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+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC001139409255 768472393 /nfs/dbraw/zinc/47/23/93/768472393.db2.gz XYRHJRHWCPBBHX-SJLPKXTDSA-N 2 1 319.449 0.614 20 10 DCCDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046889 769972603 /nfs/dbraw/zinc/97/26/03/769972603.db2.gz JHYLMRCYYSBWHU-UKRRQHHQSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046889 769972609 /nfs/dbraw/zinc/97/26/09/769972609.db2.gz JHYLMRCYYSBWHU-UKRRQHHQSA-N 3 1 304.438 0.971 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(CO)CCOC3)cc2F)CC1 ZINC001321034525 946132781 /nfs/dbraw/zinc/13/27/81/946132781.db2.gz ATEVKJVSGVNHKR-QGZVFWFLSA-N 2 1 323.412 0.819 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CNC(=O)C3)cc2F)CC1 ZINC001560505407 1012451279 /nfs/dbraw/zinc/45/12/79/1012451279.db2.gz VDHLNHOAINTGEE-CQSZACIVSA-N 2 1 320.412 0.803 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)CC1 ZINC000877749403 668645402 /nfs/dbraw/zinc/64/54/02/668645402.db2.gz KBDFQGWNDBARNL-SJORKVTESA-N 2 1 305.422 0.366 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000841087739 671912382 /nfs/dbraw/zinc/91/23/82/671912382.db2.gz VPNDCGMTGFDEGV-GOSISDBHSA-N 3 1 318.465 0.907 20 10 DCCDMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845245 672348417 /nfs/dbraw/zinc/34/84/17/672348417.db2.gz WFOIHCIEGZVHHV-CHWSQXEVSA-N 2 1 312.410 0.991 20 10 DCCDMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845245 672348419 /nfs/dbraw/zinc/34/84/19/672348419.db2.gz WFOIHCIEGZVHHV-CHWSQXEVSA-N 2 1 312.410 0.991 20 10 DCCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)cc1C ZINC001125219811 751843630 /nfs/dbraw/zinc/84/36/30/751843630.db2.gz CEPDMANDNGEQRM-INIZCTEOSA-N 2 1 321.421 0.540 20 10 DCCDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC001125219811 751843635 /nfs/dbraw/zinc/84/36/35/751843635.db2.gz CEPDMANDNGEQRM-INIZCTEOSA-N 2 1 321.421 0.540 20 10 DCCDMP COc1ccc(N(C)CC[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC001118315073 766285803 /nfs/dbraw/zinc/28/58/03/766285803.db2.gz JTXDOYFRKOYAGV-UHFFFAOYSA-N 2 1 320.437 0.495 20 10 DCCDMP COc1ccc(N(C)CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC001118315073 766285807 /nfs/dbraw/zinc/28/58/07/766285807.db2.gz JTXDOYFRKOYAGV-UHFFFAOYSA-N 2 1 320.437 0.495 20 10 DCCDMP COc1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256346 768464197 /nfs/dbraw/zinc/46/41/97/768464197.db2.gz ZHTQDESFIUSXHM-KGLIPLIRSA-N 2 1 310.394 0.247 20 10 DCCDMP Oc1cc2c(cc1CN1CC[NH2+]C[C@]13CC[NH2+]C3)C[NH2+]CCO2 ZINC001234987360 769734294 /nfs/dbraw/zinc/73/42/94/769734294.db2.gz FXNXIEHTBBDZPH-QGZVFWFLSA-N 3 1 318.421 0.012 20 10 DCCDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236605838 770013916 /nfs/dbraw/zinc/01/39/16/770013916.db2.gz VNRVDKJHWJXNFS-QGZVFWFLSA-N 3 1 304.438 0.973 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205953237 773035665 /nfs/dbraw/zinc/03/56/65/773035665.db2.gz POVUAVVUKLAVTI-IAGOWNOFSA-N 3 1 304.438 0.332 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205953237 773035667 /nfs/dbraw/zinc/03/56/67/773035667.db2.gz POVUAVVUKLAVTI-IAGOWNOFSA-N 3 1 304.438 0.332 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320537002 945914655 /nfs/dbraw/zinc/91/46/55/945914655.db2.gz DCBOMCQFQAMUME-LSDHHAIUSA-N 2 1 323.412 0.505 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320537002 945914663 /nfs/dbraw/zinc/91/46/63/945914663.db2.gz DCBOMCQFQAMUME-LSDHHAIUSA-N 2 1 323.412 0.505 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C(N)=O)C3)cc2F)CC1 ZINC001253962732 946211300 /nfs/dbraw/zinc/21/13/00/946211300.db2.gz AAYFYPXCLVFLMZ-AWEZNQCLSA-N 2 1 320.412 0.885 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(N)=O)C3)cc2F)CC1 ZINC001253962732 946211313 /nfs/dbraw/zinc/21/13/13/946211313.db2.gz AAYFYPXCLVFLMZ-AWEZNQCLSA-N 2 1 320.412 0.885 20 10 DCCDMP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000866673401 667386358 /nfs/dbraw/zinc/38/63/58/667386358.db2.gz BOBFDOMJLSIZHO-UKRRQHHQSA-N 2 1 304.438 0.895 20 10 DCCDMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000866673401 667386360 /nfs/dbraw/zinc/38/63/60/667386360.db2.gz BOBFDOMJLSIZHO-UKRRQHHQSA-N 2 1 304.438 0.895 20 10 DCCDMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845248 672348431 /nfs/dbraw/zinc/34/84/31/672348431.db2.gz WFOIHCIEGZVHHV-STQMWFEESA-N 2 1 312.410 0.991 20 10 DCCDMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845248 672348432 /nfs/dbraw/zinc/34/84/32/672348432.db2.gz WFOIHCIEGZVHHV-STQMWFEESA-N 2 1 312.410 0.991 20 10 DCCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC001119316571 766632791 /nfs/dbraw/zinc/63/27/91/766632791.db2.gz OUNYBTRYXWBPHP-OAHLLOKOSA-N 2 1 320.462 0.717 20 10 DCCDMP C[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046890 769971857 /nfs/dbraw/zinc/97/18/57/769971857.db2.gz JHYLMRCYYSBWHU-ZFWWWQNUSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046890 769971861 /nfs/dbraw/zinc/97/18/61/769971861.db2.gz JHYLMRCYYSBWHU-ZFWWWQNUSA-N 3 1 304.438 0.971 20 10 DCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205681465 773006438 /nfs/dbraw/zinc/00/64/38/773006438.db2.gz JTFXIWOLYAPUET-SFHVURJKSA-N 3 1 318.465 0.772 20 10 DCCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206043579 773041887 /nfs/dbraw/zinc/04/18/87/773041887.db2.gz LWQOCXGPWPWRFC-CZUORRHYSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206043579 773041891 /nfs/dbraw/zinc/04/18/91/773041891.db2.gz LWQOCXGPWPWRFC-CZUORRHYSA-N 3 1 304.438 0.971 20 10 DCCDMP COC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001210051507 773671234 /nfs/dbraw/zinc/67/12/34/773671234.db2.gz QCDJKNFBRNMKJW-MRXNPFEDSA-N 2 1 304.438 0.516 20 10 DCCDMP COC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001210051507 773671236 /nfs/dbraw/zinc/67/12/36/773671236.db2.gz QCDJKNFBRNMKJW-MRXNPFEDSA-N 2 1 304.438 0.516 20 10 DCCDMP CN1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1=O ZINC001327212655 948423366 /nfs/dbraw/zinc/42/33/66/948423366.db2.gz HURSQZYDTYZNFX-CQSZACIVSA-N 2 1 320.412 0.898 20 10 DCCDMP C[N@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327418132 948504430 /nfs/dbraw/zinc/50/44/30/948504430.db2.gz FPBLLUNEXLHOFP-UHFFFAOYSA-N 2 1 308.401 0.885 20 10 DCCDMP C[N@@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327418132 948504436 /nfs/dbraw/zinc/50/44/36/948504436.db2.gz FPBLLUNEXLHOFP-UHFFFAOYSA-N 2 1 308.401 0.885 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CNC(=O)C3)cc2F)CC1 ZINC001560505406 1012448679 /nfs/dbraw/zinc/44/86/79/1012448679.db2.gz VDHLNHOAINTGEE-AWEZNQCLSA-N 2 1 320.412 0.803 20 10 DCCDMP CN(C)c1ccc([C@H]([NH3+])CNC2CCN(CC[NH3+])CC2)cc1 ZINC000904354447 663509903 /nfs/dbraw/zinc/50/99/03/663509903.db2.gz YQDWCAYMOYJSGY-QGZVFWFLSA-N 3 1 305.470 0.765 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)CCCO)cc2)CC1 ZINC000775692736 668866595 /nfs/dbraw/zinc/86/65/95/668866595.db2.gz OUCSLPZRUXAEFO-UHFFFAOYSA-N 2 1 307.438 0.615 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3CO)cc2)CC1 ZINC000775996805 668870023 /nfs/dbraw/zinc/87/00/23/668870023.db2.gz WIIAYFJCHDPBTE-DLBZAZTESA-N 2 1 305.422 0.366 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cc1 ZINC000829500528 671578177 /nfs/dbraw/zinc/57/81/77/671578177.db2.gz MRRMCWHVUNXNHR-CVEARBPZSA-N 2 1 318.421 0.281 20 10 DCCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+])cc1 ZINC000846664133 672334335 /nfs/dbraw/zinc/33/43/35/672334335.db2.gz VDZMDZRUCWSABQ-LBPRGKRZSA-N 2 1 300.353 0.853 20 10 DCCDMP CCNC(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118683975 766402316 /nfs/dbraw/zinc/40/23/16/766402316.db2.gz QMWKZDXZGAJBNM-UHFFFAOYSA-N 2 1 308.401 0.803 20 10 DCCDMP COc1cc(C)c(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235874133 769957444 /nfs/dbraw/zinc/95/74/44/769957444.db2.gz LDXAIMLEWXCKKD-UHFFFAOYSA-N 2 1 322.453 0.294 20 10 DCCDMP CN1CCOc2cc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])ccc21 ZINC001235999176 769966515 /nfs/dbraw/zinc/96/65/15/769966515.db2.gz YAJJZKCLFKPCHO-VMZNBEPHSA-N 2 1 303.406 0.921 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277879 772944107 /nfs/dbraw/zinc/94/41/07/772944107.db2.gz NQCGHTLJYNCRIQ-CYBMUJFWSA-N 2 1 307.394 0.740 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204277879 772944108 /nfs/dbraw/zinc/94/41/08/772944108.db2.gz NQCGHTLJYNCRIQ-CYBMUJFWSA-N 2 1 307.394 0.740 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206520324 773084141 /nfs/dbraw/zinc/08/41/41/773084141.db2.gz UJQWASBVADZKOG-RDJZCZTQSA-N 3 1 304.438 0.190 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206520324 773084145 /nfs/dbraw/zinc/08/41/45/773084145.db2.gz UJQWASBVADZKOG-RDJZCZTQSA-N 2 1 304.438 0.190 20 10 DCCDMP COc1cccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O ZINC000316075087 774918047 /nfs/dbraw/zinc/91/80/47/774918047.db2.gz IAUDEIBYPWLHQZ-CYBMUJFWSA-N 2 1 307.394 0.688 20 10 DCCDMP COc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc(O)c1O ZINC001222086490 775267085 /nfs/dbraw/zinc/26/70/85/775267085.db2.gz ZHFDCVOGOMVEQK-UHFFFAOYSA-N 2 1 307.394 0.634 20 10 DCCDMP Nc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001337838946 952921136 /nfs/dbraw/zinc/92/11/36/952921136.db2.gz WCCMXLCVWLNTRJ-KFWWJZLASA-N 2 1 302.378 0.636 20 10 DCCDMP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c1OC ZINC000892670179 659136254 /nfs/dbraw/zinc/13/62/54/659136254.db2.gz POERNTRKYFNPAM-CYBMUJFWSA-N 2 1 310.394 0.956 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCOCC[NH3+])cc1 ZINC000863554881 667157389 /nfs/dbraw/zinc/15/73/89/667157389.db2.gz JXSMXBCJHZHYHN-UHFFFAOYSA-N 2 1 322.453 0.618 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000863554881 667157390 /nfs/dbraw/zinc/15/73/90/667157390.db2.gz JXSMXBCJHZHYHN-UHFFFAOYSA-N 2 1 322.453 0.618 20 10 DCCDMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221570 670536229 /nfs/dbraw/zinc/53/62/29/670536229.db2.gz PKORXHMDNHLZLB-CVEARBPZSA-N 2 1 323.462 0.891 20 10 DCCDMP C[C@@H]1CNC[C@H](C)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001209873920 747022250 /nfs/dbraw/zinc/02/22/50/747022250.db2.gz HEIPOALZPKGOIS-OKILXGFUSA-N 2 1 304.438 0.984 20 10 DCCDMP C[C@@H]1CNC[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001209873920 747022256 /nfs/dbraw/zinc/02/22/56/747022256.db2.gz HEIPOALZPKGOIS-OKILXGFUSA-N 2 1 304.438 0.984 20 10 DCCDMP CN1CCN(c2ccc(CN3CCOC[C@@H](O)C3)c(F)c2)CC1 ZINC001236937313 770024483 /nfs/dbraw/zinc/02/44/83/770024483.db2.gz YYZNSVLLNCTCMC-INIZCTEOSA-N 2 1 323.412 0.771 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001218079240 774212098 /nfs/dbraw/zinc/21/20/98/774212098.db2.gz WXTQIDJEPDJAQJ-RDJZCZTQSA-N 2 1 302.422 0.521 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1O[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001218079240 774212101 /nfs/dbraw/zinc/21/21/01/774212101.db2.gz WXTQIDJEPDJAQJ-RDJZCZTQSA-N 2 1 302.422 0.521 20 10 DCCDMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000305219391 659225145 /nfs/dbraw/zinc/22/51/45/659225145.db2.gz KOWAJEKRLVCDRC-KRWDZBQOSA-N 2 1 307.438 0.925 20 10 DCCDMP CN1CCN(c2ccc(C[NH2+]CCN3CC[NH2+]CC3)cc2)CC1 ZINC000841045228 663043607 /nfs/dbraw/zinc/04/36/07/663043607.db2.gz PPOURDXLKOHNMB-UHFFFAOYSA-N 2 1 317.481 0.433 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000872255204 667883101 /nfs/dbraw/zinc/88/31/01/667883101.db2.gz RDBMCDGBLOJURQ-GUTXKFCHSA-N 2 1 303.362 0.759 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255733 768464346 /nfs/dbraw/zinc/46/43/46/768464346.db2.gz RSRIMCAUVXVYTC-UKRRQHHQSA-N 2 1 324.421 0.638 20 10 DCCDMP COc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c(OC)c1 ZINC001234994237 769738811 /nfs/dbraw/zinc/73/88/11/769738811.db2.gz QNCLKMFOHODMCS-INIZCTEOSA-N 2 1 307.394 0.547 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939170 769963243 /nfs/dbraw/zinc/96/32/43/769963243.db2.gz OBTZLDVMQZPQOY-GDBMZVCRSA-N 3 1 316.449 0.843 20 10 DCCDMP C[C@H]1C[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H](C)N1 ZINC001236424668 770011373 /nfs/dbraw/zinc/01/13/73/770011373.db2.gz PYPYKIDKVSGXGR-KBPBESRZSA-N 2 1 304.438 0.984 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)c(F)c2)CC1 ZINC001236935979 770024898 /nfs/dbraw/zinc/02/48/98/770024898.db2.gz MZHFXRPBJJJHQL-PBHICJAKSA-N 2 1 323.412 0.363 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923319202 667504446 /nfs/dbraw/zinc/50/44/46/667504446.db2.gz MMHKYWISXZWHOA-XIRDDKMYSA-N 2 1 305.422 0.806 20 10 DCCDMP COc1cc(C[N@@H+]2CCOC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254129 768463310 /nfs/dbraw/zinc/46/33/10/768463310.db2.gz FBMLXUATZSJFTO-CQSZACIVSA-N 2 1 310.394 0.656 20 10 DCCDMP COc1cc(C[N@H+]2CCOC[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254129 768463315 /nfs/dbraw/zinc/46/33/15/768463315.db2.gz FBMLXUATZSJFTO-CQSZACIVSA-N 2 1 310.394 0.656 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255717 768464091 /nfs/dbraw/zinc/46/40/91/768464091.db2.gz RSRIMCAUVXVYTC-DZGCQCFKSA-N 2 1 324.421 0.638 20 10 DCCDMP c1cc(N2CCOCC2)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234978832 769731242 /nfs/dbraw/zinc/73/12/42/769731242.db2.gz BLUXJNHAKXAMCJ-SFHVURJKSA-N 2 1 316.449 0.661 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235184767 769775418 /nfs/dbraw/zinc/77/54/18/769775418.db2.gz NMHVFWAIKGXKHW-ZBFHGGJFSA-N 3 1 316.449 0.843 20 10 DCCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCC[NH2+]1 ZINC001236100017 769979540 /nfs/dbraw/zinc/97/95/40/769979540.db2.gz AAQKPUCVWJPISW-AWEZNQCLSA-N 3 1 304.438 0.986 20 10 DCCDMP C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CCC[NH2+]1 ZINC001236100017 769979548 /nfs/dbraw/zinc/97/95/48/769979548.db2.gz AAQKPUCVWJPISW-AWEZNQCLSA-N 2 1 304.438 0.986 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CNCCO1 ZINC001205377399 772989915 /nfs/dbraw/zinc/98/99/15/772989915.db2.gz WQQTUCSTWQVBAQ-MRXNPFEDSA-N 2 1 320.437 0.222 20 10 DCCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1C[NH2+]CCO1 ZINC001205377399 772989917 /nfs/dbraw/zinc/98/99/17/772989917.db2.gz WQQTUCSTWQVBAQ-MRXNPFEDSA-N 2 1 320.437 0.222 20 10 DCCDMP O[C@]1(C[NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]C1 ZINC001245987810 945308015 /nfs/dbraw/zinc/30/80/15/945308015.db2.gz MELHALNMYRNVTL-QGZVFWFLSA-N 3 1 304.438 0.300 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN3CCO[C@H](C[NH3+])C3)cc2F)CC1 ZINC001328400136 948878149 /nfs/dbraw/zinc/87/81/49/948878149.db2.gz BVUUUMQTZDEBCU-OAHLLOKOSA-N 2 1 322.428 0.737 20 10 DCCDMP COc1ccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cc1F ZINC000923327785 667505398 /nfs/dbraw/zinc/50/53/98/667505398.db2.gz VUMFQGLOMJJRKL-CQDKDKBSSA-N 2 1 309.385 0.807 20 10 DCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569335 668367336 /nfs/dbraw/zinc/36/73/36/668367336.db2.gz RXYZPBHKGDAOPR-QGZVFWFLSA-N 2 1 323.412 0.819 20 10 DCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569335 668367341 /nfs/dbraw/zinc/36/73/41/668367341.db2.gz RXYZPBHKGDAOPR-QGZVFWFLSA-N 2 1 323.412 0.819 20 10 DCCDMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846220975 672301397 /nfs/dbraw/zinc/30/13/97/672301397.db2.gz FHGYSVVNNIXLGV-QGZVFWFLSA-N 2 1 307.438 0.925 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052060 769752677 /nfs/dbraw/zinc/75/26/77/769752677.db2.gz CTICZCLXOCCTEH-SFHVURJKSA-N 2 1 316.449 0.661 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052060 769752692 /nfs/dbraw/zinc/75/26/92/769752692.db2.gz CTICZCLXOCCTEH-SFHVURJKSA-N 2 1 316.449 0.661 20 10 DCCDMP CC1(C)CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235825224 769950141 /nfs/dbraw/zinc/95/01/41/769950141.db2.gz BMNSGACFAZNNRN-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP CC1(C)CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235825224 769950146 /nfs/dbraw/zinc/95/01/46/769950146.db2.gz BMNSGACFAZNNRN-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP CN(C)c1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)cc1 ZINC001235868361 769951739 /nfs/dbraw/zinc/95/17/39/769951739.db2.gz CVIHLAGVGRQQHW-UHFFFAOYSA-N 2 1 305.470 0.337 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)c(F)c2)CC1 ZINC001236935982 770023696 /nfs/dbraw/zinc/02/36/96/770023696.db2.gz MZHFXRPBJJJHQL-YOEHRIQHSA-N 2 1 323.412 0.363 20 10 DCCDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277989 773061759 /nfs/dbraw/zinc/06/17/59/773061759.db2.gz XGBCCGSMZLSVNV-AWEZNQCLSA-N 3 1 304.438 0.843 20 10 DCCDMP C[C@H]1C[NH2+]CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277989 773061763 /nfs/dbraw/zinc/06/17/63/773061763.db2.gz XGBCCGSMZLSVNV-AWEZNQCLSA-N 2 1 304.438 0.843 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(CO)CCOC3)cc2F)CC1 ZINC001321034523 946133293 /nfs/dbraw/zinc/13/32/93/946133293.db2.gz ATEVKJVSGVNHKR-KRWDZBQOSA-N 2 1 323.412 0.819 20 10 DCCDMP COc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)c(OC)c1 ZINC000866697147 667388062 /nfs/dbraw/zinc/38/80/62/667388062.db2.gz HKSICUKKDPYLQZ-UHFFFAOYSA-N 2 1 309.410 0.801 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC(=O)CC3)cc2)CC1 ZINC000775677787 668866355 /nfs/dbraw/zinc/86/63/55/668866355.db2.gz PTYFJBUJZUHGFH-UHFFFAOYSA-N 2 1 302.422 0.760 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000775745553 668867320 /nfs/dbraw/zinc/86/73/20/668867320.db2.gz XPNKIAAYEMHFPQ-OAHLLOKOSA-N 2 1 317.437 0.681 20 10 DCCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048175 672055763 /nfs/dbraw/zinc/05/57/63/672055763.db2.gz RVTBMYVEMQKLLU-LLVKDONJSA-N 2 1 321.377 0.408 20 10 DCCDMP COc1cc(O)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1OC ZINC000843124653 672064686 /nfs/dbraw/zinc/06/46/86/672064686.db2.gz IKRUYZLPCCHEQL-CQSZACIVSA-N 2 1 321.421 0.889 20 10 DCCDMP C[NH2+]C1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235790041 769947544 /nfs/dbraw/zinc/94/75/44/769947544.db2.gz ZFIDMLCXOFPNDB-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP Cc1cc(C[NH+]2CCNCC[NH2+]CCNCC2)ccc1N(C)C ZINC001235869785 769953261 /nfs/dbraw/zinc/95/32/61/769953261.db2.gz FAPCUWWJFSRLFG-UHFFFAOYSA-N 2 1 319.497 0.645 20 10 DCCDMP Oc1c(Cl)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870942 769955196 /nfs/dbraw/zinc/95/51/96/769955196.db2.gz NJZGAFRKQLUYIN-UHFFFAOYSA-N 2 1 312.845 0.630 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939172 769963251 /nfs/dbraw/zinc/96/32/51/769963251.db2.gz OBTZLDVMQZPQOY-HOCLYGCPSA-N 3 1 316.449 0.843 20 10 DCCDMP C[C@@H]1C[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H](C)N1 ZINC001236580039 770013834 /nfs/dbraw/zinc/01/38/34/770013834.db2.gz PYPYKIDKVSGXGR-ZIAGYGMSSA-N 2 1 304.438 0.984 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN3CCO[C@@H](C[NH3+])C3)cc2F)CC1 ZINC001328400135 948877578 /nfs/dbraw/zinc/87/75/78/948877578.db2.gz BVUUUMQTZDEBCU-HNNXBMFYSA-N 2 1 322.428 0.737 20 10 DCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001275112513 951959959 /nfs/dbraw/zinc/95/99/59/951959959.db2.gz HUAXCHIKDOOCLM-OLZOCXBDSA-N 2 1 321.421 0.871 20 10 DCCDMP CN(C)c1ccc(CNC(=O)C[N@H+](C)CCOCC[NH3+])cc1 ZINC000863555976 667157174 /nfs/dbraw/zinc/15/71/74/667157174.db2.gz YQPWCFFXBDLQIA-UHFFFAOYSA-N 2 1 308.426 0.276 20 10 DCCDMP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000863555976 667157178 /nfs/dbraw/zinc/15/71/78/667157178.db2.gz YQPWCFFXBDLQIA-UHFFFAOYSA-N 2 1 308.426 0.276 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841087670 671912111 /nfs/dbraw/zinc/91/21/11/671912111.db2.gz UZSQSUMRVFFPFL-KRWDZBQOSA-N 2 1 305.422 0.991 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)cc2)CC1 ZINC000841087740 671912323 /nfs/dbraw/zinc/91/23/23/671912323.db2.gz VPNDCGMTGFDEGV-SFHVURJKSA-N 3 1 318.465 0.907 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000843123355 672064830 /nfs/dbraw/zinc/06/48/30/672064830.db2.gz QINQHBUDKJHNRZ-ZDUSSCGKSA-N 2 1 305.378 0.600 20 10 DCCDMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001580885674 1165752846 /nfs/dbraw/zinc/75/28/46/1165752846.db2.gz KXRWDZDEUMRFIR-XJKSGUPXSA-N 2 1 309.385 0.332 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@@H](O)C3)cc2)CC1 ZINC001139409256 768472573 /nfs/dbraw/zinc/47/25/73/768472573.db2.gz XYRHJRHWCPBBHX-WMZOPIPTSA-N 2 1 319.449 0.614 20 10 DCCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236082156 769980075 /nfs/dbraw/zinc/98/00/75/769980075.db2.gz XCOCBPDNSDALQI-UHFFFAOYSA-N 3 1 320.437 0.211 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1CC[NH2+]C1 ZINC001235843143 769950798 /nfs/dbraw/zinc/95/07/98/769950798.db2.gz WISNPAVTDJYWJS-AWEZNQCLSA-N 3 1 304.438 0.843 20 10 DCCDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC001177719150 770531128 /nfs/dbraw/zinc/53/11/28/770531128.db2.gz UBWDIPKZUGCBOB-UHFFFAOYSA-N 2 1 303.406 0.875 20 10 DCCDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001205953311 773035691 /nfs/dbraw/zinc/03/56/91/773035691.db2.gz SYOVUJQBHBMWDY-HZPDHXFCSA-N 2 1 317.433 0.985 20 10 DCCDMP Nc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC001336285086 952671356 /nfs/dbraw/zinc/67/13/56/952671356.db2.gz HVFBLLXMMYKNAX-HNNXBMFYSA-N 2 1 302.422 0.913 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCC[NH3+])CC2)cc1 ZINC000269313216 396406842 /nfs/dbraw/zinc/40/68/42/396406842.db2.gz XQRXQUOFAOCRCM-UHFFFAOYSA-N 2 1 320.437 0.672 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(CO)(CO)C3)cc2)CC1 ZINC000827475095 671528992 /nfs/dbraw/zinc/52/89/92/671528992.db2.gz RKNHHUSZJCWEQC-UHFFFAOYSA-N 2 1 319.449 0.615 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841100176 671913148 /nfs/dbraw/zinc/91/31/48/671913148.db2.gz FHSQESFCQJZDCJ-SFHVURJKSA-N 3 1 318.465 0.988 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841100176 671913150 /nfs/dbraw/zinc/91/31/50/671913150.db2.gz FHSQESFCQJZDCJ-SFHVURJKSA-N 3 1 318.465 0.988 20 10 DCCDMP COc1c(O)c(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843052438 672056602 /nfs/dbraw/zinc/05/66/02/672056602.db2.gz KYMPFTMNCOOLJB-UHFFFAOYSA-N 2 1 324.381 0.646 20 10 DCCDMP COc1c(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843052438 672056607 /nfs/dbraw/zinc/05/66/07/672056607.db2.gz KYMPFTMNCOOLJB-UHFFFAOYSA-N 2 1 324.381 0.646 20 10 DCCDMP O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1C[NH2+]C1 ZINC001580838234 1165732080 /nfs/dbraw/zinc/73/20/80/1165732080.db2.gz OUNOHZVMXRVZGJ-VIFPVBQESA-N 2 1 313.760 0.847 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3O)cc2F)CC1 ZINC001119303896 766630296 /nfs/dbraw/zinc/63/02/96/766630296.db2.gz LKTVWDUIPWVZMY-ZBFHGGJFSA-N 2 1 309.385 0.427 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939171 769963265 /nfs/dbraw/zinc/96/32/65/769963265.db2.gz OBTZLDVMQZPQOY-GOEBONIOSA-N 3 1 316.449 0.843 20 10 DCCDMP C[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046888 769972556 /nfs/dbraw/zinc/97/25/56/769972556.db2.gz JHYLMRCYYSBWHU-HIFRSBDPSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046888 769972563 /nfs/dbraw/zinc/97/25/63/769972563.db2.gz JHYLMRCYYSBWHU-HIFRSBDPSA-N 3 1 304.438 0.971 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC001276537123 944200794 /nfs/dbraw/zinc/20/07/94/944200794.db2.gz CLVMGAOJDOGMMI-HOTGVXAUSA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@@H]21 ZINC001276537123 944200796 /nfs/dbraw/zinc/20/07/96/944200796.db2.gz CLVMGAOJDOGMMI-HOTGVXAUSA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)cc2F)CC1 ZINC001328707891 949039239 /nfs/dbraw/zinc/03/92/39/949039239.db2.gz IHXFZFKFKDBZII-OKILXGFUSA-N 2 1 320.412 0.931 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H]21 ZINC001275419351 952133387 /nfs/dbraw/zinc/13/33/87/952133387.db2.gz WAFOITVSWCDTSQ-WBVHZDCISA-N 2 1 321.421 0.544 20 10 DCCDMP CN(C)C(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308257843 960171026 /nfs/dbraw/zinc/17/10/26/960171026.db2.gz VVYDVLIDUSYUQD-UHFFFAOYSA-N 2 1 308.401 0.755 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)[NH3+])CC2)cc1 ZINC000272505284 334035836 /nfs/dbraw/zinc/03/58/36/334035836.db2.gz WOEUNDJPUUPBDM-ZDUSSCGKSA-N 2 1 306.410 0.281 20 10 DCCDMP COc1cc(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841094639 671912501 /nfs/dbraw/zinc/91/25/01/671912501.db2.gz ZRWDANAQNIZQOZ-SNVBAGLBSA-N 2 1 319.199 0.915 20 10 DCCDMP COc1cc(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])c1O ZINC000841094639 671912503 /nfs/dbraw/zinc/91/25/03/671912503.db2.gz ZRWDANAQNIZQOZ-SNVBAGLBSA-N 2 1 319.199 0.915 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1CNCCO1 ZINC001205376810 772989768 /nfs/dbraw/zinc/98/97/68/772989768.db2.gz OPHIHUPZZILMCO-QGZVFWFLSA-N 2 1 304.438 0.516 20 10 DCCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@H]1C[NH2+]CCO1 ZINC001205376810 772989770 /nfs/dbraw/zinc/98/97/70/772989770.db2.gz OPHIHUPZZILMCO-QGZVFWFLSA-N 2 1 304.438 0.516 20 10 DCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001206467933 773079276 /nfs/dbraw/zinc/07/92/76/773079276.db2.gz DROMPFNRAPHMLG-WMLDXEAASA-N 2 1 305.422 0.399 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(N)=O)C3)cc2)CC1 ZINC000775637251 668866170 /nfs/dbraw/zinc/86/61/70/668866170.db2.gz MMHUEMFIPGFKHK-HNNXBMFYSA-N 2 1 302.422 0.746 20 10 DCCDMP COC(=O)[C@@]1(N)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236276722 769987075 /nfs/dbraw/zinc/98/70/75/769987075.db2.gz MKCFRCRHBPWKMY-QGZVFWFLSA-N 2 1 318.421 0.172 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)c(F)c2)CC1 ZINC001236940115 770026233 /nfs/dbraw/zinc/02/62/33/770026233.db2.gz XZPYGEJOPOCHJB-CQSZACIVSA-N 2 1 320.412 0.885 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205958251 773035600 /nfs/dbraw/zinc/03/56/00/773035600.db2.gz AGMJASLRSAOSEW-QZTJIDSGSA-N 3 1 318.465 0.722 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001205958251 773035603 /nfs/dbraw/zinc/03/56/03/773035603.db2.gz AGMJASLRSAOSEW-QZTJIDSGSA-N 3 1 318.465 0.722 20 10 DCCDMP Nc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC001337838947 952921167 /nfs/dbraw/zinc/92/11/67/952921167.db2.gz WCCMXLCVWLNTRJ-ZNMIVQPWSA-N 2 1 302.378 0.636 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@@]3(C)CO)cc2)CC1 ZINC000895329321 662169758 /nfs/dbraw/zinc/16/97/58/662169758.db2.gz IYXITQUJUIBMNI-MSOLQXFVSA-N 2 1 319.449 0.756 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC000839165407 667734311 /nfs/dbraw/zinc/73/43/11/667734311.db2.gz JGBZIEQYJBYOQV-WBVHZDCISA-N 2 1 305.422 0.223 20 10 DCCDMP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000782969030 669134383 /nfs/dbraw/zinc/13/43/83/669134383.db2.gz TYHJCRHKJIAXMB-UHFFFAOYSA-N 2 1 300.410 0.857 20 10 DCCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC(F)(F)C[NH3+])cc1 ZINC000846664132 672334529 /nfs/dbraw/zinc/33/45/29/672334529.db2.gz VDZMDZRUCWSABQ-GFCCVEGCSA-N 2 1 300.353 0.853 20 10 DCCDMP COc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)c(O)cc1O ZINC001231635141 769270966 /nfs/dbraw/zinc/27/09/66/769270966.db2.gz WCQAYRVIYWSGNR-UHFFFAOYSA-N 2 1 309.410 0.786 20 10 DCCDMP CN1CCOc2cc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)ccc21 ZINC001234985760 769733280 /nfs/dbraw/zinc/73/32/80/769733280.db2.gz FNFYOLUJVGRJCU-QGZVFWFLSA-N 2 1 302.422 0.653 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)c(F)c2)CC1 ZINC001236935980 770024747 /nfs/dbraw/zinc/02/47/47/770024747.db2.gz MZHFXRPBJJJHQL-RHSMWYFYSA-N 2 1 323.412 0.363 20 10 DCCDMP COc1ccc(O)c(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c1 ZINC001203680162 772284474 /nfs/dbraw/zinc/28/44/74/772284474.db2.gz HSWLJGCZZXCAHC-UHFFFAOYSA-N 2 1 321.421 0.997 20 10 DCCDMP COc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001222094827 775267668 /nfs/dbraw/zinc/26/76/68/775267668.db2.gz KXGKEMTUZVGMRT-UHFFFAOYSA-N 2 1 321.421 0.937 20 10 DCCDMP COc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)cc1O ZINC001222506738 775371842 /nfs/dbraw/zinc/37/18/42/775371842.db2.gz CXWOGIWJZXWFSJ-STQMWFEESA-N 2 1 307.394 0.632 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3O)cc2F)CC1 ZINC001261903690 947480822 /nfs/dbraw/zinc/48/08/22/947480822.db2.gz HXKLIYZXZTYQKP-NVXWUHKLSA-N 2 1 323.412 0.817 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@]3(C)CO)cc2)CC1 ZINC000895329322 662169926 /nfs/dbraw/zinc/16/99/26/662169926.db2.gz IYXITQUJUIBMNI-QZTJIDSGSA-N 2 1 319.449 0.756 20 10 DCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364328 668609481 /nfs/dbraw/zinc/60/94/81/668609481.db2.gz LTVFQYZBIZNBEF-GOSISDBHSA-N 2 1 319.449 0.804 20 10 DCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364328 668609485 /nfs/dbraw/zinc/60/94/85/668609485.db2.gz LTVFQYZBIZNBEF-GOSISDBHSA-N 2 1 319.449 0.804 20 10 DCCDMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221572 670536172 /nfs/dbraw/zinc/53/61/72/670536172.db2.gz PKORXHMDNHLZLB-HZPDHXFCSA-N 2 1 323.462 0.891 20 10 DCCDMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846220971 672301692 /nfs/dbraw/zinc/30/16/92/672301692.db2.gz FHGYSVVNNIXLGV-KRWDZBQOSA-N 2 1 307.438 0.925 20 10 DCCDMP COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234989560 769736851 /nfs/dbraw/zinc/73/68/51/769736851.db2.gz PSUZLEAUCGVAEC-KRWDZBQOSA-N 2 1 304.438 0.899 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053082 769751375 /nfs/dbraw/zinc/75/13/75/769751375.db2.gz JBZKNSDOVBFQGP-GOSISDBHSA-N 3 1 315.465 0.234 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235053082 769751382 /nfs/dbraw/zinc/75/13/82/769751382.db2.gz JBZKNSDOVBFQGP-GOSISDBHSA-N 3 1 315.465 0.234 20 10 DCCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H](C)N1 ZINC001235902948 769960339 /nfs/dbraw/zinc/96/03/39/769960339.db2.gz PYPYKIDKVSGXGR-OKILXGFUSA-N 2 1 304.438 0.984 20 10 DCCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H](C)N1 ZINC001235902948 769960344 /nfs/dbraw/zinc/96/03/44/769960344.db2.gz PYPYKIDKVSGXGR-OKILXGFUSA-N 2 1 304.438 0.984 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCOC3)cc2F)CC1 ZINC001321337481 946281785 /nfs/dbraw/zinc/28/17/85/946281785.db2.gz BYPZLPFIVOXRIC-KRWDZBQOSA-N 2 1 323.412 0.819 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[NH3+])CC2)cc1 ZINC000295209167 396685412 /nfs/dbraw/zinc/68/54/12/396685412.db2.gz PVSQDEGRXJVSHU-UHFFFAOYSA-N 2 1 306.410 0.282 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516089 766966114 /nfs/dbraw/zinc/96/61/14/766966114.db2.gz OYNFPIPNNDXSCO-LLVKDONJSA-N 2 1 323.393 0.446 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144516089 766966120 /nfs/dbraw/zinc/96/61/20/766966120.db2.gz OYNFPIPNNDXSCO-LLVKDONJSA-N 2 1 323.393 0.446 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053083 769752173 /nfs/dbraw/zinc/75/21/73/769752173.db2.gz JBZKNSDOVBFQGP-SFHVURJKSA-N 3 1 315.465 0.234 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235053083 769752179 /nfs/dbraw/zinc/75/21/79/769752179.db2.gz JBZKNSDOVBFQGP-SFHVURJKSA-N 3 1 315.465 0.234 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C3C[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235340427 769820174 /nfs/dbraw/zinc/82/01/74/769820174.db2.gz IVXUNNRQSWBFME-LBPRGKRZSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCNC2(CC2)C1 ZINC001235935221 769963576 /nfs/dbraw/zinc/96/35/76/769963576.db2.gz GAUZJMCRJSZYGQ-UHFFFAOYSA-N 2 1 302.422 0.740 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCNC2(CC2)C1 ZINC001235935221 769963581 /nfs/dbraw/zinc/96/35/81/769963581.db2.gz GAUZJMCRJSZYGQ-UHFFFAOYSA-N 2 1 302.422 0.740 20 10 DCCDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277999 773061287 /nfs/dbraw/zinc/06/12/87/773061287.db2.gz XGBCCGSMZLSVNV-CQSZACIVSA-N 3 1 304.438 0.843 20 10 DCCDMP C[C@@H]1C[NH2+]CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001206277999 773061291 /nfs/dbraw/zinc/06/12/91/773061291.db2.gz XGBCCGSMZLSVNV-CQSZACIVSA-N 2 1 304.438 0.843 20 10 DCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1O ZINC001206519424 773084209 /nfs/dbraw/zinc/08/42/09/773084209.db2.gz KZECWDIWNWPNAO-HOCLYGCPSA-N 2 1 317.433 0.842 20 10 DCCDMP COc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)cc1O ZINC001222099708 775272558 /nfs/dbraw/zinc/27/25/58/775272558.db2.gz JSLLRAGRQCABIH-UHFFFAOYSA-N 2 1 307.394 0.634 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320406969 945864613 /nfs/dbraw/zinc/86/46/13/945864613.db2.gz DCBOMCQFQAMUME-GJZGRUSLSA-N 2 1 323.412 0.505 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)cc2F)CC1 ZINC001320406969 945864625 /nfs/dbraw/zinc/86/46/25/945864625.db2.gz DCBOMCQFQAMUME-GJZGRUSLSA-N 2 1 323.412 0.505 20 10 DCCDMP COc1c(O)c(C[NH2+]CCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841028481 662910014 /nfs/dbraw/zinc/91/00/14/662910014.db2.gz HBNBJZNNBDVLLZ-UHFFFAOYSA-N 2 1 324.381 0.694 20 10 DCCDMP COc1cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254305 768463075 /nfs/dbraw/zinc/46/30/75/768463075.db2.gz GDQSTRZZTZPEGP-GJZGRUSLSA-N 2 1 324.421 0.638 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254305 768463081 /nfs/dbraw/zinc/46/30/81/768463081.db2.gz GDQSTRZZTZPEGP-GJZGRUSLSA-N 2 1 324.421 0.638 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235342102 769822066 /nfs/dbraw/zinc/82/20/66/769822066.db2.gz SRBZUHHYKUIKNX-CQSZACIVSA-N 3 1 316.449 0.843 20 10 DCCDMP Cc1cc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235869742 769953511 /nfs/dbraw/zinc/95/35/11/769953511.db2.gz FZVGPVRJVBCPLR-UHFFFAOYSA-N 2 1 306.454 0.593 20 10 DCCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@@H](C1)N3)C[NH2+]CCO2 ZINC001235985549 769965042 /nfs/dbraw/zinc/96/50/42/769965042.db2.gz LJHYPUMIMAASSD-LSDHHAIUSA-N 2 1 319.405 0.437 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3COC[C@@H](C1)N3)C[NH2+]CCO2 ZINC001235985549 769965047 /nfs/dbraw/zinc/96/50/47/769965047.db2.gz LJHYPUMIMAASSD-LSDHHAIUSA-N 2 1 319.405 0.437 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469833 773079846 /nfs/dbraw/zinc/07/98/46/773079846.db2.gz UJQWASBVADZKOG-DOTOQJQBSA-N 3 1 304.438 0.190 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469833 773079850 /nfs/dbraw/zinc/07/98/50/773079850.db2.gz UJQWASBVADZKOG-DOTOQJQBSA-N 2 1 304.438 0.190 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H](C1)O2 ZINC001275267861 952035716 /nfs/dbraw/zinc/03/57/16/952035716.db2.gz ZFZIJCKKRKSUCL-IYBDPMFKSA-N 2 1 305.422 0.839 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)C[NH3+])CC2)cc1 ZINC000285984668 536698053 /nfs/dbraw/zinc/69/80/53/536698053.db2.gz HXWVPULXRGBQAH-AWEZNQCLSA-N 2 1 320.437 0.528 20 10 DCCDMP COc1cc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000843044558 672055956 /nfs/dbraw/zinc/05/59/56/672055956.db2.gz IZIWXWXMZGFLAX-UHFFFAOYSA-N 2 1 323.393 0.273 20 10 DCCDMP COc1cc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000843044558 672055959 /nfs/dbraw/zinc/05/59/59/672055959.db2.gz IZIWXWXMZGFLAX-UHFFFAOYSA-N 2 1 323.393 0.273 20 10 DCCDMP Oc1cc2c(cc1CN1CC[NH2+]C[C@@]13CC[NH2+]C3)C[NH2+]CCO2 ZINC001234987357 769734769 /nfs/dbraw/zinc/73/47/69/769734769.db2.gz FXNXIEHTBBDZPH-KRWDZBQOSA-N 3 1 318.421 0.012 20 10 DCCDMP COC(=O)Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234995590 769738330 /nfs/dbraw/zinc/73/83/30/769738330.db2.gz XERVVUFMLYNLON-QGZVFWFLSA-N 2 1 319.405 0.245 20 10 DCCDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001235676502 769929911 /nfs/dbraw/zinc/92/99/11/769929911.db2.gz RPQGLQICXLFSLT-AWEZNQCLSA-N 3 1 304.438 0.973 20 10 DCCDMP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991395 769964614 /nfs/dbraw/zinc/96/46/14/769964614.db2.gz OEMRHYJZKYRBBH-WMLDXEAASA-N 3 1 302.422 0.725 20 10 DCCDMP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991395 769964624 /nfs/dbraw/zinc/96/46/24/769964624.db2.gz OEMRHYJZKYRBBH-WMLDXEAASA-N 3 1 302.422 0.725 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@@H](O)CO ZINC001236934102 770024854 /nfs/dbraw/zinc/02/48/54/770024854.db2.gz CMJNJDXNKSKEGT-OAHLLOKOSA-N 2 1 311.401 0.363 20 10 DCCDMP COc1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001203628907 772916621 /nfs/dbraw/zinc/91/66/21/772916621.db2.gz KJXHXXKGZPNJJN-UHFFFAOYSA-N 2 1 321.421 0.997 20 10 DCCDMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCO1 ZINC001204756905 772960618 /nfs/dbraw/zinc/96/06/18/772960618.db2.gz SSHVMPHJZHOKMY-QGZVFWFLSA-N 3 1 304.438 0.646 20 10 DCCDMP [NH3+]CC[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CCO1 ZINC001204756905 772960622 /nfs/dbraw/zinc/96/06/22/772960622.db2.gz SSHVMPHJZHOKMY-QGZVFWFLSA-N 2 1 304.438 0.646 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1OC ZINC001222510891 775371984 /nfs/dbraw/zinc/37/19/84/775371984.db2.gz JGVJJPIUPJCUAT-KBPBESRZSA-N 2 1 321.421 0.935 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCNC1=O ZINC000775742556 668867224 /nfs/dbraw/zinc/86/72/24/668867224.db2.gz ATIFRBYQJWDCBI-MRXNPFEDSA-N 2 1 302.422 0.759 20 10 DCCDMP COc1cccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000316075089 774918275 /nfs/dbraw/zinc/91/82/75/774918275.db2.gz IAUDEIBYPWLHQZ-ZDUSSCGKSA-N 2 1 307.394 0.688 20 10 DCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)c(O)c(O)c1)C2 ZINC001276833451 944319537 /nfs/dbraw/zinc/31/95/37/944319537.db2.gz NTKIBKUXDRCKAR-KGLIPLIRSA-N 2 1 321.421 0.871 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001275821731 952478997 /nfs/dbraw/zinc/47/89/97/952478997.db2.gz YHBJPEGNRYFCEV-PBHICJAKSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001275821731 952479000 /nfs/dbraw/zinc/47/90/00/952479000.db2.gz YHBJPEGNRYFCEV-PBHICJAKSA-N 2 1 321.421 0.544 20 10 DCCDMP COc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c(OC)c1 ZINC001234994238 769738220 /nfs/dbraw/zinc/73/82/20/769738220.db2.gz QNCLKMFOHODMCS-MRXNPFEDSA-N 2 1 307.394 0.547 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262325 769793632 /nfs/dbraw/zinc/79/36/32/769793632.db2.gz QLCMRTYDBUPKIJ-GDBMZVCRSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235262325 769793640 /nfs/dbraw/zinc/79/36/40/769793640.db2.gz QLCMRTYDBUPKIJ-GDBMZVCRSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)N3)C[NH2+]CCO2 ZINC001235299969 769798154 /nfs/dbraw/zinc/79/81/54/769798154.db2.gz NRHPNTLCNVWCFH-OKILXGFUSA-N 2 1 305.378 0.047 20 10 DCCDMP COC(=O)[C@]1(N)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236276721 769987951 /nfs/dbraw/zinc/98/79/51/769987951.db2.gz MKCFRCRHBPWKMY-KRWDZBQOSA-N 2 1 318.421 0.172 20 10 DCCDMP O[C@@]1(C[NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CCC[NH2+]C1 ZINC001245987807 945306643 /nfs/dbraw/zinc/30/66/43/945306643.db2.gz MELHALNMYRNVTL-KRWDZBQOSA-N 3 1 304.438 0.300 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC000839165405 667734397 /nfs/dbraw/zinc/73/43/97/667734397.db2.gz JGBZIEQYJBYOQV-NVXWUHKLSA-N 2 1 305.422 0.223 20 10 DCCDMP COCCNCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841047714 671910305 /nfs/dbraw/zinc/91/03/05/671910305.db2.gz HJPPVAGCDRNBSV-UHFFFAOYSA-N 2 1 306.454 0.764 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000841100175 671912887 /nfs/dbraw/zinc/91/28/87/671912887.db2.gz FHSQESFCQJZDCJ-GOSISDBHSA-N 3 1 318.465 0.988 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000841100175 671912893 /nfs/dbraw/zinc/91/28/93/671912893.db2.gz FHSQESFCQJZDCJ-GOSISDBHSA-N 3 1 318.465 0.988 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)cc2)CC1 ZINC001140302407 768524449 /nfs/dbraw/zinc/52/44/49/768524449.db2.gz RFDWDRXIXALLPO-AEFFLSMTSA-N 2 1 319.449 0.614 20 10 DCCDMP CC[C@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774575 769947412 /nfs/dbraw/zinc/94/74/12/769947412.db2.gz RVIOWFNUSHWENP-HNNXBMFYSA-N 2 1 304.438 0.986 20 10 DCCDMP CC[C@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774575 769947420 /nfs/dbraw/zinc/94/74/20/769947420.db2.gz RVIOWFNUSHWENP-HNNXBMFYSA-N 2 1 304.438 0.986 20 10 DCCDMP CCOc1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235874401 769957753 /nfs/dbraw/zinc/95/77/53/769957753.db2.gz PKLWASFWLFSUIS-UHFFFAOYSA-N 2 1 322.453 0.375 20 10 DCCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CNCCO1 ZINC001205539367 772999440 /nfs/dbraw/zinc/99/94/40/772999440.db2.gz XOBDZRGMWUIFPD-CQSZACIVSA-N 2 1 307.394 0.294 20 10 DCCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@H]1CNCCO1 ZINC001205539367 772999442 /nfs/dbraw/zinc/99/94/42/772999442.db2.gz XOBDZRGMWUIFPD-CQSZACIVSA-N 2 1 307.394 0.294 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCCN3)cc2F)CC1 ZINC001261835307 947455484 /nfs/dbraw/zinc/45/54/84/947455484.db2.gz QIZYRECCYPBQBT-OAHLLOKOSA-N 2 1 322.428 0.656 20 10 DCCDMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000305219392 659225443 /nfs/dbraw/zinc/22/54/43/659225443.db2.gz KOWAJEKRLVCDRC-QGZVFWFLSA-N 2 1 307.438 0.925 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939174 769962835 /nfs/dbraw/zinc/96/28/35/769962835.db2.gz OBTZLDVMQZPQOY-ZBFHGGJFSA-N 3 1 316.449 0.843 20 10 DCCDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236065936 769976743 /nfs/dbraw/zinc/97/67/43/769976743.db2.gz CVHSTHJAXNXGPU-AWEZNQCLSA-N 3 1 304.438 0.843 20 10 DCCDMP COC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001210051750 773671259 /nfs/dbraw/zinc/67/12/59/773671259.db2.gz SQDSFBGTDVKZMX-OAHLLOKOSA-N 2 1 320.437 0.222 20 10 DCCDMP COC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210051750 773671262 /nfs/dbraw/zinc/67/12/62/773671262.db2.gz SQDSFBGTDVKZMX-OAHLLOKOSA-N 2 1 320.437 0.222 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(O)c(O)cc3O)[C@@H]2C1 ZINC001276517029 944196412 /nfs/dbraw/zinc/19/64/12/944196412.db2.gz ZTOSXLPUBWQORV-GXTWGEPZSA-N 2 1 321.421 0.871 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCNC3=O)cc2F)CC1 ZINC001327952080 948674676 /nfs/dbraw/zinc/67/46/76/948674676.db2.gz LPSXOVMIIBIVEB-HNNXBMFYSA-N 2 1 320.412 0.946 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@@H]21 ZINC001275952954 952557297 /nfs/dbraw/zinc/55/72/97/952557297.db2.gz QAKNJEHFGQJEHK-RDJZCZTQSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN(CC[NH3+])CCO)cc2F)CC1 ZINC001118019993 766196901 /nfs/dbraw/zinc/19/69/01/766196901.db2.gz SLJBMYAYPVPQIV-UHFFFAOYSA-N 2 1 310.417 0.331 20 10 DCCDMP COC(=O)Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062306 769755891 /nfs/dbraw/zinc/75/58/91/769755891.db2.gz MATSUKTUBLPSBV-KRWDZBQOSA-N 2 1 319.405 0.245 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062306 769755901 /nfs/dbraw/zinc/75/59/01/769755901.db2.gz MATSUKTUBLPSBV-KRWDZBQOSA-N 2 1 319.405 0.245 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CC[NH2+]C1 ZINC001235843145 769950594 /nfs/dbraw/zinc/95/05/94/769950594.db2.gz WISNPAVTDJYWJS-CQSZACIVSA-N 3 1 304.438 0.843 20 10 DCCDMP COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000315902389 774904242 /nfs/dbraw/zinc/90/42/42/774904242.db2.gz MOTWMMOYNWEDFP-GFCCVEGCSA-N 2 1 307.394 0.688 20 10 DCCDMP COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843048170 672056122 /nfs/dbraw/zinc/05/61/22/672056122.db2.gz ROFLGIOUEJHJNX-GFCCVEGCSA-N 2 1 307.394 0.688 20 10 DCCDMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845246 672348303 /nfs/dbraw/zinc/34/83/03/672348303.db2.gz WFOIHCIEGZVHHV-OLZOCXBDSA-N 2 1 312.410 0.991 20 10 DCCDMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000846845246 672348306 /nfs/dbraw/zinc/34/83/06/672348306.db2.gz WFOIHCIEGZVHHV-OLZOCXBDSA-N 2 1 312.410 0.991 20 10 DCCDMP CN1CCOc2cc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)ccc21 ZINC001234985759 769732669 /nfs/dbraw/zinc/73/26/69/769732669.db2.gz FNFYOLUJVGRJCU-KRWDZBQOSA-N 2 1 302.422 0.653 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1OC ZINC001234994045 769738148 /nfs/dbraw/zinc/73/81/48/769738148.db2.gz XCVYXDPTRUONGQ-INIZCTEOSA-N 2 1 307.394 0.547 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235342100 769821178 /nfs/dbraw/zinc/82/11/78/769821178.db2.gz SRBZUHHYKUIKNX-AWEZNQCLSA-N 3 1 316.449 0.843 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001235986629 769964717 /nfs/dbraw/zinc/96/47/17/769964717.db2.gz QIRNMHZRPWNZMV-DLBZAZTESA-N 2 1 316.449 0.659 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2COC[C@@H](C1)[NH2+]2 ZINC001235986629 769964724 /nfs/dbraw/zinc/96/47/24/769964724.db2.gz QIRNMHZRPWNZMV-DLBZAZTESA-N 2 1 316.449 0.659 20 10 DCCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]12 ZINC001236830590 770019984 /nfs/dbraw/zinc/01/99/84/770019984.db2.gz OAWURJFENDJKQN-KBRIMQKVSA-N 3 1 316.449 0.971 20 10 DCCDMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccccc1O ZINC001219765795 774601027 /nfs/dbraw/zinc/60/10/27/774601027.db2.gz BVIDYWYRMBHRAB-VNHYZAJKSA-N 2 1 318.421 0.192 20 10 DCCDMP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccccc1O ZINC001219765795 774601028 /nfs/dbraw/zinc/60/10/28/774601028.db2.gz BVIDYWYRMBHRAB-VNHYZAJKSA-N 2 1 318.421 0.192 20 10 DCCDMP CN(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222099351 775269706 /nfs/dbraw/zinc/26/97/06/775269706.db2.gz BOUUYMAXKGBFRS-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(O)CCOC3)cc2F)CC1 ZINC001321337484 946282475 /nfs/dbraw/zinc/28/24/75/946282475.db2.gz BYPZLPFIVOXRIC-QGZVFWFLSA-N 2 1 323.412 0.819 20 10 DCCDMP C[NH+]1CCN(c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2F)CC1 ZINC001326075753 948043216 /nfs/dbraw/zinc/04/32/16/948043216.db2.gz SDJHWSQYUFJEML-HALDLXJZSA-N 2 1 304.413 0.885 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC001275267787 952038869 /nfs/dbraw/zinc/03/88/69/952038869.db2.gz WVUGSCLTVPTNBO-WBVHZDCISA-N 2 1 305.422 0.839 20 10 DCCDMP Oc1ccc(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)cc1O ZINC001169992775 761358885 /nfs/dbraw/zinc/35/88/85/761358885.db2.gz FHPINBYXFLSCDQ-UHFFFAOYSA-N 2 1 301.350 0.910 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CO)[C@@H](O)C3)cc2)CC1 ZINC001139409253 768472367 /nfs/dbraw/zinc/47/23/67/768472367.db2.gz XYRHJRHWCPBBHX-AEFFLSMTSA-N 2 1 319.449 0.614 20 10 DCCDMP COC(=O)Cc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(O)c1 ZINC001234995588 769739322 /nfs/dbraw/zinc/73/93/22/769739322.db2.gz XERVVUFMLYNLON-KRWDZBQOSA-N 2 1 319.405 0.245 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235264664 769793366 /nfs/dbraw/zinc/79/33/66/769793366.db2.gz ADEVEWFKSLHKDT-WMLDXEAASA-N 3 1 316.449 0.986 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235264664 769793375 /nfs/dbraw/zinc/79/33/75/769793375.db2.gz ADEVEWFKSLHKDT-WMLDXEAASA-N 2 1 316.449 0.986 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1C[C@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935697 769963601 /nfs/dbraw/zinc/96/36/01/769963601.db2.gz DZAGFALLEFTYHD-DOMZBBRYSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1CN1C[C@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935697 769963606 /nfs/dbraw/zinc/96/36/06/769963606.db2.gz DZAGFALLEFTYHD-DOMZBBRYSA-N 2 1 303.406 0.916 20 10 DCCDMP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991391 769965068 /nfs/dbraw/zinc/96/50/68/769965068.db2.gz OEMRHYJZKYRBBH-PBHICJAKSA-N 3 1 302.422 0.725 20 10 DCCDMP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991391 769965072 /nfs/dbraw/zinc/96/50/72/769965072.db2.gz OEMRHYJZKYRBBH-PBHICJAKSA-N 3 1 302.422 0.725 20 10 DCCDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206263174 773059749 /nfs/dbraw/zinc/05/97/49/773059749.db2.gz PTJJVBAFYQHBEZ-AWEZNQCLSA-N 3 1 304.438 0.986 20 10 DCCDMP C[C@H]1C[NH2+]CCCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001206263174 773059752 /nfs/dbraw/zinc/05/97/52/773059752.db2.gz PTJJVBAFYQHBEZ-AWEZNQCLSA-N 2 1 304.438 0.986 20 10 DCCDMP C[NH+](C)CCN1C(=O)COCC12C[NH+](Cc1ccccc1O)C2 ZINC001272619248 942871668 /nfs/dbraw/zinc/87/16/68/942871668.db2.gz SSFNBVUDMGTZGI-UHFFFAOYSA-N 2 1 319.405 0.367 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCCN3)cc2F)CC1 ZINC001261835306 947455578 /nfs/dbraw/zinc/45/55/78/947455578.db2.gz QIZYRECCYPBQBT-HNNXBMFYSA-N 2 1 322.428 0.656 20 10 DCCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC001119316570 766632989 /nfs/dbraw/zinc/63/29/89/766632989.db2.gz OUNYBTRYXWBPHP-HNNXBMFYSA-N 2 1 320.462 0.717 20 10 DCCDMP COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254307 768463032 /nfs/dbraw/zinc/46/30/32/768463032.db2.gz GDQSTRZZTZPEGP-LSDHHAIUSA-N 2 1 324.421 0.638 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254307 768463036 /nfs/dbraw/zinc/46/30/36/768463036.db2.gz GDQSTRZZTZPEGP-LSDHHAIUSA-N 2 1 324.421 0.638 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC001140302434 768524604 /nfs/dbraw/zinc/52/46/04/768524604.db2.gz RFDWDRXIXALLPO-WMZOPIPTSA-N 2 1 319.449 0.614 20 10 DCCDMP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235730585 769938607 /nfs/dbraw/zinc/93/86/07/769938607.db2.gz ODEXXKPISGBRMR-HNNXBMFYSA-N 2 1 304.438 0.986 20 10 DCCDMP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235730585 769938610 /nfs/dbraw/zinc/93/86/10/769938610.db2.gz ODEXXKPISGBRMR-HNNXBMFYSA-N 2 1 304.438 0.986 20 10 DCCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]12 ZINC001236830717 770020292 /nfs/dbraw/zinc/02/02/92/770020292.db2.gz OAWURJFENDJKQN-RRQGHBQHSA-N 3 1 316.449 0.971 20 10 DCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205231149 772984467 /nfs/dbraw/zinc/98/44/67/772984467.db2.gz XABSQDDJIBFWJF-GOSISDBHSA-N 3 1 318.465 0.772 20 10 DCCDMP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347782850 954164267 /nfs/dbraw/zinc/16/42/67/954164267.db2.gz UBIJLYPKMAHWDA-LBPRGKRZSA-N 2 1 308.401 0.931 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCn3cncn3)cc2F)CC1 ZINC001461188046 1013011780 /nfs/dbraw/zinc/01/17/80/1013011780.db2.gz GZQCKTFEEFCRRC-UHFFFAOYSA-N 2 1 318.400 0.959 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[NH3+])CC2)cc1 ZINC000272505276 334035867 /nfs/dbraw/zinc/03/58/67/334035867.db2.gz WOEUNDJPUUPBDM-CYBMUJFWSA-N 2 1 306.410 0.281 20 10 DCCDMP CN(C)c1ccc([C@@H]([NH3+])CNC2CCN(CC[NH3+])CC2)cc1 ZINC000904354446 663509829 /nfs/dbraw/zinc/50/98/29/663509829.db2.gz YQDWCAYMOYJSGY-KRWDZBQOSA-N 3 1 305.470 0.765 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000775745552 668867330 /nfs/dbraw/zinc/86/73/30/668867330.db2.gz XPNKIAAYEMHFPQ-HNNXBMFYSA-N 2 1 317.437 0.681 20 10 DCCDMP CNC(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001657189600 1173909905 /nfs/dbraw/zinc/90/99/05/1173909905.db2.gz JETCLTFKORTRSG-UHFFFAOYSA-N 2 1 308.401 0.803 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262330 769794032 /nfs/dbraw/zinc/79/40/32/769794032.db2.gz QLCMRTYDBUPKIJ-ZBFHGGJFSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235262330 769794035 /nfs/dbraw/zinc/79/40/35/769794035.db2.gz QLCMRTYDBUPKIJ-ZBFHGGJFSA-N 3 1 302.422 0.596 20 10 DCCDMP [NH3+]CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756883 772960883 /nfs/dbraw/zinc/96/08/83/772960883.db2.gz SEYRQQUTIMVQMN-AWEZNQCLSA-N 3 1 307.394 0.424 20 10 DCCDMP [NH3+]CC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756883 772960887 /nfs/dbraw/zinc/96/08/87/772960887.db2.gz SEYRQQUTIMVQMN-AWEZNQCLSA-N 3 1 307.394 0.424 20 10 DCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205248382 772984790 /nfs/dbraw/zinc/98/47/90/772984790.db2.gz OTXHPWDTRVPGDU-KRWDZBQOSA-N 3 1 321.421 0.550 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)c1 ZINC001205255863 772985560 /nfs/dbraw/zinc/98/55/60/772985560.db2.gz MGHTZUOPORXBOP-KRWDZBQOSA-N 2 1 322.405 0.783 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCNC3=O)cc2F)CC1 ZINC001343319363 953337556 /nfs/dbraw/zinc/33/75/56/953337556.db2.gz MZUBBVHSNYOVEH-KRWDZBQOSA-N 2 1 320.412 0.946 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC000839165404 667734248 /nfs/dbraw/zinc/73/42/48/667734248.db2.gz JGBZIEQYJBYOQV-DOTOQJQBSA-N 2 1 305.422 0.223 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](CO)[C@H](CO)C3)cc2)CC1 ZINC000877765080 668646874 /nfs/dbraw/zinc/64/68/74/668646874.db2.gz SXGDVQVQIYLZSE-CALCHBBNSA-N 2 1 319.449 0.471 20 10 DCCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817945124 670955616 /nfs/dbraw/zinc/95/56/16/670955616.db2.gz UQDWWQJAQACDPG-LBPRGKRZSA-N 2 1 307.394 0.735 20 10 DCCDMP CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(O)c1 ZINC000843047573 672056033 /nfs/dbraw/zinc/05/60/33/672056033.db2.gz XPGIFNDMUSYNDA-UHFFFAOYSA-N 2 1 307.394 0.655 20 10 DCCDMP CN(C)c1cc(F)c(C[NH2+]CC(=O)N2CC[NH2+]CC2)cc1F ZINC001578423202 1165010780 /nfs/dbraw/zinc/01/07/80/1165010780.db2.gz RPKHBPOBPMCLDJ-UHFFFAOYSA-N 2 1 312.364 0.552 20 10 DCCDMP COC(=O)Cc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062307 769755916 /nfs/dbraw/zinc/75/59/16/769755916.db2.gz MATSUKTUBLPSBV-QGZVFWFLSA-N 2 1 319.405 0.245 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235062307 769755923 /nfs/dbraw/zinc/75/59/23/769755923.db2.gz MATSUKTUBLPSBV-QGZVFWFLSA-N 2 1 319.405 0.245 20 10 DCCDMP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991393 769964554 /nfs/dbraw/zinc/96/45/54/769964554.db2.gz OEMRHYJZKYRBBH-RHSMWYFYSA-N 3 1 302.422 0.725 20 10 DCCDMP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991393 769964561 /nfs/dbraw/zinc/96/45/61/769964561.db2.gz OEMRHYJZKYRBBH-RHSMWYFYSA-N 3 1 302.422 0.725 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000872255101 667882886 /nfs/dbraw/zinc/88/28/86/667882886.db2.gz JPHXFWVUYPQOCT-YUTCNCBUSA-N 2 1 321.352 0.898 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000872255101 667882887 /nfs/dbraw/zinc/88/28/87/667882887.db2.gz JPHXFWVUYPQOCT-YUTCNCBUSA-N 2 1 321.352 0.898 20 10 DCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364329 668609608 /nfs/dbraw/zinc/60/96/08/668609608.db2.gz LTVFQYZBIZNBEF-SFHVURJKSA-N 2 1 319.449 0.804 20 10 DCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877364329 668609612 /nfs/dbraw/zinc/60/96/12/668609612.db2.gz LTVFQYZBIZNBEF-SFHVURJKSA-N 2 1 319.449 0.804 20 10 DCCDMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845247 672348273 /nfs/dbraw/zinc/34/82/73/672348273.db2.gz WFOIHCIEGZVHHV-QWHCGFSZSA-N 2 1 312.410 0.991 20 10 DCCDMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000846845247 672348276 /nfs/dbraw/zinc/34/82/76/672348276.db2.gz WFOIHCIEGZVHHV-QWHCGFSZSA-N 2 1 312.410 0.991 20 10 DCCDMP COc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256344 768464498 /nfs/dbraw/zinc/46/44/98/768464498.db2.gz ZHTQDESFIUSXHM-KBPBESRZSA-N 2 1 310.394 0.247 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034013 769747439 /nfs/dbraw/zinc/74/74/39/769747439.db2.gz RWJPPGCODRDUST-GOSISDBHSA-N 3 1 316.449 0.987 20 10 DCCDMP Cc1ccc(C)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1O ZINC001235872064 769957649 /nfs/dbraw/zinc/95/76/49/769957649.db2.gz ZDYSDEOKKKHMQZ-UHFFFAOYSA-N 2 1 306.454 0.593 20 10 DCCDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235959623 769963169 /nfs/dbraw/zinc/96/31/69/769963169.db2.gz LQJUBSXBAMCZBP-JLVBRIDZSA-N 3 1 316.449 0.971 20 10 DCCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1C[NH3+] ZINC001205145691 772980323 /nfs/dbraw/zinc/98/03/23/772980323.db2.gz ASGRWACERBFNFT-DZGCQCFKSA-N 3 1 304.438 0.828 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1CNCCO1 ZINC001205376809 772990089 /nfs/dbraw/zinc/99/00/89/772990089.db2.gz OPHIHUPZZILMCO-KRWDZBQOSA-N 2 1 304.438 0.516 20 10 DCCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C[C@@H]1C[NH2+]CCO1 ZINC001205376809 772990092 /nfs/dbraw/zinc/99/00/92/772990092.db2.gz OPHIHUPZZILMCO-KRWDZBQOSA-N 2 1 304.438 0.516 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001350086896 954988962 /nfs/dbraw/zinc/98/89/62/954988962.db2.gz WGLIWANQXNJOPN-AYGBPOKTSA-N 2 1 323.412 0.551 20 10 DCCDMP CN1CCN(c2ccc(C[NH+]3CCC(O)(C[NH3+])CC3)cc2)CC1 ZINC000841108143 661609967 /nfs/dbraw/zinc/60/99/67/661609967.db2.gz OPDPXYFGYQICSJ-UHFFFAOYSA-N 2 1 318.465 0.724 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000872255205 667882621 /nfs/dbraw/zinc/88/26/21/667882621.db2.gz RDBMCDGBLOJURQ-NFAWXSAZSA-N 2 1 303.362 0.759 20 10 DCCDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283724 671713098 /nfs/dbraw/zinc/71/30/98/671713098.db2.gz AONKZBPNIXEFQD-HOTGVXAUSA-N 2 1 320.437 0.589 20 10 DCCDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283724 671713100 /nfs/dbraw/zinc/71/31/00/671713100.db2.gz AONKZBPNIXEFQD-HOTGVXAUSA-N 2 1 320.437 0.589 20 10 DCCDMP CN(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046846 672055974 /nfs/dbraw/zinc/05/59/74/672055974.db2.gz FFUOMMOQVYTATF-UHFFFAOYSA-N 2 1 308.401 0.755 20 10 DCCDMP CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046846 672055976 /nfs/dbraw/zinc/05/59/76/672055976.db2.gz FFUOMMOQVYTATF-UHFFFAOYSA-N 2 1 308.401 0.755 20 10 DCCDMP COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254306 768463607 /nfs/dbraw/zinc/46/36/07/768463607.db2.gz GDQSTRZZTZPEGP-HUUCEWRRSA-N 2 1 324.421 0.638 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254306 768463612 /nfs/dbraw/zinc/46/36/12/768463612.db2.gz GDQSTRZZTZPEGP-HUUCEWRRSA-N 2 1 324.421 0.638 20 10 DCCDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236065937 769978548 /nfs/dbraw/zinc/97/85/48/769978548.db2.gz CVHSTHJAXNXGPU-CQSZACIVSA-N 3 1 304.438 0.843 20 10 DCCDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205231151 772984178 /nfs/dbraw/zinc/98/41/78/772984178.db2.gz XABSQDDJIBFWJF-SFHVURJKSA-N 3 1 318.465 0.772 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206525380 773084188 /nfs/dbraw/zinc/08/41/88/773084188.db2.gz OTPQKCCNGZJORU-WMZOPIPTSA-N 3 1 318.465 0.580 20 10 DCCDMP CC[NH+]1CCN(c2ccc(CN3C[C@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206525380 773084190 /nfs/dbraw/zinc/08/41/90/773084190.db2.gz OTPQKCCNGZJORU-WMZOPIPTSA-N 2 1 318.465 0.580 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001275952955 952557281 /nfs/dbraw/zinc/55/72/81/952557281.db2.gz QAKNJEHFGQJEHK-WBVHZDCISA-N 2 1 321.421 0.544 20 10 DCCDMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221571 670536117 /nfs/dbraw/zinc/53/61/17/670536117.db2.gz PKORXHMDNHLZLB-HOTGVXAUSA-N 2 1 323.462 0.891 20 10 DCCDMP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991397 769964391 /nfs/dbraw/zinc/96/43/91/769964391.db2.gz OEMRHYJZKYRBBH-YOEHRIQHSA-N 3 1 302.422 0.725 20 10 DCCDMP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235991397 769964399 /nfs/dbraw/zinc/96/43/99/769964399.db2.gz OEMRHYJZKYRBBH-YOEHRIQHSA-N 3 1 302.422 0.725 20 10 DCCDMP COc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c(OC)c1 ZINC001222511143 775373195 /nfs/dbraw/zinc/37/31/95/775373195.db2.gz QABRZUHALBVYBH-GJZGRUSLSA-N 2 1 321.421 0.935 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)C[NH3+])CC2)cc1 ZINC000285984670 536698044 /nfs/dbraw/zinc/69/80/44/536698044.db2.gz HXWVPULXRGBQAH-CQSZACIVSA-N 2 1 320.437 0.528 20 10 DCCDMP CO[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1O ZINC000825016758 671446998 /nfs/dbraw/zinc/44/69/98/671446998.db2.gz HQMDUVTVIAELKM-IAGOWNOFSA-N 2 1 305.422 0.630 20 10 DCCDMP COc1ccc(N2CCC[N@@H+](C[C@@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001579226027 1165244116 /nfs/dbraw/zinc/24/41/16/1165244116.db2.gz YTDVEWRBLPBNDK-QGZVFWFLSA-N 2 1 305.422 0.932 20 10 DCCDMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757181 748927040 /nfs/dbraw/zinc/92/70/40/748927040.db2.gz WAYJZZCCKRBUAW-INIZCTEOSA-N 3 1 320.437 0.351 20 10 DCCDMP [NH3+]CC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757181 748927043 /nfs/dbraw/zinc/92/70/43/748927043.db2.gz WAYJZZCCKRBUAW-INIZCTEOSA-N 2 1 320.437 0.351 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255737 768464596 /nfs/dbraw/zinc/46/45/96/768464596.db2.gz RSRIMCAUVXVYTC-ZFWWWQNUSA-N 2 1 324.421 0.638 20 10 DCCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235185455 769775659 /nfs/dbraw/zinc/77/56/59/769775659.db2.gz VHIDCRDBILNHQD-DOMZBBRYSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235185455 769775664 /nfs/dbraw/zinc/77/56/64/769775664.db2.gz VHIDCRDBILNHQD-DOMZBBRYSA-N 3 1 303.406 0.916 20 10 DCCDMP CN(C)c1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235871464 769956221 /nfs/dbraw/zinc/95/62/21/769956221.db2.gz UPCOPDSUWJPHMO-UHFFFAOYSA-N 2 1 321.469 0.043 20 10 DCCDMP [NH3+]CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756884 772960598 /nfs/dbraw/zinc/96/05/98/772960598.db2.gz SEYRQQUTIMVQMN-CQSZACIVSA-N 3 1 307.394 0.424 20 10 DCCDMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCO1 ZINC001204756884 772960602 /nfs/dbraw/zinc/96/06/02/772960602.db2.gz SEYRQQUTIMVQMN-CQSZACIVSA-N 3 1 307.394 0.424 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)c1 ZINC001205736025 773015227 /nfs/dbraw/zinc/01/52/27/773015227.db2.gz TXTDOOIGIMJZIH-QGZVFWFLSA-N 2 1 322.405 0.783 20 10 DCCDMP C[NH+](C)CCN1CCC2(C[NH+](Cc3cc(O)c(O)cc3O)C2)C1 ZINC001276517002 944196644 /nfs/dbraw/zinc/19/66/44/944196644.db2.gz YVYNOGAGLGTRHN-UHFFFAOYSA-N 2 1 321.421 0.873 20 10 DCCDMP COC(=O)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252444096 945932880 /nfs/dbraw/zinc/93/28/80/945932880.db2.gz JNXSXKVJGWAPAT-OAHLLOKOSA-N 2 1 308.378 0.480 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001275419350 952133233 /nfs/dbraw/zinc/13/32/33/952133233.db2.gz WAFOITVSWCDTSQ-RDJZCZTQSA-N 2 1 321.421 0.544 20 10 DCCDMP Nc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC001336285087 952671838 /nfs/dbraw/zinc/67/18/38/952671838.db2.gz HVFBLLXMMYKNAX-OAHLLOKOSA-N 2 1 302.422 0.913 20 10 DCCDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000863652608 667166791 /nfs/dbraw/zinc/16/67/91/667166791.db2.gz SOWIJSDZDNWAME-UHFFFAOYSA-N 3 1 306.454 0.846 20 10 DCCDMP CN1CCN(c2ccc(C[N@H+](C)CCOCC[NH3+])cc2)CC1 ZINC000863652608 667166797 /nfs/dbraw/zinc/16/67/97/667166797.db2.gz SOWIJSDZDNWAME-UHFFFAOYSA-N 2 1 306.454 0.846 20 10 DCCDMP CN1CCN(c2ccc(C[N@@H+](C)CCOCC[NH3+])cc2)CC1 ZINC000863652608 667166801 /nfs/dbraw/zinc/16/68/01/667166801.db2.gz SOWIJSDZDNWAME-UHFFFAOYSA-N 2 1 306.454 0.846 20 10 DCCDMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757185 748927234 /nfs/dbraw/zinc/92/72/34/748927234.db2.gz WAYJZZCCKRBUAW-MRXNPFEDSA-N 3 1 320.437 0.351 20 10 DCCDMP [NH3+]CC[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CCO1 ZINC001204757185 748927239 /nfs/dbraw/zinc/92/72/39/748927239.db2.gz WAYJZZCCKRBUAW-MRXNPFEDSA-N 2 1 320.437 0.351 20 10 DCCDMP c1cc(N2CCOCC2)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234978793 769731165 /nfs/dbraw/zinc/73/11/65/769731165.db2.gz BLUXJNHAKXAMCJ-GOSISDBHSA-N 2 1 316.449 0.661 20 10 DCCDMP C[C@@H]1CNC[C@@H](C)[NH+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236102094 769979746 /nfs/dbraw/zinc/97/97/46/769979746.db2.gz HEIPOALZPKGOIS-ZIAGYGMSSA-N 2 1 304.438 0.984 20 10 DCCDMP COC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321530487 946368072 /nfs/dbraw/zinc/36/80/72/946368072.db2.gz STLIQMBKONHZTK-CQSZACIVSA-N 2 1 311.401 0.674 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3O)cc2F)CC1 ZINC001325197180 947703332 /nfs/dbraw/zinc/70/33/32/947703332.db2.gz LKTVWDUIPWVZMY-GDBMZVCRSA-N 2 1 309.385 0.427 20 10 DCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569328 668367289 /nfs/dbraw/zinc/36/72/89/668367289.db2.gz RXYZPBHKGDAOPR-KRWDZBQOSA-N 2 1 323.412 0.819 20 10 DCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000762569328 668367292 /nfs/dbraw/zinc/36/72/92/668367292.db2.gz RXYZPBHKGDAOPR-KRWDZBQOSA-N 2 1 323.412 0.819 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235264662 769793888 /nfs/dbraw/zinc/79/38/88/769793888.db2.gz ADEVEWFKSLHKDT-PBHICJAKSA-N 3 1 316.449 0.986 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235264662 769793894 /nfs/dbraw/zinc/79/38/94/769793894.db2.gz ADEVEWFKSLHKDT-PBHICJAKSA-N 2 1 316.449 0.986 20 10 DCCDMP COC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001344689764 953513803 /nfs/dbraw/zinc/51/38/03/953513803.db2.gz ZCRJBFUPIRTLPS-CQSZACIVSA-N 2 1 311.401 0.674 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC[NH3+])CC2)cc1 ZINC000841749927 671952554 /nfs/dbraw/zinc/95/25/54/671952554.db2.gz JZXUCGCWJUKJFP-UHFFFAOYSA-N 2 1 321.425 0.075 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985913 769733645 /nfs/dbraw/zinc/73/36/45/769733645.db2.gz HFYQLEJRMHPLKZ-SFHVURJKSA-N 3 1 315.465 0.234 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC001276537121 944200921 /nfs/dbraw/zinc/20/09/21/944200921.db2.gz CLVMGAOJDOGMMI-CVEARBPZSA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]21 ZINC001276537121 944200925 /nfs/dbraw/zinc/20/09/25/944200925.db2.gz CLVMGAOJDOGMMI-CVEARBPZSA-N 2 1 323.412 0.978 20 10 DCCDMP CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000829504205 671578323 /nfs/dbraw/zinc/57/83/23/671578323.db2.gz BOJSSVPOLRDCLT-MRXNPFEDSA-N 2 1 320.437 0.671 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)OCO2 ZINC000843123353 672064637 /nfs/dbraw/zinc/06/46/37/672064637.db2.gz QINQHBUDKJHNRZ-CYBMUJFWSA-N 2 1 305.378 0.600 20 10 DCCDMP O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1C[NH2+]C1 ZINC001580838233 1165732212 /nfs/dbraw/zinc/73/22/12/1165732212.db2.gz OUNOHZVMXRVZGJ-SECBINFHSA-N 2 1 313.760 0.847 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)COC3)cc2F)CC1 ZINC001655959376 1173831407 /nfs/dbraw/zinc/83/14/07/1173831407.db2.gz OGMGJTINKWRDQO-UHFFFAOYSA-N 2 1 323.412 0.676 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970598 769728951 /nfs/dbraw/zinc/72/89/51/769728951.db2.gz JRMPRHNDWDPUEU-SJLPKXTDSA-N 3 1 316.449 0.516 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234970598 769728961 /nfs/dbraw/zinc/72/89/61/769728961.db2.gz JRMPRHNDWDPUEU-SJLPKXTDSA-N 3 1 316.449 0.516 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235299050 769798668 /nfs/dbraw/zinc/79/86/68/769798668.db2.gz NOIULENOXQNUTP-IYBDPMFKSA-N 2 1 302.422 0.269 20 10 DCCDMP N[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235911270 769959985 /nfs/dbraw/zinc/95/99/85/769959985.db2.gz QYJQOHPLBGNUFU-HUUCEWRRSA-N 2 1 308.401 0.673 20 10 DCCDMP N[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235911270 769959992 /nfs/dbraw/zinc/95/99/92/769959992.db2.gz QYJQOHPLBGNUFU-HUUCEWRRSA-N 2 1 308.401 0.673 20 10 DCCDMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCO1 ZINC001204756904 772960672 /nfs/dbraw/zinc/96/06/72/772960672.db2.gz SSHVMPHJZHOKMY-KRWDZBQOSA-N 3 1 304.438 0.646 20 10 DCCDMP [NH3+]CC[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CCO1 ZINC001204756904 772960676 /nfs/dbraw/zinc/96/06/76/772960676.db2.gz SSHVMPHJZHOKMY-KRWDZBQOSA-N 2 1 304.438 0.646 20 10 DCCDMP [NH3+]C[C@@H]1[C@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]21 ZINC001204918588 772969077 /nfs/dbraw/zinc/96/90/77/772969077.db2.gz IJCCKHQLEZBSAX-PHZGNYQRSA-N 3 1 302.422 0.438 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469105 773079467 /nfs/dbraw/zinc/07/94/67/773079467.db2.gz OTPQKCCNGZJORU-FUHWJXTLSA-N 3 1 318.465 0.580 20 10 DCCDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206469105 773079473 /nfs/dbraw/zinc/07/94/73/773079473.db2.gz OTPQKCCNGZJORU-FUHWJXTLSA-N 2 1 318.465 0.580 20 10 DCCDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499707 773714850 /nfs/dbraw/zinc/71/48/50/773714850.db2.gz WBRZAIMSVSKCKH-AWEZNQCLSA-N 3 1 304.438 0.986 20 10 DCCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499707 773714854 /nfs/dbraw/zinc/71/48/54/773714854.db2.gz WBRZAIMSVSKCKH-AWEZNQCLSA-N 3 1 304.438 0.986 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775668666 668866346 /nfs/dbraw/zinc/86/63/46/668866346.db2.gz GDYGHONFORCSEK-MRXNPFEDSA-N 2 1 318.421 0.125 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775668666 668866348 /nfs/dbraw/zinc/86/63/48/668866348.db2.gz GDYGHONFORCSEK-MRXNPFEDSA-N 2 1 318.421 0.125 20 10 DCCDMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221573 670536373 /nfs/dbraw/zinc/53/63/73/670536373.db2.gz PKORXHMDNHLZLB-JKSUJKDBSA-N 2 1 323.462 0.891 20 10 DCCDMP N[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235906536 769960217 /nfs/dbraw/zinc/96/02/17/769960217.db2.gz QYJQOHPLBGNUFU-CABCVRRESA-N 2 1 308.401 0.673 20 10 DCCDMP N[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[C@H]1F ZINC001235906536 769960219 /nfs/dbraw/zinc/96/02/19/769960219.db2.gz QYJQOHPLBGNUFU-CABCVRRESA-N 2 1 308.401 0.673 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C[C@H](O)CO ZINC001236934100 770023498 /nfs/dbraw/zinc/02/34/98/770023498.db2.gz CMJNJDXNKSKEGT-HNNXBMFYSA-N 2 1 311.401 0.363 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)c(F)c2)CC1 ZINC001236935981 770024205 /nfs/dbraw/zinc/02/42/05/770024205.db2.gz MZHFXRPBJJJHQL-WMLDXEAASA-N 2 1 323.412 0.363 20 10 DCCDMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000863648664 667166745 /nfs/dbraw/zinc/16/67/45/667166745.db2.gz CWQKNZPAJHPYAR-UHFFFAOYSA-N 2 1 304.306 0.365 20 10 DCCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)CCO2)cc1C ZINC001125219812 751842721 /nfs/dbraw/zinc/84/27/21/751842721.db2.gz CEPDMANDNGEQRM-MRXNPFEDSA-N 2 1 321.421 0.540 20 10 DCCDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)CCO2)cc1C ZINC001125219812 751842731 /nfs/dbraw/zinc/84/27/31/751842731.db2.gz CEPDMANDNGEQRM-MRXNPFEDSA-N 2 1 321.421 0.540 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C3C[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235340425 769820793 /nfs/dbraw/zinc/82/07/93/769820793.db2.gz IVXUNNRQSWBFME-GFCCVEGCSA-N 3 1 303.406 0.916 20 10 DCCDMP CC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774576 769946814 /nfs/dbraw/zinc/94/68/14/769946814.db2.gz RVIOWFNUSHWENP-OAHLLOKOSA-N 2 1 304.438 0.986 20 10 DCCDMP CC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235774576 769946819 /nfs/dbraw/zinc/94/68/19/769946819.db2.gz RVIOWFNUSHWENP-OAHLLOKOSA-N 2 1 304.438 0.986 20 10 DCCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CNCCO1 ZINC001205377395 772990004 /nfs/dbraw/zinc/99/00/04/772990004.db2.gz WQQTUCSTWQVBAQ-INIZCTEOSA-N 2 1 320.437 0.222 20 10 DCCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205377395 772990009 /nfs/dbraw/zinc/99/00/09/772990009.db2.gz WQQTUCSTWQVBAQ-INIZCTEOSA-N 2 1 320.437 0.222 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCNC(=O)C3)cc2)CC1 ZINC000775664283 668866437 /nfs/dbraw/zinc/86/64/37/668866437.db2.gz SEZUJGZDKNAMRU-UHFFFAOYSA-N 2 1 302.422 0.760 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCNC(=O)C3)cc2)CC1 ZINC000775664283 668866438 /nfs/dbraw/zinc/86/64/38/668866438.db2.gz SEZUJGZDKNAMRU-UHFFFAOYSA-N 2 1 302.422 0.760 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841087673 671912249 /nfs/dbraw/zinc/91/22/49/671912249.db2.gz UZSQSUMRVFFPFL-QGZVFWFLSA-N 2 1 305.422 0.991 20 10 DCCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048176 672056103 /nfs/dbraw/zinc/05/61/03/672056103.db2.gz RVTBMYVEMQKLLU-NSHDSACASA-N 2 1 321.377 0.408 20 10 DCCDMP COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254128 768463534 /nfs/dbraw/zinc/46/35/34/768463534.db2.gz FBMLXUATZSJFTO-AWEZNQCLSA-N 2 1 310.394 0.656 20 10 DCCDMP COc1cc(C[N@H+]2CCOC[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139254128 768463540 /nfs/dbraw/zinc/46/35/40/768463540.db2.gz FBMLXUATZSJFTO-AWEZNQCLSA-N 2 1 310.394 0.656 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162506 768570197 /nfs/dbraw/zinc/57/01/97/768570197.db2.gz VGHUFNMWTJCSGV-CYBMUJFWSA-N 2 1 307.394 0.740 20 10 DCCDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141162506 768570198 /nfs/dbraw/zinc/57/01/98/768570198.db2.gz VGHUFNMWTJCSGV-CYBMUJFWSA-N 2 1 307.394 0.740 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001276360192 942101161 /nfs/dbraw/zinc/10/11/61/942101161.db2.gz PZWGJOYSZNBYOI-WBVHZDCISA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H]21 ZINC001276360192 942101166 /nfs/dbraw/zinc/10/11/66/942101166.db2.gz PZWGJOYSZNBYOI-WBVHZDCISA-N 2 1 323.412 0.978 20 10 DCCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000843052112 672056527 /nfs/dbraw/zinc/05/65/27/672056527.db2.gz GIUMJLBWELSODF-UHFFFAOYSA-N 2 1 318.465 0.860 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC001235206972 769779595 /nfs/dbraw/zinc/77/95/95/769779595.db2.gz RYWVTDQCBCBWHB-ROUUACIJSA-N 2 1 316.449 0.659 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC001235206972 769779599 /nfs/dbraw/zinc/77/95/99/769779599.db2.gz RYWVTDQCBCBWHB-ROUUACIJSA-N 2 1 316.449 0.659 20 10 DCCDMP CCOc1cccc(C[NH+]2CCNCC[NH2+]CCNCC2)c1O ZINC001235870842 769954873 /nfs/dbraw/zinc/95/48/73/769954873.db2.gz PRYWGNQYVNPLGM-UHFFFAOYSA-N 2 1 322.453 0.375 20 10 DCCDMP Nc1ccc(CC(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161380096 772214255 /nfs/dbraw/zinc/21/42/55/772214255.db2.gz JIDBKOMJJWGZNA-INIZCTEOSA-N 2 1 302.422 0.835 20 10 DCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205725242 773014543 /nfs/dbraw/zinc/01/45/43/773014543.db2.gz FJRJRXGLKBJHGY-QGZVFWFLSA-N 3 1 321.421 0.550 20 10 DCCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1[NH3+] ZINC001205880537 773029653 /nfs/dbraw/zinc/02/96/53/773029653.db2.gz LWQOCXGPWPWRFC-CJNGLKHVSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1[NH3+] ZINC001205880537 773029655 /nfs/dbraw/zinc/02/96/55/773029655.db2.gz LWQOCXGPWPWRFC-CJNGLKHVSA-N 3 1 304.438 0.971 20 10 DCCDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001205958955 773036573 /nfs/dbraw/zinc/03/65/73/773036573.db2.gz HZGVCAJMIAWTIF-IAGOWNOFSA-N 2 1 305.422 0.542 20 10 DCCDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1O ZINC001205958955 773036577 /nfs/dbraw/zinc/03/65/77/773036577.db2.gz HZGVCAJMIAWTIF-IAGOWNOFSA-N 2 1 305.422 0.542 20 10 DCCDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516615 944196154 /nfs/dbraw/zinc/19/61/54/944196154.db2.gz KFANGCKWSSWLMU-UHFFFAOYSA-N 2 1 307.394 0.483 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)cc2)CC1 ZINC000775735797 668867111 /nfs/dbraw/zinc/86/71/11/668867111.db2.gz XCOYXKRSFWZCJR-CALCHBBNSA-N 2 1 305.422 0.366 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc(C[NH+](C)C)c1O ZINC001139257304 768464426 /nfs/dbraw/zinc/46/44/26/768464426.db2.gz XJUKWDZNPRXQLA-GFCCVEGCSA-N 2 1 307.394 0.770 20 10 DCCDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)[C@@H](C)CN1 ZINC001236079133 769977995 /nfs/dbraw/zinc/97/79/95/769977995.db2.gz MDPJNQQMUCRCOA-KBPBESRZSA-N 2 1 304.438 0.984 20 10 DCCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)[C@@H](C)CN1 ZINC001236079133 769978000 /nfs/dbraw/zinc/97/80/00/769978000.db2.gz MDPJNQQMUCRCOA-KBPBESRZSA-N 2 1 304.438 0.984 20 10 DCCDMP COc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c(OC)c1 ZINC001222104371 775272107 /nfs/dbraw/zinc/27/21/07/775272107.db2.gz FQHPGBIZQBXRAE-UHFFFAOYSA-N 2 1 321.421 0.937 20 10 DCCDMP CN1CCN(c2ccc(C[NH2+]CCOCCC[NH3+])cc2)CC1 ZINC000863483514 667148572 /nfs/dbraw/zinc/14/85/72/667148572.db2.gz BYFPZXQUJCJUQG-UHFFFAOYSA-N 2 1 306.454 0.893 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(CO)CO ZINC000775708750 668866918 /nfs/dbraw/zinc/86/69/18/668866918.db2.gz OFKJMSSPLPLVDH-UHFFFAOYSA-N 2 1 321.465 0.861 20 10 DCCDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283723 671713250 /nfs/dbraw/zinc/71/32/50/671713250.db2.gz AONKZBPNIXEFQD-CVEARBPZSA-N 2 1 320.437 0.589 20 10 DCCDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283723 671713251 /nfs/dbraw/zinc/71/32/51/671713251.db2.gz AONKZBPNIXEFQD-CVEARBPZSA-N 2 1 320.437 0.589 20 10 DCCDMP COc1c(O)c(C[NH2+]CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000841044760 671910179 /nfs/dbraw/zinc/91/01/79/671910179.db2.gz HHPLIGPKFRDMEA-UHFFFAOYSA-N 2 1 310.354 0.304 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000844220609 672165003 /nfs/dbraw/zinc/16/50/03/672165003.db2.gz ZAMTWRNIGSCWQL-HNNXBMFYSA-N 2 1 304.438 0.992 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000844220609 672165004 /nfs/dbraw/zinc/16/50/04/672165004.db2.gz ZAMTWRNIGSCWQL-HNNXBMFYSA-N 2 1 304.438 0.992 20 10 DCCDMP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331491 772987638 /nfs/dbraw/zinc/98/76/38/772987638.db2.gz GRFXKOASYFORRF-CQSZACIVSA-N 2 1 304.438 0.986 20 10 DCCDMP C[C@@H]1CC[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331491 772987640 /nfs/dbraw/zinc/98/76/40/772987640.db2.gz GRFXKOASYFORRF-CQSZACIVSA-N 2 1 304.438 0.986 20 10 DCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)C[C@H]1O ZINC001206468833 773079618 /nfs/dbraw/zinc/07/96/18/773079618.db2.gz KZECWDIWNWPNAO-GOEBONIOSA-N 2 1 317.433 0.842 20 10 DCCDMP [NH3+]CC[C@H]([NH3+])C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212692 774735641 /nfs/dbraw/zinc/73/56/41/774735641.db2.gz SIEZICDWXRWTPE-NSHDSACASA-N 2 1 308.769 0.886 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001337586810 952882503 /nfs/dbraw/zinc/88/25/03/952882503.db2.gz WGLIWANQXNJOPN-FFGGFLGDSA-N 2 1 323.412 0.551 20 10 DCCDMP COc1ccc(N2CCC[N@@H+](C[C@]3(O)CC[NH2+]C3)CC2)cc1 ZINC001579226026 1165245049 /nfs/dbraw/zinc/24/50/49/1165245049.db2.gz YTDVEWRBLPBNDK-KRWDZBQOSA-N 2 1 305.422 0.932 20 10 DCCDMP COc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139256347 768464143 /nfs/dbraw/zinc/46/41/43/768464143.db2.gz ZHTQDESFIUSXHM-UONOGXRCSA-N 2 1 310.394 0.247 20 10 DCCDMP [NH3+][C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235253080 769791571 /nfs/dbraw/zinc/79/15/71/769791571.db2.gz BUAIVNBCXZPEIC-BPUTZDHNSA-N 3 1 302.422 0.723 20 10 DCCDMP Oc1cc2c(cc1C[N@@H+]1C[C@H]3C[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235935698 769962987 /nfs/dbraw/zinc/96/29/87/769962987.db2.gz DZAGFALLEFTYHD-IUODEOHRSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1CN1C[C@H]3C[NH2+]CC[C@@H]3C1)C[NH2+]CCO2 ZINC001235935698 769962994 /nfs/dbraw/zinc/96/29/94/769962994.db2.gz DZAGFALLEFTYHD-IUODEOHRSA-N 2 1 303.406 0.916 20 10 DCCDMP [NH3+]CCN1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001209976651 773663068 /nfs/dbraw/zinc/66/30/68/773663068.db2.gz WBHWSWYSUYYINZ-UHFFFAOYSA-N 2 1 303.454 0.173 20 10 DCCDMP CN1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1=O ZINC001327212653 948422490 /nfs/dbraw/zinc/42/24/90/948422490.db2.gz HURSQZYDTYZNFX-AWEZNQCLSA-N 2 1 320.412 0.898 20 10 DCCDMP COc1cc(C)cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000894238506 661702532 /nfs/dbraw/zinc/70/25/32/661702532.db2.gz SKIGAVYXTJHHAB-UHFFFAOYSA-N 2 1 321.421 0.963 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)cc2)CC1 ZINC001140302432 768524236 /nfs/dbraw/zinc/52/42/36/768524236.db2.gz RFDWDRXIXALLPO-SJLPKXTDSA-N 2 1 319.449 0.614 20 10 DCCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235199224 769779174 /nfs/dbraw/zinc/77/91/74/769779174.db2.gz VHIDCRDBILNHQD-IUODEOHRSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235199224 769779183 /nfs/dbraw/zinc/77/91/83/769779183.db2.gz VHIDCRDBILNHQD-IUODEOHRSA-N 3 1 303.406 0.916 20 10 DCCDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@@H]12 ZINC001236830589 770019560 /nfs/dbraw/zinc/01/95/60/770019560.db2.gz OAWURJFENDJKQN-IAOVAPTHSA-N 3 1 316.449 0.971 20 10 DCCDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3O)C[C@H]12 ZINC001236830720 770019616 /nfs/dbraw/zinc/01/96/16/770019616.db2.gz OAWURJFENDJKQN-XOKHGSTOSA-N 3 1 316.449 0.971 20 10 DCCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1O ZINC001206524974 773083959 /nfs/dbraw/zinc/08/39/59/773083959.db2.gz DROMPFNRAPHMLG-YOEHRIQHSA-N 2 1 305.422 0.399 20 10 DCCDMP COC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCN1 ZINC001210049665 773670915 /nfs/dbraw/zinc/67/09/15/773670915.db2.gz CUEAZCFEBKMSLU-CQSZACIVSA-N 2 1 307.394 0.294 20 10 DCCDMP COC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CCN1 ZINC001210049665 773670922 /nfs/dbraw/zinc/67/09/22/773670922.db2.gz CUEAZCFEBKMSLU-CQSZACIVSA-N 2 1 307.394 0.294 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001276832809 944321225 /nfs/dbraw/zinc/32/12/25/944321225.db2.gz DFVQHTHCFSYTOM-UONOGXRCSA-N 2 1 321.421 0.871 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(O)c(O)c(O)c3)[C@@H]2C1 ZINC001276832809 944321229 /nfs/dbraw/zinc/32/12/29/944321229.db2.gz DFVQHTHCFSYTOM-UONOGXRCSA-N 2 1 321.421 0.871 20 10 DCCDMP COC(=O)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252444094 945931698 /nfs/dbraw/zinc/93/16/98/945931698.db2.gz JNXSXKVJGWAPAT-HNNXBMFYSA-N 2 1 308.378 0.480 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)cc2F)CC1 ZINC001331296320 951063164 /nfs/dbraw/zinc/06/31/64/951063164.db2.gz IHXFZFKFKDBZII-HDJSIYSDSA-N 2 1 320.412 0.931 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)cc2)CC1 ZINC000839165406 667734474 /nfs/dbraw/zinc/73/44/74/667734474.db2.gz JGBZIEQYJBYOQV-RDJZCZTQSA-N 2 1 305.422 0.223 20 10 DCCDMP COc1cc(O)c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000843053282 672056591 /nfs/dbraw/zinc/05/65/91/672056591.db2.gz SUGAWLLVYWHEEA-UHFFFAOYSA-N 2 1 309.410 0.746 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034017 769747522 /nfs/dbraw/zinc/74/75/22/769747522.db2.gz RWJPPGCODRDUST-SFHVURJKSA-N 3 1 316.449 0.987 20 10 DCCDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236605836 770013064 /nfs/dbraw/zinc/01/30/64/770013064.db2.gz VNRVDKJHWJXNFS-KRWDZBQOSA-N 3 1 304.438 0.973 20 10 DCCDMP COc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc(O)c1O ZINC001222492490 775367049 /nfs/dbraw/zinc/36/70/49/775367049.db2.gz YNOANHDNAGREHS-STQMWFEESA-N 2 1 307.394 0.632 20 10 DCCDMP COc1cc(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841094638 671912030 /nfs/dbraw/zinc/91/20/30/671912030.db2.gz ZRWDANAQNIZQOZ-JTQLQIEISA-N 2 1 319.199 0.915 20 10 DCCDMP COc1cc(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1O ZINC000841094638 671912034 /nfs/dbraw/zinc/91/20/34/671912034.db2.gz ZRWDANAQNIZQOZ-JTQLQIEISA-N 2 1 319.199 0.915 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H](O)C3)cc2)CC1 ZINC001139409056 756426644 /nfs/dbraw/zinc/42/66/44/756426644.db2.gz TZCLPWFCOKWNRL-KRWDZBQOSA-N 2 1 305.422 0.632 20 10 DCCDMP C[NH+](C)CCN1CC[N@@H+](Cc2c(O)cc(O)cc2O)CCC1=O ZINC001144514774 766964596 /nfs/dbraw/zinc/96/45/96/766964596.db2.gz RNNOBIKNQZMZNQ-UHFFFAOYSA-N 2 1 323.393 0.399 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025934 769745451 /nfs/dbraw/zinc/74/54/51/769745451.db2.gz GTSKEZUMICLCBB-UHFFFAOYSA-N 3 1 302.422 0.597 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC2(C[NH2+]C2)C1 ZINC001235025934 769745460 /nfs/dbraw/zinc/74/54/60/769745460.db2.gz GTSKEZUMICLCBB-UHFFFAOYSA-N 2 1 302.422 0.597 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410791 770009483 /nfs/dbraw/zinc/00/94/83/770009483.db2.gz DMFGOXYQGXWHFA-QLPKVWCKSA-N 3 1 302.422 0.451 20 10 DCCDMP CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410791 770009494 /nfs/dbraw/zinc/00/94/94/770009494.db2.gz DMFGOXYQGXWHFA-QLPKVWCKSA-N 2 1 302.422 0.451 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)c1 ZINC001205736023 773015202 /nfs/dbraw/zinc/01/52/02/773015202.db2.gz TXTDOOIGIMJZIH-KRWDZBQOSA-N 2 1 322.405 0.783 20 10 DCCDMP COc1cc(O)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC001329147057 949388906 /nfs/dbraw/zinc/38/89/06/949388906.db2.gz FELAWQKPDWBBAF-UHFFFAOYSA-N 2 1 320.349 0.654 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc(O)cc3O)C[C@H](C1)O2 ZINC001275952722 952556330 /nfs/dbraw/zinc/55/63/30/952556330.db2.gz LEEYIUQKSOPLCR-IYBDPMFKSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H](C1)O2 ZINC001275952722 952556336 /nfs/dbraw/zinc/55/63/36/952556336.db2.gz LEEYIUQKSOPLCR-IYBDPMFKSA-N 2 1 321.421 0.544 20 10 DCCDMP COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001336768719 952763434 /nfs/dbraw/zinc/76/34/34/952763434.db2.gz ZCRJBFUPIRTLPS-AWEZNQCLSA-N 2 1 311.401 0.674 20 10 DCCDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283725 671713043 /nfs/dbraw/zinc/71/30/43/671713043.db2.gz AONKZBPNIXEFQD-HZPDHXFCSA-N 2 1 320.437 0.589 20 10 DCCDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283725 671713046 /nfs/dbraw/zinc/71/30/46/671713046.db2.gz AONKZBPNIXEFQD-HZPDHXFCSA-N 2 1 320.437 0.589 20 10 DCCDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283726 671713150 /nfs/dbraw/zinc/71/31/50/671713150.db2.gz AONKZBPNIXEFQD-JKSUJKDBSA-N 2 1 320.437 0.589 20 10 DCCDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000832283726 671713151 /nfs/dbraw/zinc/71/31/51/671713151.db2.gz AONKZBPNIXEFQD-JKSUJKDBSA-N 2 1 320.437 0.589 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COCC[C@H]3O)cc2F)CC1 ZINC001118926331 766472811 /nfs/dbraw/zinc/47/28/11/766472811.db2.gz JAONRAKVESHYHT-NVXWUHKLSA-N 2 1 323.412 0.817 20 10 DCCDMP C[NH+](C)CCN1CC[N@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233486505 769371712 /nfs/dbraw/zinc/37/17/12/769371712.db2.gz OWZAKOVSQLPGQR-UHFFFAOYSA-N 2 1 323.393 0.399 20 10 DCCDMP C[NH+](C)CCN1CC[N@@H+](Cc2cc(O)c(O)cc2O)CCC1=O ZINC001233486505 769371721 /nfs/dbraw/zinc/37/17/21/769371721.db2.gz OWZAKOVSQLPGQR-UHFFFAOYSA-N 2 1 323.393 0.399 20 10 DCCDMP C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CNCCO1 ZINC001205539366 772999254 /nfs/dbraw/zinc/99/92/54/772999254.db2.gz XOBDZRGMWUIFPD-AWEZNQCLSA-N 2 1 307.394 0.294 20 10 DCCDMP C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)C[C@@H]1CNCCO1 ZINC001205539366 772999256 /nfs/dbraw/zinc/99/92/56/772999256.db2.gz XOBDZRGMWUIFPD-AWEZNQCLSA-N 2 1 307.394 0.294 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3O)C[C@H](C1)O2 ZINC001275418990 952134983 /nfs/dbraw/zinc/13/49/83/952134983.db2.gz OMYVETBXMPIODJ-IYBDPMFKSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H](C1)O2 ZINC001275418990 952134986 /nfs/dbraw/zinc/13/49/86/952134986.db2.gz OMYVETBXMPIODJ-IYBDPMFKSA-N 2 1 321.421 0.544 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000829505045 671578204 /nfs/dbraw/zinc/57/82/04/671578204.db2.gz JTQCJUCMHOGGEV-CQSZACIVSA-N 2 1 320.437 0.671 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000829505043 671578266 /nfs/dbraw/zinc/57/82/66/671578266.db2.gz JTQCJUCMHOGGEV-AWEZNQCLSA-N 2 1 320.437 0.671 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCNC3=O)cc2F)CC1 ZINC001118629680 766380460 /nfs/dbraw/zinc/38/04/60/766380460.db2.gz HVZLQJHVCKDPSQ-AWEZNQCLSA-N 2 1 306.385 0.556 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139255721 768464409 /nfs/dbraw/zinc/46/44/09/768464409.db2.gz RSRIMCAUVXVYTC-HIFRSBDPSA-N 2 1 324.421 0.638 20 10 DCCDMP N[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC12CC2 ZINC001204912322 772968486 /nfs/dbraw/zinc/96/84/86/772968486.db2.gz UESVEUWQHZARIG-MRXNPFEDSA-N 2 1 302.422 0.725 20 10 DCCDMP N[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC12CC2 ZINC001204912322 772968489 /nfs/dbraw/zinc/96/84/89/772968489.db2.gz UESVEUWQHZARIG-MRXNPFEDSA-N 2 1 302.422 0.725 20 10 DCCDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001205248383 772984883 /nfs/dbraw/zinc/98/48/83/772984883.db2.gz OTXHPWDTRVPGDU-QGZVFWFLSA-N 3 1 321.421 0.550 20 10 DCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)cc(O)cc1O ZINC001275112740 951962240 /nfs/dbraw/zinc/96/22/40/951962240.db2.gz NOTRMHPXXXYXBT-TXEJJXNPSA-N 2 1 307.394 0.624 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@@]3(C)CO)cc2)CC1 ZINC000895329323 662169942 /nfs/dbraw/zinc/16/99/42/662169942.db2.gz IYXITQUJUIBMNI-ROUUACIJSA-N 2 1 319.449 0.756 20 10 DCCDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556313 668366309 /nfs/dbraw/zinc/36/63/09/668366309.db2.gz NNMKLORSKZNQBS-KRWDZBQOSA-N 2 1 305.422 0.679 20 10 DCCDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556313 668366313 /nfs/dbraw/zinc/36/63/13/668366313.db2.gz NNMKLORSKZNQBS-KRWDZBQOSA-N 2 1 305.422 0.679 20 10 DCCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945403 670955528 /nfs/dbraw/zinc/95/55/28/670955528.db2.gz BGSCEUXUMPDOQY-NSHDSACASA-N 2 1 321.377 0.261 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(N)=O)cc2)CC1 ZINC000824960456 671445078 /nfs/dbraw/zinc/44/50/78/671445078.db2.gz WCIAVADSPPZFKV-MRXNPFEDSA-N 2 1 302.422 0.888 20 10 DCCDMP Oc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000843125160 672064980 /nfs/dbraw/zinc/06/49/80/672064980.db2.gz YGHIYKNTXOSULE-CYBMUJFWSA-N 2 1 305.378 0.600 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)cc2)CC1 ZINC001140302408 768524290 /nfs/dbraw/zinc/52/42/90/768524290.db2.gz RFDWDRXIXALLPO-FUHWJXTLSA-N 2 1 319.449 0.614 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1C[C@@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935703 769962850 /nfs/dbraw/zinc/96/28/50/769962850.db2.gz DZAGFALLEFTYHD-WFASDCNBSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1CN1C[C@@H]3CC[NH2+]C[C@H]3C1)C[NH2+]CCO2 ZINC001235935703 769962858 /nfs/dbraw/zinc/96/28/58/769962858.db2.gz DZAGFALLEFTYHD-WFASDCNBSA-N 2 1 303.406 0.916 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001218107445 774213269 /nfs/dbraw/zinc/21/32/69/774213269.db2.gz WXTQIDJEPDJAQJ-DOTOQJQBSA-N 2 1 302.422 0.521 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1O[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001218107445 774213277 /nfs/dbraw/zinc/21/32/77/774213277.db2.gz WXTQIDJEPDJAQJ-DOTOQJQBSA-N 2 1 302.422 0.521 20 10 DCCDMP COC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321530486 946367337 /nfs/dbraw/zinc/36/73/37/946367337.db2.gz STLIQMBKONHZTK-AWEZNQCLSA-N 2 1 311.401 0.674 20 10 DCCDMP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c1OC ZINC000892670180 659136288 /nfs/dbraw/zinc/13/62/88/659136288.db2.gz POERNTRKYFNPAM-ZDUSSCGKSA-N 2 1 310.394 0.956 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000872255099 667882736 /nfs/dbraw/zinc/88/27/36/667882736.db2.gz JPHXFWVUYPQOCT-BNOWGMLFSA-N 2 1 321.352 0.898 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000872255099 667882739 /nfs/dbraw/zinc/88/27/39/667882739.db2.gz JPHXFWVUYPQOCT-BNOWGMLFSA-N 2 1 321.352 0.898 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCNC1=O ZINC000775742553 668867261 /nfs/dbraw/zinc/86/72/61/668867261.db2.gz ATIFRBYQJWDCBI-INIZCTEOSA-N 2 1 302.422 0.759 20 10 DCCDMP C[NH2+]CCC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000829505357 671578250 /nfs/dbraw/zinc/57/82/50/671578250.db2.gz LRGYJOHHURIUEM-UHFFFAOYSA-N 2 1 320.437 0.543 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(OC)c1 ZINC001234985889 769732584 /nfs/dbraw/zinc/73/25/84/769732584.db2.gz HATFYERHCGBPHB-INIZCTEOSA-N 2 1 307.394 0.547 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235264665 769794018 /nfs/dbraw/zinc/79/40/18/769794018.db2.gz ADEVEWFKSLHKDT-YOEHRIQHSA-N 3 1 316.449 0.986 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235264665 769794022 /nfs/dbraw/zinc/79/40/22/769794022.db2.gz ADEVEWFKSLHKDT-YOEHRIQHSA-N 2 1 316.449 0.986 20 10 DCCDMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001235448213 769849131 /nfs/dbraw/zinc/84/91/31/769849131.db2.gz YAEUSTXMSLSOSQ-MRXNPFEDSA-N 2 1 318.421 0.043 20 10 DCCDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001205681464 773006143 /nfs/dbraw/zinc/00/61/43/773006143.db2.gz JTFXIWOLYAPUET-GOSISDBHSA-N 3 1 318.465 0.772 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH+](CCO)CCO)cc2F)CC1 ZINC001330107323 950125952 /nfs/dbraw/zinc/12/59/52/950125952.db2.gz AJYADEPGIJGWEP-UHFFFAOYSA-N 2 1 311.401 0.364 20 10 DCCDMP COc1ccc(N2CC[NH+](CCNC(=O)C(C)(C)[NH3+])CC2)cc1 ZINC000269315087 396406877 /nfs/dbraw/zinc/40/68/77/396406877.db2.gz YZPHVQKRKOCOPM-UHFFFAOYSA-N 2 1 320.437 0.671 20 10 DCCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945402 670955649 /nfs/dbraw/zinc/95/56/49/670955649.db2.gz BGSCEUXUMPDOQY-LLVKDONJSA-N 2 1 321.377 0.261 20 10 DCCDMP Oc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000843125161 672064916 /nfs/dbraw/zinc/06/49/16/672064916.db2.gz YGHIYKNTXOSULE-ZDUSSCGKSA-N 2 1 305.378 0.600 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C[C@H](O)CO)cc2)CC1 ZINC001140304203 768524131 /nfs/dbraw/zinc/52/41/31/768524131.db2.gz ZWUSXJRVEZALHC-KRWDZBQOSA-N 2 1 307.438 0.614 20 10 DCCDMP C[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046887 769971827 /nfs/dbraw/zinc/97/18/27/769971827.db2.gz JHYLMRCYYSBWHU-DZGCQCFKSA-N 3 1 304.438 0.971 20 10 DCCDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236046887 769971830 /nfs/dbraw/zinc/97/18/30/769971830.db2.gz JHYLMRCYYSBWHU-DZGCQCFKSA-N 3 1 304.438 0.971 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001276360190 942101293 /nfs/dbraw/zinc/10/12/93/942101293.db2.gz PZWGJOYSZNBYOI-RDJZCZTQSA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@@H]21 ZINC001276360190 942101302 /nfs/dbraw/zinc/10/13/02/942101302.db2.gz PZWGJOYSZNBYOI-RDJZCZTQSA-N 2 1 323.412 0.978 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCNC3=O)cc2F)CC1 ZINC001343319364 953337099 /nfs/dbraw/zinc/33/70/99/953337099.db2.gz MZUBBVHSNYOVEH-QGZVFWFLSA-N 2 1 320.412 0.946 20 10 DCCDMP COc1cc(C[NH+]2CC(C(=O)N(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139257038 768464552 /nfs/dbraw/zinc/46/45/52/768464552.db2.gz PLCYXYFUOUKCKB-UHFFFAOYSA-N 2 1 321.421 0.982 20 10 DCCDMP C[C@@H]1CN[C@@H](C)C[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235450002 769848244 /nfs/dbraw/zinc/84/82/44/769848244.db2.gz MDPJNQQMUCRCOA-UONOGXRCSA-N 2 1 304.438 0.984 20 10 DCCDMP C[C@@H]1CN[C@@H](C)C[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235450002 769848257 /nfs/dbraw/zinc/84/82/57/769848257.db2.gz MDPJNQQMUCRCOA-UONOGXRCSA-N 2 1 304.438 0.984 20 10 DCCDMP COc1cc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1OC ZINC001222104322 775272439 /nfs/dbraw/zinc/27/24/39/775272439.db2.gz DZVHIYCTCCBSMK-UHFFFAOYSA-N 2 1 321.421 0.937 20 10 DCCDMP CN(C)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222507170 775372790 /nfs/dbraw/zinc/37/27/90/775372790.db2.gz OVIJNWWQVSELKP-HOTGVXAUSA-N 2 1 304.438 0.984 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262329 769793965 /nfs/dbraw/zinc/79/39/65/769793965.db2.gz QLCMRTYDBUPKIJ-HOCLYGCPSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235262329 769793970 /nfs/dbraw/zinc/79/39/70/769793970.db2.gz QLCMRTYDBUPKIJ-HOCLYGCPSA-N 3 1 302.422 0.596 20 10 DCCDMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1 ZINC001235448212 769847203 /nfs/dbraw/zinc/84/72/03/769847203.db2.gz YAEUSTXMSLSOSQ-INIZCTEOSA-N 2 1 318.421 0.043 20 10 DCCDMP CC1(C)C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235837369 769951030 /nfs/dbraw/zinc/95/10/30/769951030.db2.gz FAZZAYRQTZCVTB-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP CC1(C)C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCN1 ZINC001235837369 769951036 /nfs/dbraw/zinc/95/10/36/769951036.db2.gz FAZZAYRQTZCVTB-UHFFFAOYSA-N 2 1 304.438 0.986 20 10 DCCDMP COc1cc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(OC)c1 ZINC001235994336 769965888 /nfs/dbraw/zinc/96/58/88/769965888.db2.gz LGUMTLQPTHALAF-SOSAQKQKSA-N 2 1 308.378 0.815 20 10 DCCDMP COc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(OC)c1 ZINC001235994336 769965896 /nfs/dbraw/zinc/96/58/96/769965896.db2.gz LGUMTLQPTHALAF-SOSAQKQKSA-N 2 1 308.378 0.815 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(=O)NC3CC3)cc2F)CC1 ZINC001328221193 948752300 /nfs/dbraw/zinc/75/23/00/948752300.db2.gz RDOOSRYJZQUNLM-UHFFFAOYSA-N 2 1 320.412 0.946 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000872256806 667882879 /nfs/dbraw/zinc/88/28/79/667882879.db2.gz YVUVWYROQJHOQH-GUTXKFCHSA-N 2 1 321.352 0.898 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000775668665 668866386 /nfs/dbraw/zinc/86/63/86/668866386.db2.gz GDYGHONFORCSEK-INIZCTEOSA-N 2 1 318.421 0.125 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000775668665 668866388 /nfs/dbraw/zinc/86/63/88/668866388.db2.gz GDYGHONFORCSEK-INIZCTEOSA-N 2 1 318.421 0.125 20 10 DCCDMP CN1CCN(c2ccc(C[NH2+]C[C@H]3[C@@H]4C[NH2+]C[C@H]34)cc2)CC1 ZINC001578536842 1165049970 /nfs/dbraw/zinc/04/99/70/1165049970.db2.gz IPNCFYJXQMUJEF-NNZMDNLPSA-N 2 1 300.450 0.993 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(OC)c1 ZINC001234985890 769733222 /nfs/dbraw/zinc/73/32/22/769733222.db2.gz HATFYERHCGBPHB-MRXNPFEDSA-N 2 1 307.394 0.547 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235032584 769748009 /nfs/dbraw/zinc/74/80/09/769748009.db2.gz RMDOIRWTCNJCBW-GOEBONIOSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235032584 769748015 /nfs/dbraw/zinc/74/80/15/769748015.db2.gz RMDOIRWTCNJCBW-GOEBONIOSA-N 2 1 302.422 0.596 20 10 DCCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C1CC[NH2+]CC1 ZINC001235466681 769851919 /nfs/dbraw/zinc/85/19/19/769851919.db2.gz SKJRQBSMKDAIGO-UHFFFAOYSA-N 3 1 304.438 0.986 20 10 DCCDMP CCc1ccc(C[NH+]2CCNCC[NH2+]CCNCC2)c(O)c1 ZINC001235873382 769957594 /nfs/dbraw/zinc/95/75/94/769957594.db2.gz GSQOXCKEJKRXBO-UHFFFAOYSA-N 2 1 306.454 0.539 20 10 DCCDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001205725241 773014551 /nfs/dbraw/zinc/01/45/51/773014551.db2.gz FJRJRXGLKBJHGY-KRWDZBQOSA-N 3 1 321.421 0.550 20 10 DCCDMP Oc1cc2c(cc1O)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246879014 945512641 /nfs/dbraw/zinc/51/26/41/945512641.db2.gz UMWIRCWZHVDRDN-CQSZACIVSA-N 2 1 303.406 0.940 20 10 DCCDMP C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347782849 954164280 /nfs/dbraw/zinc/16/42/80/954164280.db2.gz UBIJLYPKMAHWDA-GFCCVEGCSA-N 2 1 308.401 0.931 20 10 DCCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843048171 672056060 /nfs/dbraw/zinc/05/60/60/672056060.db2.gz ROFLGIOUEJHJNX-LBPRGKRZSA-N 2 1 307.394 0.688 20 10 DCCDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236083005 769979382 /nfs/dbraw/zinc/97/93/82/769979382.db2.gz KMBSPIVRQMCPJK-UHFFFAOYSA-N 3 1 317.481 0.433 20 10 DCCDMP Nc1ccc(CC(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)cc1 ZINC001161380100 772214303 /nfs/dbraw/zinc/21/43/03/772214303.db2.gz JIDBKOMJJWGZNA-MRXNPFEDSA-N 2 1 302.422 0.835 20 10 DCCDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(O)cc2O)CCC1=O ZINC001204279536 772944094 /nfs/dbraw/zinc/94/40/94/772944094.db2.gz AKBWCGFTDLSDPN-UHFFFAOYSA-N 2 1 307.394 0.694 20 10 DCCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3NCCO[C@H]3C1)C[NH2+]CCO2 ZINC001222697141 775418865 /nfs/dbraw/zinc/41/88/65/775418865.db2.gz VXOPXZJIMUTUTA-YOEHRIQHSA-N 2 1 319.405 0.437 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3NCCO[C@H]3C1)C[NH2+]CCO2 ZINC001222697141 775418870 /nfs/dbraw/zinc/41/88/70/775418870.db2.gz VXOPXZJIMUTUTA-YOEHRIQHSA-N 2 1 319.405 0.437 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001275821732 952479333 /nfs/dbraw/zinc/47/93/33/952479333.db2.gz YHBJPEGNRYFCEV-YOEHRIQHSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(O)c(O)c3)C[C@@H]21 ZINC001275821732 952479337 /nfs/dbraw/zinc/47/93/37/952479337.db2.gz YHBJPEGNRYFCEV-YOEHRIQHSA-N 2 1 321.421 0.544 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@]3(C)CO)cc2)CC1 ZINC000895329324 662169952 /nfs/dbraw/zinc/16/99/52/662169952.db2.gz IYXITQUJUIBMNI-ZWKOTPCHSA-N 2 1 319.449 0.756 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977689 769730666 /nfs/dbraw/zinc/73/06/66/769730666.db2.gz APXTYUWRMFOAAL-GASCZTMLSA-N 3 1 302.422 0.453 20 10 DCCDMP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331490 772987737 /nfs/dbraw/zinc/98/77/37/772987737.db2.gz GRFXKOASYFORRF-AWEZNQCLSA-N 2 1 304.438 0.986 20 10 DCCDMP C[C@H]1CC[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205331490 772987738 /nfs/dbraw/zinc/98/77/38/772987738.db2.gz GRFXKOASYFORRF-AWEZNQCLSA-N 2 1 304.438 0.986 20 10 DCCDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516826 944196422 /nfs/dbraw/zinc/19/64/22/944196422.db2.gz RBNGRPYWFXYEFT-OCCSQVGLSA-N 2 1 321.421 0.871 20 10 DCCDMP CN1CCN(c2ccc(C[N@@H+](C)CCOCC[NH3+])cc2F)CC1 ZINC001331846882 951359446 /nfs/dbraw/zinc/35/94/46/951359446.db2.gz JINWQWDMXLVFSQ-UHFFFAOYSA-N 2 1 324.444 0.985 20 10 DCCDMP C[N@H+](CCOCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331846882 951359454 /nfs/dbraw/zinc/35/94/54/951359454.db2.gz JINWQWDMXLVFSQ-UHFFFAOYSA-N 3 1 324.444 0.985 20 10 DCCDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331846882 951359471 /nfs/dbraw/zinc/35/94/71/951359471.db2.gz JINWQWDMXLVFSQ-UHFFFAOYSA-N 3 1 324.444 0.985 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000776010845 668870288 /nfs/dbraw/zinc/87/02/88/668870288.db2.gz WIIAYFJCHDPBTE-IRXDYDNUSA-N 2 1 305.422 0.366 20 10 DCCDMP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000844223988 672165916 /nfs/dbraw/zinc/16/59/16/672165916.db2.gz DINKXFKITIROFW-UHFFFAOYSA-N 2 1 320.437 0.154 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CO)[C@H](O)C3)cc2)CC1 ZINC001139409254 768472591 /nfs/dbraw/zinc/47/25/91/768472591.db2.gz XYRHJRHWCPBBHX-FUHWJXTLSA-N 2 1 319.449 0.614 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(N)=O)cc2)CC1 ZINC001139404694 768472611 /nfs/dbraw/zinc/47/26/11/768472611.db2.gz WCIAVADSPPZFKV-INIZCTEOSA-N 2 1 302.422 0.888 20 10 DCCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C[C@@H](O)CO)cc2)CC1 ZINC001140304204 768524467 /nfs/dbraw/zinc/52/44/67/768524467.db2.gz ZWUSXJRVEZALHC-QGZVFWFLSA-N 2 1 307.438 0.614 20 10 DCCDMP Oc1cc2c(cc1C[N@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235935699 769963043 /nfs/dbraw/zinc/96/30/43/769963043.db2.gz DZAGFALLEFTYHD-SWLSCSKDSA-N 3 1 303.406 0.916 20 10 DCCDMP Oc1cc2c(cc1CN1C[C@@H]3CC[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001235935699 769963047 /nfs/dbraw/zinc/96/30/47/769963047.db2.gz DZAGFALLEFTYHD-SWLSCSKDSA-N 2 1 303.406 0.916 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(OC)c1 ZINC001222502394 775369689 /nfs/dbraw/zinc/36/96/89/775369689.db2.gz KOZQMOGYLARSML-GJZGRUSLSA-N 2 1 321.421 0.935 20 10 DCCDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000863646844 667165882 /nfs/dbraw/zinc/16/58/82/667165882.db2.gz FVMPSWSZWZQHJH-UHFFFAOYSA-N 2 1 313.354 0.977 20 10 DCCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556315 668366351 /nfs/dbraw/zinc/36/63/51/668366351.db2.gz NNMKLORSKZNQBS-QGZVFWFLSA-N 2 1 305.422 0.679 20 10 DCCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000762556315 668366355 /nfs/dbraw/zinc/36/63/55/668366355.db2.gz NNMKLORSKZNQBS-QGZVFWFLSA-N 2 1 305.422 0.679 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000775637252 668866048 /nfs/dbraw/zinc/86/60/48/668866048.db2.gz MMHUEMFIPGFKHK-OAHLLOKOSA-N 2 1 302.422 0.746 20 10 DCCDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(O)c1 ZINC000849095344 670757287 /nfs/dbraw/zinc/75/72/87/670757287.db2.gz SZEAYSTXIYXRCP-UHFFFAOYSA-N 2 1 322.409 0.737 20 10 DCCDMP COc1ccc(N(C)CC[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000846225746 672302456 /nfs/dbraw/zinc/30/24/56/672302456.db2.gz TUXUWWVYVVDMFP-UHFFFAOYSA-N 2 1 306.454 0.968 20 10 DCCDMP Cn1cnnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001656029887 1173833203 /nfs/dbraw/zinc/83/32/03/1173833203.db2.gz VDARFFJGBBATIT-UHFFFAOYSA-N 2 1 300.410 0.857 20 10 DCCDMP C[NH+](C)CCN1CC[N@@H+](Cc2cc(O)ccc2O)CCC1=O ZINC001141161175 768570084 /nfs/dbraw/zinc/57/00/84/768570084.db2.gz NXPSIVYWPOSDFQ-UHFFFAOYSA-N 2 1 307.394 0.694 20 10 DCCDMP COc1cc(CN2CC(N3CCN(C)CC3)C2)c(O)cc1O ZINC001231639598 769271612 /nfs/dbraw/zinc/27/16/12/769271612.db2.gz WBRXJUPFPMXHJC-UHFFFAOYSA-N 2 1 307.394 0.538 20 10 DCCDMP COc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234989593 769737484 /nfs/dbraw/zinc/73/74/84/769737484.db2.gz PSUZLEAUCGVAEC-QGZVFWFLSA-N 2 1 304.438 0.899 20 10 DCCDMP COc1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1OC ZINC001234994046 769739374 /nfs/dbraw/zinc/73/93/74/769739374.db2.gz XCVYXDPTRUONGQ-MRXNPFEDSA-N 2 1 307.394 0.547 20 10 DCCDMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235003463 769740297 /nfs/dbraw/zinc/74/02/97/769740297.db2.gz YLTRFFQKOBTPEC-AEFFLSMTSA-N 3 1 316.449 0.110 20 10 DCCDMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001235003463 769740308 /nfs/dbraw/zinc/74/03/08/769740308.db2.gz YLTRFFQKOBTPEC-AEFFLSMTSA-N 3 1 316.449 0.110 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235264663 769792741 /nfs/dbraw/zinc/79/27/41/769792741.db2.gz ADEVEWFKSLHKDT-RHSMWYFYSA-N 3 1 316.449 0.986 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235264663 769792746 /nfs/dbraw/zinc/79/27/46/769792746.db2.gz ADEVEWFKSLHKDT-RHSMWYFYSA-N 2 1 316.449 0.986 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262327 769793932 /nfs/dbraw/zinc/79/39/32/769793932.db2.gz QLCMRTYDBUPKIJ-GOEBONIOSA-N 3 1 302.422 0.596 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235262327 769793938 /nfs/dbraw/zinc/79/39/38/769793938.db2.gz QLCMRTYDBUPKIJ-GOEBONIOSA-N 3 1 302.422 0.596 20 10 DCCDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001235676503 769930195 /nfs/dbraw/zinc/93/01/95/769930195.db2.gz RPQGLQICXLFSLT-CQSZACIVSA-N 3 1 304.438 0.973 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001236160488 769980693 /nfs/dbraw/zinc/98/06/93/769980693.db2.gz OSXCCLPMRIZQHS-UHFFFAOYSA-N 3 1 315.465 0.186 20 10 DCCDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)c1 ZINC001205255864 772985322 /nfs/dbraw/zinc/98/53/22/772985322.db2.gz MGHTZUOPORXBOP-QGZVFWFLSA-N 2 1 322.405 0.783 20 10 DCCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000315902392 774904527 /nfs/dbraw/zinc/90/45/27/774904527.db2.gz MOTWMMOYNWEDFP-LBPRGKRZSA-N 2 1 307.394 0.688 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001222696760 775418475 /nfs/dbraw/zinc/41/84/75/775418475.db2.gz ITGWGLNWIQISJW-ROUUACIJSA-N 2 1 316.449 0.659 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001222696760 775418482 /nfs/dbraw/zinc/41/84/82/775418482.db2.gz ITGWGLNWIQISJW-ROUUACIJSA-N 2 1 316.449 0.659 20 10 DCCDMP CCOc1ccc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000843046757 672056092 /nfs/dbraw/zinc/05/60/92/672056092.db2.gz AXUVTGQANQNWSG-UHFFFAOYSA-N 2 1 307.394 0.655 20 10 DCCDMP CCOc1ccc(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000843046757 672056094 /nfs/dbraw/zinc/05/60/94/672056094.db2.gz AXUVTGQANQNWSG-UHFFFAOYSA-N 2 1 307.394 0.655 20 10 DCCDMP COc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000843123346 672065174 /nfs/dbraw/zinc/06/51/74/672065174.db2.gz QHMGKRLEXSYQSL-CQSZACIVSA-N 2 1 321.421 0.889 20 10 DCCDMP CN1CCN(c2ccc(CN(CC[NH3+])CC[NH3+])c(F)c2)CC1 ZINC001235881028 769958648 /nfs/dbraw/zinc/95/86/48/769958648.db2.gz SYNXQAJTPPZKNW-UHFFFAOYSA-N 2 1 309.433 0.297 20 10 DCCDMP CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647235 668866061 /nfs/dbraw/zinc/86/60/61/668866061.db2.gz SERQOBAXAYTQTL-UHFFFAOYSA-N 2 1 304.438 0.958 20 10 DCCDMP CN(C)C(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647235 668866062 /nfs/dbraw/zinc/86/60/62/668866062.db2.gz SERQOBAXAYTQTL-UHFFFAOYSA-N 2 1 304.438 0.958 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H](O)C3)cc2)CC1 ZINC001139409060 756426540 /nfs/dbraw/zinc/42/65/40/756426540.db2.gz TZCLPWFCOKWNRL-QGZVFWFLSA-N 2 1 305.422 0.632 20 10 DCCDMP C[NH+](C)CCCN1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233485969 769370905 /nfs/dbraw/zinc/37/09/05/769370905.db2.gz SCALHNSMOFQVDK-UHFFFAOYSA-N 2 1 309.410 0.873 20 10 DCCDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985912 769732881 /nfs/dbraw/zinc/73/28/81/769732881.db2.gz HFYQLEJRMHPLKZ-GOSISDBHSA-N 3 1 315.465 0.234 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235198103 769777400 /nfs/dbraw/zinc/77/74/00/769777400.db2.gz NMHVFWAIKGXKHW-GDBMZVCRSA-N 3 1 316.449 0.843 20 10 DCCDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499708 773715038 /nfs/dbraw/zinc/71/50/38/773715038.db2.gz WBRZAIMSVSKCKH-CQSZACIVSA-N 3 1 304.438 0.986 20 10 DCCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001210499708 773715042 /nfs/dbraw/zinc/71/50/42/773715042.db2.gz WBRZAIMSVSKCKH-CQSZACIVSA-N 3 1 304.438 0.986 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C(N)=O)C3)cc2F)CC1 ZINC001253962743 946210121 /nfs/dbraw/zinc/21/01/21/946210121.db2.gz AAYFYPXCLVFLMZ-CQSZACIVSA-N 2 1 320.412 0.885 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(N)=O)C3)cc2F)CC1 ZINC001253962743 946210131 /nfs/dbraw/zinc/21/01/31/946210131.db2.gz AAYFYPXCLVFLMZ-CQSZACIVSA-N 2 1 320.412 0.885 20 10 DCCDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c(O)cc(O)cc3O)[C@@H]2C1 ZINC001275112456 951959912 /nfs/dbraw/zinc/95/99/12/951959912.db2.gz FDGHBUBVFXABMI-SWLSCSKDSA-N 2 1 321.421 0.871 20 10 DCCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(N)=O)CC3)cc2)CC1 ZINC001139409973 768472306 /nfs/dbraw/zinc/47/23/06/768472306.db2.gz YFZALQGLUBANMN-UHFFFAOYSA-N 2 1 317.437 0.635 20 10 DCCDMP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235005835 769740869 /nfs/dbraw/zinc/74/08/69/769740869.db2.gz HBXRPDFDFVAWEN-UHFFFAOYSA-N 3 1 302.422 0.725 20 10 DCCDMP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235005835 769740875 /nfs/dbraw/zinc/74/08/75/769740875.db2.gz HBXRPDFDFVAWEN-UHFFFAOYSA-N 3 1 302.422 0.725 20 10 DCCDMP NCC12CC(C1)C[N@@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235005835 769740883 /nfs/dbraw/zinc/74/08/83/769740883.db2.gz HBXRPDFDFVAWEN-UHFFFAOYSA-N 2 1 302.422 0.725 20 10 DCCDMP NCC12CC(C1)C[N@H+]2Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235005835 769740891 /nfs/dbraw/zinc/74/08/91/769740891.db2.gz HBXRPDFDFVAWEN-UHFFFAOYSA-N 2 1 302.422 0.725 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235713783 769936940 /nfs/dbraw/zinc/93/69/40/769936940.db2.gz PTBRSANPIZWKNZ-UHFFFAOYSA-N 3 1 316.449 0.987 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCCC2(C[NH2+]C2)C1 ZINC001235713783 769936943 /nfs/dbraw/zinc/93/69/43/769936943.db2.gz PTBRSANPIZWKNZ-UHFFFAOYSA-N 2 1 316.449 0.987 20 10 DCCDMP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236421810 770010100 /nfs/dbraw/zinc/01/01/00/770010100.db2.gz OWNLICVWMWRTMU-MRXNPFEDSA-N 3 1 304.438 0.986 20 10 DCCDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236421810 770010110 /nfs/dbraw/zinc/01/01/10/770010110.db2.gz OWNLICVWMWRTMU-MRXNPFEDSA-N 3 1 304.438 0.986 20 10 DCCDMP COCC[NH2+]CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325321628 947754269 /nfs/dbraw/zinc/75/42/69/947754269.db2.gz WRCGRIZJIKEKBY-UHFFFAOYSA-N 2 1 324.444 0.903 20 10 DCCDMP COc1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(O)cc1O ZINC001276093338 952913746 /nfs/dbraw/zinc/91/37/46/952913746.db2.gz YMSRYVSIPVJEHQ-UHFFFAOYSA-N 2 1 321.421 0.928 20 10 DCCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817945123 670955743 /nfs/dbraw/zinc/95/57/43/670955743.db2.gz UQDWWQJAQACDPG-GFCCVEGCSA-N 2 1 307.394 0.735 20 10 DCCDMP COc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000843123345 672065206 /nfs/dbraw/zinc/06/52/06/672065206.db2.gz QHMGKRLEXSYQSL-AWEZNQCLSA-N 2 1 321.421 0.889 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000844220610 672164915 /nfs/dbraw/zinc/16/49/15/672164915.db2.gz ZAMTWRNIGSCWQL-OAHLLOKOSA-N 2 1 304.438 0.992 20 10 DCCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000844220610 672164916 /nfs/dbraw/zinc/16/49/16/672164916.db2.gz ZAMTWRNIGSCWQL-OAHLLOKOSA-N 2 1 304.438 0.992 20 10 DCCDMP COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254304 768463217 /nfs/dbraw/zinc/46/32/17/768463217.db2.gz GDQSTRZZTZPEGP-CABCVRRESA-N 2 1 324.421 0.638 20 10 DCCDMP COc1cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc(C[NH+](C)C)c1O ZINC001139254304 768463224 /nfs/dbraw/zinc/46/32/24/768463224.db2.gz GDQSTRZZTZPEGP-CABCVRRESA-N 2 1 324.421 0.638 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052059 769752349 /nfs/dbraw/zinc/75/23/49/769752349.db2.gz CTICZCLXOCCTEH-GOSISDBHSA-N 2 1 316.449 0.661 20 10 DCCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052059 769752356 /nfs/dbraw/zinc/75/23/56/769752356.db2.gz CTICZCLXOCCTEH-GOSISDBHSA-N 2 1 316.449 0.661 20 10 DCCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222620258 775397973 /nfs/dbraw/zinc/39/79/73/775397973.db2.gz JODQFCVBLQDKHP-WMLDXEAASA-N 3 1 316.449 0.986 20 10 DCCDMP C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325423410 947791091 /nfs/dbraw/zinc/79/10/91/947791091.db2.gz NFFLJFMFNDACJC-IUODEOHRSA-N 2 1 311.401 0.409 20 10 DCCDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]21 ZINC001275267786 952038742 /nfs/dbraw/zinc/03/87/42/952038742.db2.gz WVUGSCLTVPTNBO-RDJZCZTQSA-N 2 1 305.422 0.839 20 10 DCCDMP CC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269241362 396398650 /nfs/dbraw/zinc/39/86/50/396398650.db2.gz BOJSSVPOLRDCLT-INIZCTEOSA-N 2 1 320.437 0.671 20 10 DCCDMP COc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc(C[NH+](C)C)c1O ZINC001139256349 768464668 /nfs/dbraw/zinc/46/46/68/768464668.db2.gz ZHTQDESFIUSXHM-ZIAGYGMSSA-N 2 1 310.394 0.247 20 10 DCCDMP Oc1cc2c(cc1O)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246879013 945512758 /nfs/dbraw/zinc/51/27/58/945512758.db2.gz UMWIRCWZHVDRDN-AWEZNQCLSA-N 2 1 303.406 0.940 20 10 DCCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000872256807 667883162 /nfs/dbraw/zinc/88/31/62/667883162.db2.gz YVUVWYROQJHOQH-NFAWXSAZSA-N 2 1 321.352 0.898 20 10 DCCDMP COCC[N@@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775679261 668866399 /nfs/dbraw/zinc/86/63/99/668866399.db2.gz STPDKRMEHIVWAM-UHFFFAOYSA-N 2 1 307.438 0.879 20 10 DCCDMP C[N@@H+](CCOCCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800545381 670094099 /nfs/dbraw/zinc/09/40/99/670094099.db2.gz PLNRXIDIPHEFCI-UHFFFAOYSA-N 2 1 307.438 0.879 20 10 DCCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000843045368 672055884 /nfs/dbraw/zinc/05/58/84/672055884.db2.gz VTLIDEOMWUQTSP-UHFFFAOYSA-N 2 1 304.438 0.925 20 10 DCCDMP COc1cc(O)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000843124651 672065181 /nfs/dbraw/zinc/06/51/81/672065181.db2.gz IKRUYZLPCCHEQL-AWEZNQCLSA-N 2 1 321.421 0.889 20 10 DCCDMP