smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H](C(=O)NCCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000219326974 241378720 /nfs/dbraw/zinc/37/87/20/241378720.db2.gz YLQPEMSTSXVIQW-IBGZPJMESA-N 2 1 349.494 3.201 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356688 203383352 /nfs/dbraw/zinc/38/33/52/203383352.db2.gz ZQRNGPYYWPQDPQ-SFHVURJKSA-N 2 1 341.455 3.408 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356688 203383354 /nfs/dbraw/zinc/38/33/54/203383354.db2.gz ZQRNGPYYWPQDPQ-SFHVURJKSA-N 2 1 341.455 3.408 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2ncccc2Cl)CC1 ZINC000095365648 454197156 /nfs/dbraw/zinc/19/71/56/454197156.db2.gz FJYDEEWNBZTPOI-UHFFFAOYSA-N 2 1 347.894 3.267 50 0 EGAAMP C[N@@H+](CC1CC[NH+](CCc2cccc(F)c2)CC1)C1CCOCC1 ZINC000011714248 1291128536 /nfs/dbraw/zinc/12/85/36/1291128536.db2.gz MEPGQILWNPTWQB-UHFFFAOYSA-N 2 1 334.479 3.191 50 0 EGAAMP Cc1[nH+]cn(CC[NH2+]Cc2cnn(-c3ccccc3Cl)c2)c1C ZINC000952867425 1334583089 /nfs/dbraw/zinc/58/30/89/1334583089.db2.gz NCIMHUHJOMEEQI-UHFFFAOYSA-N 2 1 329.835 3.129 50 0 EGAAMP C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000952991844 1334632019 /nfs/dbraw/zinc/63/20/19/1334632019.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 2 1 347.890 3.024 50 0 EGAAMP C[N@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000952991844 1334632022 /nfs/dbraw/zinc/63/20/22/1334632022.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 2 1 347.890 3.024 50 0 EGAAMP C[NH+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000952991844 1334632026 /nfs/dbraw/zinc/63/20/26/1334632026.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 2 1 347.890 3.024 50 0 EGAAMP C[NH+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000952991844 1334632029 /nfs/dbraw/zinc/63/20/29/1334632029.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 2 1 347.890 3.024 50 0 EGAAMP Cc1ccc2c(C)cc(N[C@H]3COC4(C3)CC[NH2+]CC4)[nH+]c2c1C ZINC001704326434 1416444732 /nfs/dbraw/zinc/44/47/32/1416444732.db2.gz WSUJBKDRBVSGHZ-MRXNPFEDSA-N 2 1 325.456 3.483 50 0 EGAAMP COc1cccc(OC)c1C[N@@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704352887 1416453411 /nfs/dbraw/zinc/45/34/11/1416453411.db2.gz LXXVKPDMZDMRIF-WNKDZCFJSA-N 2 1 332.488 3.254 50 0 EGAAMP CCSc1ncc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000216506957 241199423 /nfs/dbraw/zinc/19/94/23/241199423.db2.gz BEBFMMLAXALFKC-UHFFFAOYSA-N 2 1 343.500 3.004 50 0 EGAAMP CCSc1ncc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000216506957 241199428 /nfs/dbraw/zinc/19/94/28/241199428.db2.gz BEBFMMLAXALFKC-UHFFFAOYSA-N 2 1 343.500 3.004 50 0 EGAAMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072144124 203170335 /nfs/dbraw/zinc/17/03/35/203170335.db2.gz DKSKYQYEPARVBR-UHFFFAOYSA-N 2 1 347.894 3.052 50 0 EGAAMP CCc1nn(C)c(Cl)c1C[N@H+]1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000072144124 203170339 /nfs/dbraw/zinc/17/03/39/203170339.db2.gz DKSKYQYEPARVBR-UHFFFAOYSA-N 2 1 347.894 3.052 50 0 EGAAMP CC(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012701720 453392879 /nfs/dbraw/zinc/39/28/79/453392879.db2.gz SVIJTTUWHFSSCW-GOSISDBHSA-N 2 1 337.552 3.076 50 0 EGAAMP CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000095379552 454200389 /nfs/dbraw/zinc/20/03/89/454200389.db2.gz ABXBVHLWHBLOCR-MRXNPFEDSA-N 2 1 332.492 3.044 50 0 EGAAMP COc1cc(C[N@@H+](C)[C@H]2C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C2)cc(OC)c1 ZINC001704349958 1416452627 /nfs/dbraw/zinc/45/26/27/1416452627.db2.gz MFRBVRJYINCPKG-USTZCAOPSA-N 2 1 332.488 3.254 50 0 EGAAMP COc1ccc(C[N@H+](C)[C@@H](C)c2ccncn2)cc1C[NH+]1CCCC1 ZINC000215194986 241111027 /nfs/dbraw/zinc/11/10/27/241111027.db2.gz INRDHTNWUISHHD-INIZCTEOSA-N 2 1 340.471 3.274 50 0 EGAAMP COc1ccc(C[N@@H+](C)[C@@H](C)c2ccncn2)cc1C[NH+]1CCCC1 ZINC000215194986 241111032 /nfs/dbraw/zinc/11/10/32/241111032.db2.gz INRDHTNWUISHHD-INIZCTEOSA-N 2 1 340.471 3.274 50 0 EGAAMP Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@@H]2c2cccc(Cl)c2)c1 ZINC000006785883 452989140 /nfs/dbraw/zinc/98/91/40/452989140.db2.gz KAWRECNOSIGRKM-HNNXBMFYSA-N 2 1 327.819 3.105 50 0 EGAAMP CC1(C)CC([N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654566 453953589 /nfs/dbraw/zinc/95/35/89/453953589.db2.gz KAMGYWNBURLGCV-OAHLLOKOSA-N 2 1 329.488 3.286 50 0 EGAAMP CCCc1cc(N2CCC([N@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000095513244 454224903 /nfs/dbraw/zinc/22/49/03/454224903.db2.gz IQNMXVYGGKGLRT-IBGZPJMESA-N 2 1 346.519 3.207 50 0 EGAAMP CCCc1cc(N2CCC([N@@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000095513244 454224907 /nfs/dbraw/zinc/22/49/07/454224907.db2.gz IQNMXVYGGKGLRT-IBGZPJMESA-N 2 1 346.519 3.207 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000077535100 203393867 /nfs/dbraw/zinc/39/38/67/203393867.db2.gz XMEYCNXFVBOCGC-UHFFFAOYSA-N 2 1 347.466 3.288 50 0 EGAAMP CC[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015074729 1291145854 /nfs/dbraw/zinc/14/58/54/1291145854.db2.gz IDKSPFIZCTUWQU-HXUWFJFHSA-N 2 1 342.483 3.010 50 0 EGAAMP CC[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015074729 1291145859 /nfs/dbraw/zinc/14/58/59/1291145859.db2.gz IDKSPFIZCTUWQU-HXUWFJFHSA-N 2 1 342.483 3.010 50 0 EGAAMP CC[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015074729 1291145862 /nfs/dbraw/zinc/14/58/62/1291145862.db2.gz IDKSPFIZCTUWQU-HXUWFJFHSA-N 2 1 342.483 3.010 50 0 EGAAMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000825584162 1320348237 /nfs/dbraw/zinc/34/82/37/1320348237.db2.gz ZFBPOVQWYNPKSC-UHFFFAOYSA-N 2 1 332.879 3.494 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3)CC2)cc[nH+]1 ZINC000072151167 203173275 /nfs/dbraw/zinc/17/32/75/203173275.db2.gz OMBFGXMCTHBLAZ-UHFFFAOYSA-N 2 1 347.466 3.288 50 0 EGAAMP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859447 452821666 /nfs/dbraw/zinc/82/16/66/452821666.db2.gz VTZLVAXMWLFFNO-HLIPFELVSA-N 2 1 334.504 3.045 50 0 EGAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386881 453359677 /nfs/dbraw/zinc/35/96/77/453359677.db2.gz HHNGTEZNMJRCMS-QGZVFWFLSA-N 2 1 335.536 3.020 50 0 EGAAMP Cn1cncc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518986 454443499 /nfs/dbraw/zinc/44/34/99/454443499.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 2 1 338.499 3.122 50 0 EGAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425633 535975466 /nfs/dbraw/zinc/97/54/66/535975466.db2.gz LMJPIZDMUJNKLK-JOCHJYFZSA-N 2 1 338.495 3.207 50 0 EGAAMP Cc1c2ccccc2oc1C[N@@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489008 203391271 /nfs/dbraw/zinc/39/12/71/203391271.db2.gz DWHTXOWOPOXUDF-HXUWFJFHSA-N 2 1 328.456 3.164 50 0 EGAAMP Cc1c2ccccc2oc1C[N@H+]1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077489008 203391273 /nfs/dbraw/zinc/39/12/73/203391273.db2.gz DWHTXOWOPOXUDF-HXUWFJFHSA-N 2 1 328.456 3.164 50 0 EGAAMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)CC2)cc1OC ZINC000067854955 453972994 /nfs/dbraw/zinc/97/29/94/453972994.db2.gz LIFXSCGLDIPOSQ-UHFFFAOYSA-N 2 1 332.488 3.402 50 0 EGAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)cc[nH+]1 ZINC000095528436 454229062 /nfs/dbraw/zinc/22/90/62/454229062.db2.gz XZXNWBUWJYDDKA-OAHLLOKOSA-N 2 1 339.468 3.475 50 0 EGAAMP Clc1ccccc1[C@H]1CC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072156442 1292276081 /nfs/dbraw/zinc/27/60/81/1292276081.db2.gz LJADESGAWOBVFW-AWEZNQCLSA-N 2 1 330.863 3.019 50 0 EGAAMP Clc1ccccc1[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072156442 1292276088 /nfs/dbraw/zinc/27/60/88/1292276088.db2.gz LJADESGAWOBVFW-AWEZNQCLSA-N 2 1 330.863 3.019 50 0 EGAAMP Cc1nc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000952992125 1334631836 /nfs/dbraw/zinc/63/18/36/1334631836.db2.gz XCKYYMQZYSTEAR-UHFFFAOYSA-N 2 1 340.515 3.381 50 0 EGAAMP Cc1nc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n(C)c1C ZINC000952992125 1334631841 /nfs/dbraw/zinc/63/18/41/1334631841.db2.gz XCKYYMQZYSTEAR-UHFFFAOYSA-N 2 1 340.515 3.381 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350326 1416452662 /nfs/dbraw/zinc/45/26/62/1416452662.db2.gz IMLZLAMJSIADLJ-LJQANCHMSA-N 2 1 340.471 3.099 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350326 1416452664 /nfs/dbraw/zinc/45/26/64/1416452664.db2.gz IMLZLAMJSIADLJ-LJQANCHMSA-N 2 1 340.471 3.099 50 0 EGAAMP C[NH+](C)CCCC[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000019812954 202021957 /nfs/dbraw/zinc/02/19/57/202021957.db2.gz LKGZPQDDLZZMJE-UHFFFAOYSA-N 2 1 332.517 3.150 50 0 EGAAMP CC(C)C[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1CCO ZINC000072419398 203219079 /nfs/dbraw/zinc/21/90/79/203219079.db2.gz NTBJEYDUWFPKSP-INIZCTEOSA-N 2 1 347.890 3.417 50 0 EGAAMP CC(C)C[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@@H]1CCO ZINC000072419398 203219082 /nfs/dbraw/zinc/21/90/82/203219082.db2.gz NTBJEYDUWFPKSP-INIZCTEOSA-N 2 1 347.890 3.417 50 0 EGAAMP CCc1oc2ccccc2c1C[N@H+]1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC000067677096 453955222 /nfs/dbraw/zinc/95/52/22/453955222.db2.gz VEBOGOIPVWQPKV-UHFFFAOYSA-N 2 1 341.499 3.207 50 0 EGAAMP CC(C)Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)s1 ZINC000067696487 453957535 /nfs/dbraw/zinc/95/75/35/453957535.db2.gz BUFVYTQZECILBK-UHFFFAOYSA-N 2 1 335.561 3.158 50 0 EGAAMP c1cn(Cc2cscn2)c([C@@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095378116 454199738 /nfs/dbraw/zinc/19/97/38/454199738.db2.gz DWPFCXYSCVITFV-CQSZACIVSA-N 2 1 325.441 3.167 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000095520247 454226441 /nfs/dbraw/zinc/22/64/41/454226441.db2.gz PSLKYQANLRBNGF-OAHLLOKOSA-N 2 1 347.894 3.267 50 0 EGAAMP c1cn(C[C@@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cn1 ZINC000097730025 454445137 /nfs/dbraw/zinc/44/51/37/454445137.db2.gz LXCINOWOSVEDIR-QGZVFWFLSA-N 2 1 344.528 3.453 50 0 EGAAMP OC[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091770584 454468373 /nfs/dbraw/zinc/46/83/73/454468373.db2.gz LQXDQFOZVAIDAH-BGEOSOQGSA-N 2 1 346.490 3.255 50 0 EGAAMP OC[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091770584 454468377 /nfs/dbraw/zinc/46/83/77/454468377.db2.gz LQXDQFOZVAIDAH-BGEOSOQGSA-N 2 1 346.490 3.255 50 0 EGAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000584896740 459820378 /nfs/dbraw/zinc/82/03/78/459820378.db2.gz YCHZIFNOYDIXKT-AWEZNQCLSA-N 2 1 339.443 3.023 50 0 EGAAMP COc1ccc2cc(C[NH2+]CCC[N@H+]3CCCC[C@H]3CO)ccc2c1 ZINC000952986855 1334631181 /nfs/dbraw/zinc/63/11/81/1334631181.db2.gz BIVGDHSTXRRJPI-FQEVSTJZSA-N 2 1 342.483 3.175 50 0 EGAAMP CSc1ccc2cc(C[NH2+]CCCn3cc[nH+]c3C)c(=O)[nH]c2c1 ZINC000952988846 1334631454 /nfs/dbraw/zinc/63/14/54/1334631454.db2.gz SVCPEMXMONBDNF-UHFFFAOYSA-N 2 1 342.468 3.347 50 0 EGAAMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC000004989381 452829414 /nfs/dbraw/zinc/82/94/14/452829414.db2.gz HRESOYSDTSYUEC-UHFFFAOYSA-N 2 1 340.467 3.458 50 0 EGAAMP CCOC(=O)[C@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987441 453551119 /nfs/dbraw/zinc/55/11/19/453551119.db2.gz XQKPAWKYOKHCKG-OALUTQOASA-N 2 1 342.483 3.069 50 0 EGAAMP CCOC(=O)[C@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987441 453551125 /nfs/dbraw/zinc/55/11/25/453551125.db2.gz XQKPAWKYOKHCKG-OALUTQOASA-N 2 1 342.483 3.069 50 0 EGAAMP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970561 /nfs/dbraw/zinc/97/05/61/453970561.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 1 327.516 3.115 50 0 EGAAMP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970565 /nfs/dbraw/zinc/97/05/65/453970565.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 1 327.516 3.115 50 0 EGAAMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970566 /nfs/dbraw/zinc/97/05/66/453970566.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 1 327.516 3.115 50 0 EGAAMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970570 /nfs/dbraw/zinc/97/05/70/453970570.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 1 327.516 3.115 50 0 EGAAMP c1ccc(C[NH+]2CC[C@H](NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000055225757 453970574 /nfs/dbraw/zinc/97/05/74/453970574.db2.gz HPDSLGNUGMQSRL-PCCBWWKXSA-N 2 1 327.516 3.115 50 0 EGAAMP COc1c(C)c[nH+]c(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1C ZINC000095366494 454197066 /nfs/dbraw/zinc/19/70/66/454197066.db2.gz GGWQCWURNNBCPR-RBUKOAKNSA-N 2 1 343.515 3.403 50 0 EGAAMP COc1c(C)c[nH+]c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1C ZINC000095366494 454197067 /nfs/dbraw/zinc/19/70/67/454197067.db2.gz GGWQCWURNNBCPR-RBUKOAKNSA-N 2 1 343.515 3.403 50 0 EGAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)cc[nH+]1 ZINC000095388219 454200293 /nfs/dbraw/zinc/20/02/93/454200293.db2.gz RTWUYEBIDBDBIK-KRWDZBQOSA-N 2 1 333.439 3.414 50 0 EGAAMP C[NH+](C)Cc1csc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)c1 ZINC000095519167 454226849 /nfs/dbraw/zinc/22/68/49/454226849.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 2 1 333.545 3.116 50 0 EGAAMP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)c1 ZINC000095519167 454226854 /nfs/dbraw/zinc/22/68/54/454226854.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 2 1 333.545 3.116 50 0 EGAAMP C[NH+](C)Cc1csc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)c1 ZINC000095519167 454226857 /nfs/dbraw/zinc/22/68/57/454226857.db2.gz XDAONSBDICTFQU-FUHWJXTLSA-N 2 1 333.545 3.116 50 0 EGAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321713 454427810 /nfs/dbraw/zinc/42/78/10/454427810.db2.gz UONFDLVCXGXQTJ-IBGZPJMESA-N 2 1 338.499 3.122 50 0 EGAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321713 454427817 /nfs/dbraw/zinc/42/78/17/454427817.db2.gz UONFDLVCXGXQTJ-IBGZPJMESA-N 2 1 338.499 3.122 50 0 EGAAMP CCOCC[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000426556059 457853823 /nfs/dbraw/zinc/85/38/23/457853823.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000426556059 457853830 /nfs/dbraw/zinc/85/38/30/457853830.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000426556059 457853835 /nfs/dbraw/zinc/85/38/35/457853835.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1)C2 ZINC000426556059 457853838 /nfs/dbraw/zinc/85/38/38/457853838.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000426556059 457853842 /nfs/dbraw/zinc/85/38/42/457853842.db2.gz VUQLVHCOMYCZCF-FQEVSTJZSA-N 2 1 332.488 3.020 50 0 EGAAMP CC[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015074728 1291146103 /nfs/dbraw/zinc/14/61/03/1291146103.db2.gz IDKSPFIZCTUWQU-FQEVSTJZSA-N 2 1 342.483 3.010 50 0 EGAAMP CC[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015074728 1291146107 /nfs/dbraw/zinc/14/61/07/1291146107.db2.gz IDKSPFIZCTUWQU-FQEVSTJZSA-N 2 1 342.483 3.010 50 0 EGAAMP CC[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015074728 1291146110 /nfs/dbraw/zinc/14/61/10/1291146110.db2.gz IDKSPFIZCTUWQU-FQEVSTJZSA-N 2 1 342.483 3.010 50 0 EGAAMP Cc1ccc(NCCC[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[nH+]c1 ZINC000826588687 1320389461 /nfs/dbraw/zinc/38/94/61/1320389461.db2.gz VWHAWGDPRXMRKQ-QGZVFWFLSA-N 2 1 328.435 3.200 50 0 EGAAMP Cc1cc(C)c(-n2cccn2)c(C[N@@H+](C)CCCc2[nH+]ccn2C)c1 ZINC000216532950 241200759 /nfs/dbraw/zinc/20/07/59/241200759.db2.gz DNFJPXBKQRPSIY-UHFFFAOYSA-N 2 1 337.471 3.287 50 0 EGAAMP Cc1cc(C)c(-n2cccn2)c(C[N@H+](C)CCCc2[nH+]ccn2C)c1 ZINC000216532950 241200765 /nfs/dbraw/zinc/20/07/65/241200765.db2.gz DNFJPXBKQRPSIY-UHFFFAOYSA-N 2 1 337.471 3.287 50 0 EGAAMP C[NH+](C)[C@@H](C(=O)NCCCC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000219326948 241380628 /nfs/dbraw/zinc/38/06/28/241380628.db2.gz YLQPEMSTSXVIQW-LJQANCHMSA-N 2 1 349.494 3.201 50 0 EGAAMP c1ccc(C[NH+]2CCN(CC[N@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000243956787 243035796 /nfs/dbraw/zinc/03/57/96/243035796.db2.gz CDWRUSFCNCGRMD-UHFFFAOYSA-N 2 1 327.516 3.070 50 0 EGAAMP C[C@H]1C[C@H](NCc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237718482 547258641 /nfs/dbraw/zinc/25/86/41/547258641.db2.gz MIXXOAYDBCWWDA-LPHOPBHVSA-N 2 1 338.451 3.210 50 0 EGAAMP CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)C1 ZINC000685942130 550456430 /nfs/dbraw/zinc/45/64/30/550456430.db2.gz GFKZEWIHLSUDGR-DOTOQJQBSA-N 2 1 341.455 3.219 50 0 EGAAMP Cc1ncc(CN(CC[NH+](C)C)Cc2ccccc2C(F)(F)F)[nH]1 ZINC001704314404 1416439532 /nfs/dbraw/zinc/43/95/32/1416439532.db2.gz YXWKDPCFYBGLJH-UHFFFAOYSA-N 2 1 340.393 3.301 50 0 EGAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3cccc(-n4cccn4)c3)C[C@@H]2C1 ZINC001704351748 1416453090 /nfs/dbraw/zinc/45/30/90/1416453090.db2.gz RFLUQSUQSKZTFT-GHSBBIOCSA-N 2 1 338.499 3.423 50 0 EGAAMP Cc1ncsc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712329 1441417243 /nfs/dbraw/zinc/41/72/43/1441417243.db2.gz PAQRJWBDORCUHU-HKUYNNGSSA-N 2 1 327.497 3.106 50 0 EGAAMP Cc1ncsc1C[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712329 1441417244 /nfs/dbraw/zinc/41/72/44/1441417244.db2.gz PAQRJWBDORCUHU-HKUYNNGSSA-N 2 1 327.497 3.106 50 0 EGAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223541 /nfs/dbraw/zinc/22/35/41/215223541.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 2 1 327.472 3.080 50 0 EGAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223543 /nfs/dbraw/zinc/22/35/43/215223543.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 2 1 327.472 3.080 50 0 EGAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223546 /nfs/dbraw/zinc/22/35/46/215223546.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 2 1 327.472 3.080 50 0 EGAAMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c(F)c1 ZINC000077489697 454112951 /nfs/dbraw/zinc/11/29/51/454112951.db2.gz RJBWGICITJYESF-UHFFFAOYSA-N 2 1 329.419 3.250 50 0 EGAAMP C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCC2)c1 ZINC000095523853 454228187 /nfs/dbraw/zinc/22/81/87/454228187.db2.gz AGLPWZSJDDXOHQ-KRWDZBQOSA-N 2 1 344.503 3.278 50 0 EGAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)cc[nH+]1 ZINC000095528435 454229052 /nfs/dbraw/zinc/22/90/52/454229052.db2.gz XZXNWBUWJYDDKA-HNNXBMFYSA-N 2 1 339.468 3.475 50 0 EGAAMP C[C@@H](c1cccc(C[N@@H+](CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472065 456040280 /nfs/dbraw/zinc/04/02/80/456040280.db2.gz PHNMRFFDKSFMSS-INIZCTEOSA-N 2 1 330.447 3.443 50 0 EGAAMP c1nc(CC2CC[NH+](Cc3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000670444628 548215769 /nfs/dbraw/zinc/21/57/69/548215769.db2.gz GKBOOGLQDDBEBI-UHFFFAOYSA-N 2 1 333.439 3.117 50 0 EGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000952860009 1334582719 /nfs/dbraw/zinc/58/27/19/1334582719.db2.gz INACECGLRPHGSZ-UHFFFAOYSA-N 2 1 338.455 3.038 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000067878550 215237469 /nfs/dbraw/zinc/23/74/69/215237469.db2.gz RKFUHZHPVRCGBD-UHFFFAOYSA-N 2 1 347.466 3.288 50 0 EGAAMP COc1ccc2[nH]c(C[N@H+](C)CCCc3[nH+]ccn3C)c(C)c2c1 ZINC000215428657 241124800 /nfs/dbraw/zinc/12/48/00/241124800.db2.gz KNVKZYYQUWTFAB-UHFFFAOYSA-N 2 1 326.444 3.283 50 0 EGAAMP COc1ccc2[nH]c(C[N@@H+](C)CCCc3[nH+]ccn3C)c(C)c2c1 ZINC000215428657 241124807 /nfs/dbraw/zinc/12/48/07/241124807.db2.gz KNVKZYYQUWTFAB-UHFFFAOYSA-N 2 1 326.444 3.283 50 0 EGAAMP c1coc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012304979 211338698 /nfs/dbraw/zinc/33/86/98/211338698.db2.gz FMBGBSMSEUKDJG-LJQANCHMSA-N 2 1 325.456 3.409 50 0 EGAAMP CC[N@@H+](Cc1ccncc1)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000299781879 258090599 /nfs/dbraw/zinc/09/05/99/258090599.db2.gz UZPABBUDBRLEBR-UHFFFAOYSA-N 2 1 325.456 3.235 50 0 EGAAMP C[C@@H](CC1CC1)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000048101497 454443184 /nfs/dbraw/zinc/44/31/84/454443184.db2.gz VMNANOFXDXSJMM-KRWDZBQOSA-N 2 1 345.535 3.480 50 0 EGAAMP CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cn1ccnc1C ZINC000822718128 1320116679 /nfs/dbraw/zinc/11/66/79/1320116679.db2.gz LWASAIRPFYXTRN-GOSISDBHSA-N 2 1 340.471 3.443 50 0 EGAAMP CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000822718128 1320116683 /nfs/dbraw/zinc/11/66/83/1320116683.db2.gz LWASAIRPFYXTRN-GOSISDBHSA-N 2 1 340.471 3.443 50 0 EGAAMP C[C@H]1CCC[N@@H+](CCOc2ccccc2C[NH+](C)CC2(C)COC2)C1 ZINC000823683721 1320197987 /nfs/dbraw/zinc/19/79/87/1320197987.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 2 1 346.515 3.266 50 0 EGAAMP C[C@H]1CCC[NH+](CCOc2ccccc2C[N@H+](C)CC2(C)COC2)C1 ZINC000823683721 1320197989 /nfs/dbraw/zinc/19/79/89/1320197989.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 2 1 346.515 3.266 50 0 EGAAMP C[C@H]1CCC[NH+](CCOc2ccccc2C[N@@H+](C)CC2(C)COC2)C1 ZINC000823683721 1320197990 /nfs/dbraw/zinc/19/79/90/1320197990.db2.gz BLAPIFZGYHJBDL-SFHVURJKSA-N 2 1 346.515 3.266 50 0 EGAAMP C[N@@H+](CCCn1cccn1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000823719933 1320201131 /nfs/dbraw/zinc/20/11/31/1320201131.db2.gz YNKAYULAXVWVRV-UHFFFAOYSA-N 2 1 332.517 3.453 50 0 EGAAMP CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984294 1334630688 /nfs/dbraw/zinc/63/06/88/1334630688.db2.gz ZMPXVUCHILDACX-IBGZPJMESA-N 2 1 329.488 3.485 50 0 EGAAMP COc1cccc(C[N@H+](C)[C@H](C)c2ccco2)c1OCC[NH+](C)C ZINC000055575945 214331433 /nfs/dbraw/zinc/33/14/33/214331433.db2.gz RGTWBGLEYWNZCE-OAHLLOKOSA-N 2 1 332.444 3.422 50 0 EGAAMP COc1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1OCC[NH+](C)C ZINC000055575945 214331435 /nfs/dbraw/zinc/33/14/35/214331435.db2.gz RGTWBGLEYWNZCE-OAHLLOKOSA-N 2 1 332.444 3.422 50 0 EGAAMP C[C@H](C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072421356 216208914 /nfs/dbraw/zinc/20/89/14/216208914.db2.gz NDDLJDIHMCHJLB-CQSZACIVSA-N 2 1 340.870 3.412 50 0 EGAAMP COc1ccccc1OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000020255941 212115025 /nfs/dbraw/zinc/11/50/25/212115025.db2.gz WFJDTRRGGJBRGL-KRWDZBQOSA-N 2 1 332.488 3.413 50 0 EGAAMP COc1ccccc1OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000020255941 212115027 /nfs/dbraw/zinc/11/50/27/212115027.db2.gz WFJDTRRGGJBRGL-KRWDZBQOSA-N 2 1 332.488 3.413 50 0 EGAAMP CCCCSc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)cc(N)[nH+]1 ZINC000095372310 218305040 /nfs/dbraw/zinc/30/50/40/218305040.db2.gz CBHDLBLATXGXLF-AWEZNQCLSA-N 2 1 335.521 3.016 50 0 EGAAMP CC[N@H+](C)C1(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000095384675 218316580 /nfs/dbraw/zinc/31/65/80/218316580.db2.gz KTXFWFMNJRLBPL-SFHVURJKSA-N 2 1 349.494 3.199 50 0 EGAAMP CC[N@@H+](C)C1(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000095384675 218316582 /nfs/dbraw/zinc/31/65/82/218316582.db2.gz KTXFWFMNJRLBPL-SFHVURJKSA-N 2 1 349.494 3.199 50 0 EGAAMP CCOC(=O)[C@@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987438 453551148 /nfs/dbraw/zinc/55/11/48/453551148.db2.gz XQKPAWKYOKHCKG-MOPGFXCFSA-N 2 1 342.483 3.069 50 0 EGAAMP CCOC(=O)[C@@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987438 453551155 /nfs/dbraw/zinc/55/11/55/453551155.db2.gz XQKPAWKYOKHCKG-MOPGFXCFSA-N 2 1 342.483 3.069 50 0 EGAAMP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000097636533 454441646 /nfs/dbraw/zinc/44/16/46/454441646.db2.gz JGZWMTGRNTVNPN-MRXNPFEDSA-N 2 1 329.513 3.031 50 0 EGAAMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000097636533 454441651 /nfs/dbraw/zinc/44/16/51/454441651.db2.gz JGZWMTGRNTVNPN-MRXNPFEDSA-N 2 1 329.513 3.031 50 0 EGAAMP C=Cc1cccc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065426920 454566219 /nfs/dbraw/zinc/56/62/19/454566219.db2.gz KIHLFSYUGJGAFS-CIAFKFPVSA-N 2 1 334.463 3.040 50 0 EGAAMP C=Cc1cccc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065426920 454566220 /nfs/dbraw/zinc/56/62/20/454566220.db2.gz KIHLFSYUGJGAFS-CIAFKFPVSA-N 2 1 334.463 3.040 50 0 EGAAMP Clc1ccc(C[N@H+]2C[C@@H]3[C@H](C[NH+]4CCCC4)[C@H]4CC[C@]3(C2)O4)cc1 ZINC001704314638 1416440257 /nfs/dbraw/zinc/44/02/57/1416440257.db2.gz VDUSGZFHSUOWGS-MTQWCTHYSA-N 2 1 346.902 3.415 50 0 EGAAMP CSc1ccc(C[N@@H+](CCO)CC2CC[NH+](C(C)C)CC2)cc1 ZINC000055403514 214320647 /nfs/dbraw/zinc/32/06/47/214320647.db2.gz DGPTVTSMXJNODM-UHFFFAOYSA-N 2 1 336.545 3.323 50 0 EGAAMP COc1cccc(C[NH2+][C@@H](C)c2ncccc2C)c1OCC[NH+](C)C ZINC000055414465 214322404 /nfs/dbraw/zinc/32/24/04/214322404.db2.gz PTWSJBSUKDVANP-INIZCTEOSA-N 2 1 343.471 3.190 50 0 EGAAMP Clc1nc2sccn2c1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000067714735 215192364 /nfs/dbraw/zinc/19/23/64/215192364.db2.gz ISRBKDRJUUXHIR-UHFFFAOYSA-N 2 1 338.908 3.405 50 0 EGAAMP CC1(C)CC([N@H+]2CCC[C@@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965681 215262156 /nfs/dbraw/zinc/26/21/56/215262156.db2.gz LSLRTFMXGCNZLU-GOSISDBHSA-N 2 1 331.504 3.372 50 0 EGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150046 216037958 /nfs/dbraw/zinc/03/79/58/216037958.db2.gz QDUNHZDMQGAKKM-NRFANRHFSA-N 2 1 349.482 3.349 50 0 EGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150046 216037961 /nfs/dbraw/zinc/03/79/61/216037961.db2.gz QDUNHZDMQGAKKM-NRFANRHFSA-N 2 1 349.482 3.349 50 0 EGAAMP Cc1nn(C)cc1C[N@@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072433743 216227754 /nfs/dbraw/zinc/22/77/54/216227754.db2.gz NKALJFDSRLJBIW-UHFFFAOYSA-N 2 1 339.487 3.067 50 0 EGAAMP Cc1nn(C)cc1C[N@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072433743 216227755 /nfs/dbraw/zinc/22/77/55/216227755.db2.gz NKALJFDSRLJBIW-UHFFFAOYSA-N 2 1 339.487 3.067 50 0 EGAAMP C[N@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384517 /nfs/dbraw/zinc/38/45/17/211384517.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 2 1 336.495 3.031 50 0 EGAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384522 /nfs/dbraw/zinc/38/45/22/211384522.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 2 1 336.495 3.031 50 0 EGAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384523 /nfs/dbraw/zinc/38/45/23/211384523.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 2 1 336.495 3.031 50 0 EGAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384528 /nfs/dbraw/zinc/38/45/28/211384528.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 2 1 336.495 3.031 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091738131 218056427 /nfs/dbraw/zinc/05/64/27/218056427.db2.gz YNGQQPNZHZWPPA-GOSISDBHSA-N 2 1 333.439 3.414 50 0 EGAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000012225209 453349806 /nfs/dbraw/zinc/34/98/06/453349806.db2.gz PWTWHGYJMNMZIF-UHFFFAOYSA-N 2 1 334.479 3.191 50 0 EGAAMP COc1ccc(OCC2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000252484416 455809929 /nfs/dbraw/zinc/80/99/29/455809929.db2.gz FVRWPESONDAFBV-UHFFFAOYSA-N 2 1 343.471 3.381 50 0 EGAAMP c1cn(C[C@H]2CCC[N@@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)cn1 ZINC000097730026 219051730 /nfs/dbraw/zinc/05/17/30/219051730.db2.gz LXCINOWOSVEDIR-KRWDZBQOSA-N 2 1 344.528 3.453 50 0 EGAAMP Cc1cc(C)n(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)n1 ZINC000014957279 453549044 /nfs/dbraw/zinc/54/90/44/453549044.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 2 1 344.547 3.478 50 0 EGAAMP Cc1cc(C)n(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)n1 ZINC000014957279 453549047 /nfs/dbraw/zinc/54/90/47/453549047.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 2 1 344.547 3.478 50 0 EGAAMP Cc1cc(C)n(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)n1 ZINC000014957279 453549051 /nfs/dbraw/zinc/54/90/51/453549051.db2.gz NLIRDXXEGDWVRM-OAQYLSRUSA-N 2 1 344.547 3.478 50 0 EGAAMP O=C(C[NH+]1CCCCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012587787 1291133092 /nfs/dbraw/zinc/13/30/92/1291133092.db2.gz MNFNKNKMNNEDQX-LJQANCHMSA-N 2 1 335.536 3.023 50 0 EGAAMP CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984297 1334630771 /nfs/dbraw/zinc/63/07/71/1334630771.db2.gz ZMPXVUCHILDACX-LJQANCHMSA-N 2 1 329.488 3.485 50 0 EGAAMP CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000952989268 1334631571 /nfs/dbraw/zinc/63/15/71/1334631571.db2.gz QHESGQKBVVCTPK-OAQYLSRUSA-N 2 1 341.543 3.287 50 0 EGAAMP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[NH+](C)C1 ZINC000216131976 241169077 /nfs/dbraw/zinc/16/90/77/241169077.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 2 1 339.483 3.434 50 0 EGAAMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[NH+](C)C1 ZINC000216131976 241169084 /nfs/dbraw/zinc/16/90/84/241169084.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 2 1 339.483 3.434 50 0 EGAAMP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[N@H+](C)C1 ZINC000216131976 241169088 /nfs/dbraw/zinc/16/90/88/241169088.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 2 1 339.483 3.434 50 0 EGAAMP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000216131976 241169094 /nfs/dbraw/zinc/16/90/94/241169094.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 2 1 339.483 3.434 50 0 EGAAMP CC(C)[N@H+]1CC[C@H](C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758131 243074816 /nfs/dbraw/zinc/07/48/16/243074816.db2.gz OSWHYCPUVFPDGS-MRXNPFEDSA-N 2 1 336.907 3.354 50 0 EGAAMP C[N@@H+](C[C@@H](O)COc1ccccc1C[NH2+]C1CCC1)C1CCCCC1 ZINC000012459526 211387981 /nfs/dbraw/zinc/38/79/81/211387981.db2.gz FKQWGJDMBUMQBA-HXUWFJFHSA-N 2 1 346.515 3.333 50 0 EGAAMP COCC[NH+]1CCC(C[N@@H+](Cc2ccoc2)Cc2ccncc2)CC1 ZINC000011816927 211249832 /nfs/dbraw/zinc/24/98/32/211249832.db2.gz SUMJFNVVYJIOSQ-UHFFFAOYSA-N 2 1 343.471 3.035 50 0 EGAAMP Cc1cc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000095383680 218316176 /nfs/dbraw/zinc/31/61/76/218316176.db2.gz UQQDFJVXUJNPMK-UHFFFAOYSA-N 3 1 341.503 3.231 50 0 EGAAMP CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012574013 453375752 /nfs/dbraw/zinc/37/57/52/453375752.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 2 1 334.504 3.143 50 0 EGAAMP CC[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012574013 453375763 /nfs/dbraw/zinc/37/57/63/453375763.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 2 1 334.504 3.143 50 0 EGAAMP CC[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012574013 453375773 /nfs/dbraw/zinc/37/57/73/453375773.db2.gz TYEIQDOTVRJMIY-LJQANCHMSA-N 2 1 334.504 3.143 50 0 EGAAMP CN(CC1CC[NH+](Cc2ccccc2)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000077301258 454087693 /nfs/dbraw/zinc/08/76/93/454087693.db2.gz CKXFNCHEYRCMAD-UHFFFAOYSA-N 2 1 335.455 3.306 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505835 454115491 /nfs/dbraw/zinc/11/54/91/454115491.db2.gz NPXDSLAKLSAYRM-GOSISDBHSA-N 2 1 327.476 3.097 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505835 454115493 /nfs/dbraw/zinc/11/54/93/454115493.db2.gz NPXDSLAKLSAYRM-GOSISDBHSA-N 2 1 327.476 3.097 50 0 EGAAMP Cc1cc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc(C)[nH+]1 ZINC000072149482 454272967 /nfs/dbraw/zinc/27/29/67/454272967.db2.gz DFJHTYIJXGNSSQ-PZJWPPBQSA-N 3 1 342.531 3.085 50 0 EGAAMP Cc1cc(N2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc(C)[nH+]1 ZINC000072149482 454272969 /nfs/dbraw/zinc/27/29/69/454272969.db2.gz DFJHTYIJXGNSSQ-PZJWPPBQSA-N 2 1 342.531 3.085 50 0 EGAAMP Cc1cc(N2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc(C)[nH+]1 ZINC000072149482 454272973 /nfs/dbraw/zinc/27/29/73/454272973.db2.gz DFJHTYIJXGNSSQ-PZJWPPBQSA-N 2 1 342.531 3.085 50 0 EGAAMP Cc1nc([C@H]2CCC[N@@H+](Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499813 454578435 /nfs/dbraw/zinc/57/84/35/454578435.db2.gz DZJQHAIQILZYDO-INIZCTEOSA-N 2 1 337.427 3.252 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000952987627 1334631458 /nfs/dbraw/zinc/63/14/58/1334631458.db2.gz ITCOAMXAWWNLJD-UHFFFAOYSA-N 2 1 348.450 3.356 50 0 EGAAMP Cc1ccc(-c2nc3sccn3c2C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000067741953 215201231 /nfs/dbraw/zinc/20/12/31/215201231.db2.gz CSHRMTVCQGZKBK-CQSZACIVSA-N 2 1 326.469 3.152 50 0 EGAAMP Cc1ccc(-c2nc3sccn3c2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000067741953 215201232 /nfs/dbraw/zinc/20/12/32/215201232.db2.gz CSHRMTVCQGZKBK-CQSZACIVSA-N 2 1 326.469 3.152 50 0 EGAAMP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cc1 ZINC000038344817 213207733 /nfs/dbraw/zinc/20/77/33/213207733.db2.gz UULXEKQLEPUSBO-INIZCTEOSA-N 2 1 347.503 3.266 50 0 EGAAMP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000097155874 454418148 /nfs/dbraw/zinc/41/81/48/454418148.db2.gz KRPVFJKGABBQDI-KRWDZBQOSA-N 2 1 326.440 3.055 50 0 EGAAMP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000097155874 454418153 /nfs/dbraw/zinc/41/81/53/454418153.db2.gz KRPVFJKGABBQDI-KRWDZBQOSA-N 2 1 326.440 3.055 50 0 EGAAMP Cc1ccccc1CC[NH+]1CCC(C[N@@H+](CCO)C2CCCC2)CC1 ZINC000011880065 1291129708 /nfs/dbraw/zinc/12/97/08/1291129708.db2.gz PSQALVIVAZATGR-UHFFFAOYSA-N 2 1 344.543 3.486 50 0 EGAAMP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712331 1441417294 /nfs/dbraw/zinc/41/72/94/1441417294.db2.gz PAQRJWBDORCUHU-MJGOQNOKSA-N 2 1 327.497 3.106 50 0 EGAAMP Cc1ncsc1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(CCc2ccccc2)C1 ZINC001772712331 1441417295 /nfs/dbraw/zinc/41/72/95/1441417295.db2.gz PAQRJWBDORCUHU-MJGOQNOKSA-N 2 1 327.497 3.106 50 0 EGAAMP Cc1ccc(C2(C[N@@H+](C)Cc3cc(C)cc(C)n3)CC[NH2+]CC2)nc1 ZINC000067878524 215237749 /nfs/dbraw/zinc/23/77/49/215237749.db2.gz NMFLEWXPMNECPE-UHFFFAOYSA-N 2 1 338.499 3.155 50 0 EGAAMP COc1cc(C[NH+]2CCC3(CC2)CCC[N@@H+](C)CC3)cc2c1OCO2 ZINC000067956241 215260263 /nfs/dbraw/zinc/26/02/63/215260263.db2.gz AIHJLKPDSVAESV-UHFFFAOYSA-N 2 1 346.471 3.122 50 0 EGAAMP COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1C[NH+]1CCCC1 ZINC000216350370 241185693 /nfs/dbraw/zinc/18/56/93/241185693.db2.gz XEYBVQITTVBTGP-IBGZPJMESA-N 2 1 332.488 3.292 50 0 EGAAMP CC(C)C/C=C(\C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000215532326 241132733 /nfs/dbraw/zinc/13/27/33/241132733.db2.gz DILTXDVQQGZZAP-DZEJHBHFSA-N 2 1 341.543 3.438 50 0 EGAAMP CC(C)C/C=C(\C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000215532326 241132742 /nfs/dbraw/zinc/13/27/42/241132742.db2.gz DILTXDVQQGZZAP-DZEJHBHFSA-N 2 1 341.543 3.438 50 0 EGAAMP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)[nH+]1 ZINC000584884493 564131456 /nfs/dbraw/zinc/13/14/56/564131456.db2.gz AMVGYGVCMMBCQZ-SFHVURJKSA-N 2 1 338.455 3.004 50 0 EGAAMP Cc1[nH]c(C)c(-c2cccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)[nH+]1 ZINC000584884493 564131457 /nfs/dbraw/zinc/13/14/57/564131457.db2.gz AMVGYGVCMMBCQZ-SFHVURJKSA-N 2 1 338.455 3.004 50 0 EGAAMP CCn1cncc1C[NH+]1CCC([C@@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000019743531 1291193649 /nfs/dbraw/zinc/19/36/49/1291193649.db2.gz RFALVZXAAZESIM-GOSISDBHSA-N 2 1 332.536 3.483 50 0 EGAAMP CC[C@@H]1C=CC[N@H+]1Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000952964768 1334626091 /nfs/dbraw/zinc/62/60/91/1334626091.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 2 1 327.516 3.201 50 0 EGAAMP CC[C@@H]1C=CC[N@@H+]1Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000952964768 1334626097 /nfs/dbraw/zinc/62/60/97/1334626097.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 2 1 327.516 3.201 50 0 EGAAMP CC[C@@H]1C=CC[N@H+]1Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000952964768 1334626103 /nfs/dbraw/zinc/62/61/03/1334626103.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 2 1 327.516 3.201 50 0 EGAAMP Cc1sc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC000097636532 219043325 /nfs/dbraw/zinc/04/33/25/219043325.db2.gz JGZWMTGRNTVNPN-INIZCTEOSA-N 2 1 329.513 3.031 50 0 EGAAMP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC000097636532 219043328 /nfs/dbraw/zinc/04/33/28/219043328.db2.gz JGZWMTGRNTVNPN-INIZCTEOSA-N 2 1 329.513 3.031 50 0 EGAAMP CCCCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)s1 ZINC000067642470 215171989 /nfs/dbraw/zinc/17/19/89/215171989.db2.gz BSHZJKNLFRBMMQ-UHFFFAOYSA-N 2 1 335.561 3.303 50 0 EGAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134661 216023712 /nfs/dbraw/zinc/02/37/12/216023712.db2.gz JQDJUULYVWUMEM-OAQYLSRUSA-N 2 1 346.515 3.287 50 0 EGAAMP CC(C)[NH+]1CCC(N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000020780454 212172691 /nfs/dbraw/zinc/17/26/91/212172691.db2.gz UJLCYOXOMZPZFH-NRFANRHFSA-N 2 1 329.532 3.456 50 0 EGAAMP C[N@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878154 211262345 /nfs/dbraw/zinc/26/23/45/211262345.db2.gz QFDKPXKLRTYTIL-KRWDZBQOSA-N 2 1 334.479 3.191 50 0 EGAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878154 211262350 /nfs/dbraw/zinc/26/23/50/211262350.db2.gz QFDKPXKLRTYTIL-KRWDZBQOSA-N 2 1 334.479 3.191 50 0 EGAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878154 211262352 /nfs/dbraw/zinc/26/23/52/211262352.db2.gz QFDKPXKLRTYTIL-KRWDZBQOSA-N 2 1 334.479 3.191 50 0 EGAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878154 211262361 /nfs/dbraw/zinc/26/23/61/211262361.db2.gz QFDKPXKLRTYTIL-KRWDZBQOSA-N 2 1 334.479 3.191 50 0 EGAAMP Clc1cccc(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000097259159 219006422 /nfs/dbraw/zinc/00/64/22/219006422.db2.gz BOXWOLYWPGNSNQ-KRWDZBQOSA-N 2 1 345.874 3.080 50 0 EGAAMP COC(=O)CC[C@H]1C[N@@H+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC[C@H]1[NH+](C)C ZINC000014960432 453549120 /nfs/dbraw/zinc/54/91/20/453549120.db2.gz IENIYPZLXRDTIM-CADBVGFASA-N 2 1 348.531 3.184 50 0 EGAAMP CN1CC[N@H+](C)CC12CCN(c1cc[nH+]c3cc(Cl)ccc31)CC2 ZINC000067786466 453965836 /nfs/dbraw/zinc/96/58/36/453965836.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 2 1 344.890 3.104 50 0 EGAAMP CN1CC[N@@H+](C)CC12CCN(c1cc[nH+]c3cc(Cl)ccc31)CC2 ZINC000067786466 453965837 /nfs/dbraw/zinc/96/58/37/453965837.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 2 1 344.890 3.104 50 0 EGAAMP Cc1nn(CC[NH+]2CCCC2)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000065453624 454569404 /nfs/dbraw/zinc/56/94/04/454569404.db2.gz CMJXKJFKSDNHQN-HXUWFJFHSA-N 2 1 339.487 3.019 50 0 EGAAMP Cc1ccc(NCCC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[nH+]c1 ZINC000826588686 1320389777 /nfs/dbraw/zinc/38/97/77/1320389777.db2.gz VWHAWGDPRXMRKQ-KRWDZBQOSA-N 2 1 328.435 3.200 50 0 EGAAMP COCC[N@H+]1CCC[C@@H](CNCc2cccc(Cl)c2Cl)C1 ZINC000952986038 1334630415 /nfs/dbraw/zinc/63/04/15/1334630415.db2.gz CVKRVJBKSJLPQS-ZDUSSCGKSA-N 2 1 331.287 3.441 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350324 1416452639 /nfs/dbraw/zinc/45/26/39/1416452639.db2.gz IMLZLAMJSIADLJ-IBGZPJMESA-N 2 1 340.471 3.099 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350324 1416452641 /nfs/dbraw/zinc/45/26/41/1416452641.db2.gz IMLZLAMJSIADLJ-IBGZPJMESA-N 2 1 340.471 3.099 50 0 EGAAMP CCc1[nH+]ccn1CC(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072479911 216259468 /nfs/dbraw/zinc/25/94/68/216259468.db2.gz KQWRTLYCLWGQND-UHFFFAOYSA-N 2 1 346.519 3.093 50 0 EGAAMP CCc1ncc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000215028174 241102457 /nfs/dbraw/zinc/10/24/57/241102457.db2.gz WAVACKKESPUFOH-UHFFFAOYSA-N 2 1 338.499 3.383 50 0 EGAAMP C[N@@H+](C[C@H]1CCOC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012386107 211365297 /nfs/dbraw/zinc/36/52/97/211365297.db2.gz KOGFYCDIOQOHME-LJQANCHMSA-N 2 1 334.479 3.049 50 0 EGAAMP CSc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000091536704 218018790 /nfs/dbraw/zinc/01/87/90/218018790.db2.gz MARBUVXMCYTTHF-RTBURBONSA-N 2 1 348.556 3.325 50 0 EGAAMP CSc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000091536704 218018793 /nfs/dbraw/zinc/01/87/93/218018793.db2.gz MARBUVXMCYTTHF-RTBURBONSA-N 2 1 348.556 3.325 50 0 EGAAMP COCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095376741 218308753 /nfs/dbraw/zinc/30/87/53/218308753.db2.gz GRFCDKVQFWJVKD-LJQANCHMSA-N 2 1 328.500 3.367 50 0 EGAAMP CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)CCC[N@H+](C)CC3)cc1 ZINC000067541454 277073688 /nfs/dbraw/zinc/07/36/88/277073688.db2.gz ZBYAEXTYZFICLA-UHFFFAOYSA-N 2 1 329.488 3.343 50 0 EGAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCc3ccco3)c12 ZINC000005347403 452862444 /nfs/dbraw/zinc/86/24/44/452862444.db2.gz OSYJRUJQOGCWFX-UHFFFAOYSA-N 2 1 327.432 3.205 50 0 EGAAMP C[C@@H](C(=O)N1CCC[N@H+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000077539855 454119818 /nfs/dbraw/zinc/11/98/18/454119818.db2.gz YMGPYJQKLZYOLM-KRWDZBQOSA-N 2 1 349.544 3.047 50 0 EGAAMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000077539855 454119825 /nfs/dbraw/zinc/11/98/25/454119825.db2.gz YMGPYJQKLZYOLM-KRWDZBQOSA-N 2 1 349.544 3.047 50 0 EGAAMP CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862692 534956941 /nfs/dbraw/zinc/95/69/41/534956941.db2.gz ZXVPGERXZFEWML-FQEVSTJZSA-N 2 1 343.515 3.277 50 0 EGAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000214990895 536857954 /nfs/dbraw/zinc/85/79/54/536857954.db2.gz PJQBNBVYIHALME-UHFFFAOYSA-N 2 1 347.478 3.406 50 0 EGAAMP CCOC(=O)[C@@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342725 210175969 /nfs/dbraw/zinc/17/59/69/210175969.db2.gz XQKPAWKYOKHCKG-RTBURBONSA-N 2 1 342.483 3.069 50 0 EGAAMP CCOC(=O)[C@@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@H+]2CCC[C@H]12 ZINC000004342725 210175971 /nfs/dbraw/zinc/17/59/71/210175971.db2.gz XQKPAWKYOKHCKG-RTBURBONSA-N 2 1 342.483 3.069 50 0 EGAAMP CC1(C)CC([N@H+]2CCC[C@H](OCc3cccnc3)C2)CC(C)(C)[NH2+]1 ZINC000067965680 215263129 /nfs/dbraw/zinc/26/31/29/215263129.db2.gz LSLRTFMXGCNZLU-SFHVURJKSA-N 2 1 331.504 3.372 50 0 EGAAMP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(CC[NH3+])c1 ZINC000072421200 216209542 /nfs/dbraw/zinc/20/95/42/216209542.db2.gz BBZHTEUAYIAXTG-UHFFFAOYSA-N 2 1 338.430 3.145 50 0 EGAAMP CCOc1cc(CN(C)C[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1OC ZINC000215890229 241154943 /nfs/dbraw/zinc/15/49/43/241154943.db2.gz DFHDZGAOACQJBX-CYBMUJFWSA-N 2 1 326.868 3.131 50 0 EGAAMP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000095379551 218312624 /nfs/dbraw/zinc/31/26/24/218312624.db2.gz ABXBVHLWHBLOCR-INIZCTEOSA-N 2 1 332.492 3.044 50 0 EGAAMP Clc1cccc(-c2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000097259158 219006268 /nfs/dbraw/zinc/00/62/68/219006268.db2.gz BOXWOLYWPGNSNQ-QGZVFWFLSA-N 2 1 345.874 3.080 50 0 EGAAMP [NH3+]C[C@H]1CC[N@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953426 453660544 /nfs/dbraw/zinc/66/05/44/453660544.db2.gz QBYGIQHUJDCEQF-MRXNPFEDSA-N 2 1 325.456 3.196 50 0 EGAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000670453103 548218143 /nfs/dbraw/zinc/21/81/43/548218143.db2.gz SVNIAKDYPDHKMU-HNNXBMFYSA-N 2 1 346.906 3.488 50 0 EGAAMP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000055042302 214266497 /nfs/dbraw/zinc/26/64/97/214266497.db2.gz YASDNYAIVIAPFZ-LSDHHAIUSA-N 2 1 327.394 3.455 50 0 EGAAMP C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689187 215185794 /nfs/dbraw/zinc/18/57/94/215185794.db2.gz XYBSADBBVGAJNO-LJQANCHMSA-N 2 1 341.499 3.425 50 0 EGAAMP OC[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1C[NH+]1CCCC1 ZINC000091985586 218098243 /nfs/dbraw/zinc/09/82/43/218098243.db2.gz QJQFWWAJCUDJFH-IAGOWNOFSA-N 2 1 330.497 3.037 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095367745 218300213 /nfs/dbraw/zinc/30/02/13/218300213.db2.gz BCEUICNOLSIMBB-LJQANCHMSA-N 2 1 341.503 3.458 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095367745 218300216 /nfs/dbraw/zinc/30/02/16/218300216.db2.gz BCEUICNOLSIMBB-LJQANCHMSA-N 2 1 341.503 3.458 50 0 EGAAMP CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012702624 453393656 /nfs/dbraw/zinc/39/36/56/453393656.db2.gz GJERCFJYRRYSAL-SFHVURJKSA-N 2 1 335.536 3.022 50 0 EGAAMP Clc1ccc2c(c1)[nH+]ccc2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000077376915 454099567 /nfs/dbraw/zinc/09/95/67/454099567.db2.gz GUUYEHRHMROLFV-UHFFFAOYSA-N 2 1 345.874 3.437 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091365047 454430335 /nfs/dbraw/zinc/43/03/35/454430335.db2.gz FTLDKCHIXZKQDD-IAGOWNOFSA-N 2 1 330.497 3.017 50 0 EGAAMP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+]3CCCC[C@H]13)OCCCO2 ZINC000063847430 454454580 /nfs/dbraw/zinc/45/45/80/454454580.db2.gz ZSTIFRNYYACEMV-ZWKOTPCHSA-N 2 1 330.472 3.202 50 0 EGAAMP CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000218862619 534949594 /nfs/dbraw/zinc/94/95/94/534949594.db2.gz ZXVPGERXZFEWML-HXUWFJFHSA-N 2 1 343.515 3.277 50 0 EGAAMP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809998 1441417622 /nfs/dbraw/zinc/41/76/22/1441417622.db2.gz BTVDPPGQXRQPNI-UNMCSNQZSA-N 2 1 335.495 3.087 50 0 EGAAMP [NH3+]CCc1ccc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC000072134508 216023776 /nfs/dbraw/zinc/02/37/76/216023776.db2.gz GSUNOHZPWJULTL-UHFFFAOYSA-N 2 1 327.447 3.039 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091427275 218004240 /nfs/dbraw/zinc/00/42/40/218004240.db2.gz CAOSALGKDIALIF-UHFFFAOYSA-N 2 1 333.439 3.414 50 0 EGAAMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nccn2CC2CCC2)CC1 ZINC000091907991 218086681 /nfs/dbraw/zinc/08/66/81/218086681.db2.gz QYAHUUUZGFDJCE-UHFFFAOYSA-N 2 1 341.503 3.458 50 0 EGAAMP CCC[C@@H]1C[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C[C@H]1NC(C)=O ZINC000082100527 453923737 /nfs/dbraw/zinc/92/37/37/453923737.db2.gz UYHHXWKBBZSBDG-IEBWSBKVSA-N 2 1 349.544 3.081 50 0 EGAAMP COc1cc(OCc2ccccc2)ccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000097155871 454417318 /nfs/dbraw/zinc/41/73/18/454417318.db2.gz KRPVFJKGABBQDI-QGZVFWFLSA-N 2 1 326.440 3.055 50 0 EGAAMP COc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000097155871 454417324 /nfs/dbraw/zinc/41/73/24/454417324.db2.gz KRPVFJKGABBQDI-QGZVFWFLSA-N 2 1 326.440 3.055 50 0 EGAAMP COCC[N@@H+]1CCC[C@@H](CNc2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC000824413149 1320255962 /nfs/dbraw/zinc/25/59/62/1320255962.db2.gz KSELFYYUEUTNHS-INIZCTEOSA-N 2 1 343.471 3.322 50 0 EGAAMP COCC[N@H+]1CCC[C@@H](CNc2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC000824413149 1320255967 /nfs/dbraw/zinc/25/59/67/1320255967.db2.gz KSELFYYUEUTNHS-INIZCTEOSA-N 2 1 343.471 3.322 50 0 EGAAMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969741 1334626796 /nfs/dbraw/zinc/62/67/96/1334626796.db2.gz NAGKZFMIZRNWBC-CYBMUJFWSA-N 2 1 333.863 3.415 50 0 EGAAMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969741 1334626799 /nfs/dbraw/zinc/62/67/99/1334626799.db2.gz NAGKZFMIZRNWBC-CYBMUJFWSA-N 2 1 333.863 3.415 50 0 EGAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cnc(N2CCCC2)s1 ZINC000952984355 1334630715 /nfs/dbraw/zinc/63/07/15/1334630715.db2.gz ZQUGXYHQBNZPER-UHFFFAOYSA-N 2 1 333.505 3.243 50 0 EGAAMP Cc1ccc2c(C)cc(N[C@@H]3COC4(C3)CC[NH2+]CC4)[nH+]c2c1C ZINC001704326428 1416444586 /nfs/dbraw/zinc/44/45/86/1416444586.db2.gz WSUJBKDRBVSGHZ-INIZCTEOSA-N 2 1 325.456 3.483 50 0 EGAAMP CCc1[nH]c(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c(C)[nH+]1 ZINC000019790911 212067996 /nfs/dbraw/zinc/06/79/96/212067996.db2.gz SSBBLWPLOULJMU-IBGZPJMESA-N 2 1 340.515 3.419 50 0 EGAAMP CCc1[nH]c(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c(C)[nH+]1 ZINC000019790911 212067998 /nfs/dbraw/zinc/06/79/98/212067998.db2.gz SSBBLWPLOULJMU-IBGZPJMESA-N 2 1 340.515 3.419 50 0 EGAAMP CCc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091526886 218017864 /nfs/dbraw/zinc/01/78/64/218017864.db2.gz MDCSBTJAMICRHT-NHCUHLMSSA-N 2 1 330.516 3.165 50 0 EGAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091713008 218052340 /nfs/dbraw/zinc/05/23/40/218052340.db2.gz IGZBCMTWIQCPEL-UHFFFAOYSA-N 2 1 344.846 3.392 50 0 EGAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091713008 218052342 /nfs/dbraw/zinc/05/23/42/218052342.db2.gz IGZBCMTWIQCPEL-UHFFFAOYSA-N 2 1 344.846 3.392 50 0 EGAAMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000095358457 218291320 /nfs/dbraw/zinc/29/13/20/218291320.db2.gz GCHBEVIIHXHHSS-HXUWFJFHSA-N 2 1 343.515 3.163 50 0 EGAAMP [NH3+]CCc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000095386834 218319543 /nfs/dbraw/zinc/31/95/43/218319543.db2.gz XQJZAGYYOGHZDO-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP [NH3+]CCc1cccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000095386834 218319547 /nfs/dbraw/zinc/31/95/47/218319547.db2.gz XQJZAGYYOGHZDO-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP [NH3+]CCc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccc2)C3)c1 ZINC000095386834 218319549 /nfs/dbraw/zinc/31/95/49/218319549.db2.gz XQJZAGYYOGHZDO-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299796644 258101269 /nfs/dbraw/zinc/10/12/69/258101269.db2.gz NVROHKOKFFDYGI-LJQANCHMSA-N 2 1 339.483 3.135 50 0 EGAAMP CCc1cc(N2CCC([NH2+]CCc3ccc(C)o3)CC2)nc(C)[nH+]1 ZINC000095521419 454226808 /nfs/dbraw/zinc/22/68/08/454226808.db2.gz KTIZGMDVPYVFFL-UHFFFAOYSA-N 2 1 328.460 3.050 50 0 EGAAMP CC[N@H+](C)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091306080 454425067 /nfs/dbraw/zinc/42/50/67/454425067.db2.gz CBBIZKBUGGZZKV-HZPDHXFCSA-N 2 1 346.446 3.078 50 0 EGAAMP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091306080 454425070 /nfs/dbraw/zinc/42/50/70/454425070.db2.gz CBBIZKBUGGZZKV-HZPDHXFCSA-N 2 1 346.446 3.078 50 0 EGAAMP CC[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091306080 454425074 /nfs/dbraw/zinc/42/50/74/454425074.db2.gz CBBIZKBUGGZZKV-HZPDHXFCSA-N 2 1 346.446 3.078 50 0 EGAAMP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091306080 454425080 /nfs/dbraw/zinc/42/50/80/454425080.db2.gz CBBIZKBUGGZZKV-HZPDHXFCSA-N 2 1 346.446 3.078 50 0 EGAAMP CC1(C)CC([N@H+]2CC[C@H](CNC(=O)c3ccsc3)C2)CC(C)(C)[NH2+]1 ZINC000067834375 215225113 /nfs/dbraw/zinc/22/51/13/215225113.db2.gz UBTPTXKOJPWCST-CQSZACIVSA-N 2 1 349.544 3.109 50 0 EGAAMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250377 /nfs/dbraw/zinc/25/03/77/216250377.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 2 1 330.516 3.308 50 0 EGAAMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250380 /nfs/dbraw/zinc/25/03/80/216250380.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 2 1 330.516 3.308 50 0 EGAAMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250383 /nfs/dbraw/zinc/25/03/83/216250383.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 2 1 330.516 3.308 50 0 EGAAMP COCC[N@@H+](CC1CC1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012073064 211286532 /nfs/dbraw/zinc/28/65/32/211286532.db2.gz IVXFYDQUZOVQJM-UHFFFAOYSA-N 2 1 334.479 3.396 50 0 EGAAMP C[C@@H](C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)[NH+]1CCCC1 ZINC000011840176 211254737 /nfs/dbraw/zinc/25/47/37/211254737.db2.gz VSPGPDXWEFPFKD-INIZCTEOSA-N 2 1 340.471 3.433 50 0 EGAAMP CCn1ccnc1C[NH+]1CCC([C@@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000011663223 211229144 /nfs/dbraw/zinc/22/91/44/211229144.db2.gz JLWSICKMARLLOP-GOSISDBHSA-N 2 1 332.536 3.483 50 0 EGAAMP CCn1ccnc1C[NH+]1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000011663223 211229141 /nfs/dbraw/zinc/22/91/41/211229141.db2.gz JLWSICKMARLLOP-GOSISDBHSA-N 2 1 332.536 3.483 50 0 EGAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000097522643 219032229 /nfs/dbraw/zinc/03/22/29/219032229.db2.gz HSYIRWQSWBKVAO-FPOVZHCZSA-N 2 1 346.515 3.144 50 0 EGAAMP c1ccc(CC[NH+]2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000299790437 258096346 /nfs/dbraw/zinc/09/63/46/258096346.db2.gz BORNTARIDQJJRS-FCHUYYIVSA-N 2 1 341.543 3.111 50 0 EGAAMP CC(C)CCN(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000012701725 453392279 /nfs/dbraw/zinc/39/22/79/453392279.db2.gz SVIJTTUWHFSSCW-SFHVURJKSA-N 2 1 337.552 3.076 50 0 EGAAMP CC(=O)Nc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000065530370 454585012 /nfs/dbraw/zinc/58/50/12/454585012.db2.gz MSHKGFPZQVOCAR-UHFFFAOYSA-N 2 1 338.455 3.061 50 0 EGAAMP COCC[NH+]1CCC(C[N@@H+](CC=C(C)C)Cc2ccncc2)CC1 ZINC000012307676 1291132166 /nfs/dbraw/zinc/13/21/66/1291132166.db2.gz ZBMHEGWEDNNLBF-UHFFFAOYSA-N 2 1 331.504 3.208 50 0 EGAAMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCNc1ccc(C)c[nH+]1)CC2 ZINC000824751174 1320283062 /nfs/dbraw/zinc/28/30/62/1320283062.db2.gz YOKMJLAVSILFMB-SFHVURJKSA-N 2 1 325.456 3.348 50 0 EGAAMP CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cn1ccnc1C ZINC000822718129 1320116892 /nfs/dbraw/zinc/11/68/92/1320116892.db2.gz LWASAIRPFYXTRN-SFHVURJKSA-N 2 1 340.471 3.443 50 0 EGAAMP CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000822718129 1320116898 /nfs/dbraw/zinc/11/68/98/1320116898.db2.gz LWASAIRPFYXTRN-SFHVURJKSA-N 2 1 340.471 3.443 50 0 EGAAMP CC[N@@H+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CCCC1 ZINC000097785144 219056820 /nfs/dbraw/zinc/05/68/20/219056820.db2.gz SDUOQRUSCUIHSG-UHFFFAOYSA-N 2 1 343.515 3.277 50 0 EGAAMP CCOc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)CC2)cc1CO ZINC000067434595 215145580 /nfs/dbraw/zinc/14/55/80/215145580.db2.gz WTEWYYGCHQPDFP-UHFFFAOYSA-N 2 1 346.515 3.276 50 0 EGAAMP CC1(C)CC([N@H+]2CC[C@@H](CNC(=O)c3ccsc3)C2)CC(C)(C)[NH2+]1 ZINC000067834376 215224403 /nfs/dbraw/zinc/22/44/03/215224403.db2.gz UBTPTXKOJPWCST-AWEZNQCLSA-N 2 1 349.544 3.109 50 0 EGAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152387 216041046 /nfs/dbraw/zinc/04/10/46/216041046.db2.gz GPAPYYIPRUMVQR-HXUWFJFHSA-N 2 1 328.456 3.225 50 0 EGAAMP c1c[nH]c([C@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000244874238 243091683 /nfs/dbraw/zinc/09/16/83/243091683.db2.gz WXBXTJLKGCBEHJ-INIZCTEOSA-N 2 1 330.501 3.447 50 0 EGAAMP C[N@@H+](C[C@@H]1CCOC1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012386106 211365479 /nfs/dbraw/zinc/36/54/79/211365479.db2.gz KOGFYCDIOQOHME-IBGZPJMESA-N 2 1 334.479 3.049 50 0 EGAAMP c1c[nH]c(C[N@@H+]2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316690 211343678 /nfs/dbraw/zinc/34/36/78/211343678.db2.gz PVUIYDYLOROCKG-HXUWFJFHSA-N 2 1 338.499 3.186 50 0 EGAAMP CCn1ccnc1C[NH+]1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000011663224 211229839 /nfs/dbraw/zinc/22/98/39/211229839.db2.gz JLWSICKMARLLOP-SFHVURJKSA-N 2 1 332.536 3.483 50 0 EGAAMP CCn1ccnc1C[NH+]1CCC([C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000011663224 211229841 /nfs/dbraw/zinc/22/98/41/211229841.db2.gz JLWSICKMARLLOP-SFHVURJKSA-N 2 1 332.536 3.483 50 0 EGAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000095375750 218309416 /nfs/dbraw/zinc/30/94/16/218309416.db2.gz VTWFZNJUDQHZLR-SFHVURJKSA-N 2 1 340.471 3.061 50 0 EGAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000095375750 218309417 /nfs/dbraw/zinc/30/94/17/218309417.db2.gz VTWFZNJUDQHZLR-SFHVURJKSA-N 2 1 340.471 3.061 50 0 EGAAMP CC[N@@H+](Cc1ccc(OC)c(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000097730259 285101241 /nfs/dbraw/zinc/10/12/41/285101241.db2.gz QOPPTWMBNOIDDZ-UHFFFAOYSA-N 2 1 332.488 3.292 50 0 EGAAMP CCC(CC)C[N@H+]1CCOc2ccc([C@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997068 453339233 /nfs/dbraw/zinc/33/92/33/453339233.db2.gz NYRMWBQOQUEFKV-HXUWFJFHSA-N 2 1 334.504 3.086 50 0 EGAAMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591908 453379259 /nfs/dbraw/zinc/37/92/59/453379259.db2.gz LVPGFQHGXRMEAV-QFIPXVFZSA-N 2 1 341.543 3.377 50 0 EGAAMP Cc1nn(CC[NH+]2CCCC2)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000065453627 454569699 /nfs/dbraw/zinc/56/96/99/454569699.db2.gz CMJXKJFKSDNHQN-FQEVSTJZSA-N 2 1 339.487 3.019 50 0 EGAAMP COc1cccc(N2CCC([NH2+]CC3([NH+](C)C)CCCC3)CC2)c1 ZINC000534649200 459341373 /nfs/dbraw/zinc/34/13/73/459341373.db2.gz DPWVQVZNDHFVJX-UHFFFAOYSA-N 2 1 331.504 3.128 50 0 EGAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3cc4ccccc4[nH]c3=O)C[C@@H]2C1 ZINC001704352440 1416453322 /nfs/dbraw/zinc/45/33/22/1416453322.db2.gz YBZQFAIMEQPKIG-AMBYYYRHSA-N 2 1 339.483 3.491 50 0 EGAAMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813016 213050249 /nfs/dbraw/zinc/05/02/49/213050249.db2.gz DYXAUOVESIOYIU-QFIPXVFZSA-N 2 1 335.495 3.175 50 0 EGAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813016 213050253 /nfs/dbraw/zinc/05/02/53/213050253.db2.gz DYXAUOVESIOYIU-QFIPXVFZSA-N 2 1 335.495 3.175 50 0 EGAAMP CCC(CC)C[N@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000011997065 211277455 /nfs/dbraw/zinc/27/74/55/211277455.db2.gz NYRMWBQOQUEFKV-FQEVSTJZSA-N 2 1 334.504 3.086 50 0 EGAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(CO)o3)CC2)o1 ZINC000011814549 211249874 /nfs/dbraw/zinc/24/98/74/211249874.db2.gz YBUQCKFKTQGPIT-UHFFFAOYSA-N 2 1 332.444 3.017 50 0 EGAAMP OCCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095379606 218312451 /nfs/dbraw/zinc/31/24/51/218312451.db2.gz ABWKGFSZELJQMY-IBGZPJMESA-N 2 1 328.500 3.103 50 0 EGAAMP OCCC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095379605 218312454 /nfs/dbraw/zinc/31/24/54/218312454.db2.gz ABWKGFSZELJQMY-LJQANCHMSA-N 2 1 328.500 3.103 50 0 EGAAMP COc1cccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000055154107 132194371 /nfs/dbraw/zinc/19/43/71/132194371.db2.gz XCLBPGNMUDWWEF-GHTZIAJQSA-N 2 1 343.515 3.082 50 0 EGAAMP COc1cccc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000055154107 132194373 /nfs/dbraw/zinc/19/43/73/132194373.db2.gz XCLBPGNMUDWWEF-GHTZIAJQSA-N 2 1 343.515 3.082 50 0 EGAAMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCCC[NH+](C)C ZINC000001916107 452681779 /nfs/dbraw/zinc/68/17/79/452681779.db2.gz LMUYWIWNNMDOGM-UHFFFAOYSA-N 2 1 329.444 3.392 50 0 EGAAMP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000091461288 454438916 /nfs/dbraw/zinc/43/89/16/454438916.db2.gz AAIZVPCQHYTHAO-MOPGFXCFSA-N 2 1 338.495 3.346 50 0 EGAAMP Cc1cc(C)n(CC[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000670440756 548216271 /nfs/dbraw/zinc/21/62/71/548216271.db2.gz IUILVFVPRRMXGI-UHFFFAOYSA-N 2 1 332.517 3.289 50 0 EGAAMP CC(C)[C@H]([NH3+])c1nc(COc2cccc(F)c2)nn1-c1cc[nH+]cc1 ZINC000952872133 1334584539 /nfs/dbraw/zinc/58/45/39/1334584539.db2.gz KMOIDDGFXSGTKQ-KRWDZBQOSA-N 2 1 341.390 3.036 50 0 EGAAMP Cc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809996 1441417619 /nfs/dbraw/zinc/41/76/19/1441417619.db2.gz BTVDPPGQXRQPNI-IRLDBZIGSA-N 2 1 335.495 3.087 50 0 EGAAMP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000053946051 214208168 /nfs/dbraw/zinc/20/81/68/214208168.db2.gz LIDVPOLQPUZSJF-UHFFFAOYSA-N 2 1 328.460 3.048 50 0 EGAAMP C[N@H+]1CCCC2(CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)CC1 ZINC000067654316 215174939 /nfs/dbraw/zinc/17/49/39/215174939.db2.gz FRRFUBAXAFJFEZ-UHFFFAOYSA-N 2 1 345.531 3.442 50 0 EGAAMP Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000244602002 243043634 /nfs/dbraw/zinc/04/36/34/243043634.db2.gz DVXGNXVLXBAWSB-LJQANCHMSA-N 2 1 326.488 3.405 50 0 EGAAMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(F)cc1 ZINC000095359030 218292434 /nfs/dbraw/zinc/29/24/34/218292434.db2.gz SYSLRSGODKOTND-GOSISDBHSA-N 2 1 349.494 3.199 50 0 EGAAMP Fc1cccc([C@@]2(C[NH+]3CCC([NH+]4CCCC4)CC3)CCOC2)c1 ZINC000019227360 453654865 /nfs/dbraw/zinc/65/48/65/453654865.db2.gz ISJCJNUFDJTTKK-HXUWFJFHSA-N 2 1 332.463 3.044 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2ccc(Cl)cn2)CC1 ZINC000095531152 454228926 /nfs/dbraw/zinc/22/89/26/454228926.db2.gz DOIIIRZCNIKQFU-UHFFFAOYSA-N 2 1 347.894 3.267 50 0 EGAAMP CC(C)C/C=C(\C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000215532279 456025867 /nfs/dbraw/zinc/02/58/67/456025867.db2.gz DILTXDVQQGZZAP-IIKPXAABSA-N 2 1 341.543 3.438 50 0 EGAAMP CC(C)C/C=C(\C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000215532279 456025872 /nfs/dbraw/zinc/02/58/72/456025872.db2.gz DILTXDVQQGZZAP-IIKPXAABSA-N 2 1 341.543 3.438 50 0 EGAAMP COc1ncc(C[NH+]2CCC([C@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587566 1291132779 /nfs/dbraw/zinc/13/27/79/1291132779.db2.gz AKOHVNPJCMNJOO-SFHVURJKSA-N 2 1 346.519 3.065 50 0 EGAAMP COc1ncc(C[NH+]2CCC([C@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587566 1291132785 /nfs/dbraw/zinc/13/27/85/1291132785.db2.gz AKOHVNPJCMNJOO-SFHVURJKSA-N 2 1 346.519 3.065 50 0 EGAAMP Cc1[nH+]ccn1CCC1CC[NH+](CCn2cnc3ccccc32)CC1 ZINC000019720325 1291193402 /nfs/dbraw/zinc/19/34/02/1291193402.db2.gz SBKRLQMTKFZNCL-UHFFFAOYSA-N 2 1 337.471 3.344 50 0 EGAAMP CCn1cncc1C[NH+]1CCC([C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000019743533 1291193728 /nfs/dbraw/zinc/19/37/28/1291193728.db2.gz RFALVZXAAZESIM-SFHVURJKSA-N 2 1 332.536 3.483 50 0 EGAAMP C[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208289 /nfs/dbraw/zinc/20/82/89/1320208289.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 1 337.467 3.329 50 0 EGAAMP CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208292 /nfs/dbraw/zinc/20/82/92/1320208292.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 1 337.467 3.329 50 0 EGAAMP CN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000823806262 1320208297 /nfs/dbraw/zinc/20/82/97/1320208297.db2.gz OHGBAHDHZURICW-UXHICEINSA-N 2 1 337.467 3.329 50 0 EGAAMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969758 1334626938 /nfs/dbraw/zinc/62/69/38/1334626938.db2.gz NAGKZFMIZRNWBC-ZDUSSCGKSA-N 2 1 333.863 3.415 50 0 EGAAMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969758 1334626940 /nfs/dbraw/zinc/62/69/40/1334626940.db2.gz NAGKZFMIZRNWBC-ZDUSSCGKSA-N 2 1 333.863 3.415 50 0 EGAAMP OC1CC[NH+](C2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)CC1 ZINC000095374023 218306344 /nfs/dbraw/zinc/30/63/44/218306344.db2.gz DXUKSCYTQKWHKR-UHFFFAOYSA-N 2 1 345.874 3.314 50 0 EGAAMP CCCCc1ccc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)s1 ZINC000067965255 453984674 /nfs/dbraw/zinc/98/46/74/453984674.db2.gz OBBNSLWJOHFMBZ-UHFFFAOYSA-N 2 1 335.561 3.303 50 0 EGAAMP CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)C1 ZINC000685942136 550456481 /nfs/dbraw/zinc/45/64/81/550456481.db2.gz GFKZEWIHLSUDGR-RDJZCZTQSA-N 2 1 341.455 3.219 50 0 EGAAMP C[N@@H+](CCCNC(=O)C1([NH+]2CCCC2)CCCCC1)C1CCCC1 ZINC000952861247 1334582858 /nfs/dbraw/zinc/58/28/58/1334582858.db2.gz YRJDXYORXWSCFX-UHFFFAOYSA-N 2 1 335.536 3.166 50 0 EGAAMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(CCC(C)(C)O)cc3)C2)CC1 ZINC000072462828 216245552 /nfs/dbraw/zinc/24/55/52/216245552.db2.gz QFWBVVBLMLIEHB-UHFFFAOYSA-N 2 1 330.516 3.308 50 0 EGAAMP COC[C@H]1CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215799724 241148339 /nfs/dbraw/zinc/14/83/39/241148339.db2.gz SYKSKLMVLFEPPN-SFHVURJKSA-N 2 1 332.488 3.020 50 0 EGAAMP CCSc1ncc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000216530108 241202484 /nfs/dbraw/zinc/20/24/84/241202484.db2.gz XLRRGLGZNNRBIJ-UHFFFAOYSA-N 2 1 343.500 3.004 50 0 EGAAMP CCSc1ncc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000216530108 241202490 /nfs/dbraw/zinc/20/24/90/241202490.db2.gz XLRRGLGZNNRBIJ-UHFFFAOYSA-N 2 1 343.500 3.004 50 0 EGAAMP Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)C[N@H+](C)CCN4C)c2c1 ZINC000067725180 453961095 /nfs/dbraw/zinc/96/10/95/453961095.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 2 1 338.499 3.068 50 0 EGAAMP Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)CN(C)CC[N@@H+]4C)c2c1 ZINC000067725180 453961097 /nfs/dbraw/zinc/96/10/97/453961097.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 2 1 338.499 3.068 50 0 EGAAMP Cc1cc(C)c2[nH+]ccc(N3CCC4(CC3)CN(C)CC[N@H+]4C)c2c1 ZINC000067725180 453961099 /nfs/dbraw/zinc/96/10/99/453961099.db2.gz VOLRFKWBKROTMS-UHFFFAOYSA-N 2 1 338.499 3.068 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000095509820 454224997 /nfs/dbraw/zinc/22/49/97/454224997.db2.gz SFMYWPAHGHAONY-UHFFFAOYSA-N 2 1 333.439 3.414 50 0 EGAAMP Cc1cc(C)n(-c2ccc(F)cc2C[N@H+](C)CCn2cc[nH+]c2C)n1 ZINC000216472950 241194599 /nfs/dbraw/zinc/19/45/99/241194599.db2.gz GQIORLYGPMEBPK-UHFFFAOYSA-N 2 1 341.434 3.265 50 0 EGAAMP Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+](C)CCn2cc[nH+]c2C)n1 ZINC000216472950 241194605 /nfs/dbraw/zinc/19/46/05/241194605.db2.gz GQIORLYGPMEBPK-UHFFFAOYSA-N 2 1 341.434 3.265 50 0 EGAAMP CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)CC[NH+]1CCCCCCC1 ZINC000219292645 241375068 /nfs/dbraw/zinc/37/50/68/241375068.db2.gz OBMCPKNBPPDKHR-UHFFFAOYSA-N 2 1 343.515 3.247 50 0 EGAAMP CC(C)C[N@H+]1CCC[C@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011787934 211247530 /nfs/dbraw/zinc/24/75/30/211247530.db2.gz WOORULRDIGMUBI-KRWDZBQOSA-N 2 1 348.560 3.500 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1CO ZINC000091474132 218011052 /nfs/dbraw/zinc/01/10/52/218011052.db2.gz RBEZXVSOFZROKE-RTBURBONSA-N 2 1 340.467 3.081 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1CO ZINC000091474132 218011054 /nfs/dbraw/zinc/01/10/54/218011054.db2.gz RBEZXVSOFZROKE-RTBURBONSA-N 2 1 340.467 3.081 50 0 EGAAMP COc1ccc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)cc1C[NH+]1CCCC1 ZINC000091965114 218096322 /nfs/dbraw/zinc/09/63/22/218096322.db2.gz HHNQVWHDTCVXNI-NRFANRHFSA-N 2 1 346.515 3.274 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000095526376 454227460 /nfs/dbraw/zinc/22/74/60/454227460.db2.gz LNYGAHIPLYUVFA-UHFFFAOYSA-N 2 1 333.439 3.414 50 0 EGAAMP CCc1cc(N2CCC([NH2+]CCc3ccccc3F)CC2)nc(C)[nH+]1 ZINC000095523631 454227836 /nfs/dbraw/zinc/22/78/36/454227836.db2.gz RHXVRWHQNSSLGG-UHFFFAOYSA-N 2 1 342.462 3.288 50 0 EGAAMP CC(C)c1[nH+]ccn1CCCNC(=O)C1([NH+]2CCCC2)CCCCC1 ZINC000222321873 456046577 /nfs/dbraw/zinc/04/65/77/456046577.db2.gz SOQMHPSEQPYOQU-UHFFFAOYSA-N 2 1 346.519 3.312 50 0 EGAAMP Cc1cc2c(cc1C[N@H+](C)[C@H]1C[C@H]3C[C@@H]([NH+](C)C)C[C@H]3C1)OCCO2 ZINC001704315838 1416440013 /nfs/dbraw/zinc/44/00/13/1416440013.db2.gz WQDBTSTUJYZHBV-AMBYYYRHSA-N 2 1 344.499 3.317 50 0 EGAAMP Cc1ccc(-c2nc3sccn3c2C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000067741954 215201165 /nfs/dbraw/zinc/20/11/65/215201165.db2.gz CSHRMTVCQGZKBK-AWEZNQCLSA-N 2 1 326.469 3.152 50 0 EGAAMP Cc1ccc(-c2nc3sccn3c2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000067741954 215201166 /nfs/dbraw/zinc/20/11/66/215201166.db2.gz CSHRMTVCQGZKBK-AWEZNQCLSA-N 2 1 326.469 3.152 50 0 EGAAMP CC(C)[N@H+]1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@@H]1C ZINC000020560677 212147929 /nfs/dbraw/zinc/14/79/29/212147929.db2.gz VMGXSAFRVRDTRG-IBGZPJMESA-N 2 1 329.532 3.281 50 0 EGAAMP c1c[nH]c(C[N@@H+]2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316691 211343632 /nfs/dbraw/zinc/34/36/32/211343632.db2.gz PVUIYDYLOROCKG-FQEVSTJZSA-N 2 1 338.499 3.186 50 0 EGAAMP CN(C(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000012028525 211281309 /nfs/dbraw/zinc/28/13/09/211281309.db2.gz OWOOHLJCWIWWID-QGZVFWFLSA-N 2 1 337.552 3.077 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095367743 218299829 /nfs/dbraw/zinc/29/98/29/218299829.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 2 1 341.503 3.458 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095367743 218299831 /nfs/dbraw/zinc/29/98/31/218299831.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 2 1 341.503 3.458 50 0 EGAAMP CC(C)c1[nH+]ccn1CCCNC(=O)CC1CC[NH+](C(C)C)CC1 ZINC000095388502 218320301 /nfs/dbraw/zinc/32/03/01/218320301.db2.gz SGTNGUDNULIVHB-UHFFFAOYSA-N 2 1 334.508 3.023 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505834 454115251 /nfs/dbraw/zinc/11/52/51/454115251.db2.gz NPXDSLAKLSAYRM-SFHVURJKSA-N 2 1 327.476 3.097 50 0 EGAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505834 454115254 /nfs/dbraw/zinc/11/52/54/454115254.db2.gz NPXDSLAKLSAYRM-SFHVURJKSA-N 2 1 327.476 3.097 50 0 EGAAMP Cc1ccc(C2(C[N@@H+](C)Cc3cc(C(C)C)on3)CC[NH2+]CC2)nc1 ZINC000065380340 454556189 /nfs/dbraw/zinc/55/61/89/454556189.db2.gz IFKBLFAJPURJNT-UHFFFAOYSA-N 2 1 342.487 3.255 50 0 EGAAMP Cc1ccc(C2(C[N@H+](C)Cc3cc(C(C)C)on3)CC[NH2+]CC2)nc1 ZINC000065380340 454556196 /nfs/dbraw/zinc/55/61/96/454556196.db2.gz IFKBLFAJPURJNT-UHFFFAOYSA-N 2 1 342.487 3.255 50 0 EGAAMP CC[C@@]1(O)CCC[N@@H+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)C1 ZINC000215732820 456026685 /nfs/dbraw/zinc/02/66/85/456026685.db2.gz TYDBIMKCHZQPHE-HXUWFJFHSA-N 2 1 332.488 3.028 50 0 EGAAMP CCc1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952978134 1334629056 /nfs/dbraw/zinc/62/90/56/1334629056.db2.gz KCEITLJSCPTDHK-UHFFFAOYSA-N 2 1 326.444 3.070 50 0 EGAAMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072409499 216201235 /nfs/dbraw/zinc/20/12/35/216201235.db2.gz KLWZWXLDHFHZTM-UHFFFAOYSA-N 2 1 330.516 3.308 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244659684 243050253 /nfs/dbraw/zinc/05/02/53/243050253.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 2 1 331.851 3.286 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244659684 243050259 /nfs/dbraw/zinc/05/02/59/243050259.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 2 1 331.851 3.286 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095374740 218307456 /nfs/dbraw/zinc/30/74/56/218307456.db2.gz JHZWJWDZTDLZQI-KRWDZBQOSA-N 2 1 333.439 3.414 50 0 EGAAMP COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1C[NH+]1CCCC1 ZINC000216350420 274108190 /nfs/dbraw/zinc/10/81/90/274108190.db2.gz XEYBVQITTVBTGP-LJQANCHMSA-N 2 1 332.488 3.292 50 0 EGAAMP CCn1ccc2ccc(C[N@@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470597 454109916 /nfs/dbraw/zinc/10/99/16/454109916.db2.gz QPZXEYUZIIMYGA-NRFANRHFSA-N 2 1 341.499 3.084 50 0 EGAAMP CCn1ccc2ccc(C[N@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470597 454109920 /nfs/dbraw/zinc/10/99/20/454109920.db2.gz QPZXEYUZIIMYGA-NRFANRHFSA-N 2 1 341.499 3.084 50 0 EGAAMP CCn1ccc2ccc(C[N@@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470598 454110142 /nfs/dbraw/zinc/11/01/42/454110142.db2.gz QPZXEYUZIIMYGA-OAQYLSRUSA-N 2 1 341.499 3.084 50 0 EGAAMP CCn1ccc2ccc(C[N@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)cc21 ZINC000077470598 454110146 /nfs/dbraw/zinc/11/01/46/454110146.db2.gz QPZXEYUZIIMYGA-OAQYLSRUSA-N 2 1 341.499 3.084 50 0 EGAAMP CCC[C@@H](C)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000048445017 454489924 /nfs/dbraw/zinc/48/99/24/454489924.db2.gz IBCPJDBLTFUWFF-QGZVFWFLSA-N 2 1 333.524 3.480 50 0 EGAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000584896741 459820795 /nfs/dbraw/zinc/82/07/95/459820795.db2.gz YCHZIFNOYDIXKT-CQSZACIVSA-N 2 1 339.443 3.023 50 0 EGAAMP CC[C@H]1C=CC[N@H+]1Cc1cc(C)cc(CN2CC[NH+](C)CC2)c1C ZINC000952964752 1334626008 /nfs/dbraw/zinc/62/60/08/1334626008.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 2 1 327.516 3.201 50 0 EGAAMP CC[C@H]1C=CC[N@@H+]1Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000952964752 1334626010 /nfs/dbraw/zinc/62/60/10/1334626010.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 2 1 327.516 3.201 50 0 EGAAMP CC[C@H]1C=CC[N@H+]1Cc1cc(C)cc(C[NH+]2CCN(C)CC2)c1C ZINC000952964752 1334626013 /nfs/dbraw/zinc/62/60/13/1334626013.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 2 1 327.516 3.201 50 0 EGAAMP Cc1ncsc1C[N@@H+]1C[C@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712330 1441417246 /nfs/dbraw/zinc/41/72/46/1441417246.db2.gz PAQRJWBDORCUHU-IEBWSBKVSA-N 2 1 327.497 3.106 50 0 EGAAMP Cc1ncsc1C[N@H+]1C[C@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712330 1441417247 /nfs/dbraw/zinc/41/72/47/1441417247.db2.gz PAQRJWBDORCUHU-IEBWSBKVSA-N 2 1 327.497 3.106 50 0 EGAAMP CSc1cccc(C[N@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997387 202060834 /nfs/dbraw/zinc/06/08/34/202060834.db2.gz OGSQZKYKKRDDKY-SFHVURJKSA-N 2 1 335.561 3.256 50 0 EGAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)CC1 ZINC000072152386 203172788 /nfs/dbraw/zinc/17/27/88/203172788.db2.gz GPAPYYIPRUMVQR-FQEVSTJZSA-N 2 1 328.456 3.225 50 0 EGAAMP Cc1[nH+]c(CN2CCC[N@@H+](Cc3cccs3)CC2)c2ccccn12 ZINC000072165068 203178619 /nfs/dbraw/zinc/17/86/19/203178619.db2.gz MKXVEQWNLCNVGG-UHFFFAOYSA-N 2 1 340.496 3.412 50 0 EGAAMP Cc1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)on1 ZINC000072480739 203233476 /nfs/dbraw/zinc/23/34/76/203233476.db2.gz OLJVDZVVKRJOFC-UHFFFAOYSA-N 2 1 326.444 3.321 50 0 EGAAMP Cc1cc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)on1 ZINC000072480739 203233480 /nfs/dbraw/zinc/23/34/80/203233480.db2.gz OLJVDZVVKRJOFC-UHFFFAOYSA-N 2 1 326.444 3.321 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ncccc2Cl)C1 ZINC000095355501 454197220 /nfs/dbraw/zinc/19/72/20/454197220.db2.gz RHFHRAUMOYQDIB-HNNXBMFYSA-N 2 1 347.894 3.267 50 0 EGAAMP Cc1ccc2ccccc2c1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000091416431 454432924 /nfs/dbraw/zinc/43/29/24/454432924.db2.gz ISTQTPWUSLRZCH-WOJBJXKFSA-N 2 1 338.495 3.284 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccc(C3CCCCC3)s2)C[C@@H]1CO ZINC000091563443 454446020 /nfs/dbraw/zinc/44/60/20/454446020.db2.gz IKKJRWPFQUBZTL-IAGOWNOFSA-N 2 1 336.545 3.398 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)s2)C[C@@H]1CO ZINC000091563443 454446026 /nfs/dbraw/zinc/44/60/26/454446026.db2.gz IKKJRWPFQUBZTL-IAGOWNOFSA-N 2 1 336.545 3.398 50 0 EGAAMP C[C@H](c1cccc(C[N@@H+](CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472132 456039952 /nfs/dbraw/zinc/03/99/52/456039952.db2.gz PHNMRFFDKSFMSS-MRXNPFEDSA-N 2 1 330.447 3.443 50 0 EGAAMP Cc1[nH+]cn(CC[NH2+]C2CCN(c3ccc(F)cc3C)CC2)c1C ZINC000670434956 548215883 /nfs/dbraw/zinc/21/58/83/548215883.db2.gz JSJURJOALIVTBT-UHFFFAOYSA-N 2 1 330.451 3.206 50 0 EGAAMP C[N@@H+](C[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067695542 1292169458 /nfs/dbraw/zinc/16/94/58/1292169458.db2.gz ZWENKWBNPXBAET-KRWDZBQOSA-N 2 1 347.547 3.022 50 0 EGAAMP Cc1ncsc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712332 1441417227 /nfs/dbraw/zinc/41/72/27/1441417227.db2.gz PAQRJWBDORCUHU-PKOBYXMFSA-N 2 1 327.497 3.106 50 0 EGAAMP Cc1ncsc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(CCc2ccccc2)C1 ZINC001772712332 1441417228 /nfs/dbraw/zinc/41/72/28/1441417228.db2.gz PAQRJWBDORCUHU-PKOBYXMFSA-N 2 1 327.497 3.106 50 0 EGAAMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813014 202311105 /nfs/dbraw/zinc/31/11/05/202311105.db2.gz DYXAUOVESIOYIU-JOCHJYFZSA-N 2 1 335.495 3.175 50 0 EGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813014 202311107 /nfs/dbraw/zinc/31/11/07/202311107.db2.gz DYXAUOVESIOYIU-JOCHJYFZSA-N 2 1 335.495 3.175 50 0 EGAAMP CCc1nccc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000216490173 241199328 /nfs/dbraw/zinc/19/93/28/241199328.db2.gz VEAYQACMQJDBEY-UHFFFAOYSA-N 2 1 338.499 3.383 50 0 EGAAMP O[C@@]1(C[NH+]2CCCCC2)CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000077286522 203376535 /nfs/dbraw/zinc/37/65/35/203376535.db2.gz PWPYYUYLQLAJSE-LJQANCHMSA-N 2 1 345.874 3.315 50 0 EGAAMP C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCC[NH+]2CCCC2)c1 ZINC000095523852 287275785 /nfs/dbraw/zinc/27/57/85/287275785.db2.gz AGLPWZSJDDXOHQ-QGZVFWFLSA-N 2 1 344.503 3.278 50 0 EGAAMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cc1F ZINC000244811341 455277096 /nfs/dbraw/zinc/27/70/96/455277096.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 2 1 335.467 3.125 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cc1F ZINC000244811341 455277099 /nfs/dbraw/zinc/27/70/99/455277099.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 2 1 335.467 3.125 50 0 EGAAMP CCOC(=O)[C@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342726 452800132 /nfs/dbraw/zinc/80/01/32/452800132.db2.gz XQKPAWKYOKHCKG-RBUKOAKNSA-N 2 1 342.483 3.069 50 0 EGAAMP CCOC(=O)[C@H]1CC2(CC[NH+](Cc3ccccc3)CC2)[N@H+]2CCC[C@H]12 ZINC000004342726 452800143 /nfs/dbraw/zinc/80/01/43/452800143.db2.gz XQKPAWKYOKHCKG-RBUKOAKNSA-N 2 1 342.483 3.069 50 0 EGAAMP Cc1cc(C)n(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)n1 ZINC000014957275 453549639 /nfs/dbraw/zinc/54/96/39/453549639.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 2 1 344.547 3.478 50 0 EGAAMP Cc1cc(C)n(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)n1 ZINC000014957275 453549642 /nfs/dbraw/zinc/54/96/42/453549642.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 2 1 344.547 3.478 50 0 EGAAMP Cc1cc(C)n(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)n1 ZINC000014957275 453549644 /nfs/dbraw/zinc/54/96/44/453549644.db2.gz NLIRDXXEGDWVRM-NRFANRHFSA-N 2 1 344.547 3.478 50 0 EGAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554297 /nfs/dbraw/zinc/55/42/97/453554297.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554298 /nfs/dbraw/zinc/55/42/98/453554298.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554301 /nfs/dbraw/zinc/55/43/01/453554301.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554304 /nfs/dbraw/zinc/55/43/04/453554304.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 2 1 339.483 3.169 50 0 EGAAMP C[NH+]1CCN([C@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797544 454445795 /nfs/dbraw/zinc/44/57/95/454445795.db2.gz LGVYQQFDAHBXSO-QFIPXVFZSA-N 2 1 349.522 3.140 50 0 EGAAMP C[NH+]1CCN([C@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797544 454445800 /nfs/dbraw/zinc/44/58/00/454445800.db2.gz LGVYQQFDAHBXSO-QFIPXVFZSA-N 2 1 349.522 3.140 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091644531 454454360 /nfs/dbraw/zinc/45/43/60/454454360.db2.gz QSJVMHGQNLKXRP-IAGOWNOFSA-N 2 1 338.451 3.188 50 0 EGAAMP CCn1c(C[N@@H+]2CCCC3(CCCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252536528 455820494 /nfs/dbraw/zinc/82/04/94/455820494.db2.gz IURRFKVCGNLKPN-WKILWMFISA-N 2 1 331.508 3.049 50 0 EGAAMP CCn1c(C[N@H+]2CCCC3(CCCCC3)C2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252536528 455820500 /nfs/dbraw/zinc/82/05/00/455820500.db2.gz IURRFKVCGNLKPN-WKILWMFISA-N 2 1 331.508 3.049 50 0 EGAAMP COCC[N@@H+]1CCC[C@H](CNc2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC000824413150 1320256130 /nfs/dbraw/zinc/25/61/30/1320256130.db2.gz KSELFYYUEUTNHS-MRXNPFEDSA-N 2 1 343.471 3.322 50 0 EGAAMP COCC[N@H+]1CCC[C@H](CNc2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC000824413150 1320256133 /nfs/dbraw/zinc/25/61/33/1320256133.db2.gz KSELFYYUEUTNHS-MRXNPFEDSA-N 2 1 343.471 3.322 50 0 EGAAMP C[N@@H+](C[C@H](O)COc1ccccc1C[NH2+]C1CCC1)C1CCCCC1 ZINC000012459527 202145159 /nfs/dbraw/zinc/14/51/59/202145159.db2.gz FKQWGJDMBUMQBA-FQEVSTJZSA-N 2 1 346.515 3.333 50 0 EGAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000243892325 258000617 /nfs/dbraw/zinc/00/06/17/258000617.db2.gz AFYJEUWEIPDGDN-CHKJKVEQSA-N 2 1 339.527 3.066 50 0 EGAAMP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004859448 452821316 /nfs/dbraw/zinc/82/13/16/452821316.db2.gz VTZLVAXMWLFFNO-UWVAXJGDSA-N 2 1 334.504 3.045 50 0 EGAAMP [NH3+]CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)cc1 ZINC000095358807 454197083 /nfs/dbraw/zinc/19/70/83/454197083.db2.gz QWPNZZOKVQRTRQ-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP [NH3+]CCc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc1 ZINC000095358807 454197088 /nfs/dbraw/zinc/19/70/88/454197088.db2.gz QWPNZZOKVQRTRQ-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP [NH3+]CCc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000095358807 454197090 /nfs/dbraw/zinc/19/70/90/454197090.db2.gz QWPNZZOKVQRTRQ-XZOQPEGZSA-N 2 1 349.522 3.284 50 0 EGAAMP Cc1nn(C)c(C)c1C[N@H+](Cc1cc(C[NH+](C)C)cs1)C1CC1 ZINC000220199972 456038680 /nfs/dbraw/zinc/03/86/80/456038680.db2.gz QZDPJDMJTPGOEF-UHFFFAOYSA-N 2 1 332.517 3.325 50 0 EGAAMP Cc1nn(C)c(C)c1C[N@@H+](Cc1cc(C[NH+](C)C)cs1)C1CC1 ZINC000220199972 456038686 /nfs/dbraw/zinc/03/86/86/456038686.db2.gz QZDPJDMJTPGOEF-UHFFFAOYSA-N 2 1 332.517 3.325 50 0 EGAAMP Cc1[nH+]ccn1CC[N@@H+](C)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000299783980 456780744 /nfs/dbraw/zinc/78/07/44/456780744.db2.gz HHZWLBXQONQTMA-UHFFFAOYSA-N 2 1 334.851 3.114 50 0 EGAAMP Cc1[nH+]ccn1CC[N@H+](C)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000299783980 456780749 /nfs/dbraw/zinc/78/07/49/456780749.db2.gz HHZWLBXQONQTMA-UHFFFAOYSA-N 2 1 334.851 3.114 50 0 EGAAMP CC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012207321 1291130828 /nfs/dbraw/zinc/13/08/28/1291130828.db2.gz QMEFAKWHAFCZSW-IBGZPJMESA-N 2 1 349.563 3.412 50 0 EGAAMP CO[C@H]1CC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764894 241144076 /nfs/dbraw/zinc/14/40/76/241144076.db2.gz MVFMMRSYILBNFH-FQEVSTJZSA-N 2 1 332.488 3.162 50 0 EGAAMP Cc1[nH+]ccn1[C@H](C)C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072476776 203232016 /nfs/dbraw/zinc/23/20/16/203232016.db2.gz OATRBZMYQUGOHD-QGZVFWFLSA-N 2 1 346.519 3.400 50 0 EGAAMP CCCCc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)c[nH]1 ZINC000077504942 203392341 /nfs/dbraw/zinc/39/23/41/203392341.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 2 1 327.476 3.168 50 0 EGAAMP CCCCc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c[nH]1 ZINC000077504942 203392344 /nfs/dbraw/zinc/39/23/44/203392344.db2.gz CCYWEJUJUPNJSY-UHFFFAOYSA-N 2 1 327.476 3.168 50 0 EGAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)cc[nH+]1 ZINC000091644513 203643300 /nfs/dbraw/zinc/64/33/00/203643300.db2.gz KMODBRAAUIIESA-UHFFFAOYSA-N 2 1 333.439 3.414 50 0 EGAAMP c1cc(OC2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)ccn1 ZINC000299788909 258094851 /nfs/dbraw/zinc/09/48/51/258094851.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 2 1 329.488 3.189 50 0 EGAAMP c1cc(OC2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)ccn1 ZINC000299788909 258094852 /nfs/dbraw/zinc/09/48/52/258094852.db2.gz XAZPHYKHNUXXTE-FXAWDEMLSA-N 2 1 329.488 3.189 50 0 EGAAMP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000002277989 452692453 /nfs/dbraw/zinc/69/24/53/452692453.db2.gz VTZLVAXMWLFFNO-ZWOKBUDYSA-N 2 1 334.504 3.045 50 0 EGAAMP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)C2CCOCC2)C1 ZINC000055199847 453969269 /nfs/dbraw/zinc/96/92/69/453969269.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 2 1 330.516 3.360 50 0 EGAAMP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)C2CCOCC2)C1 ZINC000055199847 453969271 /nfs/dbraw/zinc/96/92/71/453969271.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 2 1 330.516 3.360 50 0 EGAAMP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)C2CCOCC2)C1 ZINC000055199847 453969273 /nfs/dbraw/zinc/96/92/73/453969273.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 2 1 330.516 3.360 50 0 EGAAMP Cn1nc(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055414150 453983700 /nfs/dbraw/zinc/98/37/00/453983700.db2.gz TVJODEFNLDVVBF-GHTZIAJQSA-N 2 1 338.499 3.441 50 0 EGAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2nc3ccccc3nc2C)CC1 ZINC000097117210 454412478 /nfs/dbraw/zinc/41/24/78/454412478.db2.gz JPBPLZYXDSPHQX-UHFFFAOYSA-N 2 1 335.455 3.355 50 0 EGAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)cc[nH+]1 ZINC000091256028 454419627 /nfs/dbraw/zinc/41/96/27/454419627.db2.gz HXUVDJYAVDJVPM-UHFFFAOYSA-N 2 1 339.468 3.475 50 0 EGAAMP C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[NH+](CCO)C1 ZINC000952991847 1334631768 /nfs/dbraw/zinc/63/17/68/1334631768.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 2 1 347.890 3.024 50 0 EGAAMP C[N@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[NH+](CCO)C1 ZINC000952991847 1334631770 /nfs/dbraw/zinc/63/17/70/1334631770.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 2 1 347.890 3.024 50 0 EGAAMP C[NH+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000952991847 1334631775 /nfs/dbraw/zinc/63/17/75/1334631775.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 2 1 347.890 3.024 50 0 EGAAMP C[NH+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000952991847 1334631779 /nfs/dbraw/zinc/63/17/79/1334631779.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 2 1 347.890 3.024 50 0 EGAAMP CC(C)C[N@H+]1CCC[C@@H](c2ccnc(SCC[NH+]3CCCC3)n2)C1 ZINC000011787933 201815576 /nfs/dbraw/zinc/81/55/76/201815576.db2.gz WOORULRDIGMUBI-QGZVFWFLSA-N 2 1 348.560 3.500 50 0 EGAAMP COc1cccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)c1 ZINC000072165926 203179530 /nfs/dbraw/zinc/17/95/30/203179530.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 2 1 332.488 3.270 50 0 EGAAMP COc1cccc(OCC[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000072165926 203179532 /nfs/dbraw/zinc/17/95/32/203179532.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 2 1 332.488 3.270 50 0 EGAAMP COc1cccc(OCC[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000072165926 203179535 /nfs/dbraw/zinc/17/95/35/203179535.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 2 1 332.488 3.270 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356691 203384065 /nfs/dbraw/zinc/38/40/65/203384065.db2.gz ZQRNGPYYWPQDPQ-GOSISDBHSA-N 2 1 341.455 3.408 50 0 EGAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356691 203384067 /nfs/dbraw/zinc/38/40/67/203384067.db2.gz ZQRNGPYYWPQDPQ-GOSISDBHSA-N 2 1 341.455 3.408 50 0 EGAAMP CC(C)Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)cc1 ZINC000067867871 453974067 /nfs/dbraw/zinc/97/40/67/453974067.db2.gz UEFSBHCFRWNPSH-UHFFFAOYSA-N 2 1 329.532 3.097 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095374741 454199078 /nfs/dbraw/zinc/19/90/78/454199078.db2.gz JHZWJWDZTDLZQI-QGZVFWFLSA-N 2 1 333.439 3.414 50 0 EGAAMP OC[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091651263 454454893 /nfs/dbraw/zinc/45/48/93/454454893.db2.gz VLWSSQPCWCYDFC-FGZHOGPDSA-N 2 1 338.495 3.366 50 0 EGAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)cc[nH+]1 ZINC000092046143 454507743 /nfs/dbraw/zinc/50/77/43/454507743.db2.gz SDXZQENEUQFJFL-SFHVURJKSA-N 2 1 333.439 3.414 50 0 EGAAMP CCCn1ncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1C ZINC000065374726 454556536 /nfs/dbraw/zinc/55/65/36/454556536.db2.gz OATZISASXMSRHG-UHFFFAOYSA-N 2 1 349.482 3.472 50 0 EGAAMP CCn1ccnc1C[N@@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072432660 216226831 /nfs/dbraw/zinc/22/68/31/216226831.db2.gz NLYSXTBVBGUKLJ-UHFFFAOYSA-N 2 1 339.487 3.241 50 0 EGAAMP CCn1ccnc1C[N@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072432660 216226832 /nfs/dbraw/zinc/22/68/32/216226832.db2.gz NLYSXTBVBGUKLJ-UHFFFAOYSA-N 2 1 339.487 3.241 50 0 EGAAMP CC[N@@H+](CCn1cccn1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000216134682 241168017 /nfs/dbraw/zinc/16/80/17/241168017.db2.gz BKYBDOPMWCSVAL-UHFFFAOYSA-N 2 1 332.517 3.453 50 0 EGAAMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](C)C2(C)C)c(C)c1 ZINC000244742240 243073217 /nfs/dbraw/zinc/07/32/17/243073217.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 2 1 331.504 3.294 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)c(C)c1 ZINC000244742240 243073221 /nfs/dbraw/zinc/07/32/21/243073221.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 2 1 331.504 3.294 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)c(C)c1 ZINC000244742240 243073226 /nfs/dbraw/zinc/07/32/26/243073226.db2.gz OEHUSVMCZFESDF-QGZVFWFLSA-N 2 1 331.504 3.294 50 0 EGAAMP COc1cccc(C[C@@H]2C[N@@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCO2)c1 ZINC000071767812 203112174 /nfs/dbraw/zinc/11/21/74/203112174.db2.gz GQEFAUNQZGEXTQ-LJQANCHMSA-N 2 1 346.515 3.248 50 0 EGAAMP COc1cccc(C[C@@H]2C[N@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCO2)c1 ZINC000071767812 203112177 /nfs/dbraw/zinc/11/21/77/203112177.db2.gz GQEFAUNQZGEXTQ-LJQANCHMSA-N 2 1 346.515 3.248 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072166637 203179138 /nfs/dbraw/zinc/17/91/38/203179138.db2.gz SCQHVHJRYBSAJV-FQEVSTJZSA-N 2 1 339.483 3.496 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072166637 203179142 /nfs/dbraw/zinc/17/91/42/203179142.db2.gz SCQHVHJRYBSAJV-FQEVSTJZSA-N 2 1 339.483 3.496 50 0 EGAAMP COc1ccc2[nH]nc(C[NH+]3CCC(C4CC[NH+](C)CC4)CC3)c2c1 ZINC000072170200 203180492 /nfs/dbraw/zinc/18/04/92/203180492.db2.gz ROGSXZNFTNQLIZ-UHFFFAOYSA-N 2 1 342.487 3.125 50 0 EGAAMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386882 453358251 /nfs/dbraw/zinc/35/82/51/453358251.db2.gz HHNGTEZNMJRCMS-KRWDZBQOSA-N 2 1 335.536 3.020 50 0 EGAAMP c1csc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000299764369 456779755 /nfs/dbraw/zinc/77/97/55/456779755.db2.gz VBMXGUDONXHPDW-PKOBYXMFSA-N 2 1 333.545 3.130 50 0 EGAAMP c1csc(C[NH+]2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000299764369 456779762 /nfs/dbraw/zinc/77/97/62/456779762.db2.gz VBMXGUDONXHPDW-PKOBYXMFSA-N 2 1 333.545 3.130 50 0 EGAAMP Cc1cccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809995 1441417526 /nfs/dbraw/zinc/41/75/26/1441417526.db2.gz BTVDPPGQXRQPNI-IFMALSPDSA-N 2 1 335.495 3.087 50 0 EGAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000215738812 241144283 /nfs/dbraw/zinc/14/42/83/241144283.db2.gz AHTBDQAKPYKDSL-UHFFFAOYSA-N 2 1 335.455 3.289 50 0 EGAAMP c1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(C[NH+]4CCCC4)cs3)C2)n1 ZINC000244874239 243091834 /nfs/dbraw/zinc/09/18/34/243091834.db2.gz WXBXTJLKGCBEHJ-MRXNPFEDSA-N 2 1 330.501 3.447 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc4nsnc4c3)CC2)cc[nH+]1 ZINC000072154257 203175194 /nfs/dbraw/zinc/17/51/94/203175194.db2.gz VHAQATGZLRVDSZ-UHFFFAOYSA-N 2 1 339.468 3.107 50 0 EGAAMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097636632 203954740 /nfs/dbraw/zinc/95/47/40/203954740.db2.gz QTZYDDDWESAQKF-NRFANRHFSA-N 2 1 349.478 3.069 50 0 EGAAMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)cc1F ZINC000244811340 455276600 /nfs/dbraw/zinc/27/66/00/455276600.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 2 1 335.467 3.125 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)cc1F ZINC000244811340 455276604 /nfs/dbraw/zinc/27/66/04/455276604.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 2 1 335.467 3.125 50 0 EGAAMP CC[C@H](C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067514780 453937680 /nfs/dbraw/zinc/93/76/80/453937680.db2.gz LNCAPOWNMQDSDM-SFHVURJKSA-N 2 1 345.531 3.076 50 0 EGAAMP CC[C@@H](C)Oc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)c1 ZINC000067514778 453937823 /nfs/dbraw/zinc/93/78/23/453937823.db2.gz LNCAPOWNMQDSDM-GOSISDBHSA-N 2 1 345.531 3.076 50 0 EGAAMP CCOc1cccc(C[N@@H+](CCO)CC2CC[NH+](C(C)C)CC2)c1 ZINC000055413289 453983612 /nfs/dbraw/zinc/98/36/12/453983612.db2.gz NAZOZJAXSMIFKS-UHFFFAOYSA-N 2 1 334.504 3.000 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000095520248 454226025 /nfs/dbraw/zinc/22/60/25/454226025.db2.gz PSLKYQANLRBNGF-HNNXBMFYSA-N 2 1 347.894 3.267 50 0 EGAAMP Cc1ccc(-c2ccccc2C[N@@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)o1 ZINC000091563331 454446096 /nfs/dbraw/zinc/44/60/96/454446096.db2.gz PHBDLCXAEWPERF-MSOLQXFVSA-N 2 1 342.483 3.247 50 0 EGAAMP Cc1ccc(-c2ccccc2C[N@H+]2C[C@@H](C[NH+](C)C)C[C@H](CO)C2)o1 ZINC000091563331 454446102 /nfs/dbraw/zinc/44/61/02/454446102.db2.gz PHBDLCXAEWPERF-MSOLQXFVSA-N 2 1 342.483 3.247 50 0 EGAAMP CC[C@H]1C=CC[N@H+]1Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000952974930 1334628395 /nfs/dbraw/zinc/62/83/95/1334628395.db2.gz XHVILQPGFRFROG-FQEVSTJZSA-N 2 1 344.499 3.328 50 0 EGAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000215631399 241135988 /nfs/dbraw/zinc/13/59/88/241135988.db2.gz ILPAMBBPNVJDJR-UHFFFAOYSA-N 2 1 336.439 3.298 50 0 EGAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000215631399 241135993 /nfs/dbraw/zinc/13/59/93/241135993.db2.gz ILPAMBBPNVJDJR-UHFFFAOYSA-N 2 1 336.439 3.298 50 0 EGAAMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231375 /nfs/dbraw/zinc/23/13/75/203231375.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 2 1 330.516 3.308 50 0 EGAAMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231379 /nfs/dbraw/zinc/23/13/79/203231379.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 2 1 330.516 3.308 50 0 EGAAMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231383 /nfs/dbraw/zinc/23/13/83/203231383.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 2 1 330.516 3.308 50 0 EGAAMP COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1C[NH+]1CCCC1 ZINC000101775278 204022854 /nfs/dbraw/zinc/02/28/54/204022854.db2.gz JCPJZAWMYFLZGX-WGMWDUQUSA-N 2 1 344.499 3.148 50 0 EGAAMP Cc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)cc[nH+]1 ZINC000095528866 454229341 /nfs/dbraw/zinc/22/93/41/454229341.db2.gz CHMFRZBCQOZJRM-UHFFFAOYSA-N 2 1 333.439 3.414 50 0 EGAAMP C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(c1ncnc3[nH]ccc31)CC2 ZINC000095523626 1292945406 /nfs/dbraw/zinc/94/54/06/1292945406.db2.gz UHIAEOYQQYBFCG-KRWDZBQOSA-N 2 1 347.466 3.416 50 0 EGAAMP C[N@@H+]1C[C@@H](c2ccccc2)CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000095523626 1292945410 /nfs/dbraw/zinc/94/54/10/1292945410.db2.gz UHIAEOYQQYBFCG-KRWDZBQOSA-N 2 1 347.466 3.416 50 0 EGAAMP C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000095523626 1292945418 /nfs/dbraw/zinc/94/54/18/1292945418.db2.gz UHIAEOYQQYBFCG-KRWDZBQOSA-N 2 1 347.466 3.416 50 0 EGAAMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2C[NH+](C)CC2(C)COC2)C1 ZINC000823683720 1320197980 /nfs/dbraw/zinc/19/79/80/1320197980.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 2 1 346.515 3.266 50 0 EGAAMP C[C@@H]1CCC[NH+](CCOc2ccccc2C[N@H+](C)CC2(C)COC2)C1 ZINC000823683720 1320197981 /nfs/dbraw/zinc/19/79/81/1320197981.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 2 1 346.515 3.266 50 0 EGAAMP C[C@@H]1CCC[NH+](CCOc2ccccc2C[N@@H+](C)CC2(C)COC2)C1 ZINC000823683720 1320197982 /nfs/dbraw/zinc/19/79/82/1320197982.db2.gz BLAPIFZGYHJBDL-GOSISDBHSA-N 2 1 346.515 3.266 50 0 EGAAMP Cc1nn(C)c(C)c1C[N@@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277244 /nfs/dbraw/zinc/27/72/44/214277244.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 2 1 330.520 3.266 50 0 EGAAMP Cc1nn(C)c(C)c1C[NH+](C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277246 /nfs/dbraw/zinc/27/72/46/214277246.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 2 1 330.520 3.266 50 0 EGAAMP Cc1nn(C)c(C)c1C[NH+](C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277248 /nfs/dbraw/zinc/27/72/48/214277248.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 2 1 330.520 3.266 50 0 EGAAMP Cc1ccc(SCCC[N@@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072140151 216026172 /nfs/dbraw/zinc/02/61/72/216026172.db2.gz CFAIYUUQEATNIP-UHFFFAOYSA-N 2 1 344.528 3.299 50 0 EGAAMP Cc1ccc(SCCC[N@H+](C)Cc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072140151 216026176 /nfs/dbraw/zinc/02/61/76/216026176.db2.gz CFAIYUUQEATNIP-UHFFFAOYSA-N 2 1 344.528 3.299 50 0 EGAAMP Cc1cccc(N2CCC3(CCC[N@@H+]3Cc3cccnc3N)CC2)[nH+]1 ZINC000072474192 216251163 /nfs/dbraw/zinc/25/11/63/216251163.db2.gz PSZRFKLXKAZSPO-UHFFFAOYSA-N 2 1 337.471 3.002 50 0 EGAAMP Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cccnc3N)CC2)[nH+]1 ZINC000072474192 216251166 /nfs/dbraw/zinc/25/11/66/216251166.db2.gz PSZRFKLXKAZSPO-UHFFFAOYSA-N 2 1 337.471 3.002 50 0 EGAAMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](C)C2(C)C)c(C)c1 ZINC000244742239 243072075 /nfs/dbraw/zinc/07/20/75/243072075.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 2 1 331.504 3.294 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](C)C2(C)C)c(C)c1 ZINC000244742239 243072081 /nfs/dbraw/zinc/07/20/81/243072081.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 2 1 331.504 3.294 50 0 EGAAMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)c(C)c1 ZINC000244742239 243072087 /nfs/dbraw/zinc/07/20/87/243072087.db2.gz OEHUSVMCZFESDF-KRWDZBQOSA-N 2 1 331.504 3.294 50 0 EGAAMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1ccc(F)cc1 ZINC000095359029 218291687 /nfs/dbraw/zinc/29/16/87/218291687.db2.gz SYSLRSGODKOTND-SFHVURJKSA-N 2 1 349.494 3.199 50 0 EGAAMP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc[nH+]c3ccccc31)CC2 ZINC000091270292 454420912 /nfs/dbraw/zinc/42/09/12/454420912.db2.gz RLFWRGNTRWGYLW-UHFFFAOYSA-N 2 1 347.466 3.332 50 0 EGAAMP C[C@H](CC1CC1)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000048101501 454443103 /nfs/dbraw/zinc/44/31/03/454443103.db2.gz VMNANOFXDXSJMM-QGZVFWFLSA-N 2 1 345.535 3.480 50 0 EGAAMP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000222688375 456049414 /nfs/dbraw/zinc/04/94/14/456049414.db2.gz LWJVJJNRWQJTTG-UHFFFAOYSA-N 2 1 340.870 3.149 50 0 EGAAMP CC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012207313 1291130798 /nfs/dbraw/zinc/13/07/98/1291130798.db2.gz QMEFAKWHAFCZSW-LJQANCHMSA-N 2 1 349.563 3.412 50 0 EGAAMP COc1cccc(C[N@H+](C)[C@@H](C)c2ccco2)c1OCC[NH+](C)C ZINC000055575943 214331877 /nfs/dbraw/zinc/33/18/77/214331877.db2.gz RGTWBGLEYWNZCE-HNNXBMFYSA-N 2 1 332.444 3.422 50 0 EGAAMP COc1cccc(C[N@@H+](C)[C@@H](C)c2ccco2)c1OCC[NH+](C)C ZINC000055575943 214331878 /nfs/dbraw/zinc/33/18/78/214331878.db2.gz RGTWBGLEYWNZCE-HNNXBMFYSA-N 2 1 332.444 3.422 50 0 EGAAMP Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c(-n2cccn2)c1 ZINC000102717911 219224731 /nfs/dbraw/zinc/22/47/31/219224731.db2.gz YWJBRAAXFFYFHY-WGMWDUQUSA-N 2 1 338.499 3.261 50 0 EGAAMP c1ccc(Cc2nc(C[NH2+]C3CCC4(CC[NH2+]CC4)CC3)no2)cc1 ZINC000067697137 215189901 /nfs/dbraw/zinc/18/99/01/215189901.db2.gz NWWMHMMHDMXLIJ-UHFFFAOYSA-N 2 1 340.471 3.062 50 0 EGAAMP Cc1cc(N2CCC[N@H+](Cc3cc(C(C)(C)C)n[nH]3)CC2)cc[nH+]1 ZINC000072169131 216060967 /nfs/dbraw/zinc/06/09/67/216060967.db2.gz DQNGDQHBHOKEKI-UHFFFAOYSA-N 2 1 327.476 3.123 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3cc(C(C)(C)C)n[nH]3)CC2)cc[nH+]1 ZINC000072169131 216060969 /nfs/dbraw/zinc/06/09/69/216060969.db2.gz DQNGDQHBHOKEKI-UHFFFAOYSA-N 2 1 327.476 3.123 50 0 EGAAMP Cc1c(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cnn1C ZINC000072412506 216205254 /nfs/dbraw/zinc/20/52/54/216205254.db2.gz SRMUBADHMZLVQL-UHFFFAOYSA-N 2 1 339.487 3.067 50 0 EGAAMP Cc1c(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cnn1C ZINC000072412506 216205256 /nfs/dbraw/zinc/20/52/56/216205256.db2.gz SRMUBADHMZLVQL-UHFFFAOYSA-N 2 1 339.487 3.067 50 0 EGAAMP CCC[NH+]1CCC(N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000019636083 212052874 /nfs/dbraw/zinc/05/28/74/212052874.db2.gz LDITZZXUUXBXMZ-RMKNXTFCSA-N 2 1 327.516 3.192 50 0 EGAAMP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817884 211250134 /nfs/dbraw/zinc/25/01/34/211250134.db2.gz VCBQUWVOBWXPCG-KRWDZBQOSA-N 2 1 347.547 3.164 50 0 EGAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000095375751 218309070 /nfs/dbraw/zinc/30/90/70/218309070.db2.gz VTWFZNJUDQHZLR-GOSISDBHSA-N 2 1 340.471 3.061 50 0 EGAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000095375751 218309072 /nfs/dbraw/zinc/30/90/72/218309072.db2.gz VTWFZNJUDQHZLR-GOSISDBHSA-N 2 1 340.471 3.061 50 0 EGAAMP Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@H]2c2cccc(Cl)c2)c1 ZINC000006785881 452987708 /nfs/dbraw/zinc/98/77/08/452987708.db2.gz KAWRECNOSIGRKM-OAHLLOKOSA-N 2 1 327.819 3.105 50 0 EGAAMP C[C@H](C(=O)N1CCC[N@H+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000077539864 454119836 /nfs/dbraw/zinc/11/98/36/454119836.db2.gz YMGPYJQKLZYOLM-QGZVFWFLSA-N 2 1 349.544 3.047 50 0 EGAAMP C[C@H](C(=O)N1CCC[N@@H+](Cc2cccs2)CC1)[NH+]1CCCCCC1 ZINC000077539864 454119840 /nfs/dbraw/zinc/11/98/40/454119840.db2.gz YMGPYJQKLZYOLM-QGZVFWFLSA-N 2 1 349.544 3.047 50 0 EGAAMP C[C@@H]1C[N@@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000219944285 456037463 /nfs/dbraw/zinc/03/74/63/456037463.db2.gz NVIQYCRBPIEQAN-HDICACEKSA-N 2 1 332.488 3.161 50 0 EGAAMP C[C@@H]1C[N@H+](Cc2cccc(OCC[NH+]3CCCCC3)c2)C[C@H](C)O1 ZINC000219944285 456037467 /nfs/dbraw/zinc/03/74/67/456037467.db2.gz NVIQYCRBPIEQAN-HDICACEKSA-N 2 1 332.488 3.161 50 0 EGAAMP CC[N@H+]1CCCN(Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000215796139 535520062 /nfs/dbraw/zinc/52/00/62/535520062.db2.gz USDGTHCBSXNZIR-UHFFFAOYSA-N 2 1 345.531 3.079 50 0 EGAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)Cc2ccc(CO)o2)CC1 ZINC000012596143 1291133369 /nfs/dbraw/zinc/13/33/69/1291133369.db2.gz NGKYSPBPAQGRTK-UHFFFAOYSA-N 2 1 342.483 3.158 50 0 EGAAMP CCn1ccnc1C[N@@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000015063991 1291146215 /nfs/dbraw/zinc/14/62/15/1291146215.db2.gz PIIAVYNTNAKTGW-UHFFFAOYSA-N 2 1 340.515 3.290 50 0 EGAAMP COc1ccc2cc(C[NH2+]CCC[N@H+]3CCCC[C@@H]3CO)ccc2c1 ZINC000952986877 1334631577 /nfs/dbraw/zinc/63/15/77/1334631577.db2.gz BIVGDHSTXRRJPI-HXUWFJFHSA-N 2 1 342.483 3.175 50 0 EGAAMP COc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1C[NH+]1CCCC1 ZINC000215681181 241139282 /nfs/dbraw/zinc/13/92/82/241139282.db2.gz WCSPUXRUIKCLGP-HXUWFJFHSA-N 2 1 332.488 3.028 50 0 EGAAMP Cc1cc(C)n(-c2cccc(C[N@@H+](C)CCCc3[nH+]ccn3C)c2)n1 ZINC000215640296 241137116 /nfs/dbraw/zinc/13/71/16/241137116.db2.gz ZCQRAIYEZATYNJ-UHFFFAOYSA-N 2 1 337.471 3.287 50 0 EGAAMP Cc1cc(C)n(-c2cccc(C[N@H+](C)CCCc3[nH+]ccn3C)c2)n1 ZINC000215640296 241137123 /nfs/dbraw/zinc/13/71/23/241137123.db2.gz ZCQRAIYEZATYNJ-UHFFFAOYSA-N 2 1 337.471 3.287 50 0 EGAAMP C[N@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385175 /nfs/dbraw/zinc/38/51/75/211385175.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 2 1 336.495 3.031 50 0 EGAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385176 /nfs/dbraw/zinc/38/51/76/211385176.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 2 1 336.495 3.031 50 0 EGAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385177 /nfs/dbraw/zinc/38/51/77/211385177.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 2 1 336.495 3.031 50 0 EGAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385178 /nfs/dbraw/zinc/38/51/78/211385178.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 2 1 336.495 3.031 50 0 EGAAMP CN(C(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000012028521 211281400 /nfs/dbraw/zinc/28/14/00/211281400.db2.gz OWOOHLJCWIWWID-KRWDZBQOSA-N 2 1 337.552 3.077 50 0 EGAAMP COc1cccc(COc2ccccc2C[NH+]2CCC([NH3+])CC2)c1 ZINC000097294755 219010115 /nfs/dbraw/zinc/01/01/15/219010115.db2.gz VLBWCMOYUSOYIH-UHFFFAOYSA-N 2 1 326.440 3.197 50 0 EGAAMP Cc1c2ccccc2oc1C[N@@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077489006 454112039 /nfs/dbraw/zinc/11/20/39/454112039.db2.gz DWHTXOWOPOXUDF-FQEVSTJZSA-N 2 1 328.456 3.164 50 0 EGAAMP Cc1c2ccccc2oc1C[N@H+]1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077489006 454112043 /nfs/dbraw/zinc/11/20/43/454112043.db2.gz DWHTXOWOPOXUDF-FQEVSTJZSA-N 2 1 328.456 3.164 50 0 EGAAMP CC[NH+](CC)Cc1cc(C(=O)NCC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000220286005 456038442 /nfs/dbraw/zinc/03/84/42/456038442.db2.gz MRQSWYAGBKRUGX-INIZCTEOSA-N 2 1 335.492 3.034 50 0 EGAAMP COC[C@@H]1CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000215799680 241147585 /nfs/dbraw/zinc/14/75/85/241147585.db2.gz SYKSKLMVLFEPPN-GOSISDBHSA-N 2 1 332.488 3.020 50 0 EGAAMP CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455704 212132056 /nfs/dbraw/zinc/13/20/56/212132056.db2.gz GXOKOLKJYROUPX-IBGZPJMESA-N 2 1 347.522 3.106 50 0 EGAAMP Cc1cccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)cc2)c1 ZINC000091416990 218003158 /nfs/dbraw/zinc/00/31/58/218003158.db2.gz SXXBMMOORKYDLP-FGZHOGPDSA-N 2 1 338.495 3.264 50 0 EGAAMP Cc1ccccc1[C@@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)[NH+](C)C ZINC000219779639 302114128 /nfs/dbraw/zinc/11/41/28/302114128.db2.gz MXOPWWZEVQKHLV-IBGZPJMESA-N 2 1 343.515 3.123 50 0 EGAAMP O[C@]1(C[NH+]2CCCCC2)CCN(c2cc[nH+]c3cc(Cl)ccc32)C1 ZINC000077286520 454086160 /nfs/dbraw/zinc/08/61/60/454086160.db2.gz PWPYYUYLQLAJSE-IBGZPJMESA-N 2 1 345.874 3.315 50 0 EGAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091321715 454428074 /nfs/dbraw/zinc/42/80/74/454428074.db2.gz UONFDLVCXGXQTJ-LJQANCHMSA-N 2 1 338.499 3.122 50 0 EGAAMP Cn1ccnc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321715 454428078 /nfs/dbraw/zinc/42/80/78/454428078.db2.gz UONFDLVCXGXQTJ-LJQANCHMSA-N 2 1 338.499 3.122 50 0 EGAAMP Cc1nc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065499806 454578671 /nfs/dbraw/zinc/57/86/71/454578671.db2.gz DZJQHAIQILZYDO-MRXNPFEDSA-N 2 1 337.427 3.252 50 0 EGAAMP C[N@@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)C[C@H]1CCC[NH2+]C1 ZINC000426734038 457887964 /nfs/dbraw/zinc/88/79/64/457887964.db2.gz PIAKHGXECJKIQC-AWEZNQCLSA-N 2 1 340.423 3.048 50 0 EGAAMP C[N@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)C[C@H]1CCC[NH2+]C1 ZINC000426734038 457887969 /nfs/dbraw/zinc/88/79/69/457887969.db2.gz PIAKHGXECJKIQC-AWEZNQCLSA-N 2 1 340.423 3.048 50 0 EGAAMP CC(C)N1CCC([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000670468421 548220219 /nfs/dbraw/zinc/22/02/19/548220219.db2.gz HIUGDEWEOXRYIK-UHFFFAOYSA-N 2 1 329.532 3.112 50 0 EGAAMP COCC[N@H+]1CCC[C@H](CNCc2cccc(Cl)c2Cl)C1 ZINC000952986030 1334630876 /nfs/dbraw/zinc/63/08/76/1334630876.db2.gz CVKRVJBKSJLPQS-CYBMUJFWSA-N 2 1 331.287 3.441 50 0 EGAAMP CC(C)([NH3+])c1nnc(NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC001772706213 1441417179 /nfs/dbraw/zinc/41/71/79/1441417179.db2.gz QOXDXECYCCHQQB-MRXNPFEDSA-N 2 1 343.475 3.120 50 0 EGAAMP Cc1ccc(C[NH+]2CCC(C[N@@H+](C)CCCn3cccn3)CC2)o1 ZINC000012031444 211282158 /nfs/dbraw/zinc/28/21/58/211282158.db2.gz NJXPWNLHAKAFBR-UHFFFAOYSA-N 2 1 330.476 3.019 50 0 EGAAMP CC(C)Oc1ccc(C[NH2+]CC[C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013765785 453488264 /nfs/dbraw/zinc/48/82/64/453488264.db2.gz VTZLVAXMWLFFNO-QKLQHJQFSA-N 2 1 334.504 3.045 50 0 EGAAMP CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015079861 453555205 /nfs/dbraw/zinc/55/52/05/453555205.db2.gz UAWHPCCIKUMSNC-IBGZPJMESA-N 2 1 349.563 3.221 50 0 EGAAMP CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015079861 453555211 /nfs/dbraw/zinc/55/52/11/453555211.db2.gz UAWHPCCIKUMSNC-IBGZPJMESA-N 2 1 349.563 3.221 50 0 EGAAMP CCOCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2 ZINC000426556060 457854433 /nfs/dbraw/zinc/85/44/33/457854433.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000426556060 457854438 /nfs/dbraw/zinc/85/44/38/457854438.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000426556060 457854442 /nfs/dbraw/zinc/85/44/42/457854442.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1)C2 ZINC000426556060 457854448 /nfs/dbraw/zinc/85/44/48/457854448.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 1 332.488 3.020 50 0 EGAAMP CCOCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000426556060 457854451 /nfs/dbraw/zinc/85/44/51/457854451.db2.gz VUQLVHCOMYCZCF-HXUWFJFHSA-N 2 1 332.488 3.020 50 0 EGAAMP C[N@H+]1C[C@H](c2ccccc2)CC12CCN(c1ncnc3[nH]ccc31)CC2 ZINC000095523625 1292944507 /nfs/dbraw/zinc/94/45/07/1292944507.db2.gz UHIAEOYQQYBFCG-QGZVFWFLSA-N 2 1 347.466 3.416 50 0 EGAAMP C[N@@H+]1C[C@H](c2ccccc2)CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000095523625 1292944512 /nfs/dbraw/zinc/94/45/12/1292944512.db2.gz UHIAEOYQQYBFCG-QGZVFWFLSA-N 2 1 347.466 3.416 50 0 EGAAMP C[N@H+]1C[C@H](c2ccccc2)CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2 ZINC000095523625 1292944518 /nfs/dbraw/zinc/94/45/18/1292944518.db2.gz UHIAEOYQQYBFCG-QGZVFWFLSA-N 2 1 347.466 3.416 50 0 EGAAMP C[C@H](C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)[NH+]1CCOCC1 ZINC000072422581 216211787 /nfs/dbraw/zinc/21/17/87/216211787.db2.gz PGAJNTXFQBNCRJ-CQSZACIVSA-N 2 1 340.870 3.412 50 0 EGAAMP CSc1cccc(C[N@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000020997385 212196319 /nfs/dbraw/zinc/19/63/19/212196319.db2.gz OGSQZKYKKRDDKY-GOSISDBHSA-N 2 1 335.561 3.256 50 0 EGAAMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1 ZINC000077564298 454124113 /nfs/dbraw/zinc/12/41/13/454124113.db2.gz HTBMGOKWGLPRQG-IBGZPJMESA-N 2 1 341.455 3.423 50 0 EGAAMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2C)cc1 ZINC000077564298 454124117 /nfs/dbraw/zinc/12/41/17/454124117.db2.gz HTBMGOKWGLPRQG-IBGZPJMESA-N 2 1 341.455 3.423 50 0 EGAAMP C[C@@H](C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)[NH+]1CCOCC1 ZINC000072422580 216211731 /nfs/dbraw/zinc/21/17/31/216211731.db2.gz PGAJNTXFQBNCRJ-AWEZNQCLSA-N 2 1 340.870 3.412 50 0 EGAAMP CCOc1cc(CN(C)C[C@H]2CC[N@@H+](C)C2)c(Cl)cc1OC ZINC000215890283 241152826 /nfs/dbraw/zinc/15/28/26/241152826.db2.gz DFHDZGAOACQJBX-ZDUSSCGKSA-N 2 1 326.868 3.131 50 0 EGAAMP Cc1cc(N2CCC[N@H+](Cc3cn4cccc(C)c4n3)CC2)cc[nH+]1 ZINC000252482731 243770833 /nfs/dbraw/zinc/77/08/33/243770833.db2.gz DMNBIZLNBLTNMC-UHFFFAOYSA-N 2 1 335.455 3.058 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3cn4cccc(C)c4n3)CC2)cc[nH+]1 ZINC000252482731 243770835 /nfs/dbraw/zinc/77/08/35/243770835.db2.gz DMNBIZLNBLTNMC-UHFFFAOYSA-N 2 1 335.455 3.058 50 0 EGAAMP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)cc2)C[C@@H]1CO ZINC000091931958 218090058 /nfs/dbraw/zinc/09/00/58/218090058.db2.gz HCXQYZQKOYVITA-RTBURBONSA-N 2 1 342.458 3.095 50 0 EGAAMP COc1cccc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1OC ZINC000055107488 295294034 /nfs/dbraw/zinc/29/40/34/295294034.db2.gz YMBKLVNOLMKBJZ-ZWKOTPCHSA-N 2 1 332.488 3.100 50 0 EGAAMP Cc1ccccc1[C@H](C(=O)NCC1([NH+]2CCCC2)CCCC1)[NH+](C)C ZINC000219779708 302169987 /nfs/dbraw/zinc/16/99/87/302169987.db2.gz MXOPWWZEVQKHLV-LJQANCHMSA-N 2 1 343.515 3.123 50 0 EGAAMP CCc1cc(NCc2cc3n(n2)CCC[N@H+](CC(C)C)C3)nc(C)[nH+]1 ZINC000082097821 453924242 /nfs/dbraw/zinc/92/42/42/453924242.db2.gz LOYQXLKBUPHYPI-UHFFFAOYSA-N 2 1 342.491 3.018 50 0 EGAAMP CCc1cc(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)nc(C)[nH+]1 ZINC000082097821 453924244 /nfs/dbraw/zinc/92/42/44/453924244.db2.gz LOYQXLKBUPHYPI-UHFFFAOYSA-N 2 1 342.491 3.018 50 0 EGAAMP CC[C@]1(O)CCC[N@@H+](Cc2ccc(OC)c(C[NH+]3CCCC3)c2)C1 ZINC000215732770 535957187 /nfs/dbraw/zinc/95/71/87/535957187.db2.gz TYDBIMKCHZQPHE-FQEVSTJZSA-N 2 1 332.488 3.028 50 0 EGAAMP COc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1C[NH+]1CCCC1 ZINC000215681136 241139535 /nfs/dbraw/zinc/13/95/35/241139535.db2.gz WCSPUXRUIKCLGP-FQEVSTJZSA-N 2 1 332.488 3.028 50 0 EGAAMP CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000012574009 453376805 /nfs/dbraw/zinc/37/68/05/453376805.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 2 1 334.504 3.143 50 0 EGAAMP CC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012574009 453376821 /nfs/dbraw/zinc/37/68/21/453376821.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 2 1 334.504 3.143 50 0 EGAAMP CC[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012574009 453376832 /nfs/dbraw/zinc/37/68/32/453376832.db2.gz TYEIQDOTVRJMIY-IBGZPJMESA-N 2 1 334.504 3.143 50 0 EGAAMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C4CC[NH+](C)CC4)C3)C2)c1 ZINC000012591903 453379336 /nfs/dbraw/zinc/37/93/36/453379336.db2.gz LVPGFQHGXRMEAV-JOCHJYFZSA-N 2 1 341.543 3.377 50 0 EGAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554859 /nfs/dbraw/zinc/55/48/59/453554859.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554865 /nfs/dbraw/zinc/55/48/65/453554865.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554871 /nfs/dbraw/zinc/55/48/71/453554871.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 2 1 339.483 3.169 50 0 EGAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554875 /nfs/dbraw/zinc/55/48/75/453554875.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 2 1 339.483 3.169 50 0 EGAAMP CC(C)C[N@@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1CCO ZINC000106945203 454735213 /nfs/dbraw/zinc/73/52/13/454735213.db2.gz NTBJEYDUWFPKSP-MRXNPFEDSA-N 2 1 347.890 3.417 50 0 EGAAMP CC(C)C[N@H+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1CCO ZINC000106945203 454735218 /nfs/dbraw/zinc/73/52/18/454735218.db2.gz NTBJEYDUWFPKSP-MRXNPFEDSA-N 2 1 347.890 3.417 50 0 EGAAMP COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C2CCOCC2)CC1 ZINC000012300353 1291132085 /nfs/dbraw/zinc/13/20/85/1291132085.db2.gz IAPLLYAHFBHOQS-UHFFFAOYSA-N 2 1 346.515 3.061 50 0 EGAAMP COc1ncc(C[NH+]2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587560 1291133320 /nfs/dbraw/zinc/13/33/20/1291133320.db2.gz AKOHVNPJCMNJOO-GOSISDBHSA-N 2 1 346.519 3.065 50 0 EGAAMP COc1ncc(C[NH+]2CCC([C@@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587560 1291133323 /nfs/dbraw/zinc/13/33/23/1291133323.db2.gz AKOHVNPJCMNJOO-GOSISDBHSA-N 2 1 346.519 3.065 50 0 EGAAMP CC[NH+](CC)Cc1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048196061 213894830 /nfs/dbraw/zinc/89/48/30/213894830.db2.gz MFTLIGNZJGXUKK-UHFFFAOYSA-N 2 1 333.524 3.480 50 0 EGAAMP COc1cccc(-c2ncc(C[N@@H+]3C[C@@H]4[C@@H](C[NH+](C)C)[C@@H]4C3)s2)c1 ZINC000102594773 219212985 /nfs/dbraw/zinc/21/29/85/219212985.db2.gz OSKINTYFFNHGCM-NNZMDNLPSA-N 2 1 343.496 3.058 50 0 EGAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223083 /nfs/dbraw/zinc/22/30/83/215223083.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 2 1 327.472 3.080 50 0 EGAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223084 /nfs/dbraw/zinc/22/30/84/215223084.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 2 1 327.472 3.080 50 0 EGAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223088 /nfs/dbraw/zinc/22/30/88/215223088.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 2 1 327.472 3.080 50 0 EGAAMP C[N@@H+](Cc1cc(-c2ccccn2)no1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067852034 215232043 /nfs/dbraw/zinc/23/20/43/215232043.db2.gz VQELLXKRABQOES-UHFFFAOYSA-N 2 1 340.471 3.481 50 0 EGAAMP C[C@@H](C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)[NH+]1CCOCC1 ZINC000072421355 216208933 /nfs/dbraw/zinc/20/89/33/216208933.db2.gz NDDLJDIHMCHJLB-AWEZNQCLSA-N 2 1 340.870 3.412 50 0 EGAAMP Cc1cc(C)n(-c2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000244602001 243044474 /nfs/dbraw/zinc/04/44/74/243044474.db2.gz DVXGNXVLXBAWSB-IBGZPJMESA-N 2 1 326.488 3.405 50 0 EGAAMP c1coc(C[N@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012304981 211338883 /nfs/dbraw/zinc/33/88/83/211338883.db2.gz FMBGBSMSEUKDJG-IBGZPJMESA-N 2 1 325.456 3.409 50 0 EGAAMP [NH3+]C[C@@H]1CC[N@H+](C2CCN(c3ccc(-c4ccco4)cc3)CC2)C1 ZINC000019953421 453660945 /nfs/dbraw/zinc/66/09/45/453660945.db2.gz QBYGIQHUJDCEQF-INIZCTEOSA-N 2 1 325.456 3.196 50 0 EGAAMP CCC[C@H](C)[NH+]1CCC(n2cc(C[NH+]3CCCCCC3)nn2)CC1 ZINC000048445019 454490704 /nfs/dbraw/zinc/49/07/04/454490704.db2.gz IBCPJDBLTFUWFF-KRWDZBQOSA-N 2 1 333.524 3.480 50 0 EGAAMP CO[C@@H]1CCC[C@]12CCC[N@@H+](Cc1ccccc1OCC[NH+](C)C)C2 ZINC001704337704 1416448967 /nfs/dbraw/zinc/44/89/67/1416448967.db2.gz CUXVQLOTNCUMHM-NHCUHLMSSA-N 2 1 346.515 3.408 50 0 EGAAMP Cc1cc(=O)oc2cc(C[N@H+]3CCC[C@H](Cn4ccnc4)C3)ccc12 ZINC000067727015 215196915 /nfs/dbraw/zinc/19/69/15/215196915.db2.gz MIQXAZLQOAMYIF-KRWDZBQOSA-N 2 1 337.423 3.210 50 0 EGAAMP CCCC(=O)N1CCC([NH2+]C2(C[NH+]3CCCC3)CCCCC2)CC1 ZINC000067868352 215235383 /nfs/dbraw/zinc/23/53/83/215235383.db2.gz LACPSFFOTCSING-UHFFFAOYSA-N 2 1 335.536 3.166 50 0 EGAAMP Cn1cncc1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518987 218017050 /nfs/dbraw/zinc/01/70/50/218017050.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 2 1 338.499 3.122 50 0 EGAAMP COCC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095376740 218308764 /nfs/dbraw/zinc/30/87/64/218308764.db2.gz GRFCDKVQFWJVKD-IBGZPJMESA-N 2 1 328.500 3.367 50 0 EGAAMP C[N@@H+](Cc1cccc2ncccc12)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063834253 454452851 /nfs/dbraw/zinc/45/28/51/454452851.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 2 1 339.483 3.046 50 0 EGAAMP C[NH+](Cc1cccc2ncccc12)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063834253 454452857 /nfs/dbraw/zinc/45/28/57/454452857.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 2 1 339.483 3.046 50 0 EGAAMP C[NH+](Cc1cccc2ncccc12)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834253 454452861 /nfs/dbraw/zinc/45/28/61/454452861.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 2 1 339.483 3.046 50 0 EGAAMP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809997 1441417595 /nfs/dbraw/zinc/41/75/95/1441417595.db2.gz BTVDPPGQXRQPNI-RBBKRZOGSA-N 2 1 335.495 3.087 50 0 EGAAMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097636633 219043125 /nfs/dbraw/zinc/04/31/25/219043125.db2.gz QTZYDDDWESAQKF-OAQYLSRUSA-N 2 1 349.478 3.069 50 0 EGAAMP Cc1cc(C)n(CC2(C[NH2+]C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000055073205 214269343 /nfs/dbraw/zinc/26/93/43/214269343.db2.gz SCJNPZRMYBFYPP-RBUKOAKNSA-N 2 1 330.520 3.134 50 0 EGAAMP C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689186 215185859 /nfs/dbraw/zinc/18/58/59/215185859.db2.gz XYBSADBBVGAJNO-IBGZPJMESA-N 2 1 341.499 3.425 50 0 EGAAMP COc1ccc2c(c1)n[nH]c2C[NH+]1CCC(C2CC[NH+](C)CC2)CC1 ZINC000072154045 216044267 /nfs/dbraw/zinc/04/42/67/216044267.db2.gz ISJBMDHGIUTOBD-UHFFFAOYSA-N 2 1 342.487 3.125 50 0 EGAAMP COc1cccc(C[N@@H+]2CC=C(C)CC2)c1OCCn1ccnc1 ZINC000215501639 241128873 /nfs/dbraw/zinc/12/88/73/241128873.db2.gz QBHYTZAZDMDSLP-UHFFFAOYSA-N 2 1 327.428 3.123 50 0 EGAAMP COc1cccc(CN2CC=C(C)CC2)c1OCCn1ccnc1 ZINC000215501639 241128878 /nfs/dbraw/zinc/12/88/78/241128878.db2.gz QBHYTZAZDMDSLP-UHFFFAOYSA-N 2 1 327.428 3.123 50 0 EGAAMP CC(C)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091849389 276053303 /nfs/dbraw/zinc/05/33/03/276053303.db2.gz HTIIDAJJAXOJCA-NHCUHLMSSA-N 2 1 330.516 3.336 50 0 EGAAMP CC(C)c1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000091849389 276053304 /nfs/dbraw/zinc/05/33/04/276053304.db2.gz HTIIDAJJAXOJCA-NHCUHLMSSA-N 2 1 330.516 3.336 50 0 EGAAMP CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012702621 279256427 /nfs/dbraw/zinc/25/64/27/279256427.db2.gz GJERCFJYRRYSAL-GOSISDBHSA-N 2 1 335.536 3.022 50 0 EGAAMP CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000244884114 279289235 /nfs/dbraw/zinc/28/92/35/279289235.db2.gz YFOMLPOOIUORCX-UHFFFAOYSA-N 2 1 343.515 3.230 50 0 EGAAMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000012304137 1291131976 /nfs/dbraw/zinc/13/19/76/1291131976.db2.gz JFRCFCKZRQQABC-MRXNPFEDSA-N 2 1 347.503 3.258 50 0 EGAAMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)o1 ZINC000012304137 1291131980 /nfs/dbraw/zinc/13/19/80/1291131980.db2.gz JFRCFCKZRQQABC-MRXNPFEDSA-N 2 1 347.503 3.258 50 0 EGAAMP CCc1[nH+]ccn1CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000952971496 1334627639 /nfs/dbraw/zinc/62/76/39/1334627639.db2.gz DYZUYIJDGOBPSN-UHFFFAOYSA-N 2 1 340.471 3.460 50 0 EGAAMP Cc1ccc(NCCC[NH2+]Cc2cnc(N3CCCC3)s2)[nH+]c1 ZINC000952982338 1334629940 /nfs/dbraw/zinc/62/99/40/1334629940.db2.gz KUCLVUIWBLDDSS-UHFFFAOYSA-N 2 1 331.489 3.039 50 0 EGAAMP O=C(c1ccccn1)[C@H]1CCC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067784145 215210392 /nfs/dbraw/zinc/21/03/92/215210392.db2.gz LQNVMCSLYNIKKB-KRWDZBQOSA-N 2 1 341.499 3.289 50 0 EGAAMP Cc1nc[nH]c1C[N@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072477062 216254690 /nfs/dbraw/zinc/25/46/90/216254690.db2.gz SUWPOCQMUWMMHV-UHFFFAOYSA-N 2 1 325.460 3.057 50 0 EGAAMP Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1cccc(C)[nH+]1)CC2 ZINC000072477062 216254692 /nfs/dbraw/zinc/25/46/92/216254692.db2.gz SUWPOCQMUWMMHV-UHFFFAOYSA-N 2 1 325.460 3.057 50 0 EGAAMP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[NH+](C)C1 ZINC000216131939 241166891 /nfs/dbraw/zinc/16/68/91/241166891.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 2 1 339.483 3.434 50 0 EGAAMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[NH+](C)C1 ZINC000216131939 241166896 /nfs/dbraw/zinc/16/68/96/241166896.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 2 1 339.483 3.434 50 0 EGAAMP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000216131939 241166901 /nfs/dbraw/zinc/16/69/01/241166901.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 2 1 339.483 3.434 50 0 EGAAMP C[NH+](Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000216131939 241166909 /nfs/dbraw/zinc/16/69/09/241166909.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 2 1 339.483 3.434 50 0 EGAAMP O[C@]12CC[NH2+]C[C@H]1C[N@H+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000091907322 218086726 /nfs/dbraw/zinc/08/67/26/218086726.db2.gz MXAYKGZFWJVGHV-RXVVDRJESA-N 2 1 338.451 3.025 50 0 EGAAMP O[C@]12CC[NH2+]C[C@H]1C[N@@H+](Cc1ccc(Oc3ccccc3)cc1)CC2 ZINC000091907322 218086729 /nfs/dbraw/zinc/08/67/29/218086729.db2.gz MXAYKGZFWJVGHV-RXVVDRJESA-N 2 1 338.451 3.025 50 0 EGAAMP OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091987546 218099962 /nfs/dbraw/zinc/09/99/62/218099962.db2.gz IHCCSRQHRMBFRI-NHCUHLMSSA-N 2 1 330.516 3.036 50 0 EGAAMP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC000097514996 219032404 /nfs/dbraw/zinc/03/24/04/219032404.db2.gz FOCYNOMDLDYTAQ-UHFFFAOYSA-N 2 1 336.414 3.400 50 0 EGAAMP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](C2CCCC2)CC1 ZINC000096153411 294152941 /nfs/dbraw/zinc/15/29/41/294152941.db2.gz JLWPKSQWCXHWDJ-UHFFFAOYSA-N 2 1 345.535 3.313 50 0 EGAAMP CCn1ccc2ccc(C[N@@H+]3CCC[C@@](O)(C[NH+]4CCCC4)C3)cc21 ZINC000077487765 454112202 /nfs/dbraw/zinc/11/22/02/454112202.db2.gz JOHZPSIVVVXPSR-OAQYLSRUSA-N 2 1 341.499 3.084 50 0 EGAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@@](O)(C[NH+]4CCCC4)C3)cc21 ZINC000077487765 454112206 /nfs/dbraw/zinc/11/22/06/454112206.db2.gz JOHZPSIVVVXPSR-OAQYLSRUSA-N 2 1 341.499 3.084 50 0 EGAAMP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1 ZINC000077564300 454123895 /nfs/dbraw/zinc/12/38/95/454123895.db2.gz HTBMGOKWGLPRQG-LJQANCHMSA-N 2 1 341.455 3.423 50 0 EGAAMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2C)cc1 ZINC000077564300 454123899 /nfs/dbraw/zinc/12/38/99/454123899.db2.gz HTBMGOKWGLPRQG-LJQANCHMSA-N 2 1 341.455 3.423 50 0 EGAAMP COc1cccc(C[C@H]2C[N@@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCO2)c1 ZINC000071767813 454217338 /nfs/dbraw/zinc/21/73/38/454217338.db2.gz GQEFAUNQZGEXTQ-IBGZPJMESA-N 2 1 346.515 3.248 50 0 EGAAMP COc1cccc(C[C@H]2C[N@H+](C3CC(C)(C)[NH2+]C(C)(C)C3)CCO2)c1 ZINC000071767813 454217340 /nfs/dbraw/zinc/21/73/40/454217340.db2.gz GQEFAUNQZGEXTQ-IBGZPJMESA-N 2 1 346.515 3.248 50 0 EGAAMP C[NH+](C)CC1(CO)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001772711744 1441417290 /nfs/dbraw/zinc/41/72/90/1441417290.db2.gz JTZZCHYSMUAZGL-UHFFFAOYSA-N 2 1 331.287 3.130 50 0 EGAAMP C[NH+](C)Cc1cccc(C[N@H+](C)Cc2cnc(N3CCCC3)s2)c1 ZINC000097698948 219049707 /nfs/dbraw/zinc/04/97/07/219049707.db2.gz CPFHDUQCCLMWND-UHFFFAOYSA-N 2 1 344.528 3.437 50 0 EGAAMP C[NH+](C)Cc1cccc(C[N@@H+](C)Cc2cnc(N3CCCC3)s2)c1 ZINC000097698948 219049710 /nfs/dbraw/zinc/04/97/10/219049710.db2.gz CPFHDUQCCLMWND-UHFFFAOYSA-N 2 1 344.528 3.437 50 0 EGAAMP Cc1cc(=O)oc2cc(C[N@H+]3CCC[C@@H](Cn4ccnc4)C3)ccc12 ZINC000067727019 215196633 /nfs/dbraw/zinc/19/66/33/215196633.db2.gz MIQXAZLQOAMYIF-QGZVFWFLSA-N 2 1 337.423 3.210 50 0 EGAAMP CCn1cc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cn1 ZINC000072463433 216245096 /nfs/dbraw/zinc/24/50/96/216245096.db2.gz YCQVYJNDVQRWOZ-UHFFFAOYSA-N 2 1 339.487 3.241 50 0 EGAAMP CCn1cc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)cn1 ZINC000072463433 216245098 /nfs/dbraw/zinc/24/50/98/216245098.db2.gz YCQVYJNDVQRWOZ-UHFFFAOYSA-N 2 1 339.487 3.241 50 0 EGAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110014 /nfs/dbraw/zinc/11/00/14/241110014.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 2 1 329.532 3.283 50 0 EGAAMP Cc1cc(C[NH+]2CCN(C)CC2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110016 /nfs/dbraw/zinc/11/00/16/241110016.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 2 1 329.532 3.283 50 0 EGAAMP Cc1cc(C[NH+]2CCN(C)CC2)c(C)c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110024 /nfs/dbraw/zinc/11/00/24/241110024.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 2 1 329.532 3.283 50 0 EGAAMP CC(C)[NH+]1CCC(N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000020780451 212171851 /nfs/dbraw/zinc/17/18/51/212171851.db2.gz UJLCYOXOMZPZFH-OAQYLSRUSA-N 2 1 329.532 3.456 50 0 EGAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000670453104 548218641 /nfs/dbraw/zinc/21/86/41/548218641.db2.gz SVNIAKDYPDHKMU-OAHLLOKOSA-N 2 1 346.906 3.488 50 0 EGAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)C[N@@H+](C)C1CCCC1 ZINC000952977371 1334628596 /nfs/dbraw/zinc/62/85/96/1334628596.db2.gz PYNKGNRHUTWZMS-UHFFFAOYSA-N 2 1 326.444 3.053 50 0 EGAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952977371 1334628599 /nfs/dbraw/zinc/62/85/99/1334628599.db2.gz PYNKGNRHUTWZMS-UHFFFAOYSA-N 2 1 326.444 3.053 50 0 EGAAMP Cc1cc(C)c(NC(=O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1 ZINC000003683975 210073723 /nfs/dbraw/zinc/07/37/23/210073723.db2.gz OFKLROIONDKPMH-UHFFFAOYSA-N 2 1 331.504 3.449 50 0 EGAAMP CC(C)[N@H+]1CCN(CC[NH+]2CCC(c3ccccc3)CC2)C[C@H]1C ZINC000039537221 213240024 /nfs/dbraw/zinc/24/00/24/213240024.db2.gz VMGXSAFRVRDTRG-LJQANCHMSA-N 2 1 329.532 3.281 50 0 EGAAMP Cc1cc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc(C)[nH+]1 ZINC000072479636 216258935 /nfs/dbraw/zinc/25/89/35/216258935.db2.gz SMJDGVXQVDYHMN-UHFFFAOYSA-N 2 1 337.427 3.004 50 0 EGAAMP Cc1cccc(C[NH+]2CCC(n3cc(C[NH+]4CCCC4)nn3)CC2)c1 ZINC000020865482 212179226 /nfs/dbraw/zinc/17/92/26/212179226.db2.gz WBCFKTREJTZQCL-UHFFFAOYSA-N 2 1 339.487 3.019 50 0 EGAAMP CCc1[nH]c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(C)[nH+]1 ZINC000019790910 212068136 /nfs/dbraw/zinc/06/81/36/212068136.db2.gz SSBBLWPLOULJMU-LJQANCHMSA-N 2 1 340.515 3.419 50 0 EGAAMP CCc1[nH]c(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c(C)[nH+]1 ZINC000019790910 212068138 /nfs/dbraw/zinc/06/81/38/212068138.db2.gz SSBBLWPLOULJMU-LJQANCHMSA-N 2 1 340.515 3.419 50 0 EGAAMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)CC1 ZINC000012429908 211377512 /nfs/dbraw/zinc/37/75/12/211377512.db2.gz DGINPQDJHXHVLV-GOSISDBHSA-N 2 1 335.536 3.022 50 0 EGAAMP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ncccc2Cl)C1 ZINC000095355500 218288993 /nfs/dbraw/zinc/28/89/93/218288993.db2.gz RHFHRAUMOYQDIB-OAHLLOKOSA-N 2 1 347.894 3.267 50 0 EGAAMP c1cn(Cc2cscn2)c([C@H]2CCCN(c3cc[nH+]cc3)C2)[nH+]1 ZINC000095378115 218311218 /nfs/dbraw/zinc/31/12/18/218311218.db2.gz DWPFCXYSCVITFV-AWEZNQCLSA-N 2 1 325.441 3.167 50 0 EGAAMP C[N@@H+](CCc1ccccn1)Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000299796639 258101154 /nfs/dbraw/zinc/10/11/54/258101154.db2.gz NVROHKOKFFDYGI-IBGZPJMESA-N 2 1 339.483 3.135 50 0 EGAAMP Fc1cccc([C@]2(C[NH+]3CCC([NH+]4CCCC4)CC3)CCOC2)c1 ZINC000019227363 453655742 /nfs/dbraw/zinc/65/57/42/453655742.db2.gz ISJCJNUFDJTTKK-FQEVSTJZSA-N 2 1 332.463 3.044 50 0 EGAAMP C[C@H]1C[C@@H](NCc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237697099 547257552 /nfs/dbraw/zinc/25/75/52/547257552.db2.gz MIXXOAYDBCWWDA-QFBILLFUSA-N 2 1 338.451 3.210 50 0 EGAAMP C[N@@H+](Cc1ccccc1OCC[NH+]1CCCCC1)CC1(C)COC1 ZINC000670454128 548218528 /nfs/dbraw/zinc/21/85/28/548218528.db2.gz TZNPXSXNLOJXPW-UHFFFAOYSA-N 2 1 332.488 3.020 50 0 EGAAMP O=C(C[NH+]1CCCCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012587794 1291133073 /nfs/dbraw/zinc/13/30/73/1291133073.db2.gz MNFNKNKMNNEDQX-IBGZPJMESA-N 2 1 335.536 3.023 50 0 EGAAMP Cc1cc(N2CCC[N@H+](Cc3cc(C[NH+](C)C)cs3)CC2)cc[nH+]1 ZINC000072171430 216062334 /nfs/dbraw/zinc/06/23/34/216062334.db2.gz ZBNIOZSILJYXQC-UHFFFAOYSA-N 3 1 344.528 3.225 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3cc(CN(C)C)cs3)CC2)cc[nH+]1 ZINC000072171430 216062337 /nfs/dbraw/zinc/06/23/37/216062337.db2.gz ZBNIOZSILJYXQC-UHFFFAOYSA-N 2 1 344.528 3.225 50 0 EGAAMP Cc1cc(N2CCC[N@H+](Cc3cc(CN(C)C)cs3)CC2)cc[nH+]1 ZINC000072171430 216062341 /nfs/dbraw/zinc/06/23/41/216062341.db2.gz ZBNIOZSILJYXQC-UHFFFAOYSA-N 2 1 344.528 3.225 50 0 EGAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000072476775 216254204 /nfs/dbraw/zinc/25/42/04/216254204.db2.gz OATRBZMYQUGOHD-KRWDZBQOSA-N 2 1 346.519 3.400 50 0 EGAAMP [NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000016052630 453592097 /nfs/dbraw/zinc/59/20/97/453592097.db2.gz RZIDZIGAXXNODG-UHFFFAOYSA-N 2 1 341.846 3.152 50 0 in-vivo EGAAMP CC1(C)CC([N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)CC(C)(C)[NH2+]1 ZINC000065526474 454584108 /nfs/dbraw/zinc/58/41/08/454584108.db2.gz VZOPYUQAZWJULF-ZWKOTPCHSA-N 2 1 334.479 3.285 50 0 EGAAMP CN1Cc2ccccc2C[C@H]1C[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000952989259 1334631403 /nfs/dbraw/zinc/63/14/03/1334631403.db2.gz QHESGQKBVVCTPK-NRFANRHFSA-N 2 1 341.543 3.287 50 0 EGAAMP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000072148417 216035078 /nfs/dbraw/zinc/03/50/78/216035078.db2.gz FTWALWUGDVOYMV-PZJWPPBQSA-N 2 1 327.516 3.382 50 0 EGAAMP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000072148417 216035081 /nfs/dbraw/zinc/03/50/81/216035081.db2.gz FTWALWUGDVOYMV-PZJWPPBQSA-N 2 1 327.516 3.382 50 0 EGAAMP OC[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091746556 218058699 /nfs/dbraw/zinc/05/86/99/218058699.db2.gz SFONKJZJGUOAJR-WOJBJXKFSA-N 2 1 341.499 3.084 50 0 EGAAMP CCCCSc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc(N)[nH+]1 ZINC000095372311 218305572 /nfs/dbraw/zinc/30/55/72/218305572.db2.gz CBHDLBLATXGXLF-CQSZACIVSA-N 2 1 335.521 3.016 50 0 EGAAMP c1cc(C[NH+]2CCN(c3cccnc3)CC2)sc1C[NH+]1CCCC1 ZINC000077340882 454094017 /nfs/dbraw/zinc/09/40/17/454094017.db2.gz LSQDUZYZHQMTSF-UHFFFAOYSA-N 2 1 342.512 3.061 50 0 EGAAMP C[NH+](C)C1(Cn2ccnc2-c2ccc3occc3c2)CC[NH+](C)CC1 ZINC000071771080 454216481 /nfs/dbraw/zinc/21/64/81/454216481.db2.gz MWNQZKPDDOLBEK-UHFFFAOYSA-N 2 1 338.455 3.322 50 0 EGAAMP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)C2CCOCC2)C1 ZINC000055199843 214289108 /nfs/dbraw/zinc/28/91/08/214289108.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 2 1 330.516 3.360 50 0 EGAAMP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)C2CCOCC2)C1 ZINC000055199843 214289112 /nfs/dbraw/zinc/28/91/12/214289112.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 2 1 330.516 3.360 50 0 EGAAMP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)C2CCOCC2)C1 ZINC000055199843 214289115 /nfs/dbraw/zinc/28/91/15/214289115.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 2 1 330.516 3.360 50 0 EGAAMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1Cc1cccnc1 ZINC000067589089 215166426 /nfs/dbraw/zinc/16/64/26/215166426.db2.gz MTQVQBLKVSGZEI-UHFFFAOYSA-N 2 1 338.499 3.124 50 0 EGAAMP Cc1nc(C[N@@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)co1 ZINC000072412375 216205277 /nfs/dbraw/zinc/20/52/77/216205277.db2.gz KHRCLAWWJNLWLM-UHFFFAOYSA-N 2 1 326.444 3.321 50 0 EGAAMP Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(C)[nH+]2)CC3)co1 ZINC000072412375 216205278 /nfs/dbraw/zinc/20/52/78/216205278.db2.gz KHRCLAWWJNLWLM-UHFFFAOYSA-N 2 1 326.444 3.321 50 0 EGAAMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1ccc(F)cc1 ZINC000008373857 453196916 /nfs/dbraw/zinc/19/69/16/453196916.db2.gz XXUMTMZOOIAIOX-UHFFFAOYSA-N 2 1 346.446 3.455 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000077504824 454115402 /nfs/dbraw/zinc/11/54/02/454115402.db2.gz BBWPRFWMGQMFDF-UHFFFAOYSA-N 2 1 337.427 3.085 50 0 EGAAMP CC(C)(C)c1cc(C[NH+]2CCN(CC[NH3+])CC2)cc(C(C)(C)C)c1O ZINC000022454529 1291214961 /nfs/dbraw/zinc/21/49/61/1291214961.db2.gz GTDASMFVPZLIRJ-UHFFFAOYSA-N 2 1 347.547 3.064 50 0 EGAAMP Clc1ccccc1[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072156440 1292276572 /nfs/dbraw/zinc/27/65/72/1292276572.db2.gz LJADESGAWOBVFW-CQSZACIVSA-N 2 1 330.863 3.019 50 0 EGAAMP Clc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072156440 1292276579 /nfs/dbraw/zinc/27/65/79/1292276579.db2.gz LJADESGAWOBVFW-CQSZACIVSA-N 2 1 330.863 3.019 50 0 EGAAMP Cc1ccc(-c2cccc(C[N@H+]3CCOC4(CC[NH2+]CC4)C3)c2)o1 ZINC000825197966 1320317395 /nfs/dbraw/zinc/31/73/95/1320317395.db2.gz XOFYKSDUJFUDCQ-UHFFFAOYSA-N 2 1 326.440 3.209 50 0 EGAAMP OC1(Cc2ccccc2)CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072159114 216048889 /nfs/dbraw/zinc/04/88/89/216048889.db2.gz KJUZRXQPRQHRBB-LEWJYISDSA-N 2 1 342.527 3.321 50 0 EGAAMP OC1(Cc2ccccc2)CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072159114 216048893 /nfs/dbraw/zinc/04/88/93/216048893.db2.gz KJUZRXQPRQHRBB-LEWJYISDSA-N 2 1 342.527 3.321 50 0 EGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174546 216065073 /nfs/dbraw/zinc/06/50/73/216065073.db2.gz DITADBCFKMQAFA-INIZCTEOSA-N 2 1 336.439 3.358 50 0 EGAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174546 216065077 /nfs/dbraw/zinc/06/50/77/216065077.db2.gz DITADBCFKMQAFA-INIZCTEOSA-N 2 1 336.439 3.358 50 0 EGAAMP CC(C)[N@H+]1CC[C@@H](C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758130 243075558 /nfs/dbraw/zinc/07/55/58/243075558.db2.gz OSWHYCPUVFPDGS-INIZCTEOSA-N 2 1 336.907 3.354 50 0 EGAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)cc[nH+]1 ZINC000095388220 218320568 /nfs/dbraw/zinc/32/05/68/218320568.db2.gz RTWUYEBIDBDBIK-QGZVFWFLSA-N 2 1 333.439 3.414 50 0 EGAAMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000005346699 452860643 /nfs/dbraw/zinc/86/06/43/452860643.db2.gz ZWNSEDPUMBGYBA-UHFFFAOYSA-N 2 1 327.432 3.053 50 0 EGAAMP C[N@H+](Cc1cnn2cccnc12)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000216518264 536485243 /nfs/dbraw/zinc/48/52/43/536485243.db2.gz YCNDRSMTYKPKAK-UHFFFAOYSA-N 2 1 349.482 3.073 50 0 EGAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000072134660 216024071 /nfs/dbraw/zinc/02/40/71/216024071.db2.gz JQDJUULYVWUMEM-NRFANRHFSA-N 2 1 346.515 3.287 50 0 EGAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409173 216201641 /nfs/dbraw/zinc/20/16/41/216201641.db2.gz AIDABWMDVYPEMH-NRFANRHFSA-N 2 1 336.479 3.212 50 0 EGAAMP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023192607 212359808 /nfs/dbraw/zinc/35/98/08/212359808.db2.gz OPESQIZQSYOBKF-ALQXMYAYSA-N 2 1 348.490 3.369 50 0 EGAAMP Cc1cc(CN2CC[NH+](C)CC2)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107254 /nfs/dbraw/zinc/10/72/54/241107254.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 2 1 329.532 3.283 50 0 EGAAMP Cc1cc(C[NH+]2CCN(C)CC2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107259 /nfs/dbraw/zinc/10/72/59/241107259.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 2 1 329.532 3.283 50 0 EGAAMP Cc1cc(C[NH+]2CCN(C)CC2)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107262 /nfs/dbraw/zinc/10/72/62/241107262.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 2 1 329.532 3.283 50 0 EGAAMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774138 243080102 /nfs/dbraw/zinc/08/01/02/243080102.db2.gz POLTVZZTSVBYPQ-CQSZACIVSA-N 2 1 341.858 3.224 50 0 EGAAMP CC[N@H+](C)C1(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000095384674 279029487 /nfs/dbraw/zinc/02/94/87/279029487.db2.gz KTXFWFMNJRLBPL-GOSISDBHSA-N 2 1 349.494 3.199 50 0 EGAAMP CC[N@@H+](C)C1(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000095384674 279029489 /nfs/dbraw/zinc/02/94/89/279029489.db2.gz KTXFWFMNJRLBPL-GOSISDBHSA-N 2 1 349.494 3.199 50 0 EGAAMP CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015079858 453554259 /nfs/dbraw/zinc/55/42/59/453554259.db2.gz UAWHPCCIKUMSNC-LJQANCHMSA-N 2 1 349.563 3.221 50 0 EGAAMP CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015079858 453554260 /nfs/dbraw/zinc/55/42/60/453554260.db2.gz UAWHPCCIKUMSNC-LJQANCHMSA-N 2 1 349.563 3.221 50 0 EGAAMP CCCc1cc(N2CCC([N@H+](C)C[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000095513245 454225082 /nfs/dbraw/zinc/22/50/82/454225082.db2.gz IQNMXVYGGKGLRT-LJQANCHMSA-N 2 1 346.519 3.207 50 0 EGAAMP CCCc1cc(N2CCC([N@@H+](C)C[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000095513245 454225083 /nfs/dbraw/zinc/22/50/83/454225083.db2.gz IQNMXVYGGKGLRT-LJQANCHMSA-N 2 1 346.519 3.207 50 0 EGAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000952873222 1334584574 /nfs/dbraw/zinc/58/45/74/1334584574.db2.gz IZYJZJFVACCLOL-UHFFFAOYSA-N 2 1 326.444 3.054 50 0 EGAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3cnn(-c4ccccc4)c3)C[C@@H]2C1 ZINC001704280277 1416419216 /nfs/dbraw/zinc/41/92/16/1416419216.db2.gz YFFBGJAIWHUNBP-GHSBBIOCSA-N 2 1 338.499 3.423 50 0 EGAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3cnc(-c4ccco4)nc3)C[C@@H]2C1 ZINC001704300583 1416432894 /nfs/dbraw/zinc/43/28/94/1416432894.db2.gz YAIGXQYOZKAQKQ-USTZCAOPSA-N 2 1 340.471 3.287 50 0 EGAAMP Cc1ccc2c(C)cc(N3CCOC4(CC[NH2+]CC4)C3)[nH+]c2c1C ZINC001704316067 1416440160 /nfs/dbraw/zinc/44/01/60/1416440160.db2.gz URBQDZHBFPELTL-UHFFFAOYSA-N 2 1 325.456 3.119 50 0 EGAAMP Cc1ccc2c(c1)c(C[NH2+]C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)nn2C ZINC000055107799 214273432 /nfs/dbraw/zinc/27/34/32/214273432.db2.gz WWJXIRFUHOIOGT-QFBILLFUSA-N 2 1 326.488 3.236 50 0 EGAAMP Cc1ccc2c(c1)c(C[NH2+]C[C@@H]1CCC[N@H+]3CCCC[C@H]13)nn2C ZINC000055107799 214273434 /nfs/dbraw/zinc/27/34/34/214273434.db2.gz WWJXIRFUHOIOGT-QFBILLFUSA-N 2 1 326.488 3.236 50 0 EGAAMP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cc1 ZINC000038344818 213207244 /nfs/dbraw/zinc/20/72/44/213207244.db2.gz UULXEKQLEPUSBO-MRXNPFEDSA-N 2 1 347.503 3.266 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3cccc4nccnc34)CC2)cc[nH+]1 ZINC000072121001 216013335 /nfs/dbraw/zinc/01/33/35/216013335.db2.gz HNXXQJWBGRDMQT-UHFFFAOYSA-N 2 1 333.439 3.046 50 0 EGAAMP [NH3+]CCc1cccc(C[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072409172 216200606 /nfs/dbraw/zinc/20/06/06/216200606.db2.gz AIDABWMDVYPEMH-OAQYLSRUSA-N 2 1 336.479 3.212 50 0 EGAAMP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000005350440 452863709 /nfs/dbraw/zinc/86/37/09/452863709.db2.gz PKMCPYVDVCAJRT-UHFFFAOYSA-N 2 1 337.471 3.460 50 0 EGAAMP COc1ccc2c(c1)C[C@H]([NH2+]CCCNc1ccc(C)c[nH+]1)CC2 ZINC000824751173 1320283498 /nfs/dbraw/zinc/28/34/98/1320283498.db2.gz YOKMJLAVSILFMB-GOSISDBHSA-N 2 1 325.456 3.348 50 0 EGAAMP COc1cccc(C[NH2+][C@H](C)c2ncccc2C)c1OCC[NH+](C)C ZINC000055414464 214322632 /nfs/dbraw/zinc/32/26/32/214322632.db2.gz PTWSJBSUKDVANP-MRXNPFEDSA-N 2 1 343.471 3.190 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072166638 216055810 /nfs/dbraw/zinc/05/58/10/216055810.db2.gz SCQHVHJRYBSAJV-HXUWFJFHSA-N 2 1 339.483 3.496 50 0 EGAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072166638 216055814 /nfs/dbraw/zinc/05/58/14/216055814.db2.gz SCQHVHJRYBSAJV-HXUWFJFHSA-N 2 1 339.483 3.496 50 0 EGAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000012324186 211346972 /nfs/dbraw/zinc/34/69/72/211346972.db2.gz TYOFUHARUWWTPR-UHFFFAOYSA-N 2 1 338.459 3.007 50 0 EGAAMP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000095358458 218292020 /nfs/dbraw/zinc/29/20/20/218292020.db2.gz GCHBEVIIHXHHSS-FQEVSTJZSA-N 2 1 343.515 3.163 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2nc3ccccc3nc2C)CC1 ZINC000077287121 454085803 /nfs/dbraw/zinc/08/58/03/454085803.db2.gz AILPEUIHHBVCGJ-UHFFFAOYSA-N 2 1 347.466 3.354 50 0 EGAAMP CCn1ccc2ccc(C[N@@H+]3CCC[C@](O)(C[NH+]4CCCC4)C3)cc21 ZINC000077487763 454111862 /nfs/dbraw/zinc/11/18/62/454111862.db2.gz JOHZPSIVVVXPSR-NRFANRHFSA-N 2 1 341.499 3.084 50 0 EGAAMP CCn1ccc2ccc(C[N@H+]3CCC[C@](O)(C[NH+]4CCCC4)C3)cc21 ZINC000077487763 454111867 /nfs/dbraw/zinc/11/18/67/454111867.db2.gz JOHZPSIVVVXPSR-NRFANRHFSA-N 2 1 341.499 3.084 50 0 EGAAMP Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1C ZINC000077486428 454112424 /nfs/dbraw/zinc/11/24/24/454112424.db2.gz YDUKZVPVAXFTTE-NRFANRHFSA-N 2 1 341.499 3.207 50 0 EGAAMP Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1C ZINC000077486428 454112426 /nfs/dbraw/zinc/11/24/26/454112426.db2.gz YDUKZVPVAXFTTE-NRFANRHFSA-N 2 1 341.499 3.207 50 0 EGAAMP Cc1ccc(C2(C[N@@H+](C)Cc3cccnc3Cl)CC[NH2+]CC2)nc1 ZINC000065431032 454567203 /nfs/dbraw/zinc/56/72/03/454567203.db2.gz BQRRLUMISLQPNQ-UHFFFAOYSA-N 2 1 344.890 3.192 50 0 EGAAMP CC[NH+](CC)Cc1cc(C(=O)NCC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000220286071 456039183 /nfs/dbraw/zinc/03/91/83/456039183.db2.gz MRQSWYAGBKRUGX-MRXNPFEDSA-N 2 1 335.492 3.034 50 0 EGAAMP C[N@@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)C[C@@H]1CCC[NH2+]C1 ZINC000426734040 457888317 /nfs/dbraw/zinc/88/83/17/457888317.db2.gz PIAKHGXECJKIQC-CQSZACIVSA-N 2 1 340.423 3.048 50 0 EGAAMP C[N@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)C[C@@H]1CCC[NH2+]C1 ZINC000426734040 457888323 /nfs/dbraw/zinc/88/83/23/457888323.db2.gz PIAKHGXECJKIQC-CQSZACIVSA-N 2 1 340.423 3.048 50 0 EGAAMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774137 536138056 /nfs/dbraw/zinc/13/80/56/536138056.db2.gz POLTVZZTSVBYPQ-AWEZNQCLSA-N 2 1 341.858 3.224 50 0 EGAAMP [NH3+][C@H]1CCC[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC001772807143 1441417382 /nfs/dbraw/zinc/41/73/82/1441417382.db2.gz JZUZYGXIDSWLPT-QAPCUYQASA-N 2 1 349.906 3.005 50 0 EGAAMP Cc1cc(Cl)cc2c(N3CCC4(CC3)C[N@@H+](C)CCO4)ccnc12 ZINC001772818809 1441417688 /nfs/dbraw/zinc/41/76/88/1441417688.db2.gz LMVIZVHFMURCSD-UHFFFAOYSA-N 2 1 345.874 3.498 50 0 EGAAMP Cc1cc(Cl)cc2c(N3CCC4(CC3)C[N@@H+](C)CCO4)cc[nH+]c12 ZINC001772818809 1441417690 /nfs/dbraw/zinc/41/76/90/1441417690.db2.gz LMVIZVHFMURCSD-UHFFFAOYSA-N 2 1 345.874 3.498 50 0 EGAAMP CC1(C)CC([N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654565 215175709 /nfs/dbraw/zinc/17/57/09/215175709.db2.gz KAMGYWNBURLGCV-HNNXBMFYSA-N 2 1 329.488 3.286 50 0 EGAAMP Cc1cc(N2CCC[N@H+](Cc3ccnc(C(C)C)n3)CC2)cc[nH+]1 ZINC000072149252 216037104 /nfs/dbraw/zinc/03/71/04/216037104.db2.gz URKWMGGZUDFEBY-UHFFFAOYSA-N 2 1 325.460 3.016 50 0 EGAAMP COc1ccc(C[N@H+](C)[C@H](C)c2ccncn2)cc1C[NH+]1CCCC1 ZINC000215195036 241112077 /nfs/dbraw/zinc/11/20/77/241112077.db2.gz INRDHTNWUISHHD-MRXNPFEDSA-N 2 1 340.471 3.274 50 0 EGAAMP COc1ccc(C[N@@H+](C)[C@H](C)c2ccncn2)cc1C[NH+]1CCCC1 ZINC000215195036 241112082 /nfs/dbraw/zinc/11/20/82/241112082.db2.gz INRDHTNWUISHHD-MRXNPFEDSA-N 2 1 340.471 3.274 50 0 EGAAMP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000219092684 241364849 /nfs/dbraw/zinc/36/48/49/241364849.db2.gz SONXESDBKQVIBL-UHFFFAOYSA-N 2 1 340.870 3.149 50 0 EGAAMP C[N@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262886 /nfs/dbraw/zinc/26/28/86/211262886.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 2 1 334.479 3.191 50 0 EGAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262891 /nfs/dbraw/zinc/26/28/91/211262891.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 2 1 334.479 3.191 50 0 EGAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262895 /nfs/dbraw/zinc/26/28/95/211262895.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 2 1 334.479 3.191 50 0 EGAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262898 /nfs/dbraw/zinc/26/28/98/211262898.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 2 1 334.479 3.191 50 0 EGAAMP Cc1c[nH+]ccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091738128 218055634 /nfs/dbraw/zinc/05/56/34/218055634.db2.gz YNGQQPNZHZWPPA-SFHVURJKSA-N 2 1 333.439 3.414 50 0 EGAAMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)o1 ZINC000012304139 1291131685 /nfs/dbraw/zinc/13/16/85/1291131685.db2.gz JFRCFCKZRQQABC-INIZCTEOSA-N 2 1 347.503 3.258 50 0 EGAAMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)o1 ZINC000012304139 1291131692 /nfs/dbraw/zinc/13/16/92/1291131692.db2.gz JFRCFCKZRQQABC-INIZCTEOSA-N 2 1 347.503 3.258 50 0 EGAAMP C[N@@H+](C[C@H]1CC(=O)N(C2CCCC2)C1)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067695545 215187774 /nfs/dbraw/zinc/18/77/74/215187774.db2.gz ZWENKWBNPXBAET-QGZVFWFLSA-N 2 1 347.547 3.022 50 0 EGAAMP Cc1cc(N2CCC[N@@H+](Cc3cnc(-c4ccco4)nc3)CC2)cc[nH+]1 ZINC000072135608 216025486 /nfs/dbraw/zinc/02/54/86/216025486.db2.gz VEIQDFBLPOSJGK-UHFFFAOYSA-N 2 1 349.438 3.152 50 0 EGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174545 216064593 /nfs/dbraw/zinc/06/45/93/216064593.db2.gz DITADBCFKMQAFA-MRXNPFEDSA-N 2 1 336.439 3.358 50 0 EGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174545 216064597 /nfs/dbraw/zinc/06/45/97/216064597.db2.gz DITADBCFKMQAFA-MRXNPFEDSA-N 2 1 336.439 3.358 50 0 EGAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425675 241191077 /nfs/dbraw/zinc/19/10/77/241191077.db2.gz LMJPIZDMUJNKLK-QFIPXVFZSA-N 2 1 338.495 3.207 50 0 EGAAMP OCC1(C[NH+]2CCCC2)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000218984817 241358575 /nfs/dbraw/zinc/35/85/75/241358575.db2.gz YSHLTHMAHGHGNH-UHFFFAOYSA-N 2 1 340.870 3.149 50 0 EGAAMP CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CC[NH+](C)CC1 ZINC000020455706 212132099 /nfs/dbraw/zinc/13/20/99/212132099.db2.gz GXOKOLKJYROUPX-LJQANCHMSA-N 2 1 347.522 3.106 50 0 EGAAMP COc1ccccc1OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000020255943 212114768 /nfs/dbraw/zinc/11/47/68/212114768.db2.gz WFJDTRRGGJBRGL-QGZVFWFLSA-N 2 1 332.488 3.413 50 0 EGAAMP COc1ccccc1OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000020255943 212114771 /nfs/dbraw/zinc/11/47/71/212114771.db2.gz WFJDTRRGGJBRGL-QGZVFWFLSA-N 2 1 332.488 3.413 50 0 EGAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)cc[nH+]1 ZINC000092046145 218110999 /nfs/dbraw/zinc/11/09/99/218110999.db2.gz SDXZQENEUQFJFL-GOSISDBHSA-N 2 1 333.439 3.414 50 0 EGAAMP Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1C ZINC000077486432 454112276 /nfs/dbraw/zinc/11/22/76/454112276.db2.gz YDUKZVPVAXFTTE-OAQYLSRUSA-N 2 1 341.499 3.207 50 0 EGAAMP Cc1[nH]c2c(cccc2C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1C ZINC000077486432 454112279 /nfs/dbraw/zinc/11/22/79/454112279.db2.gz YDUKZVPVAXFTTE-OAQYLSRUSA-N 2 1 341.499 3.207 50 0 EGAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cc(-c3ccncc3)no2)CC1 ZINC000252500784 455815203 /nfs/dbraw/zinc/81/52/03/455815203.db2.gz TVINHTHERFEUHK-UHFFFAOYSA-N 2 1 337.427 3.154 50 0 EGAAMP CC[C@@H]1C=CC[N@H+]1Cc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000952974936 1334628527 /nfs/dbraw/zinc/62/85/27/1334628527.db2.gz XHVILQPGFRFROG-HXUWFJFHSA-N 2 1 344.499 3.328 50 0 EGAAMP CC(C)([NH3+])c1nnc(NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC001772706204 1441417164 /nfs/dbraw/zinc/41/71/64/1441417164.db2.gz QOXDXECYCCHQQB-INIZCTEOSA-N 2 1 343.475 3.120 50 0 EGAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055134087 214277584 /nfs/dbraw/zinc/27/75/84/214277584.db2.gz FOXJPLGSIPQZNW-UHFFFAOYSA-N 2 1 335.455 3.391 50 0 EGAAMP C[NH+]1CCN([C@@H]2CC[N@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797543 219057606 /nfs/dbraw/zinc/05/76/06/219057606.db2.gz LGVYQQFDAHBXSO-JOCHJYFZSA-N 2 1 349.522 3.140 50 0 EGAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797543 219057607 /nfs/dbraw/zinc/05/76/07/219057607.db2.gz LGVYQQFDAHBXSO-JOCHJYFZSA-N 2 1 349.522 3.140 50 0 EGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150045 216037740 /nfs/dbraw/zinc/03/77/40/216037740.db2.gz QDUNHZDMQGAKKM-OAQYLSRUSA-N 2 1 349.482 3.349 50 0 EGAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150045 216037743 /nfs/dbraw/zinc/03/77/43/216037743.db2.gz QDUNHZDMQGAKKM-OAQYLSRUSA-N 2 1 349.482 3.349 50 0 EGAAMP C[C@H](C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1)[NH+]1CCCC1 ZINC000011840178 211254458 /nfs/dbraw/zinc/25/44/58/211254458.db2.gz VSPGPDXWEFPFKD-MRXNPFEDSA-N 2 1 340.471 3.433 50 0 EGAAMP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817883 211249205 /nfs/dbraw/zinc/24/92/05/211249205.db2.gz VCBQUWVOBWXPCG-QGZVFWFLSA-N 2 1 347.547 3.164 50 0 EGAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CCC(C)C)CC1 ZINC000091951547 218093299 /nfs/dbraw/zinc/09/32/99/218093299.db2.gz ZCZILYSEDIZJEV-UHFFFAOYSA-N 2 1 344.507 3.077 50 0 EGAAMP CCn1ccnc1C[N@@H+](C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000015078715 453555070 /nfs/dbraw/zinc/55/50/70/453555070.db2.gz IGJKPRUAXLUSNT-UHFFFAOYSA-N 2 1 330.476 3.148 50 0 EGAAMP CO[C@@H]1CC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000215764853 536686955 /nfs/dbraw/zinc/68/69/55/536686955.db2.gz MVFMMRSYILBNFH-HXUWFJFHSA-N 2 1 332.488 3.162 50 0 EGAAMP O=c1cc(C2CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc[nH]1 ZINC001772817677 1441417668 /nfs/dbraw/zinc/41/76/68/1441417668.db2.gz UOJIXUCFZHWUAB-RBUKOAKNSA-N 2 1 329.488 3.231 50 0 EGAAMP O=c1cc(C2CC[NH+](C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc[nH]1 ZINC001772817677 1441417669 /nfs/dbraw/zinc/41/76/69/1441417669.db2.gz UOJIXUCFZHWUAB-RBUKOAKNSA-N 2 1 329.488 3.231 50 0 EGAAMP