zinc/46/12/89/568461289.db2.gz WZWCALJAOIYYCP-GHTZIAJQSA-N 2 2 356.485 3.637 20 0 FHADLP Cc1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164670742 719493595 /nfs/dbraw/zinc/49/35/95/719493595.db2.gz YEWIJVXXFUOUAY-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP Cc1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164670742 719493598 /nfs/dbraw/zinc/49/35/98/719493598.db2.gz YEWIJVXXFUOUAY-UHFFFAOYSA-N 2 2 369.484 3.709 20 0 FHADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815432 720201438 /nfs/dbraw/zinc/20/14/38/720201438.db2.gz ZDVQHYLBAXEHNV-KNQAVFIVSA-N 2 2 357.542 3.564 20 0 FHADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C(C)(C)C)c[nH+]1)C2 ZINC001164815432 720201443 /nfs/dbraw/zinc/20/14/43/720201443.db2.gz ZDVQHYLBAXEHNV-KNQAVFIVSA-N 2 2 357.542 3.564 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1 ZINC001164840136 720551924 /nfs/dbraw/zinc/55/19/24/720551924.db2.gz RPOSFYMLGMGLJO-PWRODBHTSA-N 2 2 367.541 3.779 20 0 FHADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1 ZINC001164840136 720551932 /nfs/dbraw/zinc/55/19/32/720551932.db2.gz RPOSFYMLGMGLJO-PWRODBHTSA-N 2 2 367.541 3.779 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028972 721820059 /nfs/dbraw/zinc/82/00/59/721820059.db2.gz YFMBYJJOUMZKHC-YSIASYRMSA-N 2 2 366.509 3.531 20 0 FHADLP COc1cc(C)c[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028972 721820061 /nfs/dbraw/zinc/82/00/61/721820061.db2.gz YFMBYJJOUMZKHC-YSIASYRMSA-N 2 2 366.509 3.531 20 0 FHADLP CCc1cc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995067 722204586 /nfs/dbraw/zinc/20/45/86/722204586.db2.gz KXWXRGVWWVWEDQ-NRFANRHFSA-N 2 2 354.473 3.731 20 0 FHADLP CCc1cc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC001164995067 722204587 /nfs/dbraw/zinc/20/45/87/722204587.db2.gz KXWXRGVWWVWEDQ-NRFANRHFSA-N 2 2 354.473 3.731 20 0 FHADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nn1 ZINC000582987467 936345737 /nfs/dbraw/zinc/34/57/37/936345737.db2.gz QIMAAYGSSZJYGB-UHFFFAOYSA-N 2 2 363.509 3.706 20 0 FHADLP Cc1ccccc1-n1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nn1 ZINC000582987467 936345741 /nfs/dbraw/zinc/34/57/41/936345741.db2.gz QIMAAYGSSZJYGB-UHFFFAOYSA-N 2 2 363.509 3.706 20 0 FHADLP Cn1nccc1C1=CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000582991835 936350434 /nfs/dbraw/zinc/35/04/34/936350434.db2.gz HVTGPRYBYRLVAX-UHFFFAOYSA-N 2 2 352.526 3.667 20 0 FHADLP Cn1nccc1C1=CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC1 ZINC000582991835 936350435 /nfs/dbraw/zinc/35/04/35/936350435.db2.gz HVTGPRYBYRLVAX-UHFFFAOYSA-N 2 2 352.526 3.667 20 0 FHADLP Cn1nccc1C1=CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000582991835 936350440 /nfs/dbraw/zinc/35/04/40/936350440.db2.gz HVTGPRYBYRLVAX-UHFFFAOYSA-N 2 2 352.526 3.667 20 0 FHADLP Cn1nccc1C1=CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000582991835 936350444 /nfs/dbraw/zinc/35/04/44/936350444.db2.gz HVTGPRYBYRLVAX-UHFFFAOYSA-N 2 2 352.526 3.667 20 0 FHADLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000583051350 937079778 /nfs/dbraw/zinc/07/97/78/937079778.db2.gz KTVGZRTWXZHVDM-CYBMUJFWSA-N 2 2 350.260 3.560 20 0 FHADLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000583051350 937079783 /nfs/dbraw/zinc/07/97/83/937079783.db2.gz KTVGZRTWXZHVDM-CYBMUJFWSA-N 2 2 350.260 3.560 20 0 FHADLP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000683141675 927440904 /nfs/dbraw/zinc/44/09/04/927440904.db2.gz QFPIDSUSDYXBFC-KRWDZBQOSA-N 2 2 360.571 3.707 20 0 FHADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166288 927487792 /nfs/dbraw/zinc/48/77/92/927487792.db2.gz OACOKBAHWXPHBM-QHCPKHFHSA-N 2 2 366.553 3.757 20 0 FHADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166288 927487796 /nfs/dbraw/zinc/48/77/96/927487796.db2.gz OACOKBAHWXPHBM-QHCPKHFHSA-N 2 2 366.553 3.757 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166288 927487803 /nfs/dbraw/zinc/48/78/03/927487803.db2.gz OACOKBAHWXPHBM-QHCPKHFHSA-N 2 2 366.553 3.757 20 0 FHADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(Cc4ccccc4)nc3C(C)(C)C)C2)C1 ZINC000430166288 927487809 /nfs/dbraw/zinc/48/78/09/927487809.db2.gz OACOKBAHWXPHBM-QHCPKHFHSA-N 2 2 366.553 3.757 20 0 FHADLP COc1cccc2c1CC[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)C2 ZINC000683160312 927602754 /nfs/dbraw/zinc/60/27/54/927602754.db2.gz LIMDGDVZKNTYPX-FPOVZHCZSA-N 2 2 361.489 3.860 20 0 FHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229287 928391066 /nfs/dbraw/zinc/39/10/66/928391066.db2.gz ALJWVJKJWLAJGD-NQIIRXRSSA-N 2 2 353.510 3.640 20 0 FHADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)n1 ZINC000683229287 928391082 /nfs/dbraw/zinc/39/10/82/928391082.db2.gz ALJWVJKJWLAJGD-NQIIRXRSSA-N 2 2 353.510 3.640 20 0 FHADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000162842810 937326616 /nfs/dbraw/zinc/32/66/16/937326616.db2.gz SNCYJLCHNMCSKQ-MRXNPFEDSA-N 2 2 354.454 3.581 20 0 FHADLP Cc1c[nH+]c2cc(-c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)ccn12 ZINC000655972652 929830081 /nfs/dbraw/zinc/83/00/81/929830081.db2.gz IUBYSASIDZMZIE-UHFFFAOYSA-N 2 2 359.433 3.956 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010286 929941187 /nfs/dbraw/zinc/94/11/87/929941187.db2.gz NTURYOJABIKKJN-ROUUACIJSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000548010286 929941194 /nfs/dbraw/zinc/94/11/94/929941194.db2.gz NTURYOJABIKKJN-ROUUACIJSA-N 2 2 366.509 3.653 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1 ZINC000123293447 929974921 /nfs/dbraw/zinc/97/49/21/929974921.db2.gz BJULOHAFINWRMZ-HOTGVXAUSA-N 2 2 373.464 3.568 20 0 FHADLP c1c[nH]c([C@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000092730033 937385572 /nfs/dbraw/zinc/38/55/72/937385572.db2.gz AAQICKFZJCOULJ-HXUWFJFHSA-N 2 2 354.498 3.612 20 0 FHADLP c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000092730033 937385576 /nfs/dbraw/zinc/38/55/76/937385576.db2.gz AAQICKFZJCOULJ-HXUWFJFHSA-N 2 2 354.498 3.612 20 0 FHADLP c1coc(-c2ncc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)s2)c1 ZINC000683765396 930083028 /nfs/dbraw/zinc/08/30/28/930083028.db2.gz MGFOMSBUBVIAQQ-UHFFFAOYSA-N 2 2 350.447 3.938 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1cc2ccccc2s1)[C@H]1CC12CC[NH2+]CC2 ZINC000275867582 930558026 /nfs/dbraw/zinc/55/80/26/930558026.db2.gz ZRMWTAYVMYAPBK-IBGZPJMESA-N 2 2 366.534 3.779 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CC12CC[NH2+]CC2 ZINC000275867582 930558031 /nfs/dbraw/zinc/55/80/31/930558031.db2.gz ZRMWTAYVMYAPBK-IBGZPJMESA-N 2 2 366.534 3.779 20 0 FHADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000398040119 930631718 /nfs/dbraw/zinc/63/17/18/930631718.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 2 363.549 3.761 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000398040119 930631720 /nfs/dbraw/zinc/63/17/20/930631720.db2.gz RMAOZGFBKZCLPP-AGILITTLSA-N 2 2 363.549 3.761 20 0 FHADLP Clc1ccc2c(c1)nccc2SCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000580461836 930703237 /nfs/dbraw/zinc/70/32/37/930703237.db2.gz HQVINOMOMRAIFK-UHFFFAOYSA-N 2 2 373.913 3.526 20 0 FHADLP CC(C)(C)n1ncc2c1nc[nH+]c2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000160516172 930728710 /nfs/dbraw/zinc/72/87/10/930728710.db2.gz BBRZYVMPIPAYMO-UHFFFAOYSA-N 2 2 364.497 3.789 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424382 930940576 /nfs/dbraw/zinc/94/05/76/930940576.db2.gz HXQSFXJHVVKGQF-RDJZCZTQSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424382 930940577 /nfs/dbraw/zinc/94/05/77/930940577.db2.gz HXQSFXJHVVKGQF-RDJZCZTQSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424382 930940583 /nfs/dbraw/zinc/94/05/83/930940583.db2.gz HXQSFXJHVVKGQF-RDJZCZTQSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C)s1 ZINC001167424382 930940585 /nfs/dbraw/zinc/94/05/85/930940585.db2.gz HXQSFXJHVVKGQF-RDJZCZTQSA-N 2 2 364.555 3.930 20 0 FHADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000580646107 930960403 /nfs/dbraw/zinc/96/04/03/930960403.db2.gz BAHFMMNPHJJPTJ-HNNXBMFYSA-N 2 2 355.507 3.636 20 0 FHADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000580860406 931275667 /nfs/dbraw/zinc/27/56/67/931275667.db2.gz ASJOTRUZWLUPBJ-XUEUYAKLSA-N 2 2 362.477 3.736 20 0 FHADLP Cn1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)nc2cc(Cl)ccc21 ZINC000581038479 931513590 /nfs/dbraw/zinc/51/35/90/931513590.db2.gz KYJWTPXNYYKECQ-UHFFFAOYSA-N 2 2 365.868 3.761 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560407 931846605 /nfs/dbraw/zinc/84/66/05/931846605.db2.gz WATUCEBMGVBNLB-VDGAXYAQSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)C1 ZINC000430560407 931846612 /nfs/dbraw/zinc/84/66/12/931846612.db2.gz WATUCEBMGVBNLB-VDGAXYAQSA-N 2 2 362.477 3.885 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560066 931850927 /nfs/dbraw/zinc/85/09/27/931850927.db2.gz YUUYYTCOQYSQKE-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000430560066 931850934 /nfs/dbraw/zinc/85/09/34/931850934.db2.gz YUUYYTCOQYSQKE-GXTWGEPZSA-N 2 2 364.287 3.663 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684208972 931908531 /nfs/dbraw/zinc/90/85/31/931908531.db2.gz OWKZGUWSXGYBHS-UHFFFAOYSA-N 2 2 364.287 3.629 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684208972 931908534 /nfs/dbraw/zinc/90/85/34/931908534.db2.gz OWKZGUWSXGYBHS-UHFFFAOYSA-N 2 2 364.287 3.629 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430578426 931935922 /nfs/dbraw/zinc/93/59/22/931935922.db2.gz WVLGFFMTRCJVII-SFTDATJTSA-N 2 2 373.928 3.509 20 0 FHADLP CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(C)c1 ZINC000656770772 932406922 /nfs/dbraw/zinc/40/69/22/932406922.db2.gz QMYMALVILVNRRU-UHFFFAOYSA-N 2 2 368.525 3.931 20 0 FHADLP Fc1cccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000656790254 932427816 /nfs/dbraw/zinc/42/78/16/932427816.db2.gz MDIDXTUQEBEMBY-QZTJIDSGSA-N 2 2 350.384 3.662 20 0 FHADLP FC1(F)CCC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000647172213 932467432 /nfs/dbraw/zinc/46/74/32/932467432.db2.gz MVOHQXCHYNWDHK-UHFFFAOYSA-N 2 2 365.512 3.752 20 0 FHADLP CCc1oc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1C(=O)OC ZINC000581730633 932570336 /nfs/dbraw/zinc/57/03/36/932570336.db2.gz PPQXSCXVHOYMLX-MRXNPFEDSA-N 2 2 370.493 3.944 20 0 FHADLP Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1cccc2[nH+]ccn21 ZINC000891570322 932775680 /nfs/dbraw/zinc/77/56/80/932775680.db2.gz UVAYUIISUUSCQM-QGZVFWFLSA-N 2 2 350.466 3.548 20 0 FHADLP CCCCc1noc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854570 933157008 /nfs/dbraw/zinc/15/70/08/933157008.db2.gz ATBMUONWBQOAJM-OALUTQOASA-N 2 2 356.514 3.584 20 0 FHADLP CCCCc1noc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471854570 933157012 /nfs/dbraw/zinc/15/70/12/933157012.db2.gz ATBMUONWBQOAJM-OALUTQOASA-N 2 2 356.514 3.584 20 0 FHADLP CC(=O)N(c1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1)c1ccc(C)cc1 ZINC000430925076 933422850 /nfs/dbraw/zinc/42/28/50/933422850.db2.gz KBMSYUZOXSFFHU-OAHLLOKOSA-N 2 2 372.538 3.695 20 0 FHADLP COC(=O)c1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)oc1C ZINC000431085567 933808937 /nfs/dbraw/zinc/80/89/37/933808937.db2.gz KFOQGNROERINMO-OCCSQVGLSA-N 2 2 359.470 3.534 20 0 FHADLP C[C@@H]([NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000510932526 934188045 /nfs/dbraw/zinc/18/80/45/934188045.db2.gz MHBYMOUEXZJASN-HGSOSGBHSA-N 2 2 350.506 3.669 20 0 FHADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000510932526 934188050 /nfs/dbraw/zinc/18/80/50/934188050.db2.gz MHBYMOUEXZJASN-HGSOSGBHSA-N 2 2 350.506 3.669 20 0 FHADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000535806257 934413944 /nfs/dbraw/zinc/41/39/44/934413944.db2.gz MVAQDYXXCHEBMO-AZUAARDMSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)s1 ZINC000535806257 934413947 /nfs/dbraw/zinc/41/39/47/934413947.db2.gz MVAQDYXXCHEBMO-AZUAARDMSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)s1 ZINC000535806257 934413951 /nfs/dbraw/zinc/41/39/51/934413951.db2.gz MVAQDYXXCHEBMO-AZUAARDMSA-N 2 2 370.566 3.696 20 0 FHADLP CN(C)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)s1 ZINC000535806257 934413954 /nfs/dbraw/zinc/41/39/54/934413954.db2.gz MVAQDYXXCHEBMO-AZUAARDMSA-N 2 2 370.566 3.696 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]([NH2+]CCCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000684614535 934558474 /nfs/dbraw/zinc/55/84/74/934558474.db2.gz YUJVOYAEXQVZCK-OAQYLSRUSA-N 2 2 361.489 3.861 20 0 FHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000448021460 934588533 /nfs/dbraw/zinc/58/85/33/934588533.db2.gz IRNYTTAJSRAJFO-MQSCRBSSSA-N 2 2 366.553 3.947 20 0 FHADLP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000448021460 934588537 /nfs/dbraw/zinc/58/85/37/934588537.db2.gz IRNYTTAJSRAJFO-MQSCRBSSSA-N 2 2 366.553 3.947 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ncc(Cl)s1 ZINC000472066273 934933480 /nfs/dbraw/zinc/93/34/80/934933480.db2.gz RMBHYHIBMPFTDQ-UHFFFAOYSA-N 2 2 353.919 3.807 20 0 FHADLP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657286487 934941467 /nfs/dbraw/zinc/94/14/67/934941467.db2.gz YTPNRFSHYDBUMJ-UHFFFAOYSA-N 2 2 374.326 3.907 20 0 FHADLP C[C@@H](Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)n1cc[nH+]c1 ZINC000563222715 935118460 /nfs/dbraw/zinc/11/84/60/935118460.db2.gz PKOXHQOBXQIWDY-INIZCTEOSA-N 2 2 351.454 3.723 20 0 FHADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657314414 935148789 /nfs/dbraw/zinc/14/87/89/935148789.db2.gz UZGJIYXTDPGKLJ-UHFFFAOYSA-N 2 2 366.431 3.502 20 0 FHADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657323014 935205746 /nfs/dbraw/zinc/20/57/46/935205746.db2.gz NOBYQJVDFGYCKX-MRXNPFEDSA-N 2 2 363.465 3.542 20 0 FHADLP Cn1c[nH+]cc1CCCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000563350224 935678128 /nfs/dbraw/zinc/67/81/28/935678128.db2.gz MUQCADASLNDGRD-UHFFFAOYSA-N 2 2 372.516 3.740 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000431410508 935697035 /nfs/dbraw/zinc/69/70/35/935697035.db2.gz QCZDNHNAOJGVBB-YQQQUEKLSA-N 2 2 364.468 3.742 20 0 FHADLP Cn1c2cc(F)ccc2[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000431410508 935697038 /nfs/dbraw/zinc/69/70/38/935697038.db2.gz QCZDNHNAOJGVBB-YQQQUEKLSA-N 2 2 364.468 3.742 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000582443717 935715585 /nfs/dbraw/zinc/71/55/85/935715585.db2.gz BIEHMTIVECDZQN-WOJBJXKFSA-N 2 2 363.590 3.752 20 0 FHADLP CN(C(=O)CC1(C)CCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000582443717 935715587 /nfs/dbraw/zinc/71/55/87/935715587.db2.gz BIEHMTIVECDZQN-WOJBJXKFSA-N 2 2 363.590 3.752 20 0 FHADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431434836 935790744 /nfs/dbraw/zinc/79/07/44/935790744.db2.gz XHRLXDOWGFDEBQ-HNNXBMFYSA-N 2 2 352.457 3.772 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149163 935799978 /nfs/dbraw/zinc/79/99/78/935799978.db2.gz DHUPWIVRUCLKDL-DNVCBOLYSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149163 935799981 /nfs/dbraw/zinc/79/99/81/935799981.db2.gz DHUPWIVRUCLKDL-DNVCBOLYSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000511149163 935799985 /nfs/dbraw/zinc/79/99/85/935799985.db2.gz DHUPWIVRUCLKDL-DNVCBOLYSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000511149163 935799990 /nfs/dbraw/zinc/79/99/90/935799990.db2.gz DHUPWIVRUCLKDL-DNVCBOLYSA-N 2 2 362.901 3.575 20 0 FHADLP Cc1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c2c([nH+]1)CCCC2 ZINC000892283156 935959302 /nfs/dbraw/zinc/95/93/02/935959302.db2.gz WZKGHIIQOKMYTR-UHFFFAOYSA-N 2 2 365.521 3.838 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106215937 945138395 /nfs/dbraw/zinc/13/83/95/945138395.db2.gz VACRKMIYYQWGRA-UONOGXRCSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000106215937 945138399 /nfs/dbraw/zinc/13/83/99/945138399.db2.gz VACRKMIYYQWGRA-UONOGXRCSA-N 2 2 357.483 3.955 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106214153 945138861 /nfs/dbraw/zinc/13/88/61/945138861.db2.gz IKFJEIPPOXZOSB-HKUYNNGSSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000106214153 945138866 /nfs/dbraw/zinc/13/88/66/945138866.db2.gz IKFJEIPPOXZOSB-HKUYNNGSSA-N 2 2 354.498 3.726 20 0 FHADLP C[NH+](C)CC[C@@H](c1ccc(NCc2cc[nH+]c(N)c2)cc1)c1ccccn1 ZINC001167616907 936117784 /nfs/dbraw/zinc/11/77/84/936117784.db2.gz SCAJTYIQZWJRQW-FQEVSTJZSA-N 2 2 361.493 3.755 20 0 FHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441463 938255410 /nfs/dbraw/zinc/25/54/10/938255410.db2.gz IQAGTRQVWQZJJI-UXHICEINSA-N 2 2 368.525 3.899 20 0 FHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441463 938255412 /nfs/dbraw/zinc/25/54/12/938255412.db2.gz IQAGTRQVWQZJJI-UXHICEINSA-N 2 2 368.525 3.899 20 0 FHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582924 938309799 /nfs/dbraw/zinc/30/97/99/938309799.db2.gz JWMJGOFJSCLZSM-LSDHHAIUSA-N 2 2 363.502 3.854 20 0 FHADLP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(F)cn1 ZINC000583582924 938309800 /nfs/dbraw/zinc/30/98/00/938309800.db2.gz JWMJGOFJSCLZSM-LSDHHAIUSA-N 2 2 363.502 3.854 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703521 938366139 /nfs/dbraw/zinc/36/61/39/938366139.db2.gz ADMNBEZEACTWCF-IRXDYDNUSA-N 2 2 354.523 3.959 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cn2ccccc2n1 ZINC000583703521 938366141 /nfs/dbraw/zinc/36/61/41/938366141.db2.gz ADMNBEZEACTWCF-IRXDYDNUSA-N 2 2 354.523 3.959 20 0 FHADLP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151133236 938400698 /nfs/dbraw/zinc/40/06/98/938400698.db2.gz YTQNJTOEGAHSKA-OAQYLSRUSA-N 2 2 353.441 3.995 20 0 FHADLP Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000189084066 938435532 /nfs/dbraw/zinc/43/55/32/938435532.db2.gz OKXLZBNFLIWHCG-AVRDEDQJSA-N 2 2 374.488 3.632 20 0 FHADLP OC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000536162378 938485704 /nfs/dbraw/zinc/48/57/04/938485704.db2.gz BZOMVJHEPFPVTG-SFHVURJKSA-N 2 2 361.367 3.714 20 0 FHADLP CN(C)c1c(C[NH2+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)ccc(F)c1F ZINC000623388796 938633193 /nfs/dbraw/zinc/63/31/93/938633193.db2.gz VNKZGEMNVJIDKP-CQSZACIVSA-N 2 2 362.468 3.629 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634139 938800648 /nfs/dbraw/zinc/80/06/48/938800648.db2.gz BTNJKMVWAAGBHP-KRWDZBQOSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634139 938800650 /nfs/dbraw/zinc/80/06/50/938800650.db2.gz BTNJKMVWAAGBHP-KRWDZBQOSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634139 938800652 /nfs/dbraw/zinc/80/06/52/938800652.db2.gz BTNJKMVWAAGBHP-KRWDZBQOSA-N 2 2 370.493 3.773 20 0 FHADLP CCOC(=O)c1oc2ccccc2c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634139 938800655 /nfs/dbraw/zinc/80/06/55/938800655.db2.gz BTNJKMVWAAGBHP-KRWDZBQOSA-N 2 2 370.493 3.773 20 0 FHADLP Cc1ncc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)n1-c1ccccc1 ZINC000084013963 938817964 /nfs/dbraw/zinc/81/79/64/938817964.db2.gz FTRXDKLJHHFYHK-UHFFFAOYSA-N 2 2 357.461 3.715 20 0 FHADLP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000090667950 938881855 /nfs/dbraw/zinc/88/18/55/938881855.db2.gz KMRSJCYJEXFQLZ-KKSFZXQISA-N 2 2 351.494 3.893 20 0 FHADLP COCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043753 938910069 /nfs/dbraw/zinc/91/00/69/938910069.db2.gz FNDPFYCCDPACCK-DENIHFKCSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)o1 ZINC000092043753 938910071 /nfs/dbraw/zinc/91/00/71/938910071.db2.gz FNDPFYCCDPACCK-DENIHFKCSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)o1 ZINC000092043753 938910072 /nfs/dbraw/zinc/91/00/72/938910072.db2.gz FNDPFYCCDPACCK-DENIHFKCSA-N 2 2 354.494 3.913 20 0 FHADLP COCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)o1 ZINC000092043753 938910075 /nfs/dbraw/zinc/91/00/75/938910075.db2.gz FNDPFYCCDPACCK-DENIHFKCSA-N 2 2 354.494 3.913 20 0 FHADLP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(C)C ZINC000092066802 938910427 /nfs/dbraw/zinc/91/04/27/938910427.db2.gz AUNIFIFUTKLINN-YLJYHZDGSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1OC(C)C ZINC000092066802 938910428 /nfs/dbraw/zinc/91/04/28/938910428.db2.gz AUNIFIFUTKLINN-YLJYHZDGSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1OC(C)C ZINC000092066802 938910429 /nfs/dbraw/zinc/91/04/29/938910429.db2.gz AUNIFIFUTKLINN-YLJYHZDGSA-N 2 2 358.526 3.931 20 0 FHADLP COc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1OC(C)C ZINC000092066802 938910430 /nfs/dbraw/zinc/91/04/30/938910430.db2.gz AUNIFIFUTKLINN-YLJYHZDGSA-N 2 2 358.526 3.931 20 0 FHADLP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000092746400 938921197 /nfs/dbraw/zinc/92/11/97/938921197.db2.gz NZIYYTDRVTYDER-GJZGRUSLSA-N 2 2 360.452 3.523 20 0 FHADLP C[N@H+](Cc1ccc2occc2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428209 938985453 /nfs/dbraw/zinc/98/54/53/938985453.db2.gz ZPMSGSOSXHYAPO-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[N@@H+](Cc1ccc2occc2c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000685428209 938985454 /nfs/dbraw/zinc/98/54/54/938985454.db2.gz ZPMSGSOSXHYAPO-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1ccc2occc2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000685428209 938985455 /nfs/dbraw/zinc/98/54/55/938985455.db2.gz ZPMSGSOSXHYAPO-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[NH+](Cc1ccc2occc2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000685428209 938985456 /nfs/dbraw/zinc/98/54/56/938985456.db2.gz ZPMSGSOSXHYAPO-QFIPXVFZSA-N 2 2 350.462 3.502 20 0 FHADLP C[C@@H]([NH2+]C1(C[NH2+]C2CC(CF)(CF)C2)CCOCC1)c1ccccc1 ZINC000657891384 938988170 /nfs/dbraw/zinc/98/81/70/938988170.db2.gz XCGDPSRWAMLLNN-MRXNPFEDSA-N 2 2 352.469 3.564 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000685470805 938989384 /nfs/dbraw/zinc/98/93/84/938989384.db2.gz RZSBUFGDVSLJFW-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000685470805 938989385 /nfs/dbraw/zinc/98/93/85/938989385.db2.gz RZSBUFGDVSLJFW-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000685470805 938989386 /nfs/dbraw/zinc/98/93/86/938989386.db2.gz RZSBUFGDVSLJFW-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP CCOc1c(Cl)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000685470805 938989387 /nfs/dbraw/zinc/98/93/87/938989387.db2.gz RZSBUFGDVSLJFW-DOTOQJQBSA-N 2 2 352.906 3.663 20 0 FHADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(-n3ccnc3)cc2C)CC1 ZINC000685579247 939002143 /nfs/dbraw/zinc/00/21/43/939002143.db2.gz JYBUVUYVAKNFLO-UHFFFAOYSA-N 2 2 362.477 3.928 20 0 FHADLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)nc2)CC1 ZINC000658077484 939021164 /nfs/dbraw/zinc/02/11/64/939021164.db2.gz CXMCIFSWBZGNML-CJNGLKHVSA-N 2 2 356.436 3.628 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090574 939022287 /nfs/dbraw/zinc/02/22/87/939022287.db2.gz HWATXUSHLXHTKG-ZIAGYGMSSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090574 939022288 /nfs/dbraw/zinc/02/22/88/939022288.db2.gz HWATXUSHLXHTKG-ZIAGYGMSSA-N 2 2 371.447 3.885 20 0 FHADLP FC(F)(F)[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)OC1CCCC1 ZINC000658123051 939033002 /nfs/dbraw/zinc/03/30/02/939033002.db2.gz IVATVFGQJRYKJW-INIZCTEOSA-N 2 2 357.420 3.530 20 0 FHADLP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)n1 ZINC000658193636 939065423 /nfs/dbraw/zinc/06/54/23/939065423.db2.gz GFKKJXOLFNTDGX-PXNSSMCTSA-N 2 2 351.498 3.702 20 0 FHADLP CCC(CC)n1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000506023527 945226780 /nfs/dbraw/zinc/22/67/80/945226780.db2.gz ZLXIDJXRRLAOKC-UHFFFAOYSA-N 2 2 362.562 3.569 20 0 FHADLP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293825 939100476 /nfs/dbraw/zinc/10/04/76/939100476.db2.gz DBERPOBGLVHAMB-DNVCBOLYSA-N 2 2 370.459 3.869 20 0 FHADLP C/C=C\COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000658294688 939101137 /nfs/dbraw/zinc/10/11/37/939101137.db2.gz OUUIJQBGJIETMS-QIAXLSBHSA-N 2 2 372.553 3.806 20 0 FHADLP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658297009 939102246 /nfs/dbraw/zinc/10/22/46/939102246.db2.gz XIOODTGOLKWMKO-MJGOQNOKSA-N 2 2 370.459 3.869 20 0 FHADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316341 939109196 /nfs/dbraw/zinc/10/91/96/939109196.db2.gz DZOZYLILMUNFLU-ICSRJNTNSA-N 2 2 352.526 3.856 20 0 FHADLP CCn1ccnc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000658316341 939109197 /nfs/dbraw/zinc/10/91/97/939109197.db2.gz DZOZYLILMUNFLU-ICSRJNTNSA-N 2 2 352.526 3.856 20 0 FHADLP COCC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccco1 ZINC000507429890 945231454 /nfs/dbraw/zinc/23/14/54/945231454.db2.gz QPYMMUDHVGZMGW-FQEVSTJZSA-N 2 2 360.473 3.793 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831506 939952710 /nfs/dbraw/zinc/95/27/10/939952710.db2.gz UDVIKGYKDHJHCF-XEKQOVJPSA-N 2 2 366.431 3.571 20 0 FHADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1cc(F)c(F)c(F)c1 ZINC000375831506 939952711 /nfs/dbraw/zinc/95/27/11/939952711.db2.gz UDVIKGYKDHJHCF-XEKQOVJPSA-N 2 2 366.431 3.571 20 0 FHADLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC000375904458 940045907 /nfs/dbraw/zinc/04/59/07/940045907.db2.gz KDHHOXBVDJFHIN-UHFFFAOYSA-N 2 2 351.494 3.721 20 0 FHADLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCc3ccccn3)cc1)CC2 ZINC000375904458 940045911 /nfs/dbraw/zinc/04/59/11/940045911.db2.gz KDHHOXBVDJFHIN-UHFFFAOYSA-N 2 2 351.494 3.721 20 0 FHADLP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc2ccccc2o1 ZINC000570079370 940125320 /nfs/dbraw/zinc/12/53/20/940125320.db2.gz HUIQKJZDJKDVOC-IBGZPJMESA-N 2 2 353.470 3.505 20 0 FHADLP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000668785592 940283044 /nfs/dbraw/zinc/28/30/44/940283044.db2.gz SPEJAAPMNJZJQV-CRAIPNDOSA-N 2 2 369.347 3.595 20 0 FHADLP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Br)c1 ZINC000668785592 940283045 /nfs/dbraw/zinc/28/30/45/940283045.db2.gz SPEJAAPMNJZJQV-CRAIPNDOSA-N 2 2 369.347 3.595 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccc(F)cc43)CCC[N@@H+]2C)cn1 ZINC000376168424 940409588 /nfs/dbraw/zinc/40/95/88/940409588.db2.gz WPBHZJOONWZZAH-DJKXOVBDSA-N 2 2 374.529 3.769 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+][C@@H]3CCSc4ccc(F)cc43)CCC[N@H+]2C)cn1 ZINC000376168424 940409591 /nfs/dbraw/zinc/40/95/91/940409591.db2.gz WPBHZJOONWZZAH-DJKXOVBDSA-N 2 2 374.529 3.769 20 0 FHADLP COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000414056426 940461266 /nfs/dbraw/zinc/46/12/66/940461266.db2.gz DKJGTNJTZSYDRR-OAHLLOKOSA-N 2 2 373.522 3.766 20 0 FHADLP COc1ccc(C[C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)cn1 ZINC000414090963 940496229 /nfs/dbraw/zinc/49/62/29/940496229.db2.gz DBSCVBHGYSMHFU-RXVVDRJESA-N 2 2 364.493 3.866 20 0 FHADLP COc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163702593 941094694 /nfs/dbraw/zinc/09/46/94/941094694.db2.gz FYDAKXBPLNJPHK-LJQANCHMSA-N 2 2 368.521 3.638 20 0 FHADLP CC(C)(C)OC(=O)NC1CCC([NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)CC1 ZINC000311245914 941150589 /nfs/dbraw/zinc/15/05/89/941150589.db2.gz JCOIGTAHTGZQBJ-OFLPRAFFSA-N 2 2 364.534 3.723 20 0 FHADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc([C@H](C)[NH3+])cc3)cn2c1 ZINC000178235589 941212589 /nfs/dbraw/zinc/21/25/89/941212589.db2.gz MYUJDQLWTZHPNK-AWEZNQCLSA-N 2 2 354.479 3.534 20 0 FHADLP C[NH+](C)CC1(C[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CCCC1 ZINC000545352964 941498955 /nfs/dbraw/zinc/49/89/55/941498955.db2.gz NNWODMILRWTLFB-UHFFFAOYSA-N 2 2 373.522 3.750 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000415011559 941540254 /nfs/dbraw/zinc/54/02/54/941540254.db2.gz WDNSMJWIEDPPTE-UZLBHIALSA-N 3 2 370.497 3.556 20 0 FHADLP CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039689 941560204 /nfs/dbraw/zinc/56/02/04/941560204.db2.gz JMCBGBSTBZSULC-RDJZCZTQSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(Cl)c1OC ZINC000415039689 941560205 /nfs/dbraw/zinc/56/02/05/941560205.db2.gz JMCBGBSTBZSULC-RDJZCZTQSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415040803 941560962 /nfs/dbraw/zinc/56/09/62/941560962.db2.gz KTFVEQHUROGASG-NVXWUHKLSA-N 2 2 352.906 3.711 20 0 FHADLP CCOc1c(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415040803 941560965 /nfs/dbraw/zinc/56/09/65/941560965.db2.gz KTFVEQHUROGASG-NVXWUHKLSA-N 2 2 352.906 3.711 20 0 FHADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000893018974 941893475 /nfs/dbraw/zinc/89/34/75/941893475.db2.gz OXKWKZQXVOUDBX-UHFFFAOYSA-N 2 2 350.466 3.733 20 0 FHADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1nccn1C1CC1 ZINC000893018974 941893477 /nfs/dbraw/zinc/89/34/77/941893477.db2.gz OXKWKZQXVOUDBX-UHFFFAOYSA-N 2 2 350.466 3.733 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)o1 ZINC000893021944 941899254 /nfs/dbraw/zinc/89/92/54/941899254.db2.gz XAKBFBPGJQBIJX-KXBFYZLASA-N 2 2 364.511 3.539 20 0 FHADLP COCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)o1 ZINC000893021944 941899257 /nfs/dbraw/zinc/89/92/57/941899257.db2.gz XAKBFBPGJQBIJX-KXBFYZLASA-N 2 2 364.511 3.539 20 0 FHADLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2c(c1)OCCCO2 ZINC000513404927 941899640 /nfs/dbraw/zinc/89/96/40/941899640.db2.gz BOPSMVBITHORKC-IBGZPJMESA-N 2 2 358.526 3.936 20 0 FHADLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2c(c1)OCCCO2 ZINC000513404927 941899645 /nfs/dbraw/zinc/89/96/45/941899645.db2.gz BOPSMVBITHORKC-IBGZPJMESA-N 2 2 358.526 3.936 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000377720452 941934288 /nfs/dbraw/zinc/93/42/88/941934288.db2.gz NIMDGCQRBBQMFE-INIZCTEOSA-N 2 2 358.461 3.639 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1F ZINC000377720452 941934292 /nfs/dbraw/zinc/93/42/92/941934292.db2.gz NIMDGCQRBBQMFE-INIZCTEOSA-N 2 2 358.461 3.639 20 0 FHADLP CC(C)c1ncc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000513502625 941975372 /nfs/dbraw/zinc/97/53/72/941975372.db2.gz CAXQKWAKWPPVOP-UHFFFAOYSA-N 2 2 372.582 3.516 20 0 FHADLP CC(C)c1ncc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000513502625 941975374 /nfs/dbraw/zinc/97/53/74/941975374.db2.gz CAXQKWAKWPPVOP-UHFFFAOYSA-N 2 2 372.582 3.516 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000377779852 941984172 /nfs/dbraw/zinc/98/41/72/941984172.db2.gz CBDXHCBUDPQHEM-AKTGSIICSA-N 2 2 371.550 3.974 20 0 FHADLP COc1ccccc1/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000377779852 941984175 /nfs/dbraw/zinc/98/41/75/941984175.db2.gz CBDXHCBUDPQHEM-AKTGSIICSA-N 2 2 371.550 3.974 20 0 FHADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CCCO1 ZINC000430031983 941986056 /nfs/dbraw/zinc/98/60/56/941986056.db2.gz AWIHWQJKHVRNJR-INIZCTEOSA-N 2 2 366.933 3.719 20 0 FHADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CCCO1 ZINC000430031983 941986061 /nfs/dbraw/zinc/98/60/61/941986061.db2.gz AWIHWQJKHVRNJR-INIZCTEOSA-N 2 2 366.933 3.719 20 0 FHADLP C[N@@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434001104 942035727 /nfs/dbraw/zinc/03/57/27/942035727.db2.gz GYWNXASIDPTVKM-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[N@H+](Cc1cccc(Br)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434001104 942035728 /nfs/dbraw/zinc/03/57/28/942035728.db2.gz GYWNXASIDPTVKM-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434001104 942035734 /nfs/dbraw/zinc/03/57/34/942035734.db2.gz GYWNXASIDPTVKM-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP C[NH+](Cc1cccc(Br)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434001104 942035735 /nfs/dbraw/zinc/03/57/35/942035735.db2.gz GYWNXASIDPTVKM-HKUYNNGSSA-N 2 2 374.326 3.969 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012583 942040183 /nfs/dbraw/zinc/04/01/83/942040183.db2.gz QVUMZNRWKCETSP-JFJDKTSWSA-N 2 2 366.553 3.929 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012583 942040187 /nfs/dbraw/zinc/04/01/87/942040187.db2.gz QVUMZNRWKCETSP-JFJDKTSWSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012583 942040190 /nfs/dbraw/zinc/04/01/90/942040190.db2.gz QVUMZNRWKCETSP-JFJDKTSWSA-N 2 2 366.553 3.929 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434012583 942040194 /nfs/dbraw/zinc/04/01/94/942040194.db2.gz QVUMZNRWKCETSP-JFJDKTSWSA-N 2 2 366.553 3.929 20 0 FHADLP C[N@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025253 942052388 /nfs/dbraw/zinc/05/23/88/942052388.db2.gz LZZLPJBXOGDBJA-JATIFAPOSA-N 2 2 357.448 3.998 20 0 FHADLP C[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025253 942052392 /nfs/dbraw/zinc/05/23/92/942052392.db2.gz LZZLPJBXOGDBJA-JATIFAPOSA-N 2 2 357.448 3.998 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025253 942052399 /nfs/dbraw/zinc/05/23/99/942052399.db2.gz LZZLPJBXOGDBJA-JATIFAPOSA-N 2 2 357.448 3.998 20 0 FHADLP C[NH+](C/C=C\c1ccc(F)cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025253 942052405 /nfs/dbraw/zinc/05/24/05/942052405.db2.gz LZZLPJBXOGDBJA-JATIFAPOSA-N 2 2 357.448 3.998 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2C)[C@@H]1c1cnn(C)c1 ZINC000434026204 942052833 /nfs/dbraw/zinc/05/28/33/942052833.db2.gz RSRHOHFKDLRQBN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2C)[C@@H]1c1cnn(C)c1 ZINC000434026204 942052838 /nfs/dbraw/zinc/05/28/38/942052838.db2.gz RSRHOHFKDLRQBN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C)[C@@H]1c1cnn(C)c1 ZINC000434026204 942052844 /nfs/dbraw/zinc/05/28/44/942052844.db2.gz RSRHOHFKDLRQBN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C)[C@@H]1c1cnn(C)c1 ZINC000434026204 942052849 /nfs/dbraw/zinc/05/28/49/942052849.db2.gz RSRHOHFKDLRQBN-GHTZIAJQSA-N 2 2 358.505 3.773 20 0 FHADLP Clc1ccc2[nH+]ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)c2c1 ZINC000513650247 942055396 /nfs/dbraw/zinc/05/53/96/942055396.db2.gz LAORHMKQQNSTPC-UHFFFAOYSA-N 2 2 367.880 3.754 20 0 FHADLP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1 ZINC000415917064 942141651 /nfs/dbraw/zinc/14/16/51/942141651.db2.gz JKCFWBNDNLBZSX-INIZCTEOSA-N 2 2 372.538 3.768 20 0 FHADLP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000513692067 942160971 /nfs/dbraw/zinc/16/09/71/942160971.db2.gz YDNDHCUKGOHSBU-CQSZACIVSA-N 2 2 355.463 3.630 20 0 FHADLP CCc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1C ZINC000182010184 942193357 /nfs/dbraw/zinc/19/33/57/942193357.db2.gz NEXHPVPJCCXCSU-UHFFFAOYSA-N 2 2 372.557 3.629 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000182092752 942204293 /nfs/dbraw/zinc/20/42/93/942204293.db2.gz JJIRHBXQGUNJBI-ZDUSSCGKSA-N 2 2 353.388 3.615 20 0 FHADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000182092752 942204301 /nfs/dbraw/zinc/20/43/01/942204301.db2.gz JJIRHBXQGUNJBI-ZDUSSCGKSA-N 2 2 353.388 3.615 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187847122 942229870 /nfs/dbraw/zinc/22/98/70/942229870.db2.gz ZCFJBHORYAHYRX-SFHVURJKSA-N 2 2 351.853 3.838 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000187847122 942229877 /nfs/dbraw/zinc/22/98/77/942229877.db2.gz ZCFJBHORYAHYRX-SFHVURJKSA-N 2 2 351.853 3.838 20 0 FHADLP Cc1cc(CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000420903941 942246469 /nfs/dbraw/zinc/24/64/69/942246469.db2.gz BCJNLGXXWOQVJK-GOSISDBHSA-N 2 2 366.509 3.723 20 0 FHADLP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000420903740 942246589 /nfs/dbraw/zinc/24/65/89/942246589.db2.gz OSIAIDXJVXXAGQ-UHFFFAOYSA-N 2 2 372.553 3.833 20 0 FHADLP COc1ccccc1C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420909472 942249636 /nfs/dbraw/zinc/24/96/36/942249636.db2.gz YQUDBNSJDLXRGT-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP COc1ccccc1C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000420909472 942249640 /nfs/dbraw/zinc/24/96/40/942249640.db2.gz YQUDBNSJDLXRGT-UHFFFAOYSA-N 2 2 366.505 3.692 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951969 942273107 /nfs/dbraw/zinc/27/31/07/942273107.db2.gz RKJPGITULDDDTM-MOPGFXCFSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000420951969 942273110 /nfs/dbraw/zinc/27/31/10/942273110.db2.gz RKJPGITULDDDTM-MOPGFXCFSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951969 942273118 /nfs/dbraw/zinc/27/31/18/942273118.db2.gz RKJPGITULDDDTM-MOPGFXCFSA-N 2 2 370.459 3.942 20 0 FHADLP FC(F)(F)C[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000420951969 942273122 /nfs/dbraw/zinc/27/31/22/942273122.db2.gz RKJPGITULDDDTM-MOPGFXCFSA-N 2 2 370.459 3.942 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000420983228 942281264 /nfs/dbraw/zinc/28/12/64/942281264.db2.gz QEXAGUKVHMALHN-KRWDZBQOSA-N 2 2 362.562 3.525 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000420983228 942281271 /nfs/dbraw/zinc/28/12/71/942281271.db2.gz QEXAGUKVHMALHN-KRWDZBQOSA-N 2 2 362.562 3.525 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983761 942282022 /nfs/dbraw/zinc/28/20/22/942282022.db2.gz RLKHYUINYRKRDQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983761 942282027 /nfs/dbraw/zinc/28/20/27/942282027.db2.gz RLKHYUINYRKRDQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983761 942282030 /nfs/dbraw/zinc/28/20/30/942282030.db2.gz RLKHYUINYRKRDQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000420983761 942282034 /nfs/dbraw/zinc/28/20/34/942282034.db2.gz RLKHYUINYRKRDQ-MRXNPFEDSA-N 2 2 351.485 3.518 20 0 FHADLP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502344155 942371800 /nfs/dbraw/zinc/37/18/00/942371800.db2.gz UZQIDCHKRRSVBB-MRXNPFEDSA-N 2 2 355.482 3.616 20 0 FHADLP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000502344155 942371803 /nfs/dbraw/zinc/37/18/03/942371803.db2.gz UZQIDCHKRRSVBB-MRXNPFEDSA-N 2 2 355.482 3.616 20 0 FHADLP C/C(=C\c1ccccc1C(F)(F)F)C[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000501448334 942482392 /nfs/dbraw/zinc/48/23/92/942482392.db2.gz WRMATONNTRSNCZ-NTCAYCPXSA-N 2 2 356.432 3.809 20 0 FHADLP CC[N@H+](CCC1CC[NH+](Cc2nn(C)c(C)c2Cl)CC1)CC1CC1 ZINC000421331832 942505948 /nfs/dbraw/zinc/50/59/48/942505948.db2.gz DYCQOLYCTNBVJY-UHFFFAOYSA-N 2 2 352.954 3.716 20 0 FHADLP CC[N@@H+](CCC1CC[NH+](Cc2nn(C)c(C)c2Cl)CC1)CC1CC1 ZINC000421331832 942505950 /nfs/dbraw/zinc/50/59/50/942505950.db2.gz DYCQOLYCTNBVJY-UHFFFAOYSA-N 2 2 352.954 3.716 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000420318577 942620360 /nfs/dbraw/zinc/62/03/60/942620360.db2.gz QJOJIOBLITWYCS-APWZRJJASA-N 2 2 363.461 3.687 20 0 FHADLP COc1ccc2ccccc2c1-c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)on1 ZINC000420318577 942620364 /nfs/dbraw/zinc/62/03/64/942620364.db2.gz QJOJIOBLITWYCS-APWZRJJASA-N 2 2 363.461 3.687 20 0 FHADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000420352410 942634911 /nfs/dbraw/zinc/63/49/11/942634911.db2.gz ACSLRWNMPQVXJY-UYAOXDASSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401418 942661119 /nfs/dbraw/zinc/66/11/19/942661119.db2.gz JGXKCNQGFYHWAS-YRGRVCCFSA-N 2 2 368.403 3.733 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420401418 942661125 /nfs/dbraw/zinc/66/11/25/942661125.db2.gz JGXKCNQGFYHWAS-YRGRVCCFSA-N 2 2 368.403 3.733 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502733614 942702914 /nfs/dbraw/zinc/70/29/14/942702914.db2.gz XHKSXTWERSDCST-LJQANCHMSA-N 2 2 353.445 3.948 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000502733614 942702922 /nfs/dbraw/zinc/70/29/22/942702922.db2.gz XHKSXTWERSDCST-LJQANCHMSA-N 2 2 353.445 3.948 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428793 942753965 /nfs/dbraw/zinc/75/39/65/942753965.db2.gz KENGSEXRZJWZPX-YZVOILCLSA-N 2 2 354.523 3.978 20 0 FHADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1nc2ccccc2n1C ZINC000378428793 942753973 /nfs/dbraw/zinc/75/39/73/942753973.db2.gz KENGSEXRZJWZPX-YZVOILCLSA-N 2 2 354.523 3.978 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000378470602 942806984 /nfs/dbraw/zinc/80/69/84/942806984.db2.gz CJTSOZXGXDXOOK-PPULILFRSA-N 2 2 370.541 3.593 20 0 FHADLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000378470602 942806993 /nfs/dbraw/zinc/80/69/93/942806993.db2.gz CJTSOZXGXDXOOK-PPULILFRSA-N 2 2 370.541 3.593 20 0 FHADLP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccncc3Cl)cc2)CC1 ZINC000421821834 942832149 /nfs/dbraw/zinc/83/21/49/942832149.db2.gz UKUVPVUDSMXHLJ-QGZVFWFLSA-N 2 2 372.944 3.723 20 0 FHADLP Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cn2cc[nH+]c12 ZINC000502980748 942893100 /nfs/dbraw/zinc/89/31/00/942893100.db2.gz IFKUNDICAITHGG-QGZVFWFLSA-N 2 2 366.440 3.633 20 0 FHADLP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cn2cc[nH+]c12 ZINC000502980748 942893105 /nfs/dbraw/zinc/89/31/05/942893105.db2.gz IFKUNDICAITHGG-QGZVFWFLSA-N 2 2 366.440 3.633 20 0 FHADLP CSc1ccc(OCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434746857 942938133 /nfs/dbraw/zinc/93/81/33/942938133.db2.gz OVPQEBKEYQNCKX-RXVVDRJESA-N 2 2 371.550 3.807 20 0 FHADLP CSc1ccc(OCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000434746857 942938140 /nfs/dbraw/zinc/93/81/40/942938140.db2.gz OVPQEBKEYQNCKX-RXVVDRJESA-N 2 2 371.550 3.807 20 0 FHADLP CSc1ccc(OCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434746857 942938145 /nfs/dbraw/zinc/93/81/45/942938145.db2.gz OVPQEBKEYQNCKX-RXVVDRJESA-N 2 2 371.550 3.807 20 0 FHADLP CSc1ccc(OCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000434746857 942938148 /nfs/dbraw/zinc/93/81/48/942938148.db2.gz OVPQEBKEYQNCKX-RXVVDRJESA-N 2 2 371.550 3.807 20 0 FHADLP CC[N@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](C)C1 ZINC000430055421 943016741 /nfs/dbraw/zinc/01/67/41/943016741.db2.gz YHLCUKBSOINYTE-MJFSBKNWSA-N 2 2 355.295 3.764 20 0 FHADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)[C@@H](C)C1 ZINC000430055421 943016747 /nfs/dbraw/zinc/01/67/47/943016747.db2.gz YHLCUKBSOINYTE-MJFSBKNWSA-N 2 2 355.295 3.764 20 0 FHADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411846 943170720 /nfs/dbraw/zinc/17/07/20/943170720.db2.gz QYOMEYNDFPFUCG-LJQANCHMSA-N 2 2 374.573 3.539 20 0 FHADLP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503411846 943170722 /nfs/dbraw/zinc/17/07/22/943170722.db2.gz QYOMEYNDFPFUCG-LJQANCHMSA-N 2 2 374.573 3.539 20 0 FHADLP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OCc1ccccc1 ZINC000422559971 943181643 /nfs/dbraw/zinc/18/16/43/943181643.db2.gz FLFBEFLCYSJMCE-UHFFFAOYSA-N 2 2 352.478 3.602 20 0 FHADLP Cc1ccc([C@H](CNC2CC[NH+](CCC(F)(F)F)CC2)[NH+](C)C)cc1 ZINC000272638282 943191426 /nfs/dbraw/zinc/19/14/26/943191426.db2.gz BYCXGKBSCLIUIU-SFHVURJKSA-N 2 2 357.464 3.604 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1C[NH3+] ZINC000422639647 943207580 /nfs/dbraw/zinc/20/75/80/943207580.db2.gz UAUGBCFHQSDGKO-MBNYWOFBSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1C[NH3+] ZINC000422639647 943207585 /nfs/dbraw/zinc/20/75/85/943207585.db2.gz UAUGBCFHQSDGKO-MBNYWOFBSA-N 2 2 368.403 3.561 20 0 FHADLP CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc21 ZINC000272716586 943208417 /nfs/dbraw/zinc/20/84/17/943208417.db2.gz YVPRBAKDWMFUFM-ROUUACIJSA-N 2 2 356.470 3.574 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422704128 943239631 /nfs/dbraw/zinc/23/96/31/943239631.db2.gz OPBZAAGZOCIHKW-RBBKRZOGSA-N 2 2 364.493 3.587 20 0 FHADLP CCOc1ccccc1Oc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cn1 ZINC000422689319 943246002 /nfs/dbraw/zinc/24/60/02/943246002.db2.gz FELHVUPCRCXTJZ-ROUUACIJSA-N 2 2 355.482 3.893 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660125343 943257251 /nfs/dbraw/zinc/25/72/51/943257251.db2.gz GVVUGHKEFDKGEO-HXUWFJFHSA-N 2 2 373.585 3.771 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660125343 943257254 /nfs/dbraw/zinc/25/72/54/943257254.db2.gz GVVUGHKEFDKGEO-HXUWFJFHSA-N 2 2 373.585 3.771 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422748863 943270454 /nfs/dbraw/zinc/27/04/54/943270454.db2.gz WNTGUGRJUZRHPA-WMZOPIPTSA-N 3 2 352.526 3.725 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2ccc3ccccc3n2)[C@H]2CCC[NH2+]2)cc1 ZINC000422782861 943281612 /nfs/dbraw/zinc/28/16/12/943281612.db2.gz NNBFHZCUMDCSMF-DHIUTWEWSA-N 2 2 361.489 3.869 20 0 FHADLP c1cn(CCCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000422826011 943297416 /nfs/dbraw/zinc/29/74/16/943297416.db2.gz BHUBEBUMCGDYLS-PWRODBHTSA-N 2 2 352.526 3.526 20 0 FHADLP CC[C@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000422831357 943299036 /nfs/dbraw/zinc/29/90/36/943299036.db2.gz DXLZHEBAUXIKIK-SFTDATJTSA-N 2 2 361.493 3.555 20 0 FHADLP c1sc(CCc2ccccc2)nc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422853875 943306636 /nfs/dbraw/zinc/30/66/36/943306636.db2.gz SYQSJTTUWADZFU-SLFFLAALSA-N 2 2 355.551 3.939 20 0 FHADLP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422888255 943318323 /nfs/dbraw/zinc/31/83/23/943318323.db2.gz CHKYKZHNKDZSTM-RTWAWAEBSA-N 3 2 353.510 3.642 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCOc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422889231 943319113 /nfs/dbraw/zinc/31/91/13/943319113.db2.gz PBHSJMGMDYLYLD-XJABCFGWSA-N 2 2 352.478 3.644 20 0 FHADLP COc1ccc(C[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913921 943328990 /nfs/dbraw/zinc/32/89/90/943328990.db2.gz ZKARTNXXUSFMCX-UXPWSPDFSA-N 2 2 354.494 3.718 20 0 FHADLP COc1ccc(C[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)c2ccccc2)cc1OC ZINC000422913918 943329184 /nfs/dbraw/zinc/32/91/84/943329184.db2.gz ZKARTNXXUSFMCX-NSISKUIASA-N 2 2 354.494 3.718 20 0 FHADLP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000422893167 943330258 /nfs/dbraw/zinc/33/02/58/943330258.db2.gz PDPVPCCHBZMOAX-WDEREUQCSA-N 2 2 366.328 3.831 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000422929796 943335314 /nfs/dbraw/zinc/33/53/14/943335314.db2.gz ACHHTMUIAHYNTR-BVGQSLNGSA-N 2 2 367.331 3.647 20 0 FHADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966520 943343378 /nfs/dbraw/zinc/34/33/78/943343378.db2.gz AKQWOYYYXYPUJM-AVRDEDQJSA-N 2 2 361.489 3.709 20 0 FHADLP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000422955353 943348835 /nfs/dbraw/zinc/34/88/35/943348835.db2.gz JASXDELAQIZBEE-UGKGYDQZSA-N 2 2 364.493 3.740 20 0 FHADLP COc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435394859 943379943 /nfs/dbraw/zinc/37/99/43/943379943.db2.gz PHMPAVXRELBYIX-GOSISDBHSA-N 2 2 359.901 3.888 20 0 FHADLP COc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000435394859 943379949 /nfs/dbraw/zinc/37/99/49/943379949.db2.gz PHMPAVXRELBYIX-GOSISDBHSA-N 2 2 359.901 3.888 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000423101074 943394629 /nfs/dbraw/zinc/39/46/29/943394629.db2.gz HWJPGLRCBJDKAP-ZSGPHXLJSA-N 2 2 356.432 3.698 20 0 FHADLP COc1ccc([C@H]([NH2+]CC2(c3ccccn3)CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423116149 943395990 /nfs/dbraw/zinc/39/59/90/943395990.db2.gz ZRGCLBVUJIOVQJ-FPOVZHCZSA-N 2 2 351.494 3.595 20 0 FHADLP Clc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000423106255 943402183 /nfs/dbraw/zinc/40/21/83/943402183.db2.gz RFIWZVJOHOLSDY-DTTOXWODSA-N 2 2 355.309 3.596 20 0 FHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000423147339 943407191 /nfs/dbraw/zinc/40/71/91/943407191.db2.gz RTQZBYRMSJOHRU-HNAYVOBHSA-N 2 2 354.885 3.574 20 0 FHADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239613 943445142 /nfs/dbraw/zinc/44/51/42/943445142.db2.gz BLSUCQWSYXQXFT-SJCJKPOMSA-N 2 2 351.263 3.809 20 0 FHADLP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC[NH2+]C2CCCCCC2)cc1 ZINC000423273244 943468484 /nfs/dbraw/zinc/46/84/84/943468484.db2.gz IVOQWIUJWUNHQS-OAQYLSRUSA-N 2 2 355.530 3.620 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CCC3)cc1 ZINC000423354275 943488258 /nfs/dbraw/zinc/48/82/58/943488258.db2.gz COUGUQNQYILIII-QBIMZIAESA-N 2 2 357.523 3.784 20 0 FHADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000660193080 943522767 /nfs/dbraw/zinc/52/27/67/943522767.db2.gz YHHKBMKGKANORN-HNNXBMFYSA-N 2 2 372.488 3.684 20 0 FHADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Cl ZINC000423493429 943536448 /nfs/dbraw/zinc/53/64/48/943536448.db2.gz QAMROJCFRRBDOA-SWLSCSKDSA-N 2 2 361.711 3.522 20 0 FHADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423515888 943542838 /nfs/dbraw/zinc/54/28/38/943542838.db2.gz XNVUTKYUQYPPOI-VGSWGCGISA-N 3 2 355.526 3.540 20 0 FHADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423518046 943544107 /nfs/dbraw/zinc/54/41/07/943544107.db2.gz ZCSNVHZIENLEFL-RDTXWAMCSA-N 2 2 358.482 3.625 20 0 FHADLP [NH3+][C@@H](CCC(=O)NCc1ccccc1-n1cc[nH+]c1)CC1CCCCC1 ZINC000424197721 943783819 /nfs/dbraw/zinc/78/38/19/943783819.db2.gz WVQOOHSSBLCKLN-IBGZPJMESA-N 2 2 354.498 3.566 20 0 FHADLP Cc1cccc(Oc2ccc(NC(=O)C[NH2+][C@@H]3CCCC[C@H]3[NH3+])cc2)c1 ZINC000424300573 943826787 /nfs/dbraw/zinc/82/67/87/943826787.db2.gz WUFKWMVPSCIFMV-WOJBJXKFSA-N 2 2 353.466 3.585 20 0 FHADLP C[C@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[NH2+]C1 ZINC000515380782 943844072 /nfs/dbraw/zinc/84/40/72/943844072.db2.gz HDOSPUIEZDDWCJ-SJORKVTESA-N 2 2 364.493 3.566 20 0 FHADLP C[C@@H](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[NH2+]C1 ZINC000515380781 943844135 /nfs/dbraw/zinc/84/41/35/943844135.db2.gz HDOSPUIEZDDWCJ-IRXDYDNUSA-N 2 2 364.493 3.566 20 0 FHADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000424329904 943847251 /nfs/dbraw/zinc/84/72/51/943847251.db2.gz HFSRFAGLENNCGW-ZACQAIPSSA-N 2 2 370.324 3.516 20 0 FHADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977869 943876798 /nfs/dbraw/zinc/87/67/98/943876798.db2.gz AINMNTDGELBPOQ-SJLPKXTDSA-N 2 2 361.555 3.732 20 0 FHADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977869 943876803 /nfs/dbraw/zinc/87/68/03/943876803.db2.gz AINMNTDGELBPOQ-SJLPKXTDSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977869 943876814 /nfs/dbraw/zinc/87/68/14/943876814.db2.gz AINMNTDGELBPOQ-SJLPKXTDSA-N 2 2 361.555 3.732 20 0 FHADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000516977869 943876822 /nfs/dbraw/zinc/87/68/22/943876822.db2.gz AINMNTDGELBPOQ-SJLPKXTDSA-N 2 2 361.555 3.732 20 0 FHADLP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000504905581 943903119 /nfs/dbraw/zinc/90/31/19/943903119.db2.gz KOJBFAAOEOCQIL-SFHVURJKSA-N 2 2 371.500 3.697 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660304498 943935579 /nfs/dbraw/zinc/93/55/79/943935579.db2.gz FGUIHQMGYBMSGS-NVXWUHKLSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OC)c2Cl)[C@H](C)C1 ZINC000660304498 943935583 /nfs/dbraw/zinc/93/55/83/943935583.db2.gz FGUIHQMGYBMSGS-NVXWUHKLSA-N 2 2 354.922 3.575 20 0 FHADLP COC(=O)[C@@H](CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1)c1ccccc1 ZINC000425438617 943935918 /nfs/dbraw/zinc/93/59/18/943935918.db2.gz AVQHNEUXLUHMNG-NRFANRHFSA-N 2 2 369.509 3.722 20 0 FHADLP [NH3+]C1CC2(C1)CC[NH+](Cc1cc(Br)cc(Cl)c1F)CC2 ZINC001222211442 944062207 /nfs/dbraw/zinc/06/22/07/944062207.db2.gz JTHDWPCJQFKTOE-UHFFFAOYSA-N 2 2 361.686 3.945 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000424775708 944112816 /nfs/dbraw/zinc/11/28/16/944112816.db2.gz RVGQIDBJGSJAPL-PMXSJFBMSA-N 2 2 363.590 3.608 20 0 FHADLP C[C@@H]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000424775708 944112830 /nfs/dbraw/zinc/11/28/30/944112830.db2.gz RVGQIDBJGSJAPL-PMXSJFBMSA-N 2 2 363.590 3.608 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]CC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000418074964 944125647 /nfs/dbraw/zinc/12/56/47/944125647.db2.gz OKXVOAVQEJXPSC-UHFFFAOYSA-N 2 2 365.521 3.533 20 0 FHADLP CN(C)C(=O)c1ccccc1C[NH2+]CC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000418074964 944125653 /nfs/dbraw/zinc/12/56/53/944125653.db2.gz OKXVOAVQEJXPSC-UHFFFAOYSA-N 2 2 365.521 3.533 20 0 FHADLP CC(C)Oc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425926598 944198096 /nfs/dbraw/zinc/19/80/96/944198096.db2.gz PMKQJIBXZSDTPS-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000425926598 944198098 /nfs/dbraw/zinc/19/80/98/944198098.db2.gz PMKQJIBXZSDTPS-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000425926598 944198102 /nfs/dbraw/zinc/19/81/02/944198102.db2.gz PMKQJIBXZSDTPS-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP CC(C)Oc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425926598 944198104 /nfs/dbraw/zinc/19/81/04/944198104.db2.gz PMKQJIBXZSDTPS-HSZRJFAPSA-N 2 2 368.521 3.543 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000364287685 944242468 /nfs/dbraw/zinc/24/24/68/944242468.db2.gz BPAKXMJDKGJTDA-MJBXVCDLSA-N 2 2 353.304 3.735 20 0 FHADLP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000364287685 944242480 /nfs/dbraw/zinc/24/24/80/944242480.db2.gz BPAKXMJDKGJTDA-MJBXVCDLSA-N 2 2 353.304 3.735 20 0 FHADLP C[N@@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437965724 944243259 /nfs/dbraw/zinc/24/32/59/944243259.db2.gz UJIYNUFKVIRPCC-KKSFZXQISA-N 2 2 352.457 3.827 20 0 FHADLP C[N@H+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000437965724 944243262 /nfs/dbraw/zinc/24/32/62/944243262.db2.gz UJIYNUFKVIRPCC-KKSFZXQISA-N 2 2 352.457 3.827 20 0 FHADLP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000437965724 944243265 /nfs/dbraw/zinc/24/32/65/944243265.db2.gz UJIYNUFKVIRPCC-KKSFZXQISA-N 2 2 352.457 3.827 20 0 FHADLP C[NH+](Cc1cc2c(cccc2F)[nH]1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000437965724 944243267 /nfs/dbraw/zinc/24/32/67/944243267.db2.gz UJIYNUFKVIRPCC-KKSFZXQISA-N 2 2 352.457 3.827 20 0 FHADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cccc(-c3cccnc3)c2)cc1 ZINC000414884391 944287536 /nfs/dbraw/zinc/28/75/36/944287536.db2.gz NYTIASREKGNLPN-DNQXCXABSA-N 2 2 373.500 3.993 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553460 944322987 /nfs/dbraw/zinc/32/29/87/944322987.db2.gz MFRLSXMKBWMQGT-OAQYLSRUSA-N 2 2 351.494 3.962 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553460 944322993 /nfs/dbraw/zinc/32/29/93/944322993.db2.gz MFRLSXMKBWMQGT-OAQYLSRUSA-N 2 2 351.494 3.962 20 0 FHADLP Cc1nnc(C[N@@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000664835781 944344094 /nfs/dbraw/zinc/34/40/94/944344094.db2.gz HFMUDLQYRKSDHI-HXUWFJFHSA-N 2 2 370.566 3.969 20 0 FHADLP Cc1nnc(C[N@H+]2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000664835781 944344101 /nfs/dbraw/zinc/34/41/01/944344101.db2.gz HFMUDLQYRKSDHI-HXUWFJFHSA-N 2 2 370.566 3.969 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000390526211 944377814 /nfs/dbraw/zinc/37/78/14/944377814.db2.gz CNMWFZJOCKXWNJ-OAQYLSRUSA-N 2 2 366.505 3.848 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000390526211 944377819 /nfs/dbraw/zinc/37/78/19/944377819.db2.gz CNMWFZJOCKXWNJ-OAQYLSRUSA-N 2 2 366.505 3.848 20 0 FHADLP Brc1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C2CC2)s1 ZINC000439146902 944379164 /nfs/dbraw/zinc/37/91/64/944379164.db2.gz OJCFRZWGSIYNPS-NHYWBVRUSA-N 2 2 352.301 3.763 20 0 FHADLP C[C@H](Cc1ccccc1F)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000438180594 944390431 /nfs/dbraw/zinc/39/04/31/944390431.db2.gz PZDAVHQSJMKPMI-MRXNPFEDSA-N 2 2 356.489 3.794 20 0 FHADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000426312822 944441097 /nfs/dbraw/zinc/44/10/97/944441097.db2.gz KQKWKWUTZKGPRD-FUHWJXTLSA-N 2 2 350.441 3.941 20 0 FHADLP CC1([NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000414929902 944598574 /nfs/dbraw/zinc/59/85/74/944598574.db2.gz ABZIVRZWGIISHF-UHFFFAOYSA-N 2 2 366.328 3.804 20 0 FHADLP COC(=O)C1CCC([NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000426012637 944614226 /nfs/dbraw/zinc/61/42/26/944614226.db2.gz HBHKIQRLSJPTKD-DQVLVPHSSA-N 2 2 372.553 3.781 20 0 FHADLP COC(=O)C1CCC([NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000426012637 944614230 /nfs/dbraw/zinc/61/42/30/944614230.db2.gz HBHKIQRLSJPTKD-DQVLVPHSSA-N 2 2 372.553 3.781 20 0 FHADLP COC(=O)C1CCC([NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000426012638 944614768 /nfs/dbraw/zinc/61/47/68/944614768.db2.gz HBHKIQRLSJPTKD-MNLRITNHSA-N 2 2 372.553 3.781 20 0 FHADLP COC(=O)C1CCC([NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000426012638 944614776 /nfs/dbraw/zinc/61/47/76/944614776.db2.gz HBHKIQRLSJPTKD-MNLRITNHSA-N 2 2 372.553 3.781 20 0 FHADLP Fc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000390675064 944677908 /nfs/dbraw/zinc/67/79/08/944677908.db2.gz TYBMASLFICSEQH-FQEVSTJZSA-N 2 2 362.876 3.860 20 0 FHADLP Fc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000390675064 944677914 /nfs/dbraw/zinc/67/79/14/944677914.db2.gz TYBMASLFICSEQH-FQEVSTJZSA-N 2 2 362.876 3.860 20 0 FHADLP CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)[N@@H+]1CCc2ccccc2C1 ZINC000518768066 944719664 /nfs/dbraw/zinc/71/96/64/944719664.db2.gz CCHKRXNENNKFID-NRFANRHFSA-N 2 2 366.505 3.630 20 0 FHADLP CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)[N@H+]1CCc2ccccc2C1 ZINC000518768066 944719669 /nfs/dbraw/zinc/71/96/69/944719669.db2.gz CCHKRXNENNKFID-NRFANRHFSA-N 2 2 366.505 3.630 20 0 FHADLP Cc1noc2ncc(C[NH2+][C@@H](Cn3cc[nH+]c3)c3ccc(C)cc3C)cc12 ZINC000894357254 944725232 /nfs/dbraw/zinc/72/52/32/944725232.db2.gz SCDIIXVDCFXHAD-FQEVSTJZSA-N 2 2 361.449 3.876 20 0 FHADLP CC[N@H+](CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058589 944765139 /nfs/dbraw/zinc/76/51/39/944765139.db2.gz MFEILWMIQVWJDV-SJLPKXTDSA-N 2 2 363.512 3.893 20 0 FHADLP CC[N@@H+](CCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)CCC(F)(F)F ZINC000426058589 944765148 /nfs/dbraw/zinc/76/51/48/944765148.db2.gz MFEILWMIQVWJDV-SJLPKXTDSA-N 2 2 363.512 3.893 20 0 FHADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncc(C(C)(C)C)o3)CC2)C[C@H](C)O1 ZINC000426817286 944838248 /nfs/dbraw/zinc/83/82/48/944838248.db2.gz BKCPYOXWWQHRGS-IRXDYDNUSA-N 2 2 363.546 3.683 20 0 FHADLP CC[N@H+](CC(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000516501059 944951360 /nfs/dbraw/zinc/95/13/60/944951360.db2.gz ABDHKOACRPKLEM-UHFFFAOYSA-N 2 2 373.928 3.540 20 0 FHADLP CC[N@@H+](CC(=O)NCc1ccc(C[NH+](C)C)cc1)Cc1ccccc1Cl ZINC000516501059 944951371 /nfs/dbraw/zinc/95/13/71/944951371.db2.gz ABDHKOACRPKLEM-UHFFFAOYSA-N 2 2 373.928 3.540 20 0 FHADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135393 944962817 /nfs/dbraw/zinc/96/28/17/944962817.db2.gz LWQZMCZWAIZNRZ-GOSISDBHSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135393 944962820 /nfs/dbraw/zinc/96/28/20/944962820.db2.gz LWQZMCZWAIZNRZ-GOSISDBHSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135393 944962831 /nfs/dbraw/zinc/96/28/31/944962831.db2.gz LWQZMCZWAIZNRZ-GOSISDBHSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c(N)n1 ZINC001279135393 944962838 /nfs/dbraw/zinc/96/28/38/944962838.db2.gz LWQZMCZWAIZNRZ-GOSISDBHSA-N 2 2 370.463 3.603 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506369531 945045566 /nfs/dbraw/zinc/04/55/66/945045566.db2.gz MWQDFQNINGCLER-UHFFFAOYSA-N 2 2 358.505 3.933 20 0 FHADLP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000506369531 945045577 /nfs/dbraw/zinc/04/55/77/945045577.db2.gz MWQDFQNINGCLER-UHFFFAOYSA-N 2 2 358.505 3.933 20 0 FHADLP COCC[NH2+]C1CC[NH+](CCOc2ccc(Oc3ccccc3)cc2)CC1 ZINC000519644204 945614783 /nfs/dbraw/zinc/61/47/83/945614783.db2.gz PZTZHHTWDPCNQU-UHFFFAOYSA-N 2 2 370.493 3.558 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000519678455 945628859 /nfs/dbraw/zinc/62/88/59/945628859.db2.gz YXVQGKSBZOAZTB-KRWDZBQOSA-N 2 2 353.388 3.724 20 0 FHADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000519678455 945628863 /nfs/dbraw/zinc/62/88/63/945628863.db2.gz YXVQGKSBZOAZTB-KRWDZBQOSA-N 2 2 353.388 3.724 20 0 FHADLP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(OCc2cccnc2)c1 ZINC000443980569 945676719 /nfs/dbraw/zinc/67/67/19/945676719.db2.gz NEIHFSHAHFOSJE-UHFFFAOYSA-N 2 2 369.509 3.635 20 0 FHADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000651691764 945701790 /nfs/dbraw/zinc/70/17/90/945701790.db2.gz GWHUNPOPNSTETN-SFHVURJKSA-N 2 2 372.484 3.845 20 0 FHADLP COc1cc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000651691764 945701797 /nfs/dbraw/zinc/70/17/97/945701797.db2.gz GWHUNPOPNSTETN-SFHVURJKSA-N 2 2 372.484 3.845 20 0 FHADLP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000550097449 945833730 /nfs/dbraw/zinc/83/37/30/945833730.db2.gz PWCAXUZMVSPSOC-WIYYLYMNSA-N 2 2 369.509 3.923 20 0 FHADLP c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000301532233 945833827 /nfs/dbraw/zinc/83/38/27/945833827.db2.gz KKSDDPMKPPHYIW-IBGZPJMESA-N 2 2 357.546 3.559 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC([NH+]2CCCC2)CC1 ZINC000301559970 945847731 /nfs/dbraw/zinc/84/77/31/945847731.db2.gz XRARNWCRFPQWED-UHFFFAOYSA-N 2 2 367.493 3.785 20 0 FHADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@H]21 ZINC000301735045 945939192 /nfs/dbraw/zinc/93/91/92/945939192.db2.gz ZNMKVEKBOGKRCS-CZUORRHYSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@H]21 ZINC000301735045 945939200 /nfs/dbraw/zinc/93/92/00/945939200.db2.gz ZNMKVEKBOGKRCS-CZUORRHYSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@@H]21 ZINC000301735043 945939789 /nfs/dbraw/zinc/93/97/89/945939789.db2.gz ZNMKVEKBOGKRCS-CJNGLKHVSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[C@@H]21 ZINC000301735043 945939793 /nfs/dbraw/zinc/93/97/93/945939793.db2.gz ZNMKVEKBOGKRCS-CJNGLKHVSA-N 2 2 360.299 3.918 20 0 FHADLP Brc1c[nH+]ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281942278 945968002 /nfs/dbraw/zinc/96/80/02/945968002.db2.gz PLMFDLBWJSPBGG-ZDUSSCGKSA-N 2 2 361.287 3.761 20 0 FHADLP O=C([C@@H](c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214405 946081113 /nfs/dbraw/zinc/08/11/13/946081113.db2.gz PJIUJOZRRSDGJU-IFMALSPDSA-N 2 2 369.553 3.548 20 0 FHADLP O=C([C@@H](c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000444214405 946081121 /nfs/dbraw/zinc/08/11/21/946081121.db2.gz PJIUJOZRRSDGJU-IFMALSPDSA-N 2 2 369.553 3.548 20 0 FHADLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1F ZINC000651892495 946182243 /nfs/dbraw/zinc/18/22/43/946182243.db2.gz YSQPNQNXIABMAI-VGOFRKELSA-N 2 2 356.485 3.544 20 0 FHADLP CC(C)Oc1ccccc1C[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000520207807 946268208 /nfs/dbraw/zinc/26/82/08/946268208.db2.gz LEFCWMAGSBIMPW-UHFFFAOYSA-N 2 2 367.537 3.776 20 0 FHADLP COc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000302652915 946271007 /nfs/dbraw/zinc/27/10/07/946271007.db2.gz NNEGNOVSNPQPJF-UHFFFAOYSA-N 2 2 369.509 3.633 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251477 946345737 /nfs/dbraw/zinc/34/57/37/946345737.db2.gz SYOSIHUGCSVBGU-HFTRVMKXSA-N 2 2 373.324 3.556 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(Cl)cc1Cl ZINC000441251477 946345748 /nfs/dbraw/zinc/34/57/48/946345748.db2.gz SYOSIHUGCSVBGU-HFTRVMKXSA-N 2 2 373.324 3.556 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056900 946531598 /nfs/dbraw/zinc/53/15/98/946531598.db2.gz JRFPRGJJOAETEZ-NTLWEQJWSA-N 2 2 360.542 3.948 20 0 FHADLP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056900 946531605 /nfs/dbraw/zinc/53/16/05/946531605.db2.gz JRFPRGJJOAETEZ-NTLWEQJWSA-N 2 2 360.542 3.948 20 0 FHADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000034991703 946571090 /nfs/dbraw/zinc/57/10/90/946571090.db2.gz HCMVCGNDHBIHFB-UHFFFAOYSA-N 2 2 365.262 3.728 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000473923552 946710003 /nfs/dbraw/zinc/71/00/03/946710003.db2.gz PBNWZDPUAWVYEF-AWEZNQCLSA-N 2 2 368.506 3.795 20 0 FHADLP Clc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167994971 946892036 /nfs/dbraw/zinc/89/20/36/946892036.db2.gz SABDOPKBNBPMIG-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167994971 946892040 /nfs/dbraw/zinc/89/20/40/946892040.db2.gz SABDOPKBNBPMIG-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167994971 946892048 /nfs/dbraw/zinc/89/20/48/946892048.db2.gz SABDOPKBNBPMIG-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP Clc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)cc1 ZINC001167994971 946892054 /nfs/dbraw/zinc/89/20/54/946892054.db2.gz SABDOPKBNBPMIG-CBQGHPETSA-N 2 2 373.972 3.863 20 0 FHADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1csc(Cc3ccc(Cl)cc3)n1)C2 ZINC000652352376 946902566 /nfs/dbraw/zinc/90/25/66/946902566.db2.gz MTVNUXMFCWMNAW-KXBFYZLASA-N 2 2 361.942 3.948 20 0 FHADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1csc(Cc3ccc(Cl)cc3)n1)C2 ZINC000652352376 946902576 /nfs/dbraw/zinc/90/25/76/946902576.db2.gz MTVNUXMFCWMNAW-KXBFYZLASA-N 2 2 361.942 3.948 20 0 FHADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432257200 946993292 /nfs/dbraw/zinc/99/32/92/946993292.db2.gz GBAZBPIPUFYTFL-OAHLLOKOSA-N 2 2 371.333 3.911 20 0 FHADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000432257200 946993299 /nfs/dbraw/zinc/99/32/99/946993299.db2.gz GBAZBPIPUFYTFL-OAHLLOKOSA-N 2 2 371.333 3.911 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)s1 ZINC000511937975 947055520 /nfs/dbraw/zinc/05/55/20/947055520.db2.gz BBXXQNVSATZBKF-DOTOQJQBSA-N 2 2 369.893 3.617 20 0 FHADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444653936 947073193 /nfs/dbraw/zinc/07/31/93/947073193.db2.gz VVAOJZUSAODPKR-IBGZPJMESA-N 2 2 367.541 3.744 20 0 FHADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444653936 947073202 /nfs/dbraw/zinc/07/32/02/947073202.db2.gz VVAOJZUSAODPKR-IBGZPJMESA-N 2 2 367.541 3.744 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247257772 947265019 /nfs/dbraw/zinc/26/50/19/947265019.db2.gz XMMIEZPNYSJYFL-IFXJQAMLSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247257772 947265028 /nfs/dbraw/zinc/26/50/28/947265028.db2.gz XMMIEZPNYSJYFL-IFXJQAMLSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247257772 947265046 /nfs/dbraw/zinc/26/50/46/947265046.db2.gz XMMIEZPNYSJYFL-IFXJQAMLSA-N 2 2 372.463 3.804 20 0 FHADLP Fc1cccc(F)c1-c1n[nH]cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247257772 947265062 /nfs/dbraw/zinc/26/50/62/947265062.db2.gz XMMIEZPNYSJYFL-IFXJQAMLSA-N 2 2 372.463 3.804 20 0 FHADLP C[C@@H](Nc1cc[nH+]c2cc(Br)ccc12)[C@@H](C)[NH+]1CCOCC1 ZINC000301323566 947285700 /nfs/dbraw/zinc/28/57/00/947285700.db2.gz WDTROOHKIRBNGJ-CHWSQXEVSA-N 2 2 364.287 3.518 20 0 FHADLP CCc1cc(NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nc(C)[nH+]1 ZINC000301333525 947290904 /nfs/dbraw/zinc/29/09/04/947290904.db2.gz FJTPPNIXYLNUNE-HOTGVXAUSA-N 2 2 354.498 3.569 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301380666 947317312 /nfs/dbraw/zinc/31/73/12/947317312.db2.gz UEYVWLSPWMBLCR-UHFFFAOYSA-N 2 2 367.493 3.724 20 0 FHADLP CSCc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000188714455 947518964 /nfs/dbraw/zinc/51/89/64/947518964.db2.gz SDDYIQNADXGFQX-UWJYYQICSA-N 2 2 355.551 3.945 20 0 FHADLP CSCc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000188714455 947518977 /nfs/dbraw/zinc/51/89/77/947518977.db2.gz SDDYIQNADXGFQX-UWJYYQICSA-N 2 2 355.551 3.945 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000520459760 947549626 /nfs/dbraw/zinc/54/96/26/947549626.db2.gz HRMMHIQVMQNBGJ-UHFFFAOYSA-N 2 2 372.476 3.653 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000520459760 947549640 /nfs/dbraw/zinc/54/96/40/947549640.db2.gz HRMMHIQVMQNBGJ-UHFFFAOYSA-N 2 2 372.476 3.653 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189438583 947717067 /nfs/dbraw/zinc/71/70/67/947717067.db2.gz DRMXWBUQNLCOOF-IAGOWNOFSA-N 2 2 356.489 3.754 20 0 FHADLP C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189438583 947717078 /nfs/dbraw/zinc/71/70/78/947717078.db2.gz DRMXWBUQNLCOOF-IAGOWNOFSA-N 2 2 356.489 3.754 20 0 FHADLP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806790 /nfs/dbraw/zinc/80/67/90/947806790.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806800 /nfs/dbraw/zinc/80/68/00/947806800.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806808 /nfs/dbraw/zinc/80/68/08/947806808.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344051 947806816 /nfs/dbraw/zinc/80/68/16/947806816.db2.gz MZDBCLPOUPWPIM-XZOQPEGZSA-N 3 2 367.581 3.895 20 0 FHADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000663345028 947810737 /nfs/dbraw/zinc/81/07/37/947810737.db2.gz FVAWUOZJTZUVQC-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP Fc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000663345028 947810746 /nfs/dbraw/zinc/81/07/46/947810746.db2.gz FVAWUOZJTZUVQC-AWEZNQCLSA-N 2 2 355.295 3.800 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1OC ZINC000663346924 947814210 /nfs/dbraw/zinc/81/42/10/947814210.db2.gz XSMPBYVIYKNKFC-HNNXBMFYSA-N 2 2 352.906 3.569 20 0 FHADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1OC ZINC000663346924 947814215 /nfs/dbraw/zinc/81/42/15/947814215.db2.gz XSMPBYVIYKNKFC-HNNXBMFYSA-N 2 2 352.906 3.569 20 0 FHADLP Cc1cc(C(F)(F)F)cc(NC2CC[NH+](Cc3ccccn3)CC2)[nH+]1 ZINC000663394880 947950481 /nfs/dbraw/zinc/95/04/81/947950481.db2.gz XUFKAHUOBGPMJB-UHFFFAOYSA-N 2 2 350.388 3.880 20 0 FHADLP CO[C@H](C)c1nc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cs1 ZINC000278916554 948102856 /nfs/dbraw/zinc/10/28/56/948102856.db2.gz RBLXBGMKJFUMFA-CQSZACIVSA-N 2 2 360.527 3.763 20 0 FHADLP COCC[NH+]1CCC([NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190593094 948116872 /nfs/dbraw/zinc/11/68/72/948116872.db2.gz JRAGQPNODXVKKL-MRXNPFEDSA-N 2 2 373.360 3.662 20 0 FHADLP CCC(C)(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441534072 948229970 /nfs/dbraw/zinc/22/99/70/948229970.db2.gz OSRFNAJNXXYRGI-FQEVSTJZSA-N 2 2 358.574 3.742 20 0 FHADLP CCC(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000441534072 948229977 /nfs/dbraw/zinc/22/99/77/948229977.db2.gz OSRFNAJNXXYRGI-FQEVSTJZSA-N 2 2 358.574 3.742 20 0 FHADLP CC(C)[C@@H](C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000520541287 948248860 /nfs/dbraw/zinc/24/88/60/948248860.db2.gz BOKNNLVBIJNNDJ-NQIIRXRSSA-N 2 2 373.541 3.529 20 0 FHADLP CC(C)[C@H](C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)[NH+]1CCCCC1 ZINC000520541286 948249161 /nfs/dbraw/zinc/24/91/61/948249161.db2.gz BOKNNLVBIJNNDJ-GHTZIAJQSA-N 2 2 373.541 3.529 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776697 948251755 /nfs/dbraw/zinc/25/17/55/948251755.db2.gz OIBUYHBRWSFSPZ-NSISKUIASA-N 2 2 356.466 3.755 20 0 FHADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(Oc2ccccc2)o1 ZINC000507776697 948251762 /nfs/dbraw/zinc/25/17/62/948251762.db2.gz OIBUYHBRWSFSPZ-NSISKUIASA-N 2 2 356.466 3.755 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)s1 ZINC000512039300 948268451 /nfs/dbraw/zinc/26/84/51/948268451.db2.gz WTEUEGVJMTWFSJ-UHFFFAOYSA-N 2 2 365.930 3.654 20 0 FHADLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432421706 948381149 /nfs/dbraw/zinc/38/11/49/948381149.db2.gz AWRACTOYJYSVMY-QAPCUYQASA-N 2 2 369.347 3.991 20 0 FHADLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432421706 948381157 /nfs/dbraw/zinc/38/11/57/948381157.db2.gz AWRACTOYJYSVMY-QAPCUYQASA-N 2 2 369.347 3.991 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432421117 948382127 /nfs/dbraw/zinc/38/21/27/948382127.db2.gz NUSRCKUKTPWPNJ-CABCVRRESA-N 2 2 353.576 3.901 20 0 FHADLP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432421117 948382133 /nfs/dbraw/zinc/38/21/33/948382133.db2.gz NUSRCKUKTPWPNJ-CABCVRRESA-N 2 2 353.576 3.901 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432422038 948385043 /nfs/dbraw/zinc/38/50/43/948385043.db2.gz CFFJUFMFKVSOSC-CABCVRRESA-N 2 2 355.320 3.601 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1Br ZINC000432422038 948385047 /nfs/dbraw/zinc/38/50/47/948385047.db2.gz CFFJUFMFKVSOSC-CABCVRRESA-N 2 2 355.320 3.601 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)s1 ZINC000512097073 948408133 /nfs/dbraw/zinc/40/81/33/948408133.db2.gz BSXRBQNSJUBCEK-MRXNPFEDSA-N 2 2 367.465 3.973 20 0 FHADLP Cc1ccc(-c2nc(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)co2)cc1 ZINC000512105678 948431073 /nfs/dbraw/zinc/43/10/73/948431073.db2.gz MUWRFOJEQIHJDC-UHFFFAOYSA-N 2 2 356.495 3.500 20 0 FHADLP Fc1ccc(/C=C/C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC000512122836 948477964 /nfs/dbraw/zinc/47/79/64/948477964.db2.gz MUNWQDYGELLSDC-GORDUTHDSA-N 2 2 358.432 3.600 20 0 FHADLP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069874 948494091 /nfs/dbraw/zinc/49/40/91/948494091.db2.gz BYVPSUYOBIYOFY-HZPDHXFCSA-N 2 2 370.324 3.929 20 0 FHADLP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000325069874 948494095 /nfs/dbraw/zinc/49/40/95/948494095.db2.gz BYVPSUYOBIYOFY-HZPDHXFCSA-N 2 2 370.324 3.929 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2cnc(-c3ccncc3)s2)c2cccc[nH+]2)CC1 ZINC000895110304 948639389 /nfs/dbraw/zinc/63/93/89/948639389.db2.gz HYSDAPFGCONYRF-QAQDUYKDSA-N 2 2 365.506 3.877 20 0 FHADLP COCCOCc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895113882 948717194 /nfs/dbraw/zinc/71/71/94/948717194.db2.gz YPVGTCRKLXFYAL-MEMLXQNLSA-N 2 2 369.509 3.521 20 0 FHADLP COc1cc2cc[nH+]c(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2cc1OC ZINC000663713790 948779137 /nfs/dbraw/zinc/77/91/37/948779137.db2.gz GAKFKTMDWYAAFJ-YOEHRIQHSA-N 2 2 352.438 3.536 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621459 223118966 /nfs/dbraw/zinc/11/89/66/223118966.db2.gz AMPKFNHBVUVANZ-SYNHAJSKSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328621459 223118969 /nfs/dbraw/zinc/11/89/69/223118969.db2.gz AMPKFNHBVUVANZ-SYNHAJSKSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328621459 223118972 /nfs/dbraw/zinc/11/89/72/223118972.db2.gz AMPKFNHBVUVANZ-SYNHAJSKSA-N 2 2 350.466 3.909 20 0 FHADLP C[C@H](c1nc2ccccc2o1)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328621459 223118974 /nfs/dbraw/zinc/11/89/74/223118974.db2.gz AMPKFNHBVUVANZ-SYNHAJSKSA-N 2 2 350.466 3.909 20 0 FHADLP Cc1noc(C)c1C[N@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000530486709 517805680 /nfs/dbraw/zinc/80/56/80/517805680.db2.gz WUGWBWDSEGVOSM-HOTGVXAUSA-N 2 2 361.465 3.538 20 0 FHADLP Cc1noc(C)c1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000530486709 517805692 /nfs/dbraw/zinc/80/56/92/517805692.db2.gz WUGWBWDSEGVOSM-HOTGVXAUSA-N 2 2 361.465 3.538 20 0 FHADLP Cc1ccc2c(C)cc(NC[C@@H]3C[N@H+](Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705887 522871222 /nfs/dbraw/zinc/87/12/22/522871222.db2.gz IHUJQKSZTQMIAM-LJQANCHMSA-N 2 2 362.477 3.560 20 0 FHADLP Cc1ccc2c(C)cc(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)[nH+]c2c1 ZINC000624705887 522871223 /nfs/dbraw/zinc/87/12/23/522871223.db2.gz IHUJQKSZTQMIAM-LJQANCHMSA-N 2 2 362.477 3.560 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602709476 568018852 /nfs/dbraw/zinc/01/88/52/568018852.db2.gz UDKBNFBPVGZRKB-PZHWCQRWSA-N 2 2 360.567 3.634 20 0 FHADLP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000602709476 568018853 /nfs/dbraw/zinc/01/88/53/568018853.db2.gz UDKBNFBPVGZRKB-PZHWCQRWSA-N 2 2 360.567 3.634 20 0 FHADLP CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603469854 568102986 /nfs/dbraw/zinc/10/29/86/568102986.db2.gz SRWPNGSVSMWDBE-VQTJNVASSA-N 2 2 363.590 3.658 20 0 FHADLP CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603469854 568102987 /nfs/dbraw/zinc/10/29/87/568102987.db2.gz SRWPNGSVSMWDBE-VQTJNVASSA-N 2 2 363.590 3.658 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604069275 568206035 /nfs/dbraw/zinc/20/60/35/568206035.db2.gz NZNBKKZSQPFAQW-QHCPKHFHSA-N 2 2 360.505 3.935 20 0 FHADLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604069275 568206036 /nfs/dbraw/zinc/20/60/36/568206036.db2.gz NZNBKKZSQPFAQW-QHCPKHFHSA-N 2 2 360.505 3.935 20 0 FHADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390837799 568307412 /nfs/dbraw/zinc/30/74/12/568307412.db2.gz AQHHMIBLBYHWBA-GCJKJVERSA-N 2 2 356.485 3.637 20 0 FHADLP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390837799 568307413 /nfs/dbraw/zinc/30/74/13/568307413.db2.gz AQHHMIBLBYHWBA-GCJKJVERSA-N 2 2 356.485 3.637 20 0 FHADLP Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000604755479 568364748 /nfs/dbraw/zinc/36/47/48/568364748.db2.gz HZIQZGUDSXOYNV-UHFFFAOYSA-N 2 2 372.900 3.517 20 0 FHADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000605128854 568575913 /nfs/dbraw/zinc/57/59/13/568575913.db2.gz UEIJFOHBLMYKMJ-QGZVFWFLSA-N 2 2 354.498 3.503 20 0 FHADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000605128854 568575915 /nfs/dbraw/zinc/57/59/15/568575915.db2.gz UEIJFOHBLMYKMJ-QGZVFWFLSA-N 2 2 354.498 3.503 20 0 FHADLP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000365441700 568680304 /nfs/dbraw/zinc/68/03/04/568680304.db2.gz YLOZWWYLTPAECF-HOTGVXAUSA-N 2 2 366.465 3.566 20 0 FHADLP CSc1cc[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955423 722022270 /nfs/dbraw/zinc/02/22/70/722022270.db2.gz GFVXSOWQEYJTFJ-UHFFFAOYSA-N 2 2 354.523 3.691 20 0 FHADLP CSc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164955423 722022274 /nfs/dbraw/zinc/02/22/74/722022274.db2.gz GFVXSOWQEYJTFJ-UHFFFAOYSA-N 2 2 354.523 3.691 20 0 FHADLP Cc1nc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c(C)c(C)[nH+]1 ZINC001164995554 722210722 /nfs/dbraw/zinc/21/07/22/722210722.db2.gz JQIBHGDQRRFPJN-OAQYLSRUSA-N 2 2 354.473 3.786 20 0 FHADLP Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C)c(C)[nH+]1 ZINC001164995554 722210724 /nfs/dbraw/zinc/21/07/24/722210724.db2.gz JQIBHGDQRRFPJN-OAQYLSRUSA-N 2 2 354.473 3.786 20 0 FHADLP C[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000582968991 936332005 /nfs/dbraw/zinc/33/20/05/936332005.db2.gz XEMPKYRCRQEIAZ-STQMWFEESA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@@H]1C[NH3+] ZINC000582968991 936332007 /nfs/dbraw/zinc/33/20/07/936332007.db2.gz XEMPKYRCRQEIAZ-STQMWFEESA-N 2 2 364.287 3.521 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000431519682 936390504 /nfs/dbraw/zinc/39/05/04/936390504.db2.gz OMPPDFHDQZDCKV-DOTOQJQBSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC[C@H]3CCCC[NH+]3C)n2)C1 ZINC000431519682 936390508 /nfs/dbraw/zinc/39/05/08/936390508.db2.gz OMPPDFHDQZDCKV-DOTOQJQBSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)n2)C1 ZINC000431519682 936390513 /nfs/dbraw/zinc/39/05/13/936390513.db2.gz OMPPDFHDQZDCKV-DOTOQJQBSA-N 2 2 364.559 3.578 20 0 FHADLP C[C@H]1CCC[NH+](Cc2csc(NC(=O)CC[C@H]3CCCC[N@H+]3C)n2)C1 ZINC000431519682 936390518 /nfs/dbraw/zinc/39/05/18/936390518.db2.gz OMPPDFHDQZDCKV-DOTOQJQBSA-N 2 2 364.559 3.578 20 0 FHADLP CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000683079508 927098825 /nfs/dbraw/zinc/09/88/25/927098825.db2.gz PUHATXHVPFITMI-IAGOWNOFSA-N 2 2 371.529 3.644 20 0 FHADLP C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000579749326 927285207 /nfs/dbraw/zinc/28/52/07/927285207.db2.gz QMWIEUWBRAEQNL-ZHRRBRCNSA-N 2 2 354.469 3.944 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146809 927317680 /nfs/dbraw/zinc/31/76/80/927317680.db2.gz MKIFSHIQZVSVNR-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146809 927317694 /nfs/dbraw/zinc/31/76/94/927317694.db2.gz MKIFSHIQZVSVNR-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146809 927317709 /nfs/dbraw/zinc/31/77/09/927317709.db2.gz MKIFSHIQZVSVNR-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OCc1ccccc1 ZINC000430146809 927317724 /nfs/dbraw/zinc/31/77/24/927317724.db2.gz MKIFSHIQZVSVNR-QHCPKHFHSA-N 2 2 366.505 3.802 20 0 FHADLP CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000510091995 928114425 /nfs/dbraw/zinc/11/44/25/928114425.db2.gz LGFLXOIQAOURPL-UHFFFAOYSA-N 2 2 355.482 3.674 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000683224726 928338788 /nfs/dbraw/zinc/33/87/88/928338788.db2.gz QAOLZKMNDSTWRC-UHFFFAOYSA-N 2 2 355.461 3.683 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000683224726 928338805 /nfs/dbraw/zinc/33/88/05/928338805.db2.gz QAOLZKMNDSTWRC-UHFFFAOYSA-N 2 2 355.461 3.683 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168928 928466210 /nfs/dbraw/zinc/46/62/10/928466210.db2.gz JSWIXPUZXZMPSA-YLJYHZDGSA-N 2 2 368.525 3.665 20 0 FHADLP CC(C)Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000471168928 928466220 /nfs/dbraw/zinc/46/62/20/928466220.db2.gz JSWIXPUZXZMPSA-YLJYHZDGSA-N 2 2 368.525 3.665 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000162722601 937264574 /nfs/dbraw/zinc/26/45/74/937264574.db2.gz SUJVXUNOFYNMES-GUXCAODWSA-N 2 2 355.482 3.701 20 0 FHADLP COc1cccc(Oc2ncccc2C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000162722601 937264576 /nfs/dbraw/zinc/26/45/76/937264576.db2.gz SUJVXUNOFYNMES-GUXCAODWSA-N 2 2 355.482 3.701 20 0 FHADLP Brc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000036932245 928802036 /nfs/dbraw/zinc/80/20/36/928802036.db2.gz BIVXBVNJHYCWGA-UHFFFAOYSA-N 2 2 352.301 3.664 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861333 928884211 /nfs/dbraw/zinc/88/42/11/928884211.db2.gz CYFLWZCSJCCKJF-HOTGVXAUSA-N 2 2 359.901 3.807 20 0 FHADLP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc(Cl)cn1 ZINC000274861333 928884222 /nfs/dbraw/zinc/88/42/22/928884222.db2.gz CYFLWZCSJCCKJF-HOTGVXAUSA-N 2 2 359.901 3.807 20 0 FHADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180212088 929419877 /nfs/dbraw/zinc/41/98/77/929419877.db2.gz FMAYUBJIQMSOMF-OAQYLSRUSA-N 2 2 358.913 3.866 20 0 FHADLP CCN(CC)C(=O)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000118847078 929780670 /nfs/dbraw/zinc/78/06/70/929780670.db2.gz BIVDTFMYXNKLHP-UHFFFAOYSA-N 2 2 354.498 3.533 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C ZINC001167326751 929858406 /nfs/dbraw/zinc/85/84/06/929858406.db2.gz QARWRXBSJPLFNM-HXUWFJFHSA-N 2 2 358.526 3.870 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1C ZINC001167326751 929858432 /nfs/dbraw/zinc/85/84/32/929858432.db2.gz QARWRXBSJPLFNM-HXUWFJFHSA-N 2 2 358.526 3.870 20 0 FHADLP COc1cc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000126323294 937376987 /nfs/dbraw/zinc/37/69/87/937376987.db2.gz QBYULMZOJXAZCU-HNNXBMFYSA-N 2 2 366.465 3.752 20 0 FHADLP c1c[nH]c([C@@H]2CCCC[N@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000092730035 937385723 /nfs/dbraw/zinc/38/57/23/937385723.db2.gz AAQICKFZJCOULJ-FQEVSTJZSA-N 2 2 354.498 3.612 20 0 FHADLP c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000092730035 937385726 /nfs/dbraw/zinc/38/57/26/937385726.db2.gz AAQICKFZJCOULJ-FQEVSTJZSA-N 2 2 354.498 3.612 20 0 FHADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000124453849 930365802 /nfs/dbraw/zinc/36/58/02/930365802.db2.gz VKSMHQTUHIGZBS-UHFFFAOYSA-N 2 2 364.449 3.636 20 0 FHADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000124453849 930365806 /nfs/dbraw/zinc/36/58/06/930365806.db2.gz VKSMHQTUHIGZBS-UHFFFAOYSA-N 2 2 364.449 3.636 20 0 FHADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2cc3ccccc3o2)n1 ZINC000122572548 930437418 /nfs/dbraw/zinc/43/74/18/930437418.db2.gz UXNYIGIVZZKPBY-UHFFFAOYSA-N 2 2 361.449 3.867 20 0 FHADLP CC[NH+]1CCN([C@H]2CCN(c3c(C)c(C)[nH+]c4c(Cl)cccc43)C2)CC1 ZINC000583413500 937421420 /nfs/dbraw/zinc/42/14/20/937421420.db2.gz GAXGNZKSOOEAQV-KRWDZBQOSA-N 2 2 372.944 3.721 20 0 FHADLP CCN1CC[NH+]([C@H]2CCN(c3c(C)c(C)[nH+]c4c(Cl)cccc43)C2)CC1 ZINC000583413500 937421424 /nfs/dbraw/zinc/42/14/24/937421424.db2.gz GAXGNZKSOOEAQV-KRWDZBQOSA-N 2 2 372.944 3.721 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1cc2ccccc2s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275867593 930557959 /nfs/dbraw/zinc/55/79/59/930557959.db2.gz ZRMWTAYVMYAPBK-LJQANCHMSA-N 2 2 366.534 3.779 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275867593 930557967 /nfs/dbraw/zinc/55/79/67/930557967.db2.gz ZRMWTAYVMYAPBK-LJQANCHMSA-N 2 2 366.534 3.779 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253470 930878151 /nfs/dbraw/zinc/87/81/51/930878151.db2.gz NJUKCLRPZFYKBL-KRWDZBQOSA-N 2 2 358.917 3.752 20 0 FHADLP Cc1nn(-c2ccccc2Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000656253470 930878156 /nfs/dbraw/zinc/87/81/56/930878156.db2.gz NJUKCLRPZFYKBL-KRWDZBQOSA-N 2 2 358.917 3.752 20 0 FHADLP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424381 930940840 /nfs/dbraw/zinc/94/08/40/930940840.db2.gz HXQSFXJHVVKGQF-NVXWUHKLSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424381 930940847 /nfs/dbraw/zinc/94/08/47/930940847.db2.gz HXQSFXJHVVKGQF-NVXWUHKLSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424381 930940855 /nfs/dbraw/zinc/94/08/55/930940855.db2.gz HXQSFXJHVVKGQF-NVXWUHKLSA-N 2 2 364.555 3.930 20 0 FHADLP COC(=O)c1cc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C)s1 ZINC001167424381 930940861 /nfs/dbraw/zinc/94/08/61/930940861.db2.gz HXQSFXJHVVKGQF-NVXWUHKLSA-N 2 2 364.555 3.930 20 0 FHADLP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281127 931057337 /nfs/dbraw/zinc/05/73/37/931057337.db2.gz MZOXYSDOHUGSTO-SFHVURJKSA-N 2 2 356.432 3.701 20 0 FHADLP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000656281127 931057343 /nfs/dbraw/zinc/05/73/43/931057343.db2.gz MZOXYSDOHUGSTO-SFHVURJKSA-N 2 2 356.432 3.701 20 0 FHADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 ZINC000127300906 931308841 /nfs/dbraw/zinc/30/88/41/931308841.db2.gz OATDMCKSPYKXBN-INIZCTEOSA-N 2 2 370.468 3.912 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581131126 931598631 /nfs/dbraw/zinc/59/86/31/931598631.db2.gz JOJLDVDDXLZRFO-HXUWFJFHSA-N 2 2 366.505 3.991 20 0 FHADLP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581131126 931598637 /nfs/dbraw/zinc/59/86/37/931598637.db2.gz JOJLDVDDXLZRFO-HXUWFJFHSA-N 2 2 366.505 3.991 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000581200764 931659383 /nfs/dbraw/zinc/65/93/83/931659383.db2.gz IGAMKIPOZQBBQB-GOSISDBHSA-N 2 2 366.509 3.575 20 0 FHADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N(c2ccccc2)C2CCCCC2)C1 ZINC000581200764 931659389 /nfs/dbraw/zinc/65/93/89/931659389.db2.gz IGAMKIPOZQBBQB-GOSISDBHSA-N 2 2 366.509 3.575 20 0 FHADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000430550166 931799481 /nfs/dbraw/zinc/79/94/81/931799481.db2.gz JSFWDVVZRRMHFA-SFTDATJTSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553038 931812098 /nfs/dbraw/zinc/81/20/98/931812098.db2.gz SSDRYQYMUQQXPK-OUCADQQQSA-N 2 2 368.403 3.876 20 0 FHADLP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553038 931812106 /nfs/dbraw/zinc/81/21/06/931812106.db2.gz SSDRYQYMUQQXPK-OUCADQQQSA-N 2 2 368.403 3.876 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561978 931851785 /nfs/dbraw/zinc/85/17/85/931851785.db2.gz BSURHSRXNJLGNO-NSHDSACASA-N 2 2 356.392 3.733 20 0 FHADLP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561978 931851788 /nfs/dbraw/zinc/85/17/88/931851788.db2.gz BSURHSRXNJLGNO-NSHDSACASA-N 2 2 356.392 3.733 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430565631 931887166 /nfs/dbraw/zinc/88/71/66/931887166.db2.gz QFRWJMNUPGLFFA-MRXNPFEDSA-N 2 2 355.482 3.723 20 0 FHADLP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430565631 931887175 /nfs/dbraw/zinc/88/71/75/931887175.db2.gz QFRWJMNUPGLFFA-MRXNPFEDSA-N 2 2 355.482 3.723 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000430572904 931914854 /nfs/dbraw/zinc/91/48/54/931914854.db2.gz PLHGRXAWODFCOT-CQSZACIVSA-N 2 2 352.693 3.548 20 0 FHADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000430578417 931935992 /nfs/dbraw/zinc/93/59/92/931935992.db2.gz WVLGFFMTRCJVII-LEWJYISDSA-N 2 2 373.928 3.509 20 0 FHADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430578335 931941999 /nfs/dbraw/zinc/94/19/99/931941999.db2.gz WPLTWUZLZDOGSI-FQEVSTJZSA-N 2 2 353.510 3.900 20 0 FHADLP Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000430578335 931942007 /nfs/dbraw/zinc/94/20/07/931942007.db2.gz WPLTWUZLZDOGSI-FQEVSTJZSA-N 2 2 353.510 3.900 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432001 932069436 /nfs/dbraw/zinc/06/94/36/932069436.db2.gz FQJMWSPLOKQFGJ-JQHSSLGASA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000581432001 932069438 /nfs/dbraw/zinc/06/94/38/932069438.db2.gz FQJMWSPLOKQFGJ-JQHSSLGASA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581432001 932069440 /nfs/dbraw/zinc/06/94/40/932069440.db2.gz FQJMWSPLOKQFGJ-JQHSSLGASA-N 2 2 365.587 3.504 20 0 FHADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000581432001 932069442 /nfs/dbraw/zinc/06/94/42/932069442.db2.gz FQJMWSPLOKQFGJ-JQHSSLGASA-N 2 2 365.587 3.504 20 0 FHADLP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)CC(C)(C)[NH3+] ZINC000656785345 932420777 /nfs/dbraw/zinc/42/07/77/932420777.db2.gz NLEUHCLJPJHSIE-UHFFFAOYSA-N 2 2 354.523 3.829 20 0 FHADLP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccs1)CC(C)(C)[NH3+] ZINC000656785345 932420778 /nfs/dbraw/zinc/42/07/78/932420778.db2.gz NLEUHCLJPJHSIE-UHFFFAOYSA-N 2 2 354.523 3.829 20 0 FHADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc3cnccc3c2)cc1F ZINC000656788600 932426002 /nfs/dbraw/zinc/42/60/02/932426002.db2.gz COKKUYRAFGRVKV-RXVVDRJESA-N 2 2 353.416 3.748 20 0 FHADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000581872158 932782125 /nfs/dbraw/zinc/78/21/25/932782125.db2.gz QTHMCKICXPRWIU-FQEVSTJZSA-N 2 2 367.541 3.928 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510471097 932801569 /nfs/dbraw/zinc/80/15/69/932801569.db2.gz KBNDETQEIASANQ-UYAOXDASSA-N 2 2 374.488 3.746 20 0 FHADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000510471097 932801573 /nfs/dbraw/zinc/80/15/73/932801573.db2.gz KBNDETQEIASANQ-UYAOXDASSA-N 2 2 374.488 3.746 20 0 FHADLP CC(C)(C)c1noc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836078 933084604 /nfs/dbraw/zinc/08/46/04/933084604.db2.gz HRUWGVYPQPVFBT-ROUUACIJSA-N 2 2 356.514 3.539 20 0 FHADLP CC(C)(C)c1noc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000471836078 933084606 /nfs/dbraw/zinc/08/46/06/933084606.db2.gz HRUWGVYPQPVFBT-ROUUACIJSA-N 2 2 356.514 3.539 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@@H+]1C ZINC000090721358 933106017 /nfs/dbraw/zinc/10/60/17/933106017.db2.gz DUBZYVCZMMSBTC-GXFFZTMASA-N 2 2 363.246 3.623 20 0 FHADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OC(F)F)CC[N@H+]1C ZINC000090721358 933106018 /nfs/dbraw/zinc/10/60/18/933106018.db2.gz DUBZYVCZMMSBTC-GXFFZTMASA-N 2 2 363.246 3.623 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510535971 933196876 /nfs/dbraw/zinc/19/68/76/933196876.db2.gz CMHBFRNSBARMPD-HXUWFJFHSA-N 2 2 363.509 3.959 20 0 FHADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000510535971 933196879 /nfs/dbraw/zinc/19/68/79/933196879.db2.gz CMHBFRNSBARMPD-HXUWFJFHSA-N 2 2 363.509 3.959 20 0 FHADLP C[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343264 /nfs/dbraw/zinc/34/32/64/933343264.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343276 /nfs/dbraw/zinc/34/32/76/933343276.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343288 /nfs/dbraw/zinc/34/32/88/933343288.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 2 2 374.569 3.803 20 0 FHADLP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430869090 933343300 /nfs/dbraw/zinc/34/33/00/933343300.db2.gz WYPYVIHTQYDEDE-TXTKFYIRSA-N 2 2 374.569 3.803 20 0 FHADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749028 933641402 /nfs/dbraw/zinc/64/14/02/933641402.db2.gz DTXYKOKDGIKVHB-MAUKXSAKSA-N 2 2 358.448 3.727 20 0 FHADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000510749028 933641406 /nfs/dbraw/zinc/64/14/06/933641406.db2.gz DTXYKOKDGIKVHB-MAUKXSAKSA-N 2 2 358.448 3.727 20 0 FHADLP CC(C)[C@H](CC(F)(F)F)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510791530 933742373 /nfs/dbraw/zinc/74/23/73/933742373.db2.gz MYLMMDZQOZXJGL-SFHVURJKSA-N 2 2 357.464 3.765 20 0 FHADLP CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000431071428 933780506 /nfs/dbraw/zinc/78/05/06/933780506.db2.gz PKOQBEVMNOYXEV-LLVKDONJSA-N 2 2 356.392 3.865 20 0 FHADLP CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000431071428 933780511 /nfs/dbraw/zinc/78/05/11/933780511.db2.gz PKOQBEVMNOYXEV-LLVKDONJSA-N 2 2 356.392 3.865 20 0 FHADLP Cc1cc(C)c(CNC(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c[nH+]1 ZINC000891941577 934121221 /nfs/dbraw/zinc/12/12/21/934121221.db2.gz ATZBDZHCPRETPO-YLJYHZDGSA-N 2 2 358.530 3.528 20 0 FHADLP CC(C)OCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936536 934194887 /nfs/dbraw/zinc/19/48/87/934194887.db2.gz VTBXSVFXPIHODA-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP CC(C)OCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510936536 934194891 /nfs/dbraw/zinc/19/48/91/934194891.db2.gz VTBXSVFXPIHODA-UHFFFAOYSA-N 2 2 370.291 3.556 20 0 FHADLP Cn1c[nH+]cc1CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000569588067 934218699 /nfs/dbraw/zinc/21/86/99/934218699.db2.gz GDKAARNFFWULTD-UHFFFAOYSA-N 2 2 374.532 3.760 20 0 FHADLP Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808441 934415464 /nfs/dbraw/zinc/41/54/64/934415464.db2.gz FXMXDWBHMSWZSR-PZJWPPBQSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000535808441 934415477 /nfs/dbraw/zinc/41/54/77/934415477.db2.gz FXMXDWBHMSWZSR-PZJWPPBQSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000535808441 934415481 /nfs/dbraw/zinc/41/54/81/934415481.db2.gz FXMXDWBHMSWZSR-PZJWPPBQSA-N 2 2 351.494 3.582 20 0 FHADLP Cc1ccc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000535808441 934415482 /nfs/dbraw/zinc/41/54/82/934415482.db2.gz FXMXDWBHMSWZSR-PZJWPPBQSA-N 2 2 351.494 3.582 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000090465472 934725415 /nfs/dbraw/zinc/72/54/15/934725415.db2.gz QSJVKUOMIPJVOG-SYYKKAFVSA-N 2 2 369.553 3.563 20 0 FHADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000090465472 934725418 /nfs/dbraw/zinc/72/54/18/934725418.db2.gz QSJVKUOMIPJVOG-SYYKKAFVSA-N 2 2 369.553 3.563 20 0 FHADLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1sc(-c3cccnc3)nc1C)C2 ZINC000151008062 934746264 /nfs/dbraw/zinc/74/62/64/934746264.db2.gz CWECWCHTVIPDQS-CJNGLKHVSA-N 2 2 353.495 3.684 20 0 FHADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000533838526 934844890 /nfs/dbraw/zinc/84/48/90/934844890.db2.gz WZPJDDCCHJTXOD-GHTZIAJQSA-N 2 2 353.510 3.884 20 0 FHADLP COc1cc(C)[nH+]c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000533838526 934844893 /nfs/dbraw/zinc/84/48/93/934844893.db2.gz WZPJDDCCHJTXOD-GHTZIAJQSA-N 2 2 353.510 3.884 20 0 FHADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000516644893 945093147 /nfs/dbraw/zinc/09/31/47/945093147.db2.gz GUBIWPKGIRWLLV-INIZCTEOSA-N 2 2 369.431 3.641 20 0 FHADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657347626 935307355 /nfs/dbraw/zinc/30/73/55/935307355.db2.gz DFEWAJVLJOWWOA-UHFFFAOYSA-N 2 2 366.278 3.725 20 0 FHADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657347626 935307362 /nfs/dbraw/zinc/30/73/62/935307362.db2.gz DFEWAJVLJOWWOA-UHFFFAOYSA-N 2 2 366.278 3.725 20 0 FHADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000516644893 945093136 /nfs/dbraw/zinc/09/31/36/945093136.db2.gz GUBIWPKGIRWLLV-INIZCTEOSA-N 2 2 369.431 3.641 20 0 FHADLP CC1CC[NH+](CCC[C@H]([NH2+]CCn2cc[nH+]c2)c2ccc(F)cc2)CC1 ZINC000438835293 945094005 /nfs/dbraw/zinc/09/40/05/945094005.db2.gz WHZAXXPVBRFYTO-NRFANRHFSA-N 3 2 358.505 3.865 20 0 FHADLP CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)ccn1 ZINC000657356696 935339809 /nfs/dbraw/zinc/33/98/09/935339809.db2.gz PKTKHVYMISCHPI-KRWDZBQOSA-N 2 2 365.481 3.766 20 0 FHADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1NC(C)=O ZINC000152254801 935341013 /nfs/dbraw/zinc/34/10/13/935341013.db2.gz VHSDNBQWWMHXKR-OAHLLOKOSA-N 2 2 364.449 3.690 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365397 935385531 /nfs/dbraw/zinc/38/55/31/935385531.db2.gz ABOMYRMABPHGOZ-MAUKXSAKSA-N 2 2 366.431 3.910 20 0 FHADLP Cc1c[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)n1 ZINC000657365397 935385538 /nfs/dbraw/zinc/38/55/38/935385538.db2.gz ABOMYRMABPHGOZ-MAUKXSAKSA-N 2 2 366.431 3.910 20 0 FHADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000657375442 935450742 /nfs/dbraw/zinc/45/07/42/935450742.db2.gz ZFMOYLMBOMIOTP-UHFFFAOYSA-N 2 2 352.482 3.979 20 0 FHADLP CC(C)n1ccnc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000657375442 935450744 /nfs/dbraw/zinc/45/07/44/935450744.db2.gz ZFMOYLMBOMIOTP-UHFFFAOYSA-N 2 2 352.482 3.979 20 0 FHADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000582297808 935502718 /nfs/dbraw/zinc/50/27/18/935502718.db2.gz GASQJRZVWFQZDJ-PMACEKPBSA-N 2 2 371.912 3.602 20 0 FHADLP CN1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000132695107 935632627 /nfs/dbraw/zinc/63/26/27/935632627.db2.gz RAHKUNIFLPOAOJ-SFTDATJTSA-N 2 2 368.431 3.686 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431062 935712197 /nfs/dbraw/zinc/71/21/97/935712197.db2.gz CQZQVXOVTKICRO-PCCBWWKXSA-N 2 2 352.526 3.854 20 0 FHADLP CC(C)n1ccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000657431062 935712200 /nfs/dbraw/zinc/71/22/00/935712200.db2.gz CQZQVXOVTKICRO-PCCBWWKXSA-N 2 2 352.526 3.854 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149162 935800114 /nfs/dbraw/zinc/80/01/14/935800114.db2.gz DHUPWIVRUCLKDL-BEFAXECRSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000511149162 935800118 /nfs/dbraw/zinc/80/01/18/935800118.db2.gz DHUPWIVRUCLKDL-BEFAXECRSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000511149162 935800122 /nfs/dbraw/zinc/80/01/22/935800122.db2.gz DHUPWIVRUCLKDL-BEFAXECRSA-N 2 2 362.901 3.575 20 0 FHADLP COC(=O)c1ccc(Cl)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000511149162 935800126 /nfs/dbraw/zinc/80/01/26/935800126.db2.gz DHUPWIVRUCLKDL-BEFAXECRSA-N 2 2 362.901 3.575 20 0 FHADLP COc1cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1OC(F)F ZINC000152755678 935855285 /nfs/dbraw/zinc/85/52/85/935855285.db2.gz ARCNEMBJEVZKOC-ZDUSSCGKSA-N 2 2 365.424 3.723 20 0 FHADLP Cc1c([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cnn1-c1ccc(F)cc1 ZINC000152831834 935869357 /nfs/dbraw/zinc/86/93/57/935869357.db2.gz AGMKUEVVXWMHKD-HNNXBMFYSA-N 2 2 367.472 3.746 20 0 FHADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152826931 935869558 /nfs/dbraw/zinc/86/95/58/935869558.db2.gz YOCQYNRJUOALNI-QFIPXVFZSA-N 2 2 365.521 3.900 20 0 FHADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152865220 935872668 /nfs/dbraw/zinc/87/26/68/935872668.db2.gz VZPGYOWGJNXJJW-OAQYLSRUSA-N 2 2 351.494 3.592 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000106215096 945138733 /nfs/dbraw/zinc/13/87/33/945138733.db2.gz MKNBVIYFTUXFIF-ROUUACIJSA-N 2 2 354.498 3.726 20 0 FHADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000106215096 945138739 /nfs/dbraw/zinc/13/87/39/945138739.db2.gz MKNBVIYFTUXFIF-ROUUACIJSA-N 2 2 354.498 3.726 20 0 FHADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000657550862 936008286 /nfs/dbraw/zinc/00/82/86/936008286.db2.gz USVMAJYEZYVGGD-UHFFFAOYSA-N 2 2 366.431 3.743 20 0 FHADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000657550862 936008289 /nfs/dbraw/zinc/00/82/89/936008289.db2.gz USVMAJYEZYVGGD-UHFFFAOYSA-N 2 2 366.431 3.743 20 0 FHADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075532994 936009114 /nfs/dbraw/zinc/00/91/14/936009114.db2.gz NKDUQBBNQFIXRI-IBGZPJMESA-N 2 2 354.498 3.660 20 0 FHADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1)C(C)C ZINC000075532994 936009116 /nfs/dbraw/zinc/00/91/16/936009116.db2.gz NKDUQBBNQFIXRI-IBGZPJMESA-N 2 2 354.498 3.660 20 0 FHADLP Cc1cccc(NC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)[nH+]1 ZINC000077316603 936044497 /nfs/dbraw/zinc/04/44/97/936044497.db2.gz IEKSICARMBWNLZ-UHFFFAOYSA-N 2 2 361.493 3.711 20 0 FHADLP CO[C@](C)(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COCc1ccccc1 ZINC000657591444 936069260 /nfs/dbraw/zinc/06/92/60/936069260.db2.gz XEJLCMJNYCYNDT-JOCHJYFZSA-N 2 2 365.477 3.584 20 0 FHADLP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582754105 936078526 /nfs/dbraw/zinc/07/85/26/936078526.db2.gz LAXOLKCNHINATD-PKOBYXMFSA-N 2 2 352.869 3.889 20 0 FHADLP C[C@H](C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000237480563 936084606 /nfs/dbraw/zinc/08/46/06/936084606.db2.gz SXVLIOAMSCSCLZ-RVKKMQEKSA-N 2 2 372.538 3.650 20 0 FHADLP C[C@H](C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@@H]([NH3+])c1ccccc1 ZINC000237480563 936084609 /nfs/dbraw/zinc/08/46/09/936084609.db2.gz SXVLIOAMSCSCLZ-RVKKMQEKSA-N 2 2 372.538 3.650 20 0 FHADLP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccc(OC)c1 ZINC000657611586 936091351 /nfs/dbraw/zinc/09/13/51/936091351.db2.gz FLSVWUXKGYALIY-QHCPKHFHSA-N 2 2 368.521 3.679 20 0 FHADLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000582807282 936142776 /nfs/dbraw/zinc/14/27/76/936142776.db2.gz AZYASLGCEHKAFO-IBGZPJMESA-N 2 2 351.425 3.856 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266030 936174028 /nfs/dbraw/zinc/17/40/28/936174028.db2.gz ZZPCWCMRDHMQRV-QGZVFWFLSA-N 2 2 363.527 3.644 20 0 FHADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000472266030 936174029 /nfs/dbraw/zinc/17/40/29/936174029.db2.gz ZZPCWCMRDHMQRV-QGZVFWFLSA-N 2 2 363.527 3.644 20 0 FHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441465 938255475 /nfs/dbraw/zinc/25/54/75/938255475.db2.gz IQAGTRQVWQZJJI-WOJBJXKFSA-N 2 2 368.525 3.899 20 0 FHADLP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000583441465 938255476 /nfs/dbraw/zinc/25/54/76/938255476.db2.gz IQAGTRQVWQZJJI-WOJBJXKFSA-N 2 2 368.525 3.899 20 0 FHADLP C[NH+]1CCN(c2ccc(F)cc2Nc2ccc(-c3[nH]cc[nH+]3)cc2)CC1 ZINC001213088748 938290780 /nfs/dbraw/zinc/29/07/80/938290780.db2.gz BKKCMHSADDYVGM-UHFFFAOYSA-N 2 2 351.429 3.711 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631669 938300599 /nfs/dbraw/zinc/30/05/99/938300599.db2.gz GUAOZYHAZQOPNR-IRLDBZIGSA-N 3 2 355.501 3.812 20 0 FHADLP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1F ZINC000569631669 938300600 /nfs/dbraw/zinc/30/06/00/938300600.db2.gz GUAOZYHAZQOPNR-IRLDBZIGSA-N 3 2 355.501 3.812 20 0 FHADLP CN1CC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1c1ccccc1 ZINC000569631669 938300601 /nfs/dbraw/zinc/30/06/01/938300601.db2.gz GUAOZYHAZQOPNR-IRLDBZIGSA-N 2 2 355.501 3.812 20 0 FHADLP C[C@@H]([NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161821575 938356295 /nfs/dbraw/zinc/35/62/95/938356295.db2.gz AHIWUDWRCGBLGH-DNVCBOLYSA-N 2 2 370.497 3.826 20 0 FHADLP COc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000151168360 938439046 /nfs/dbraw/zinc/43/90/46/938439046.db2.gz DXMFGJFGCMUADI-SFHVURJKSA-N 2 2 373.541 3.610 20 0 FHADLP COc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000151168360 938439050 /nfs/dbraw/zinc/43/90/50/938439050.db2.gz DXMFGJFGCMUADI-SFHVURJKSA-N 2 2 373.541 3.610 20 0 FHADLP CN(C(=O)C1=CCCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000131926629 938495828 /nfs/dbraw/zinc/49/58/28/938495828.db2.gz UZTOZXQLTRKGOR-SFTDATJTSA-N 2 2 361.574 3.673 20 0 FHADLP CN(C(=O)C1=CCCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000131926629 938495830 /nfs/dbraw/zinc/49/58/30/938495830.db2.gz UZTOZXQLTRKGOR-SFTDATJTSA-N 2 2 361.574 3.673 20 0 FHADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(OC)c1 ZINC000151351376 938532707 /nfs/dbraw/zinc/53/27/07/938532707.db2.gz MSZYVPKFYQZPOK-INIZCTEOSA-N 2 2 351.450 3.799 20 0 FHADLP C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1)[C@H]1CCCC[NH2+]1 ZINC000584166899 938624197 /nfs/dbraw/zinc/62/41/97/938624197.db2.gz OGAVPCOUNABMIS-FOIQADDNSA-N 2 2 355.457 3.698 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000584365224 938711266 /nfs/dbraw/zinc/71/12/66/938711266.db2.gz LMCWYWAJADKTNB-MJGOQNOKSA-N 2 2 356.514 3.768 20 0 FHADLP CC(C)c1noc(CCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000584365224 938711268 /nfs/dbraw/zinc/71/12/68/938711268.db2.gz LMCWYWAJADKTNB-MJGOQNOKSA-N 2 2 356.514 3.768 20 0 FHADLP FC(F)(F)c1ccccc1OCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000089552120 938865807 /nfs/dbraw/zinc/86/58/07/938865807.db2.gz ROEPGQFJQHOUGQ-UHFFFAOYSA-N 2 2 365.399 3.738 20 0 FHADLP COc1cccc(COCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000090806671 938882786 /nfs/dbraw/zinc/88/27/86/938882786.db2.gz RVUPGFSMEIUIEY-KRWDZBQOSA-N 2 2 351.450 3.748 20 0 FHADLP Brc1cccc2c1CC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000091284668 938899213 /nfs/dbraw/zinc/89/92/13/938899213.db2.gz HEYOSSNVNXAYJT-KRWDZBQOSA-N 2 2 360.299 3.802 20 0 FHADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179100553 938920940 /nfs/dbraw/zinc/92/09/40/938920940.db2.gz UZGYSIZEROBCLL-QGZVFWFLSA-N 2 2 358.917 3.598 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000093318346 938924447 /nfs/dbraw/zinc/92/44/47/938924447.db2.gz AAUZAGYZAXCAFQ-WMZOPIPTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000093318346 938924450 /nfs/dbraw/zinc/92/44/50/938924450.db2.gz AAUZAGYZAXCAFQ-WMZOPIPTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318346 938924453 /nfs/dbraw/zinc/92/44/53/938924453.db2.gz AAUZAGYZAXCAFQ-WMZOPIPTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318346 938924455 /nfs/dbraw/zinc/92/44/55/938924455.db2.gz AAUZAGYZAXCAFQ-WMZOPIPTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000093318345 938924561 /nfs/dbraw/zinc/92/45/61/938924561.db2.gz AAUZAGYZAXCAFQ-AEFFLSMTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N(C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000093318345 938924562 /nfs/dbraw/zinc/92/45/62/938924562.db2.gz AAUZAGYZAXCAFQ-AEFFLSMTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318345 938924563 /nfs/dbraw/zinc/92/45/63/938924563.db2.gz AAUZAGYZAXCAFQ-AEFFLSMTSA-N 2 2 358.555 3.694 20 0 FHADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N(C)C)s2)CC[NH+]1Cc1ccccc1 ZINC000093318345 938924568 /nfs/dbraw/zinc/92/45/68/938924568.db2.gz AAUZAGYZAXCAFQ-AEFFLSMTSA-N 2 2 358.555 3.694 20 0 FHADLP C[N@@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410738 938984199 /nfs/dbraw/zinc/98/41/99/938984199.db2.gz KFOZAQPXSJATOB-OAHLLOKOSA-N 2 2 366.431 3.665 20 0 FHADLP C[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000685410738 938984200 /nfs/dbraw/zinc/98/42/00/938984200.db2.gz KFOZAQPXSJATOB-OAHLLOKOSA-N 2 2 366.431 3.665 20 0 FHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000685410738 938984201 /nfs/dbraw/zinc/98/42/01/938984201.db2.gz KFOZAQPXSJATOB-OAHLLOKOSA-N 2 2 366.431 3.665 20 0 FHADLP C[NH+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000685410738 938984202 /nfs/dbraw/zinc/98/42/02/938984202.db2.gz KFOZAQPXSJATOB-OAHLLOKOSA-N 2 2 366.431 3.665 20 0 FHADLP CN(Cc1c(Cl)oc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457542 938987836 /nfs/dbraw/zinc/98/78/36/938987836.db2.gz DFKNVODMNGEEFQ-MRXNPFEDSA-N 2 2 361.917 3.687 20 0 FHADLP CN(Cc1c(Cl)oc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457542 938987837 /nfs/dbraw/zinc/98/78/37/938987837.db2.gz DFKNVODMNGEEFQ-MRXNPFEDSA-N 2 2 361.917 3.687 20 0 FHADLP CN(Cc1ccc(Oc2ccccc2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457750 938987956 /nfs/dbraw/zinc/98/79/56/938987956.db2.gz LYDJMYYISHNDKM-IBGZPJMESA-N 2 2 369.509 3.672 20 0 FHADLP CN(Cc1ccc(Oc2ccccc2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457750 938987957 /nfs/dbraw/zinc/98/79/57/938987957.db2.gz LYDJMYYISHNDKM-IBGZPJMESA-N 2 2 369.509 3.672 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470659 938989487 /nfs/dbraw/zinc/98/94/87/938989487.db2.gz DBUCFFONNJAUEQ-PZJWPPBQSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000685470659 938989488 /nfs/dbraw/zinc/98/94/88/938989488.db2.gz DBUCFFONNJAUEQ-PZJWPPBQSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000685470659 938989489 /nfs/dbraw/zinc/98/94/89/938989489.db2.gz DBUCFFONNJAUEQ-PZJWPPBQSA-N 2 2 351.494 3.673 20 0 FHADLP COc1ccc(-c2ccncc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000685470659 938989490 /nfs/dbraw/zinc/98/94/90/938989490.db2.gz DBUCFFONNJAUEQ-PZJWPPBQSA-N 2 2 351.494 3.673 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246930257 938997971 /nfs/dbraw/zinc/99/79/71/938997971.db2.gz BUJYSTRURKMEMN-XUWXXGDYSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246930257 938997972 /nfs/dbraw/zinc/99/79/72/938997972.db2.gz BUJYSTRURKMEMN-XUWXXGDYSA-N 2 2 360.889 3.755 20 0 FHADLP Cc1cn[nH]c1C[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000685615144 939004856 /nfs/dbraw/zinc/00/48/56/939004856.db2.gz ABGZEOFYTOGEBD-UHFFFAOYSA-N 2 2 357.461 3.920 20 0 FHADLP Fc1cccc(COc2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)c1 ZINC000685629692 939006374 /nfs/dbraw/zinc/00/63/74/939006374.db2.gz GGQAXBNOYAATHH-GOSISDBHSA-N 2 2 351.425 3.775 20 0 FHADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc2c(c1)CCCO2 ZINC000657951757 939010782 /nfs/dbraw/zinc/01/07/82/939010782.db2.gz AEFRCEKTZLFBIY-OXQOHEQNSA-N 2 2 366.509 3.720 20 0 FHADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)[C@H](C)C1 ZINC000185461059 939012684 /nfs/dbraw/zinc/01/26/84/939012684.db2.gz MHGCVAUMAGCUCE-VKJFTORMSA-N 2 2 354.922 3.833 20 0 FHADLP COc1cc2ccc([C@@H](C)[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2cc1OC ZINC000658019748 939018920 /nfs/dbraw/zinc/01/89/20/939018920.db2.gz PGFZDRHBDBVGHY-DYVFJYSZSA-N 2 2 351.450 3.788 20 0 FHADLP CC(C)[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658019970 939019001 /nfs/dbraw/zinc/01/90/01/939019001.db2.gz PWWJEOALNDGHQM-WBVHZDCISA-N 2 2 362.315 3.886 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059177 939020303 /nfs/dbraw/zinc/02/03/03/939020303.db2.gz VOUGVQCYBZOOOO-ZFWWWQNUSA-N 2 2 367.921 3.528 20 0 FHADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059177 939020304 /nfs/dbraw/zinc/02/03/04/939020304.db2.gz VOUGVQCYBZOOOO-ZFWWWQNUSA-N 2 2 367.921 3.528 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658055073 939020874 /nfs/dbraw/zinc/02/08/74/939020874.db2.gz HVLPQPHVAMXRKT-ZIAGYGMSSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658055073 939020875 /nfs/dbraw/zinc/02/08/75/939020875.db2.gz HVLPQPHVAMXRKT-ZIAGYGMSSA-N 2 2 371.447 3.885 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658055382 939020939 /nfs/dbraw/zinc/02/09/39/939020939.db2.gz IELUFLDDFDWHPM-GOEBONIOSA-N 2 2 351.922 3.828 20 0 FHADLP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658055382 939020940 /nfs/dbraw/zinc/02/09/40/939020940.db2.gz IELUFLDDFDWHPM-GOEBONIOSA-N 2 2 351.922 3.828 20 0 FHADLP Clc1ccccc1N1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658069910 939021798 /nfs/dbraw/zinc/02/17/98/939021798.db2.gz UEDVVOHRLGYNNY-KRWDZBQOSA-N 2 2 370.928 3.820 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090573 939022324 /nfs/dbraw/zinc/02/23/24/939022324.db2.gz HWATXUSHLXHTKG-UONOGXRCSA-N 2 2 371.447 3.885 20 0 FHADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090573 939022325 /nfs/dbraw/zinc/02/23/25/939022325.db2.gz HWATXUSHLXHTKG-UONOGXRCSA-N 2 2 371.447 3.885 20 0 FHADLP COC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)c1cccc(OC)c1 ZINC000658166393 939054441 /nfs/dbraw/zinc/05/44/41/939054441.db2.gz UYLNUVWEBGPETE-IIBYNOLFSA-N 2 2 351.450 3.919 20 0 FHADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCC1 ZINC000516770679 945223729 /nfs/dbraw/zinc/22/37/29/945223729.db2.gz HTVGJSPBZFOECH-UHFFFAOYSA-N 2 2 359.857 3.542 20 0 FHADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215603 939077592 /nfs/dbraw/zinc/07/75/92/939077592.db2.gz VPKKOQSDOJBIDN-AVRDEDQJSA-N 2 2 362.521 3.616 20 0 FHADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cn(C)c2ccccc12 ZINC000658215603 939077596 /nfs/dbraw/zinc/07/75/96/939077596.db2.gz VPKKOQSDOJBIDN-AVRDEDQJSA-N 2 2 362.521 3.616 20 0 FHADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000658294029 939100324 /nfs/dbraw/zinc/10/03/24/939100324.db2.gz FAEIUTPFBPKWRW-DMRZNYOFSA-N 2 2 354.947 3.736 20 0 FHADLP Clc1cc2c(c(Cl)c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000658293845 939100612 /nfs/dbraw/zinc/10/06/12/939100612.db2.gz JIFRJSPGUDPXJP-RDJZCZTQSA-N 2 2 355.309 3.824 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@@H+]2C)cn1 ZINC000375788480 939129567 /nfs/dbraw/zinc/12/95/67/939129567.db2.gz AHMYEYVCPMNXOV-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCC[N@H+]2C)cn1 ZINC000375788480 939129570 /nfs/dbraw/zinc/12/95/70/939129570.db2.gz AHMYEYVCPMNXOV-QAPCUYQASA-N 2 2 366.431 3.612 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440129255 945249233 /nfs/dbraw/zinc/24/92/33/945249233.db2.gz HKQXGGAJNNEKEZ-GOSISDBHSA-N 2 2 358.873 3.871 20 0 FHADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440129255 945249240 /nfs/dbraw/zinc/24/92/40/945249240.db2.gz HKQXGGAJNNEKEZ-GOSISDBHSA-N 2 2 358.873 3.871 20 0 FHADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(-c3ccccc3)c2)nc[nH+]1 ZINC000518274299 945280395 /nfs/dbraw/zinc/28/03/95/945280395.db2.gz SQZSZNAEJRUVCP-NRFANRHFSA-N 2 2 373.504 3.944 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569810311 939989314 /nfs/dbraw/zinc/98/93/14/939989314.db2.gz HZMBNJMJHVXXRJ-OAQYLSRUSA-N 3 2 352.526 3.759 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569810311 939989320 /nfs/dbraw/zinc/98/93/20/939989320.db2.gz HZMBNJMJHVXXRJ-OAQYLSRUSA-N 3 2 352.526 3.759 20 0 FHADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000569810311 939989325 /nfs/dbraw/zinc/98/93/25/939989325.db2.gz HZMBNJMJHVXXRJ-OAQYLSRUSA-N 2 2 352.526 3.759 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000548918501 940006627 /nfs/dbraw/zinc/00/66/27/940006627.db2.gz UNWVGJPTXRLGDI-QGZVFWFLSA-N 2 2 350.466 3.845 20 0 FHADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000548918501 940006632 /nfs/dbraw/zinc/00/66/32/940006632.db2.gz UNWVGJPTXRLGDI-QGZVFWFLSA-N 2 2 350.466 3.845 20 0 FHADLP CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000024050509 940081477 /nfs/dbraw/zinc/08/14/77/940081477.db2.gz SKRLPQKXCFZDMT-UHFFFAOYSA-N 2 2 362.477 3.644 20 0 FHADLP C[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000177388208 940165571 /nfs/dbraw/zinc/16/55/71/940165571.db2.gz ATJRXHIRGLPTBQ-MRXNPFEDSA-N 2 2 370.497 3.922 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303174 /nfs/dbraw/zinc/30/31/74/945303174.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 2 2 363.549 3.790 20 0 FHADLP CN(C)C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccc1 ZINC000507526213 945303178 /nfs/dbraw/zinc/30/31/78/945303178.db2.gz LKWNBYIRLRAFQE-XQUALCHDSA-N 2 2 363.549 3.790 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCSc4ccccc43)CCC[N@@H+]2C)cn1 ZINC000376168876 940409919 /nfs/dbraw/zinc/40/99/19/940409919.db2.gz YQFVNMATWRHOGU-MOXGXCLJSA-N 2 2 356.539 3.630 20 0 FHADLP Cn1cc([C@H]2[C@@H](C[NH2+][C@H]3CCSc4ccccc43)CCC[N@H+]2C)cn1 ZINC000376168876 940409922 /nfs/dbraw/zinc/40/99/22/940409922.db2.gz YQFVNMATWRHOGU-MOXGXCLJSA-N 2 2 356.539 3.630 20 0 FHADLP COc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(C)c1 ZINC000414096980 940502372 /nfs/dbraw/zinc/50/23/72/940502372.db2.gz MLXVJENVGYYKKO-AEFFLSMTSA-N 2 2 354.498 3.712 20 0 FHADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431800955 940602895 /nfs/dbraw/zinc/60/28/95/940602895.db2.gz XZYCVEJWQVZGDV-YLJYHZDGSA-N 2 2 371.550 3.646 20 0 FHADLP Cc1cc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000613502933 940791298 /nfs/dbraw/zinc/79/12/98/940791298.db2.gz BQICMLYMTCEWED-LJQANCHMSA-N 2 2 364.518 3.788 20 0 FHADLP Cc1cc(NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)nc(C)[nH+]1 ZINC000613502933 940791300 /nfs/dbraw/zinc/79/13/00/940791300.db2.gz BQICMLYMTCEWED-LJQANCHMSA-N 2 2 364.518 3.788 20 0 FHADLP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1csc(C)n1 ZINC000414266391 940864160 /nfs/dbraw/zinc/86/41/60/940864160.db2.gz MDLJUQOJZGUHHV-XFQXTVEOSA-N 2 2 359.539 3.639 20 0 FHADLP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1csc(C)n1 ZINC000414266391 940864163 /nfs/dbraw/zinc/86/41/63/940864163.db2.gz MDLJUQOJZGUHHV-XFQXTVEOSA-N 2 2 359.539 3.639 20 0 FHADLP Cc1ccc(Br)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000414273778 940871962 /nfs/dbraw/zinc/87/19/62/940871962.db2.gz ZUKJXTKQIRWJJM-UHFFFAOYSA-N 2 2 360.299 3.911 20 0 FHADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]c4c(O)cccc34)c2)CCO1 ZINC000685904973 940935366 /nfs/dbraw/zinc/93/53/66/940935366.db2.gz ZDBWZCMMWTVUSR-MRXNPFEDSA-N 2 2 363.461 3.773 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]c4c(O)cccc34)c2)CCO1 ZINC000685904973 940935370 /nfs/dbraw/zinc/93/53/70/940935370.db2.gz ZDBWZCMMWTVUSR-MRXNPFEDSA-N 2 2 363.461 3.773 20 0 FHADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658798 945362023 /nfs/dbraw/zinc/36/20/23/945362023.db2.gz HGINDQTZAGFXBT-QHCPKHFHSA-N 2 2 363.505 3.857 20 0 FHADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658798 945362035 /nfs/dbraw/zinc/36/20/35/945362035.db2.gz HGINDQTZAGFXBT-QHCPKHFHSA-N 2 2 363.505 3.857 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658798 945362046 /nfs/dbraw/zinc/36/20/46/945362046.db2.gz HGINDQTZAGFXBT-QHCPKHFHSA-N 2 2 363.505 3.857 20 0 FHADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C(=O)Nc3ccccc3)c1)C2 ZINC000660658798 945362056 /nfs/dbraw/zinc/36/20/56/945362056.db2.gz HGINDQTZAGFXBT-QHCPKHFHSA-N 2 2 363.505 3.857 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037167 941563367 /nfs/dbraw/zinc/56/33/67/941563367.db2.gz GNMRDGIFEHKJLT-DOTOQJQBSA-N 2 2 371.506 3.503 20 0 FHADLP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037167 941563368 /nfs/dbraw/zinc/56/33/68/941563368.db2.gz GNMRDGIFEHKJLT-DOTOQJQBSA-N 2 2 371.506 3.503 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000549167432 941575611 /nfs/dbraw/zinc/57/56/11/941575611.db2.gz VMPDYEJLHUNMNE-HXUWFJFHSA-N 2 2 370.493 3.847 20 0 FHADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)o1 ZINC000549167432 941575615 /nfs/dbraw/zinc/57/56/15/941575615.db2.gz VMPDYEJLHUNMNE-HXUWFJFHSA-N 2 2 370.493 3.847 20 0 FHADLP [NH3+]C[C@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C1CCCC1 ZINC000415065032 941577597 /nfs/dbraw/zinc/57/75/97/941577597.db2.gz MATSRMDUCTUUNX-SFHVURJKSA-N 2 2 366.431 3.557 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415084672 941595281 /nfs/dbraw/zinc/59/52/81/941595281.db2.gz PFKYXVHBYGGCDR-YFXJRYMSSA-N 2 2 364.537 3.690 20 0 FHADLP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000415084672 941595283 /nfs/dbraw/zinc/59/52/83/941595283.db2.gz PFKYXVHBYGGCDR-YFXJRYMSSA-N 2 2 364.537 3.690 20 0 FHADLP C[C@H](c1cccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1)[NH+]1CCOCC1 ZINC000415149892 941630668 /nfs/dbraw/zinc/63/06/68/941630668.db2.gz OSUFVBPLWXKNSV-JKSUJKDBSA-N 2 2 368.481 3.744 20 0 FHADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)c2ccccc21 ZINC000549237539 941697576 /nfs/dbraw/zinc/69/75/76/941697576.db2.gz SEHFSWQEPRAPLV-RBUKOAKNSA-N 2 2 353.466 3.655 20 0 FHADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000513347286 941867067 /nfs/dbraw/zinc/86/70/67/941867067.db2.gz HPNCAMWRNZNNTP-IGEOTXOUSA-N 2 2 356.432 3.718 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCO2 ZINC000513402783 941898311 /nfs/dbraw/zinc/89/83/11/941898311.db2.gz YZUUWESDNBXSET-KRWDZBQOSA-N 2 2 360.498 3.512 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc2c1OCO2 ZINC000513402783 941898317 /nfs/dbraw/zinc/89/83/17/941898317.db2.gz YZUUWESDNBXSET-KRWDZBQOSA-N 2 2 360.498 3.512 20 0 FHADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCO2 ZINC000513402784 941898405 /nfs/dbraw/zinc/89/84/05/941898405.db2.gz YZUUWESDNBXSET-QGZVFWFLSA-N 2 2 360.498 3.512 20 0 FHADLP COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc2c1OCO2 ZINC000513402784 941898410 /nfs/dbraw/zinc/89/84/10/941898410.db2.gz YZUUWESDNBXSET-QGZVFWFLSA-N 2 2 360.498 3.512 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000513462629 941941266 /nfs/dbraw/zinc/94/12/66/941941266.db2.gz FVJMQKWQFQCPSP-WTIAFYNJSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000513462629 941941268 /nfs/dbraw/zinc/94/12/68/941941268.db2.gz FVJMQKWQFQCPSP-WTIAFYNJSA-N 2 2 351.538 3.932 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)c2)CCO1 ZINC000513537524 941994281 /nfs/dbraw/zinc/99/42/81/941994281.db2.gz AHDJFWYOJOOFLD-QVKFZJNVSA-N 2 2 372.459 3.963 20 0 FHADLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793492 941995959 /nfs/dbraw/zinc/99/59/59/941995959.db2.gz SJYCKNPHZBDNMK-KPZWWZAWSA-N 2 2 351.466 3.730 20 0 FHADLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)[C@@H](C)C2)s1 ZINC000377793492 941995963 /nfs/dbraw/zinc/99/59/63/941995963.db2.gz SJYCKNPHZBDNMK-KPZWWZAWSA-N 2 2 351.466 3.730 20 0 FHADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000163794259 942021512 /nfs/dbraw/zinc/02/15/12/942021512.db2.gz YKYJAIKNXGBULG-OAHLLOKOSA-N 2 2 353.470 3.518 20 0 FHADLP COc1c(C)cc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C ZINC000434007668 942037174 /nfs/dbraw/zinc/03/71/74/942037174.db2.gz WHZOTBKSXLNMNA-SFTDATJTSA-N 2 2 353.510 3.832 20 0 FHADLP COc1c(C)cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C ZINC000434007668 942037177 /nfs/dbraw/zinc/03/71/77/942037177.db2.gz WHZOTBKSXLNMNA-SFTDATJTSA-N 2 2 353.510 3.832 20 0 FHADLP COc1c(C)cc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C ZINC000434007668 942037181 /nfs/dbraw/zinc/03/71/81/942037181.db2.gz WHZOTBKSXLNMNA-SFTDATJTSA-N 2 2 353.510 3.832 20 0 FHADLP COc1c(C)cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C ZINC000434007668 942037183 /nfs/dbraw/zinc/03/71/83/942037183.db2.gz WHZOTBKSXLNMNA-SFTDATJTSA-N 2 2 353.510 3.832 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017067 942041458 /nfs/dbraw/zinc/04/14/58/942041458.db2.gz KZLZEZSCJIDYKU-SIKLNZKXSA-N 2 2 370.541 3.642 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017067 942041464 /nfs/dbraw/zinc/04/14/64/942041464.db2.gz KZLZEZSCJIDYKU-SIKLNZKXSA-N 2 2 370.541 3.642 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OC)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017067 942041466 /nfs/dbraw/zinc/04/14/66/942041466.db2.gz KZLZEZSCJIDYKU-SIKLNZKXSA-N 2 2 370.541 3.642 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OC)c(C)c2)[C@@H]1c1cnn(C)c1 ZINC000434017067 942041471 /nfs/dbraw/zinc/04/14/71/942041471.db2.gz KZLZEZSCJIDYKU-SIKLNZKXSA-N 2 2 370.541 3.642 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)cc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434018682 942042664 /nfs/dbraw/zinc/04/26/64/942042664.db2.gz QZLBKXTUUKGENI-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(F)cc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434018682 942042667 /nfs/dbraw/zinc/04/26/67/942042667.db2.gz QZLBKXTUUKGENI-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(F)cc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434018682 942042670 /nfs/dbraw/zinc/04/26/70/942042670.db2.gz QZLBKXTUUKGENI-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(F)cc(F)c2)[C@@H]1c1cnn(C)c1 ZINC000434018682 942042672 /nfs/dbraw/zinc/04/26/72/942042672.db2.gz QZLBKXTUUKGENI-OXJNMPFZSA-N 2 2 362.468 3.603 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000377860741 942043758 /nfs/dbraw/zinc/04/37/58/942043758.db2.gz LPCWKKCZHIWRPB-SFHVURJKSA-N 2 2 365.481 3.764 20 0 FHADLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000377860741 942043763 /nfs/dbraw/zinc/04/37/63/942043763.db2.gz LPCWKKCZHIWRPB-SFHVURJKSA-N 2 2 365.481 3.764 20 0 FHADLP Cc1ccc(N2CCC([NH2+]Cc3ncc(C(F)(F)F)s3)CC2)[nH+]c1 ZINC000377869520 942046147 /nfs/dbraw/zinc/04/61/47/942046147.db2.gz DWZUHNQNRULNEF-UHFFFAOYSA-N 2 2 356.417 3.624 20 0 FHADLP COc1cc([C@H](C)[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926735 942071919 /nfs/dbraw/zinc/07/19/19/942071919.db2.gz YCJFZZYWGSQUIJ-KRWDZBQOSA-N 2 2 371.500 3.929 20 0 FHADLP COc1cc([C@H](C)[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1F ZINC000377926735 942071923 /nfs/dbraw/zinc/07/19/23/942071923.db2.gz YCJFZZYWGSQUIJ-KRWDZBQOSA-N 2 2 371.500 3.929 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217093 942132044 /nfs/dbraw/zinc/13/20/44/942132044.db2.gz IYRVBHLBJNLSRF-WWGRRREGSA-N 2 2 362.823 3.609 20 0 FHADLP OC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000280217093 942132048 /nfs/dbraw/zinc/13/20/48/942132048.db2.gz IYRVBHLBJNLSRF-WWGRRREGSA-N 2 2 362.823 3.609 20 0 FHADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC000420762276 942198498 /nfs/dbraw/zinc/19/84/98/942198498.db2.gz AGRCXMAGKWTXOI-HXUWFJFHSA-N 2 2 354.498 3.581 20 0 FHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)cc(C)[nH+]1 ZINC000420790798 942210758 /nfs/dbraw/zinc/21/07/58/942210758.db2.gz ZIOHTIJCJOGODO-UHFFFAOYSA-N 2 2 354.498 3.538 20 0 FHADLP Cc1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)cc(C)[nH+]1 ZINC000420790798 942210769 /nfs/dbraw/zinc/21/07/69/942210769.db2.gz ZIOHTIJCJOGODO-UHFFFAOYSA-N 2 2 354.498 3.538 20 0 FHADLP Cn1c(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)nc2ccccc21 ZINC000584550904 942228209 /nfs/dbraw/zinc/22/82/09/942228209.db2.gz LYKUEDDTPZXDKY-UHFFFAOYSA-N 2 2 351.498 3.505 20 0 FHADLP CCC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420911891 942251024 /nfs/dbraw/zinc/25/10/24/942251024.db2.gz GSIDIQJQDABDQX-BDTNDASRSA-N 2 2 372.553 3.544 20 0 FHADLP CCC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000420911891 942251028 /nfs/dbraw/zinc/25/10/28/942251028.db2.gz GSIDIQJQDABDQX-BDTNDASRSA-N 2 2 372.553 3.544 20 0 FHADLP c1csc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCCC2)n1 ZINC000420927603 942258935 /nfs/dbraw/zinc/25/89/35/942258935.db2.gz AKGZTKQKVODOSL-UHFFFAOYSA-N 2 2 357.523 3.534 20 0 FHADLP c1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420942103 942265856 /nfs/dbraw/zinc/26/58/56/942265856.db2.gz URIZBQLVCAWKPH-HSZRJFAPSA-N 2 2 365.521 3.595 20 0 FHADLP c1ccc(N[C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000420942103 942265860 /nfs/dbraw/zinc/26/58/60/942265860.db2.gz URIZBQLVCAWKPH-HSZRJFAPSA-N 2 2 365.521 3.595 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000420975956 942287829 /nfs/dbraw/zinc/28/78/29/942287829.db2.gz GKAAARMHRGAVGR-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000420975956 942287832 /nfs/dbraw/zinc/28/78/32/942287832.db2.gz GKAAARMHRGAVGR-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000420975956 942287835 /nfs/dbraw/zinc/28/78/35/942287835.db2.gz GKAAARMHRGAVGR-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000420975956 942287837 /nfs/dbraw/zinc/28/78/37/942287837.db2.gz GKAAARMHRGAVGR-UHFFFAOYSA-N 2 2 369.475 3.697 20 0 FHADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(Br)c1Cl ZINC000414488307 942298574 /nfs/dbraw/zinc/29/85/74/942298574.db2.gz WKQGBSQPYXCCSR-UHFFFAOYSA-N 2 2 354.679 3.853 20 0 FHADLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCCC34CCOCC4)c(C)c2)CC1 ZINC000502249874 942312788 /nfs/dbraw/zinc/31/27/88/942312788.db2.gz GHZVMCHUAQLJQG-NRFANRHFSA-N 2 2 357.542 3.898 20 0 FHADLP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378184392 942364416 /nfs/dbraw/zinc/36/44/16/942364416.db2.gz OMEWMFMWRAKQHE-CRAIPNDOSA-N 2 2 354.498 3.638 20 0 FHADLP c1ccc([C@@H]2CCc3nc(C[NH2+]C4C[C@H]5CC[C@@H](C4)[NH2+]5)sc3C2)cc1 ZINC000414823780 942445493 /nfs/dbraw/zinc/44/54/93/942445493.db2.gz DTYPRLMSSPTVGF-HRBLRVMOSA-N 2 2 353.535 3.788 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938287 942485226 /nfs/dbraw/zinc/48/52/26/942485226.db2.gz JDEUQBDACFIPOV-ZOWXZIJZSA-N 2 2 368.403 3.876 20 0 FHADLP CC[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1[NH3+] ZINC000647938287 942485228 /nfs/dbraw/zinc/48/52/28/942485228.db2.gz JDEUQBDACFIPOV-ZOWXZIJZSA-N 2 2 368.403 3.876 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502551501 942529646 /nfs/dbraw/zinc/52/96/46/942529646.db2.gz MIZYVMZYIZHXOK-OKZBNKHCSA-N 2 2 369.912 3.507 20 0 FHADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000502551501 942529650 /nfs/dbraw/zinc/52/96/50/942529650.db2.gz MIZYVMZYIZHXOK-OKZBNKHCSA-N 2 2 369.912 3.507 20 0 FHADLP CCOc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1OCC(F)(F)F ZINC000414837092 942530558 /nfs/dbraw/zinc/53/05/58/942530558.db2.gz UDPOEPGHTKWIAO-INIZCTEOSA-N 2 2 368.399 3.816 20 0 FHADLP C[NH+](C)[C@@H](CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)c1ccccc1 ZINC000416245876 942548084 /nfs/dbraw/zinc/54/80/84/942548084.db2.gz TYWLEVWRWBNKOT-PMACEKPBSA-N 2 2 371.912 3.506 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617136 942576581 /nfs/dbraw/zinc/57/65/81/942576581.db2.gz GKMWFERHTQHQKP-MOPGFXCFSA-N 2 2 368.525 3.518 20 0 FHADLP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000501617136 942576587 /nfs/dbraw/zinc/57/65/87/942576587.db2.gz GKMWFERHTQHQKP-MOPGFXCFSA-N 2 2 368.525 3.518 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC001268967025 942604191 /nfs/dbraw/zinc/60/41/91/942604191.db2.gz GMQBXBVAWSZWIY-SXLOBPIMSA-N 2 2 351.579 3.608 20 0 FHADLP CCC[C@H](CC)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC001268967025 942604201 /nfs/dbraw/zinc/60/42/01/942604201.db2.gz GMQBXBVAWSZWIY-SXLOBPIMSA-N 2 2 351.579 3.608 20 0 FHADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)cc1 ZINC000414844586 942611821 /nfs/dbraw/zinc/61/18/21/942611821.db2.gz KXKSPKPZROKEQK-PGRDOPGGSA-N 2 2 367.537 3.537 20 0 FHADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2ccccc2c1 ZINC000420354786 942634811 /nfs/dbraw/zinc/63/48/11/942634811.db2.gz DKDNYYMGWTXAJG-IERDGZPVSA-N 2 2 353.510 3.514 20 0 FHADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccccc1-c1ccccc1)C1CCCCC1 ZINC000420356248 942635959 /nfs/dbraw/zinc/63/59/59/942635959.db2.gz GJDDKPMYBYDLDX-OAQYLSRUSA-N 2 2 351.494 3.789 20 0 FHADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000420360180 942637974 /nfs/dbraw/zinc/63/79/74/942637974.db2.gz KQTCRJLXGMHQRA-ICSRJNTNSA-N 2 2 373.928 3.509 20 0 FHADLP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(Cl)cc1Cl ZINC000420367082 942641671 /nfs/dbraw/zinc/64/16/71/942641671.db2.gz GOCICNXFKWYSRX-UUWFMWQGSA-N 2 2 353.293 3.575 20 0 FHADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccc1Sc1ccccc1 ZINC000420374424 942644632 /nfs/dbraw/zinc/64/46/32/942644632.db2.gz RYYBENVCTJJPKP-LJQANCHMSA-N 2 2 369.534 3.754 20 0 FHADLP c1ccc(COc2cncc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647902847 942666645 /nfs/dbraw/zinc/66/66/45/942666645.db2.gz CTRVCFKLODWODL-UNMCSNQZSA-N 2 2 351.494 3.625 20 0 FHADLP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cc1 ZINC000647902847 942666652 /nfs/dbraw/zinc/66/66/52/942666652.db2.gz CTRVCFKLODWODL-UNMCSNQZSA-N 2 2 351.494 3.625 20 0 FHADLP CSc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659990794 942780988 /nfs/dbraw/zinc/78/09/88/942780988.db2.gz HDEMMJMWFDKFKS-UHFFFAOYSA-N 2 2 355.551 3.942 20 0 FHADLP CSc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000659990794 942780993 /nfs/dbraw/zinc/78/09/93/942780993.db2.gz HDEMMJMWFDKFKS-UHFFFAOYSA-N 2 2 355.551 3.942 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cn3ccsc3n2)cc1F ZINC000378463110 942787223 /nfs/dbraw/zinc/78/72/23/942787223.db2.gz OZNDLRFRHNRYHZ-LBPRGKRZSA-N 2 2 355.442 3.880 20 0 FHADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000514210938 942820392 /nfs/dbraw/zinc/82/03/92/942820392.db2.gz LQNKGYOAWDCPKL-CRAIPNDOSA-N 2 2 354.922 3.575 20 0 FHADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2OC)[C@H](C)C1 ZINC000514210938 942820398 /nfs/dbraw/zinc/82/03/98/942820398.db2.gz LQNKGYOAWDCPKL-CRAIPNDOSA-N 2 2 354.922 3.575 20 0 FHADLP Cc1noc(C)c1C[NH+](CCCCn1cc[nH+]c1C)Cc1c(C)noc1C ZINC000502891424 942820543 /nfs/dbraw/zinc/82/05/43/942820543.db2.gz XSWSBCKFHLHYNR-UHFFFAOYSA-N 2 2 371.485 3.884 20 0 FHADLP COc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000414849968 942853575 /nfs/dbraw/zinc/85/35/75/942853575.db2.gz RUBDOWYZFIZMHS-KKSFZXQISA-N 2 2 369.509 3.825 20 0 FHADLP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687258 942865446 /nfs/dbraw/zinc/86/54/46/942865446.db2.gz CPPDDASPYFQONL-HXUWFJFHSA-N 2 2 367.493 3.622 20 0 FHADLP C[NH+](C)C1(CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CCCCCC1 ZINC000425143848 942879148 /nfs/dbraw/zinc/87/91/48/942879148.db2.gz BFEVUBBLRZJSDR-IBGZPJMESA-N 2 2 368.525 3.703 20 0 FHADLP C[N@H+](CCSc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434733655 942900697 /nfs/dbraw/zinc/90/06/97/942900697.db2.gz CBYDSLMJMDASGH-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[N@@H+](CCSc1ccccc1F)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434733655 942900701 /nfs/dbraw/zinc/90/07/01/942900701.db2.gz CBYDSLMJMDASGH-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[NH+](CCSc1ccccc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434733655 942900705 /nfs/dbraw/zinc/90/07/05/942900705.db2.gz CBYDSLMJMDASGH-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP C[NH+](CCSc1ccccc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434733655 942900706 /nfs/dbraw/zinc/90/07/06/942900706.db2.gz CBYDSLMJMDASGH-PXNSSMCTSA-N 2 2 359.514 3.938 20 0 FHADLP c1cn(C2CCCC2)nc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434744003 942935200 /nfs/dbraw/zinc/93/52/00/942935200.db2.gz CHBPGNSUQAWZLJ-UHFFFAOYSA-N 2 2 353.514 3.911 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 ZINC000422024067 942941575 /nfs/dbraw/zinc/94/15/75/942941575.db2.gz QTXGYCRIXQHJOQ-UHFFFAOYSA-N 2 2 363.590 3.612 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC3CCC(C)(C)CC3)CC2)CC1 ZINC000422024067 942941580 /nfs/dbraw/zinc/94/15/80/942941580.db2.gz QTXGYCRIXQHJOQ-UHFFFAOYSA-N 2 2 363.590 3.612 20 0 FHADLP COCCC1(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000363881799 942945208 /nfs/dbraw/zinc/94/52/08/942945208.db2.gz DAKAKOJXTPSTLS-SFTDATJTSA-N 2 2 359.558 3.993 20 0 FHADLP COCCC1(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000363881799 942945214 /nfs/dbraw/zinc/94/52/14/942945214.db2.gz DAKAKOJXTPSTLS-SFTDATJTSA-N 2 2 359.558 3.993 20 0 FHADLP COCCC1(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000363881799 942945218 /nfs/dbraw/zinc/94/52/18/942945218.db2.gz DAKAKOJXTPSTLS-SFTDATJTSA-N 2 2 359.558 3.993 20 0 FHADLP COCCC1(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCCCC1 ZINC000363881799 942945222 /nfs/dbraw/zinc/94/52/22/942945222.db2.gz DAKAKOJXTPSTLS-SFTDATJTSA-N 2 2 359.558 3.993 20 0 FHADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)c3ccccc3C)CC2)CC1 ZINC000422015563 942951936 /nfs/dbraw/zinc/95/19/36/942951936.db2.gz GYVIAIJRIRGBMH-FQEVSTJZSA-N 2 2 371.569 3.507 20 0 FHADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)c3ccccc3C)CC2)CC1 ZINC000422015563 942951942 /nfs/dbraw/zinc/95/19/42/942951942.db2.gz GYVIAIJRIRGBMH-FQEVSTJZSA-N 2 2 371.569 3.507 20 0 FHADLP Fc1ccc([C@H]2C[C@@H]([NH2+]C3CCN(c4cccc[nH+]4)CC3)CCO2)cc1 ZINC000273421342 942953011 /nfs/dbraw/zinc/95/30/11/942953011.db2.gz JJGWUBSQVXSDEF-VQTJNVASSA-N 2 2 355.457 3.699 20 0 FHADLP C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312263033 943011535 /nfs/dbraw/zinc/01/15/35/943011535.db2.gz DBGRDSXHFJGDDE-MRXNPFEDSA-N 2 2 370.497 3.922 20 0 FHADLP CSc1ccc([C@H](CNC(=O)NCc2cc(C)[nH+]c(C)c2)[NH+](C)C)cc1 ZINC000422213464 943057118 /nfs/dbraw/zinc/05/71/18/943057118.db2.gz RYLLXCMQNSKFGQ-IBGZPJMESA-N 2 2 372.538 3.522 20 0 FHADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc2c(c1)OCO2 ZINC000271935629 943072079 /nfs/dbraw/zinc/07/20/79/943072079.db2.gz AEINNVSMLCDTII-OAHLLOKOSA-N 2 2 368.481 3.514 20 0 FHADLP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc2ccccc21 ZINC000434976438 943080140 /nfs/dbraw/zinc/08/01/40/943080140.db2.gz LECSSOFFALZMKW-INIZCTEOSA-N 2 2 362.477 3.620 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365188 943150252 /nfs/dbraw/zinc/15/02/52/943150252.db2.gz GMCKUBRKWWPJBX-MKXGPGLRSA-N 2 2 372.557 3.577 20 0 FHADLP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503365188 943150256 /nfs/dbraw/zinc/15/02/56/943150256.db2.gz GMCKUBRKWWPJBX-MKXGPGLRSA-N 2 2 372.557 3.577 20 0 FHADLP COc1c(C)cnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503430405 943179071 /nfs/dbraw/zinc/17/90/71/943179071.db2.gz KZKWNMKDHXNKJV-KRWDZBQOSA-N 2 2 354.498 3.619 20 0 FHADLP COc1c(C)cnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000503430405 943179076 /nfs/dbraw/zinc/17/90/76/943179076.db2.gz KZKWNMKDHXNKJV-KRWDZBQOSA-N 2 2 354.498 3.619 20 0 FHADLP Fc1ccc2oc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000503432887 943180512 /nfs/dbraw/zinc/18/05/12/943180512.db2.gz AUTGRRSQFVAZOE-AWEZNQCLSA-N 2 2 354.429 3.879 20 0 FHADLP Fc1ccc2oc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)nc2c1 ZINC000503432887 943180515 /nfs/dbraw/zinc/18/05/15/943180515.db2.gz AUTGRRSQFVAZOE-AWEZNQCLSA-N 2 2 354.429 3.879 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422639645 943207843 /nfs/dbraw/zinc/20/78/43/943207843.db2.gz UAUGBCFHQSDGKO-BZPMIXESSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@@H]1C[NH3+] ZINC000422639645 943207846 /nfs/dbraw/zinc/20/78/46/943207846.db2.gz UAUGBCFHQSDGKO-BZPMIXESSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C[NH3+] ZINC000422631176 943214139 /nfs/dbraw/zinc/21/41/39/943214139.db2.gz FEIBHMXWZBJRFY-MBNYWOFBSA-N 2 2 368.403 3.561 20 0 FHADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1C[NH3+] ZINC000422631176 943214143 /nfs/dbraw/zinc/21/41/43/943214143.db2.gz FEIBHMXWZBJRFY-MBNYWOFBSA-N 2 2 368.403 3.561 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422748862 943270709 /nfs/dbraw/zinc/27/07/09/943270709.db2.gz WNTGUGRJUZRHPA-SJLPKXTDSA-N 3 2 352.526 3.725 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422771764 943277707 /nfs/dbraw/zinc/27/77/07/943277707.db2.gz YNVQBAHACKOJPU-VMXMFDLUSA-N 2 2 360.542 3.919 20 0 FHADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422776980 943279223 /nfs/dbraw/zinc/27/92/23/943279223.db2.gz BKMFWINRUSNHPX-GOEBONIOSA-N 2 2 362.420 3.614 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000422776984 943279328 /nfs/dbraw/zinc/27/93/28/943279328.db2.gz BKMFWINRUSNHPX-ZBFHGGJFSA-N 2 2 362.420 3.614 20 0 FHADLP COc1ccc([C@H]([NH2+]CCc2ccc3ccccc3n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422782862 943281519 /nfs/dbraw/zinc/28/15/19/943281519.db2.gz NNBFHZCUMDCSMF-GOTSBHOMSA-N 2 2 361.489 3.869 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795169 943285695 /nfs/dbraw/zinc/28/56/95/943285695.db2.gz ZTAORKXHSGJGTD-RBBKRZOGSA-N 2 2 364.493 3.518 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@@H](c2cccnc2)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422830156 943297859 /nfs/dbraw/zinc/29/78/59/943297859.db2.gz IFLVZNFMSDFJEB-VSKRKVRLSA-N 2 2 353.510 3.913 20 0 FHADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1csc(CCc2ccccc2)n1 ZINC000422846443 943303858 /nfs/dbraw/zinc/30/38/58/943303858.db2.gz FMIJQQMSILLEOF-OAHLLOKOSA-N 2 2 366.534 3.941 20 0 FHADLP COc1ccc([C@H]([NH2+]C[C@H]2CCOc3ccccc32)[C@H]2CCC[NH2+]2)cc1 ZINC000422889232 943319029 /nfs/dbraw/zinc/31/90/29/943319029.db2.gz PBHSJMGMDYLYLD-ZNLUXHQJSA-N 2 2 352.478 3.644 20 0 FHADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000422929798 943335404 /nfs/dbraw/zinc/33/54/04/943335404.db2.gz ACHHTMUIAHYNTR-JEBQAFNWSA-N 2 2 367.331 3.647 20 0 FHADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422962620 943342851 /nfs/dbraw/zinc/34/28/51/943342851.db2.gz CWJJQJSQWXQPTH-KDXIVRHGSA-N 3 2 356.558 3.507 20 0 FHADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(OCc2ccccc2)c1 ZINC000422966522 943343795 /nfs/dbraw/zinc/34/37/95/943343795.db2.gz AKQWOYYYXYPUJM-PGRDOPGGSA-N 2 2 361.489 3.709 20 0 FHADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000422944843 943345049 /nfs/dbraw/zinc/34/50/49/943345049.db2.gz MQRROFRHBXKFIB-OMYRSMHSSA-N 2 2 362.517 3.640 20 0 FHADLP CCOc1ccc([C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c2ccccc2)cc1 ZINC000422949893 943346897 /nfs/dbraw/zinc/34/68/97/943346897.db2.gz UWGZCOHCLBAJOF-PIPMEXSNSA-N 2 2 354.494 3.531 20 0 FHADLP COc1ccc([C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H]2CCC[NH2+]2)cc1 ZINC000422954638 943348820 /nfs/dbraw/zinc/34/88/20/943348820.db2.gz JMEJNMZVKNZIOM-WIYYLYMNSA-N 2 2 371.550 3.656 20 0 FHADLP COc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1SC ZINC000435382874 943371568 /nfs/dbraw/zinc/37/15/68/943371568.db2.gz FNYWUOCPDNZHMV-IBGZPJMESA-N 2 2 371.550 3.956 20 0 FHADLP COc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1SC ZINC000435382874 943371574 /nfs/dbraw/zinc/37/15/74/943371574.db2.gz FNYWUOCPDNZHMV-IBGZPJMESA-N 2 2 371.550 3.956 20 0 FHADLP FC(F)(F)C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000423035086 943372528 /nfs/dbraw/zinc/37/25/28/943372528.db2.gz IRVCIAJNXFWDTI-ZDUSSCGKSA-N 2 2 351.210 3.784 20 0 FHADLP FC(F)Oc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435389531 943375924 /nfs/dbraw/zinc/37/59/24/943375924.db2.gz LFKIIKDXMUOBEW-SFHVURJKSA-N 2 2 361.436 3.827 20 0 FHADLP FC(F)Oc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435389531 943375927 /nfs/dbraw/zinc/37/59/27/943375927.db2.gz LFKIIKDXMUOBEW-SFHVURJKSA-N 2 2 361.436 3.827 20 0 FHADLP C[C@@H]([NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1)[C@H]1CCC[NH2+]1 ZINC000423074132 943382980 /nfs/dbraw/zinc/38/29/80/943382980.db2.gz UBSAKYCOWPLXSZ-NIKGAXFTSA-N 2 2 374.326 3.858 20 0 FHADLP Cc1cc(Cl)ccc1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435433826 943396289 /nfs/dbraw/zinc/39/62/89/943396289.db2.gz PEIJAIAAWQBMMO-SFHVURJKSA-N 2 2 358.917 3.526 20 0 FHADLP Cc1cc(Cl)ccc1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435433826 943396296 /nfs/dbraw/zinc/39/62/96/943396296.db2.gz PEIJAIAAWQBMMO-SFHVURJKSA-N 2 2 358.917 3.526 20 0 FHADLP Cn1ccnc1C[N@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432679 943396486 /nfs/dbraw/zinc/39/64/86/943396486.db2.gz OEVMEJLLOCKFSP-QGZVFWFLSA-N 2 2 372.582 3.923 20 0 FHADLP Cn1ccnc1C[N@@H+](Cc1ccc(C(C)(C)C)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432679 943396492 /nfs/dbraw/zinc/39/64/92/943396492.db2.gz OEVMEJLLOCKFSP-QGZVFWFLSA-N 2 2 372.582 3.923 20 0 FHADLP CC(C)Oc1ccc([C@H](C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])N(C)C)cc1 ZINC000423127860 943399939 /nfs/dbraw/zinc/39/99/39/943399939.db2.gz PTAADZFSTOYVEQ-NMNUPHIUSA-N 2 2 369.553 3.625 20 0 FHADLP CC(C)c1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435429775 943408217 /nfs/dbraw/zinc/40/82/17/943408217.db2.gz ZLOBVCMWYBNQOM-HXUWFJFHSA-N 2 2 352.526 3.688 20 0 FHADLP CC(C)c1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435429775 943408223 /nfs/dbraw/zinc/40/82/23/943408223.db2.gz ZLOBVCMWYBNQOM-HXUWFJFHSA-N 2 2 352.526 3.688 20 0 FHADLP COc1ccc([C@H]([NH2+]CC(C)(C)c2ncccc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423139480 943416586 /nfs/dbraw/zinc/41/65/86/943416586.db2.gz KVTRIOCRMSHTNZ-PMACEKPBSA-N 2 2 353.510 3.759 20 0 FHADLP Cc1ncsc1C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435448297 943423820 /nfs/dbraw/zinc/42/38/20/943423820.db2.gz URJCDOSFVCEHFQ-HNNXBMFYSA-N 2 2 367.465 3.665 20 0 FHADLP Cc1ncsc1C[N@H+](Cc1cccc(OC(F)F)c1)C[C@H]1CC[NH2+]C1 ZINC000435448297 943423824 /nfs/dbraw/zinc/42/38/24/943423824.db2.gz URJCDOSFVCEHFQ-HNNXBMFYSA-N 2 2 367.465 3.665 20 0 FHADLP COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c2ccco2)cc1 ZINC000423171206 943425300 /nfs/dbraw/zinc/42/53/00/943425300.db2.gz ZRMXYUGJQRNLMT-YCRPNKLZSA-N 2 2 351.450 3.891 20 0 FHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000503941607 943427386 /nfs/dbraw/zinc/42/73/86/943427386.db2.gz KOMGNMNRBSYZMO-PEZBUJJGSA-N 2 2 370.459 3.887 20 0 FHADLP C/C(=C/c1ccccc1C(F)(F)F)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000503941607 943427388 /nfs/dbraw/zinc/42/73/88/943427388.db2.gz KOMGNMNRBSYZMO-PEZBUJJGSA-N 2 2 370.459 3.887 20 0 FHADLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(F)cc1OC(F)F ZINC000423187355 943434046 /nfs/dbraw/zinc/43/40/46/943434046.db2.gz MPKOJBVQIIAXGB-CYBMUJFWSA-N 2 2 353.388 3.653 20 0 FHADLP COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c2ccccc12 ZINC000423229006 943451917 /nfs/dbraw/zinc/45/19/17/943451917.db2.gz GJAQBVVHTRHIAE-INIZCTEOSA-N 2 2 362.477 3.826 20 0 FHADLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1OC(F)F ZINC000423231125 943452750 /nfs/dbraw/zinc/45/27/50/943452750.db2.gz KYBYZDVIGVWFTJ-MRXNPFEDSA-N 2 2 362.424 3.656 20 0 FHADLP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423248683 943458917 /nfs/dbraw/zinc/45/89/17/943458917.db2.gz RYJCDVCLRQMZSW-JXFKEZNVSA-N 2 2 354.498 3.911 20 0 FHADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423259523 943461949 /nfs/dbraw/zinc/46/19/49/943461949.db2.gz FEEQBXWVIYPSEU-QWRGUYRKSA-N 2 2 352.372 3.913 20 0 FHADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OC(F)F)cc1OC(F)F ZINC000423259521 943462560 /nfs/dbraw/zinc/46/25/60/943462560.db2.gz FEEQBXWVIYPSEU-GHMZBOCLSA-N 2 2 352.372 3.913 20 0 FHADLP Cc1c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cnn1-c1ccc(Cl)cc1Cl ZINC000423284854 943464113 /nfs/dbraw/zinc/46/41/13/943464113.db2.gz XGYYYAYXNWIIDT-HWPZZCPQSA-N 2 2 353.297 3.875 20 0 FHADLP C[C@H]([NH3+])c1ccc(C[NH2+][C@H](c2nccn2C)c2ccc(Cl)cc2)cc1 ZINC000423289239 943465624 /nfs/dbraw/zinc/46/56/24/943465624.db2.gz APIZWEKQXWKBSW-LIRRHRJNSA-N 2 2 354.885 3.972 20 0 FHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000423309999 943472545 /nfs/dbraw/zinc/47/25/45/943472545.db2.gz RAJLABMYMHRKLZ-KBPBESRZSA-N 2 2 358.511 3.647 20 0 FHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)cc1 ZINC000423309999 943472546 /nfs/dbraw/zinc/47/25/46/943472546.db2.gz RAJLABMYMHRKLZ-KBPBESRZSA-N 2 2 358.511 3.647 20 0 FHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000423310000 943472806 /nfs/dbraw/zinc/47/28/06/943472806.db2.gz RAJLABMYMHRKLZ-KGLIPLIRSA-N 2 2 358.511 3.647 20 0 FHADLP C[C@H]([NH3+])c1ccc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)cc1 ZINC000423310000 943472809 /nfs/dbraw/zinc/47/28/09/943472809.db2.gz RAJLABMYMHRKLZ-KGLIPLIRSA-N 2 2 358.511 3.647 20 0 FHADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423299366 943476090 /nfs/dbraw/zinc/47/60/90/943476090.db2.gz PXYJIOOWWKWZTK-NVXWUHKLSA-N 2 2 352.544 3.571 20 0 FHADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@H](OC)c2ccccc2)cc1 ZINC000423347240 943479248 /nfs/dbraw/zinc/47/92/48/943479248.db2.gz ZYEHZMYHKJTWRP-KPQYALRZSA-N 2 2 354.494 3.507 20 0 FHADLP COc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCC3)cc1 ZINC000423354273 943488456 /nfs/dbraw/zinc/48/84/56/943488456.db2.gz COUGUQNQYILIII-MZMPZRCHSA-N 2 2 357.523 3.784 20 0 FHADLP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000467312150 943492983 /nfs/dbraw/zinc/49/29/83/943492983.db2.gz AUKPVTIBDQHJON-FQEVSTJZSA-N 2 2 351.425 3.856 20 0 FHADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)c1ccc2c(c1)COC2 ZINC000423370689 943494310 /nfs/dbraw/zinc/49/43/10/943494310.db2.gz PQWPRSQXCYFMSZ-LTBCBRHQSA-N 2 2 358.432 3.791 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069554 943496744 /nfs/dbraw/zinc/49/67/44/943496744.db2.gz XRNUKCOSBLHLFT-UGSOOPFHSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C1CC1 ZINC000515069554 943496748 /nfs/dbraw/zinc/49/67/48/943496748.db2.gz XRNUKCOSBLHLFT-UGSOOPFHSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000515069554 943496752 /nfs/dbraw/zinc/49/67/52/943496752.db2.gz XRNUKCOSBLHLFT-UGSOOPFHSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000515069554 943496755 /nfs/dbraw/zinc/49/67/55/943496755.db2.gz XRNUKCOSBLHLFT-UGSOOPFHSA-N 2 2 356.432 3.686 20 0 FHADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423401974 943507752 /nfs/dbraw/zinc/50/77/52/943507752.db2.gz RCKRDWVVEQGIJG-HTAPYJJXSA-N 2 2 361.489 3.871 20 0 FHADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281448 943508084 /nfs/dbraw/zinc/50/80/84/943508084.db2.gz UUCVOCIODGNVCA-YOEHRIQHSA-N 2 2 352.404 3.601 20 0 FHADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc[nH]2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000894281448 943508086 /nfs/dbraw/zinc/50/80/86/943508086.db2.gz UUCVOCIODGNVCA-YOEHRIQHSA-N 2 2 352.404 3.601 20 0 FHADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000660189599 943516809 /nfs/dbraw/zinc/51/68/09/943516809.db2.gz OJKCWOAIFOXIBC-UYAOXDASSA-N 2 2 356.510 3.617 20 0 FHADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000660189599 943516814 /nfs/dbraw/zinc/51/68/14/943516814.db2.gz OJKCWOAIFOXIBC-UYAOXDASSA-N 2 2 356.510 3.617 20 0 FHADLP CC[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435625729 943526397 /nfs/dbraw/zinc/52/63/97/943526397.db2.gz IZIXGFZPZRTDCT-SFHVURJKSA-N 2 2 367.493 3.881 20 0 FHADLP CC[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435625729 943526400 /nfs/dbraw/zinc/52/64/00/943526400.db2.gz IZIXGFZPZRTDCT-SFHVURJKSA-N 2 2 367.493 3.881 20 0 FHADLP Fc1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2Cl)cc1 ZINC000423492948 943535882 /nfs/dbraw/zinc/53/58/82/943535882.db2.gz PCKMXHOWFKOFSQ-XLIONFOSSA-N 2 2 362.876 3.731 20 0 FHADLP Cc1ncsc1C[N@H+](CCOc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435729658 943572763 /nfs/dbraw/zinc/57/27/63/943572763.db2.gz BCXKOROLQYBZGW-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP Cc1ncsc1C[N@@H+](CCOc1ccccc1Cl)C[C@H]1CC[NH2+]C1 ZINC000435729658 943572765 /nfs/dbraw/zinc/57/27/65/943572765.db2.gz BCXKOROLQYBZGW-HNNXBMFYSA-N 2 2 365.930 3.595 20 0 FHADLP CC[N@H+](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1Cl ZINC000423979462 943669077 /nfs/dbraw/zinc/66/90/77/943669077.db2.gz XSELHPGXPISSRA-HXUWFJFHSA-N 2 2 373.928 3.758 20 0 FHADLP CC[N@@H+](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccccc1Cl ZINC000423979462 943669080 /nfs/dbraw/zinc/66/90/80/943669080.db2.gz XSELHPGXPISSRA-HXUWFJFHSA-N 2 2 373.928 3.758 20 0 FHADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647934507 943749628 /nfs/dbraw/zinc/74/96/28/943749628.db2.gz HNFPAEPGTOEDKV-CBGDNZLLSA-N 2 2 367.493 3.865 20 0 FHADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000647934507 943749633 /nfs/dbraw/zinc/74/96/33/943749633.db2.gz HNFPAEPGTOEDKV-CBGDNZLLSA-N 2 2 367.493 3.865 20 0 FHADLP c1cn2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C4(CC4)C3)nc2s1 ZINC000515351666 943802039 /nfs/dbraw/zinc/80/20/39/943802039.db2.gz PYZFJPQTEHBLSA-KRWDZBQOSA-N 2 2 352.507 3.683 20 0 FHADLP c1cn2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C4(CC4)C3)nc2s1 ZINC000515351666 943802044 /nfs/dbraw/zinc/80/20/44/943802044.db2.gz PYZFJPQTEHBLSA-KRWDZBQOSA-N 2 2 352.507 3.683 20 0 FHADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OC(F)F)cc1OC(F)F ZINC000424375147 943886346 /nfs/dbraw/zinc/88/63/46/943886346.db2.gz MJTGMGCLXDFOJV-OASPWFOLSA-N 2 2 350.356 3.810 20 0 FHADLP C[N@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1(C[NH3+])CCC1 ZINC000414785975 943903997 /nfs/dbraw/zinc/90/39/97/943903997.db2.gz KJMSTUFJYSPKMH-UHFFFAOYSA-N 2 2 357.885 3.906 20 0 FHADLP C[N@@H+](Cc1cccc(NC(=O)c2ccccc2Cl)c1)C1(C[NH3+])CCC1 ZINC000414785975 943904005 /nfs/dbraw/zinc/90/40/05/943904005.db2.gz KJMSTUFJYSPKMH-UHFFFAOYSA-N 2 2 357.885 3.906 20 0 FHADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000517262975 944142278 /nfs/dbraw/zinc/14/22/78/944142278.db2.gz OYLGOMJLPLGZAY-UHFFFAOYSA-N 2 2 369.225 3.731 20 0 FHADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000517262975 944142283 /nfs/dbraw/zinc/14/22/83/944142283.db2.gz OYLGOMJLPLGZAY-UHFFFAOYSA-N 2 2 369.225 3.731 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C2 ZINC000437866280 944183484 /nfs/dbraw/zinc/18/34/84/944183484.db2.gz GYZONDZZMQOGAM-WMZOPIPTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C2 ZINC000437866280 944183489 /nfs/dbraw/zinc/18/34/89/944183489.db2.gz GYZONDZZMQOGAM-WMZOPIPTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)CC2 ZINC000437866280 944183492 /nfs/dbraw/zinc/18/34/92/944183492.db2.gz GYZONDZZMQOGAM-WMZOPIPTSA-N 2 2 372.557 3.551 20 0 FHADLP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000437866280 944183497 /nfs/dbraw/zinc/18/34/97/944183497.db2.gz GYZONDZZMQOGAM-WMZOPIPTSA-N 2 2 372.557 3.551 20 0 FHADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439024558 944262663 /nfs/dbraw/zinc/26/26/63/944262663.db2.gz UHUQKIJDTXVFEG-MRXNPFEDSA-N 2 2 369.513 3.738 20 0 FHADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1-c1[nH+]cc2n1CCCC2 ZINC000439024558 944262673 /nfs/dbraw/zinc/26/26/73/944262673.db2.gz UHUQKIJDTXVFEG-MRXNPFEDSA-N 2 2 369.513 3.738 20 0 FHADLP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000414977298 944283924 /nfs/dbraw/zinc/28/39/24/944283924.db2.gz JNQJPZZTHKFDKS-HNNXBMFYSA-N 2 2 365.319 3.585 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473328 944294795 /nfs/dbraw/zinc/29/47/95/944294795.db2.gz XZMKPAUGGFPTAJ-URVUXULASA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506473328 944294804 /nfs/dbraw/zinc/29/48/04/944294804.db2.gz XZMKPAUGGFPTAJ-URVUXULASA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506473328 944294814 /nfs/dbraw/zinc/29/48/14/944294814.db2.gz XZMKPAUGGFPTAJ-URVUXULASA-N 2 2 371.569 3.620 20 0 FHADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473328 944294824 /nfs/dbraw/zinc/29/48/24/944294824.db2.gz XZMKPAUGGFPTAJ-URVUXULASA-N 2 2 371.569 3.620 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321909 /nfs/dbraw/zinc/32/19/09/944321909.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321916 /nfs/dbraw/zinc/32/19/16/944321916.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321920 /nfs/dbraw/zinc/32/19/20/944321920.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 2 351.579 3.607 20 0 FHADLP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506483935 944321926 /nfs/dbraw/zinc/32/19/26/944321926.db2.gz CXCDAOSXDLZCNV-VAMGGRTRSA-N 2 2 351.579 3.607 20 0 FHADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835685 944334404 /nfs/dbraw/zinc/33/44/04/944334404.db2.gz GCUVJKMEOOODET-JOCHJYFZSA-N 3 2 366.553 3.814 20 0 FHADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835685 944334413 /nfs/dbraw/zinc/33/44/13/944334413.db2.gz GCUVJKMEOOODET-JOCHJYFZSA-N 3 2 366.553 3.814 20 0 FHADLP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000101665773 944337707 /nfs/dbraw/zinc/33/77/07/944337707.db2.gz LWLNZBNYQMZGFO-UHFFFAOYSA-N 2 2 354.841 3.840 20 0 FHADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000438102372 944342221 /nfs/dbraw/zinc/34/22/21/944342221.db2.gz VSUOLRYLTDCHGK-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000438102372 944342231 /nfs/dbraw/zinc/34/22/31/944342231.db2.gz VSUOLRYLTDCHGK-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000438102372 944342240 /nfs/dbraw/zinc/34/22/40/944342240.db2.gz VSUOLRYLTDCHGK-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000438102372 944342250 /nfs/dbraw/zinc/34/22/50/944342250.db2.gz VSUOLRYLTDCHGK-JOCHJYFZSA-N 2 2 351.494 3.578 20 0 FHADLP CC1(c2ccccc2)CC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000436468795 944348708 /nfs/dbraw/zinc/34/87/08/944348708.db2.gz MAXXVBHGCRQSJX-UHFFFAOYSA-N 2 2 350.506 3.729 20 0 FHADLP C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCCC[NH2+]1 ZINC000517553695 944386844 /nfs/dbraw/zinc/38/68/44/944386844.db2.gz JRWDVQBWJQCJPB-UTKZUKDTSA-N 2 2 361.493 3.555 20 0 FHADLP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000506500020 944391930 /nfs/dbraw/zinc/39/19/30/944391930.db2.gz PXQCXIFJNANSDJ-JOCHJYFZSA-N 2 2 360.505 3.887 20 0 FHADLP Cc1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000506500020 944391935 /nfs/dbraw/zinc/39/19/35/944391935.db2.gz PXQCXIFJNANSDJ-JOCHJYFZSA-N 2 2 360.505 3.887 20 0 FHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000516002408 944405975 /nfs/dbraw/zinc/40/59/75/944405975.db2.gz BMFFGYFSHFHFBD-UHFFFAOYSA-N 2 2 366.509 3.601 20 0 FHADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000516002408 944405979 /nfs/dbraw/zinc/40/59/79/944405979.db2.gz BMFFGYFSHFHFBD-UHFFFAOYSA-N 2 2 366.509 3.601 20 0 FHADLP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000364346215 944413202 /nfs/dbraw/zinc/41/32/02/944413202.db2.gz HPZRQSSJQOKOHQ-SFHVURJKSA-N 2 2 363.864 3.508 20 0 FHADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CCN(c2cccc[nH+]2)CC1 ZINC000364346215 944413207 /nfs/dbraw/zinc/41/32/07/944413207.db2.gz HPZRQSSJQOKOHQ-SFHVURJKSA-N 2 2 363.864 3.508 20 0 FHADLP CSc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390545269 944429300 /nfs/dbraw/zinc/42/93/00/944429300.db2.gz IHORBNSFGSHAOL-FQEVSTJZSA-N 2 2 356.535 3.789 20 0 FHADLP CSc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000390545269 944429304 /nfs/dbraw/zinc/42/93/04/944429304.db2.gz IHORBNSFGSHAOL-FQEVSTJZSA-N 2 2 356.535 3.789 20 0 FHADLP Clc1ccc2nc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cn2c1 ZINC000500297957 944444741 /nfs/dbraw/zinc/44/47/41/944444741.db2.gz OXKFJUAYTNBJIK-UHFFFAOYSA-N 2 2 351.841 3.522 20 0 FHADLP C1=CC[C@H](C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)CC1 ZINC001167982040 944493682 /nfs/dbraw/zinc/49/36/82/944493682.db2.gz UHIQDNKQFRKIJK-FNXHNPQUSA-N 3 2 357.586 3.802 20 0 FHADLP C1=CC[C@H](C[NH+]2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)CC2)CC1 ZINC001167982040 944493687 /nfs/dbraw/zinc/49/36/87/944493687.db2.gz UHIQDNKQFRKIJK-FNXHNPQUSA-N 3 2 357.586 3.802 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1C ZINC000638502854 944507379 /nfs/dbraw/zinc/50/73/79/944507379.db2.gz DPPUEBWDXXVHJJ-KNQAVFIVSA-N 2 2 352.526 3.978 20 0 FHADLP CCn1nc(C)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1C ZINC000638502854 944507385 /nfs/dbraw/zinc/50/73/85/944507385.db2.gz DPPUEBWDXXVHJJ-KNQAVFIVSA-N 2 2 352.526 3.978 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592522 944534392 /nfs/dbraw/zinc/53/43/92/944534392.db2.gz SDINKUVBTVKGII-YLJYHZDGSA-N 2 2 352.478 3.773 20 0 FHADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000390592522 944534396 /nfs/dbraw/zinc/53/43/96/944534396.db2.gz SDINKUVBTVKGII-YLJYHZDGSA-N 2 2 352.478 3.773 20 0 FHADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ocnc2C)cc1 ZINC000894759898 944547486 /nfs/dbraw/zinc/54/74/86/944547486.db2.gz BINNTAJRDYHGPV-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ocnc2C)cc1 ZINC000894759898 944547492 /nfs/dbraw/zinc/54/74/92/944547492.db2.gz BINNTAJRDYHGPV-UHFFFAOYSA-N 2 2 354.454 3.671 20 0 FHADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCc4ccccc43)C2)cc1 ZINC000390612098 944567774 /nfs/dbraw/zinc/56/77/74/944567774.db2.gz XBLAOYQKQJQGEY-FYYLOGMGSA-N 2 2 350.506 3.945 20 0 FHADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCc4ccccc43)C2)cc1 ZINC000390612098 944567779 /nfs/dbraw/zinc/56/77/79/944567779.db2.gz XBLAOYQKQJQGEY-FYYLOGMGSA-N 2 2 350.506 3.945 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)cc1 ZINC000516188935 944578053 /nfs/dbraw/zinc/57/80/53/944578053.db2.gz AZESAZUANIMDMT-QGZVFWFLSA-N 2 2 372.476 3.921 20 0 FHADLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccccc1 ZINC000608073092 944643985 /nfs/dbraw/zinc/64/39/85/944643985.db2.gz NGYYAVLHGRSPTO-NRFANRHFSA-N 2 2 357.461 3.679 20 0 FHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390681492 944710382 /nfs/dbraw/zinc/71/03/82/944710382.db2.gz VZAWMRGIEJBLTD-REWPJTCUSA-N 2 2 352.522 3.888 20 0 FHADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390681492 944710385 /nfs/dbraw/zinc/71/03/85/944710385.db2.gz VZAWMRGIEJBLTD-REWPJTCUSA-N 2 2 352.522 3.888 20 0 FHADLP c1cn(-c2ccc(CN3CCC[N@@H+](CC4CCCCC4)CC3)cc2)c[nH+]1 ZINC000506913892 944738963 /nfs/dbraw/zinc/73/89/63/944738963.db2.gz VARCEKSRCSHGEM-UHFFFAOYSA-N 2 2 352.526 3.960 20 0 FHADLP c1cn(-c2ccc(CN3CCC[N@H+](CC4CCCCC4)CC3)cc2)c[nH+]1 ZINC000506913892 944738966 /nfs/dbraw/zinc/73/89/66/944738966.db2.gz VARCEKSRCSHGEM-UHFFFAOYSA-N 2 2 352.526 3.960 20 0 FHADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2)c[nH+]1 ZINC000516348308 944754686 /nfs/dbraw/zinc/75/46/86/944754686.db2.gz SGTKIQBQGSYOPD-BHDDXSALSA-N 2 2 373.504 3.649 20 0 FHADLP c1cn(Cc2ccc(N[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2)c[nH+]1 ZINC000516348308 944754696 /nfs/dbraw/zinc/75/46/96/944754696.db2.gz SGTKIQBQGSYOPD-BHDDXSALSA-N 2 2 373.504 3.649 20 0 FHADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441673 944863835 /nfs/dbraw/zinc/86/38/35/944863835.db2.gz ACCLMNPLEAAIBJ-FPOVZHCZSA-N 2 2 352.526 3.763 20 0 FHADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000516441673 944863842 /nfs/dbraw/zinc/86/38/42/944863842.db2.gz ACCLMNPLEAAIBJ-FPOVZHCZSA-N 2 2 352.526 3.763 20 0 FHADLP FC(F)(F)C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccccc1 ZINC000425893302 944985232 /nfs/dbraw/zinc/98/52/32/944985232.db2.gz DAXJRKLVUBZFOC-QGZVFWFLSA-N 2 2 353.388 3.925 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000437142526 945062615 /nfs/dbraw/zinc/06/26/15/945062615.db2.gz GSEHDRBBPWJHOQ-PZJWPPBQSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1 ZINC000437142526 945062624 /nfs/dbraw/zinc/06/26/24/945062624.db2.gz GSEHDRBBPWJHOQ-PZJWPPBQSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000437142526 945062636 /nfs/dbraw/zinc/06/26/36/945062636.db2.gz GSEHDRBBPWJHOQ-PZJWPPBQSA-N 2 2 350.510 3.766 20 0 FHADLP CN(c1ccccc1)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1 ZINC000437142526 945062647 /nfs/dbraw/zinc/06/26/47/945062647.db2.gz GSEHDRBBPWJHOQ-PZJWPPBQSA-N 2 2 350.510 3.766 20 0 FHADLP c1[nH+]cn(Cc2ccccc2)c1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675686 945383202 /nfs/dbraw/zinc/38/32/02/945383202.db2.gz KKKDEDRVDQGCDN-UHFFFAOYSA-N 2 2 360.505 3.686 20 0 FHADLP CC(C)C[C@H]([NH3+])C[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113277 945668284 /nfs/dbraw/zinc/66/82/84/945668284.db2.gz DWWOOYCZCQVXAY-KRWDZBQOSA-N 2 2 358.357 3.921 20 0 FHADLP CC(C)C[C@H]([NH3+])CNC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000415113277 945668302 /nfs/dbraw/zinc/66/83/02/945668302.db2.gz DWWOOYCZCQVXAY-KRWDZBQOSA-N 2 2 358.357 3.921 20 0 FHADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712451 945688800 /nfs/dbraw/zinc/68/88/00/945688800.db2.gz NWQJTLXRQSBTSF-WMLDXEAASA-N 2 2 364.559 3.611 20 0 FHADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]([NH3+])CC3CCCCC3)n2)C1 ZINC000519712451 945688806 /nfs/dbraw/zinc/68/88/06/945688806.db2.gz NWQJTLXRQSBTSF-WMLDXEAASA-N 2 2 364.559 3.611 20 0 FHADLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000443987890 945693990 /nfs/dbraw/zinc/69/39/90/945693990.db2.gz NJHKODHDCIQLQG-UHFFFAOYSA-N 2 2 369.509 3.633 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894479852 945757567 /nfs/dbraw/zinc/75/75/67/945757567.db2.gz TXHZRSOOPITVHB-UHFFFAOYSA-N 2 2 360.449 3.919 20 0 FHADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000894479852 945757570 /nfs/dbraw/zinc/75/75/70/945757570.db2.gz TXHZRSOOPITVHB-UHFFFAOYSA-N 2 2 360.449 3.919 20 0 FHADLP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301673542 945907831 /nfs/dbraw/zinc/90/78/31/945907831.db2.gz OSSSQKVPHWOOPI-KRWDZBQOSA-N 2 2 367.493 3.703 20 0 FHADLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786105 945916305 /nfs/dbraw/zinc/91/63/05/945916305.db2.gz KYRAQJLKQXNUNR-MOPGFXCFSA-N 2 2 353.510 3.900 20 0 FHADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(-c2ccccc2)cn1 ZINC000651786105 945916308 /nfs/dbraw/zinc/91/63/08/945916308.db2.gz KYRAQJLKQXNUNR-MOPGFXCFSA-N 2 2 353.510 3.900 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000301707581 945925317 /nfs/dbraw/zinc/92/53/17/945925317.db2.gz JBIHKGZIUWVUEG-OXJNMPFZSA-N 2 2 367.493 3.640 20 0 FHADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301707581 945925322 /nfs/dbraw/zinc/92/53/22/945925322.db2.gz JBIHKGZIUWVUEG-OXJNMPFZSA-N 2 2 367.493 3.640 20 0 FHADLP c1cc(-c2noc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cs1 ZINC000281924915 945940328 /nfs/dbraw/zinc/94/03/28/945940328.db2.gz CYNJGLPNPNONIL-CQSZACIVSA-N 2 2 369.494 3.711 20 0 FHADLP c1cc(-c2noc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2)cs1 ZINC000281924915 945940337 /nfs/dbraw/zinc/94/03/37/945940337.db2.gz CYNJGLPNPNONIL-CQSZACIVSA-N 2 2 369.494 3.711 20 0 FHADLP Nc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH+]c2ccccc12 ZINC000301887296 946020890 /nfs/dbraw/zinc/02/08/90/946020890.db2.gz KPZYQRUFUDWWAJ-AYHJJNSGSA-N 2 2 359.477 3.820 20 0 FHADLP Nc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH+]c2ccccc12 ZINC000301887296 946020899 /nfs/dbraw/zinc/02/08/99/946020899.db2.gz KPZYQRUFUDWWAJ-AYHJJNSGSA-N 2 2 359.477 3.820 20 0 FHADLP C[NH+]1CCN(c2ncccc2CNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000520025328 946037209 /nfs/dbraw/zinc/03/72/09/946037209.db2.gz RNYLJVUCYWXSKG-UHFFFAOYSA-N 2 2 367.884 3.647 20 0 FHADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453287 946122727 /nfs/dbraw/zinc/12/27/27/946122727.db2.gz BNGWLOWSWTWTNM-BBTUJRGHSA-N 2 2 356.510 3.790 20 0 FHADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(O[C@@H](C)c2ccccc2)cc1 ZINC000661453287 946122735 /nfs/dbraw/zinc/12/27/35/946122735.db2.gz BNGWLOWSWTWTNM-BBTUJRGHSA-N 2 2 356.510 3.790 20 0 FHADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302723001 946296264 /nfs/dbraw/zinc/29/62/64/946296264.db2.gz ILWHYMDPXAATDR-CZUORRHYSA-N 2 2 360.299 3.918 20 0 FHADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]c3c(Br)cccc23)C1 ZINC000302723001 946296273 /nfs/dbraw/zinc/29/62/73/946296273.db2.gz ILWHYMDPXAATDR-CZUORRHYSA-N 2 2 360.299 3.918 20 0 FHADLP COc1ccc(Br)cc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131942 946465904 /nfs/dbraw/zinc/46/59/04/946465904.db2.gz UDSYEEZJQQAPDD-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP COc1ccc(Br)cc1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000475131942 946465913 /nfs/dbraw/zinc/46/59/13/946465913.db2.gz UDSYEEZJQQAPDD-UHFFFAOYSA-N 2 2 353.304 3.518 20 0 FHADLP CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441381755 946537027 /nfs/dbraw/zinc/53/70/27/946537027.db2.gz RAOGJZYKCRDESW-IEBWSBKVSA-N 2 2 356.514 3.524 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402456 946558305 /nfs/dbraw/zinc/55/83/05/946558305.db2.gz HSDWMXWDEPLBGY-ZVDOUQERSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000441402456 946558316 /nfs/dbraw/zinc/55/83/16/946558316.db2.gz HSDWMXWDEPLBGY-ZVDOUQERSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000441402456 946558323 /nfs/dbraw/zinc/55/83/23/946558323.db2.gz HSDWMXWDEPLBGY-ZVDOUQERSA-N 2 2 369.553 3.888 20 0 FHADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000441402456 946558333 /nfs/dbraw/zinc/55/83/33/946558333.db2.gz HSDWMXWDEPLBGY-ZVDOUQERSA-N 2 2 369.553 3.888 20 0 FHADLP C[C@@H]1CC(n2c[nH+]cc2C2CC[NH2+]CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168058072 946595735 /nfs/dbraw/zinc/59/57/35/946595735.db2.gz AVBDVVYCJPAPCI-QZTJIDSGSA-N 3 2 352.526 3.964 20 0 FHADLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1Br ZINC000475573005 946703593 /nfs/dbraw/zinc/70/35/93/946703593.db2.gz QYGQJZQHGLFFNV-UHFFFAOYSA-N 2 2 353.304 3.564 20 0 FHADLP Cc1cc(C[NH+](C)C)ccc1NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000909599354 946742183 /nfs/dbraw/zinc/74/21/83/946742183.db2.gz CFAUQAYLLZDNLH-IBGZPJMESA-N 2 2 362.477 3.940 20 0 FHADLP O=C(CCn1cc[nH+]c1)Nc1ccc(C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000894984508 946819891 /nfs/dbraw/zinc/81/98/91/946819891.db2.gz JSZCDNFYKCZTDN-UHFFFAOYSA-N 2 2 366.387 3.527 20 0 FHADLP c1ccc(C[NH+]2CCC(Nc3cc(N4CCCCC4)[nH+]cn3)CC2)cc1 ZINC000110111281 946852416 /nfs/dbraw/zinc/85/24/16/946852416.db2.gz PBGFEUBUUGRKQT-UHFFFAOYSA-N 2 2 351.498 3.543 20 0 FHADLP c1ccc(C[NH+]2CCC(Nc3cc(N4CCCCC4)nc[nH+]3)CC2)cc1 ZINC000110111281 946852428 /nfs/dbraw/zinc/85/24/28/946852428.db2.gz PBGFEUBUUGRKQT-UHFFFAOYSA-N 2 2 351.498 3.543 20 0 FHADLP c1nc(C2CCC2)sc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328061 946888695 /nfs/dbraw/zinc/88/86/95/946888695.db2.gz AAFMBTHGLIMMRL-KDURUIRLSA-N 2 2 353.535 3.974 20 0 FHADLP c1nc(C2CCC2)sc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475328061 946888701 /nfs/dbraw/zinc/88/87/01/946888701.db2.gz AAFMBTHGLIMMRL-KDURUIRLSA-N 2 2 353.535 3.974 20 0 FHADLP c1nc(C2CCC2)sc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328061 946888710 /nfs/dbraw/zinc/88/87/10/946888710.db2.gz AAFMBTHGLIMMRL-KDURUIRLSA-N 2 2 353.535 3.974 20 0 FHADLP c1nc(C2CCC2)sc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475328061 946888721 /nfs/dbraw/zinc/88/87/21/946888721.db2.gz AAFMBTHGLIMMRL-KDURUIRLSA-N 2 2 353.535 3.974 20 0 FHADLP Cc1[nH+]cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1-c1ccccc1 ZINC000475338405 946907662 /nfs/dbraw/zinc/90/76/62/946907662.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1[nH+]cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1-c1ccccc1 ZINC000475338405 946907668 /nfs/dbraw/zinc/90/76/68/946907668.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1-c1ccccc1 ZINC000475338405 946907670 /nfs/dbraw/zinc/90/76/70/946907670.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1-c1ccccc1 ZINC000475338405 946907674 /nfs/dbraw/zinc/90/76/74/946907674.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1-c1ccccc1 ZINC000475338405 946907675 /nfs/dbraw/zinc/90/76/75/946907675.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP Cc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1-c1ccccc1 ZINC000475338405 946907678 /nfs/dbraw/zinc/90/76/78/946907678.db2.gz NSFPKBKDUIFWPK-SZPZYZBQSA-N 2 2 372.516 3.745 20 0 FHADLP CC(C)n1ccc(C[C@H](C)[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000475350547 946921874 /nfs/dbraw/zinc/92/18/74/946921874.db2.gz PVRVDVYIOCUWLX-NNGSBXSVSA-N 2 2 372.479 3.790 20 0 FHADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249087 946950623 /nfs/dbraw/zinc/95/06/23/946950623.db2.gz BTOACUWRBMELIR-LSDHHAIUSA-N 2 2 361.288 3.600 20 0 FHADLP CCC(CC)(CC)[NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428369537 947009227 /nfs/dbraw/zinc/00/92/27/947009227.db2.gz JITXMOFCHXQTBW-UHFFFAOYSA-N 2 2 366.575 3.872 20 0 FHADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)s1 ZINC000511937978 947056266 /nfs/dbraw/zinc/05/62/66/947056266.db2.gz BBXXQNVSATZBKF-WBVHZDCISA-N 2 2 369.893 3.617 20 0 FHADLP Clc1ccc2nc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000192925780 947107282 /nfs/dbraw/zinc/10/72/82/947107282.db2.gz PCDMOYZKAOKMKH-QGZVFWFLSA-N 2 2 354.885 3.599 20 0 FHADLP Clc1ccc2nc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cn2c1 ZINC000192925780 947107290 /nfs/dbraw/zinc/10/72/90/947107290.db2.gz PCDMOYZKAOKMKH-QGZVFWFLSA-N 2 2 354.885 3.599 20 0 FHADLP C[C@H]([C@H](C)Nc1cc[nH+]c2ccc(Br)cc12)[NH+]1CCOCC1 ZINC000301185863 947221559 /nfs/dbraw/zinc/22/15/59/947221559.db2.gz JSBJZDBRPYGRHJ-QWHCGFSZSA-N 2 2 364.287 3.518 20 0 FHADLP Fc1ccc2c(NCc3ccc(C[NH+]4CCOCC4)cc3)cc[nH+]c2c1 ZINC000301234957 947244315 /nfs/dbraw/zinc/24/43/15/947244315.db2.gz COZASDDFOZASCY-UHFFFAOYSA-N 2 2 351.425 3.818 20 0 FHADLP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000475618271 947378700 /nfs/dbraw/zinc/37/87/00/947378700.db2.gz AUKSOJHCUKEQSS-UHFFFAOYSA-N 2 2 366.490 3.536 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199481 947504141 /nfs/dbraw/zinc/50/41/41/947504141.db2.gz XWCHFSVAKSSYDA-UHFFFAOYSA-N 2 2 364.287 3.629 20 0 FHADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000662199481 947504148 /nfs/dbraw/zinc/50/41/48/947504148.db2.gz XWCHFSVAKSSYDA-UHFFFAOYSA-N 2 2 364.287 3.629 20 0 FHADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3F)c2)CCO1 ZINC000189281381 947669779 /nfs/dbraw/zinc/66/97/79/947669779.db2.gz LFWFPINTHKLCQS-OAHLLOKOSA-N 2 2 362.876 3.990 20 0 FHADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3F)c2)CCO1 ZINC000189281381 947669786 /nfs/dbraw/zinc/66/97/86/947669786.db2.gz LFWFPINTHKLCQS-OAHLLOKOSA-N 2 2 362.876 3.990 20 0 FHADLP COc1ccccc1-c1ccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC000662257625 947676710 /nfs/dbraw/zinc/67/67/10/947676710.db2.gz UEFNLYGAVOIAAN-HXUWFJFHSA-N 2 2 354.494 3.561 20 0 FHADLP COc1ccccc1-c1ccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C(C)C)cc1 ZINC000662257625 947676711 /nfs/dbraw/zinc/67/67/11/947676711.db2.gz UEFNLYGAVOIAAN-HXUWFJFHSA-N 2 2 354.494 3.561 20 0 FHADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000189265226 947683186 /nfs/dbraw/zinc/68/31/86/947683186.db2.gz LIYVJLAENWKOBI-UHFFFAOYSA-N 2 2 361.892 3.516 20 0 FHADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000189265226 947683195 /nfs/dbraw/zinc/68/31/95/947683195.db2.gz LIYVJLAENWKOBI-UHFFFAOYSA-N 2 2 361.892 3.516 20 0 FHADLP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807844 /nfs/dbraw/zinc/80/78/44/947807844.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCC[NH+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807860 /nfs/dbraw/zinc/80/78/60/947807860.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807868 /nfs/dbraw/zinc/80/78/68/947807868.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 3 2 367.581 3.895 20 0 FHADLP c1ccc(C[NH+]2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000663344049 947807881 /nfs/dbraw/zinc/80/78/81/947807881.db2.gz MZDBCLPOUPWPIM-GOTSBHOMSA-N 3 2 367.581 3.895 20 0 FHADLP C[C@H]([NH2+]C(C)(C)C[NH2+]CCC(=O)N(C)c1ccccc1)c1ccccc1 ZINC000663359886 947847775 /nfs/dbraw/zinc/84/77/75/947847775.db2.gz KHZSMORRISNFHB-SFHVURJKSA-N 2 2 353.510 3.759 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663469865 948064319 /nfs/dbraw/zinc/06/43/19/948064319.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663469865 948064325 /nfs/dbraw/zinc/06/43/25/948064325.db2.gz RGKCXVAMOGKZIR-PXNSSMCTSA-N 3 2 352.526 3.953 20 0 FHADLP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000432353632 948199786 /nfs/dbraw/zinc/19/97/86/948199786.db2.gz OALVDUMOIIARHN-UHFFFAOYSA-N 2 2 367.522 3.735 20 0 FHADLP CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512023271 948212195 /nfs/dbraw/zinc/21/21/95/948212195.db2.gz JJAKBXVSVTWKGJ-SJCJKPOMSA-N 2 2 353.919 3.724 20 0 FHADLP O=C(CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1)NC1CCCC1 ZINC000585749059 948260916 /nfs/dbraw/zinc/26/09/16/948260916.db2.gz IPDHSDAXBKQJKE-UHFFFAOYSA-N 2 2 366.509 3.533 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168004831 948410370 /nfs/dbraw/zinc/41/03/70/948410370.db2.gz AFKDNQFVVRGGDA-WOSNLTMFSA-N 2 2 356.485 3.890 20 0 FHADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004831 948410375 /nfs/dbraw/zinc/41/03/75/948410375.db2.gz AFKDNQFVVRGGDA-WOSNLTMFSA-N 2 2 356.485 3.890 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000512099244 948420915 /nfs/dbraw/zinc/42/09/15/948420915.db2.gz LGVYZAZAHDKFOK-MRXNPFEDSA-N 2 2 360.523 3.767 20 0 FHADLP COc1cccc(OC)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000512099244 948420917 /nfs/dbraw/zinc/42/09/17/948420917.db2.gz LGVYZAZAHDKFOK-MRXNPFEDSA-N 2 2 360.523 3.767 20 0 FHADLP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000037976751 948457066 /nfs/dbraw/zinc/45/70/66/948457066.db2.gz JNZHSCXBUMIFHT-UHFFFAOYSA-N 2 2 355.320 3.812 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000512164657 948603989 /nfs/dbraw/zinc/60/39/89/948603989.db2.gz DBTAIWAKIRDKRJ-LJQANCHMSA-N 2 2 370.516 3.955 20 0 FHADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C2)CC1 ZINC000512164657 948603990 /nfs/dbraw/zinc/60/39/90/948603990.db2.gz DBTAIWAKIRDKRJ-LJQANCHMSA-N 2 2 370.516 3.955 20 0 FHADLP CCO[P@](C)(=O)CC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895114244 948720236 /nfs/dbraw/zinc/72/02/36/948720236.db2.gz JMTPBIYHPHRGAW-AKVMLJAXSA-N 2 2 353.447 3.881 20 0 FHADLP [NH3+][C@H]1CC[C@H](N(Cc2ccc(O[C@@H]3CCOC3)cc2)c2cccc[nH+]2)CC1 ZINC000895115256 948722464 /nfs/dbraw/zinc/72/24/64/948722464.db2.gz NNLATRLOKHRDRU-SFHLNBCPSA-N 2 2 367.493 3.526 20 0 FHADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000065154855 221173507 /nfs/dbraw/zinc/17/35/07/221173507.db2.gz RSEOHNXOMLURRK-UHFFFAOYSA-N 2 2 352.526 3.939 20 0 FHADLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000359901822 534382015 /nfs/dbraw/zinc/38/20/15/534382015.db2.gz SAFZPYXREXVLLV-UHFFFAOYSA-N 2 2 352.404 3.583 20 0 FHADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)CCO1 ZINC000275351986 527512799 /nfs/dbraw/zinc/51/27/99/527512799.db2.gz ACEJMTIXPJDNHO-LAUBAEHRSA-N 2 2 355.482 3.751 20 0 FHADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C3CC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328654124 529046633 /nfs/dbraw/zinc/04/66/33/529046633.db2.gz XFQBYWHVHQSBIS-QFBILLFUSA-N 2 2 373.570 3.659 20 0 FHADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(C3CC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328654124 529046639 /nfs/dbraw/zinc/04/66/39/529046639.db2.gz XFQBYWHVHQSBIS-QFBILLFUSA-N 2 2 373.570 3.659 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc(C3CC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328654124 529046643 /nfs/dbraw/zinc/04/66/43/529046643.db2.gz XFQBYWHVHQSBIS-QFBILLFUSA-N 2 2 373.570 3.659 20 0 FHADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc(C3CC3)s2)[C@@H]1c1cnn(C)c1 ZINC000328654124 529046648 /nfs/dbraw/zinc/04/66/48/529046648.db2.gz XFQBYWHVHQSBIS-QFBILLFUSA-N 2 2 373.570 3.659 20 0 FHADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000390853519 568349659 /nfs/dbraw/zinc/34/96/59/568349659.db2.gz AKFGXLHHZJDWOF-FQEVSTJZSA-N 2 2 369.484 3.655 20 0 FHADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000390853519 568349660 /nfs/dbraw/zinc/34/96/60/568349660.db2.gz AKFGXLHHZJDWOF-FQEVSTJZSA-N 2 2 369.484 3.655 20 0 FHADLP