smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2cc(CNCCC[NH2+]CCCC[NH2+]Cc3ccc4ccccc4c3)ccc2c1 ZINC000005843162 562945110 /nfs/dbraw/zinc/94/51/10/562945110.db2.gz WBEZSFOTIHPSFT-UHFFFAOYSA-N 2 1 425.620 5.632 1 0 IKAFMP Fc1ccc(CC[N@H+]2CCC[C@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803922 563008214 /nfs/dbraw/zinc/00/82/14/563008214.db2.gz WPCCYICQOQQNOQ-RUZDIDTESA-N 2 1 446.610 5.476 1 0 IKAFMP c1ccc(CCC[N@H+]2CCC[C@@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803924 563008259 /nfs/dbraw/zinc/00/82/59/563008259.db2.gz IQRFNUMAKGJEQR-MHZLTWQESA-N 2 1 442.647 5.727 1 0 IKAFMP Clc1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000026656637 563034852 /nfs/dbraw/zinc/03/48/52/563034852.db2.gz CLVOVQDWCOTBAC-LMSSTIIKSA-N 2 1 445.050 6.435 1 0 IKAFMP Clc1ccccc1CC[NH2+][C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027635897 563044901 /nfs/dbraw/zinc/04/49/01/563044901.db2.gz LKTXZRZNGUFCKQ-VSGBNLITSA-N 2 1 431.023 5.767 1 0 IKAFMP Clc1cccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885652 563068023 /nfs/dbraw/zinc/06/80/23/563068023.db2.gz VXDYSIRIWFJKDT-CLJLJLNGSA-N 2 1 425.016 5.877 1 0 IKAFMP COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893026 563068588 /nfs/dbraw/zinc/06/85/88/563068588.db2.gz WWSHLNJFRHBFML-HSZRJFAPSA-N 2 1 446.994 5.129 1 0 IKAFMP COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1Cl ZINC000028893018 563068608 /nfs/dbraw/zinc/06/86/08/563068608.db2.gz WWSHLNJFRHBFML-QHCPKHFHSA-N 2 1 446.994 5.129 1 0 IKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cccc5nsnc54)C3)[nH+]c2c1 ZINC000028951095 563069602 /nfs/dbraw/zinc/06/96/02/563069602.db2.gz WANPNPIZOBYJBU-ROUUACIJSA-N 2 1 433.581 5.069 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)[N@H+]2CCCC[C@@H]21)C(C)C ZINC000034079790 563085514 /nfs/dbraw/zinc/08/55/14/563085514.db2.gz IGHPVIUYETXOHE-STROYTFGSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)[N@@H+]2CCCC[C@@H]21)C(C)C ZINC000034079790 563085516 /nfs/dbraw/zinc/08/55/16/563085516.db2.gz IGHPVIUYETXOHE-STROYTFGSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[C@H]1CC[N@@H+](C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387902 563122068 /nfs/dbraw/zinc/12/20/68/563122068.db2.gz OWWFXCRBYSQOCJ-IWEKRLBRSA-N 2 1 438.744 6.671 1 0 IKAFMP C[NH+](C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)o1 ZINC000045190285 563123459 /nfs/dbraw/zinc/12/34/59/563123459.db2.gz DQJITXIHHXSGPQ-UHFFFAOYSA-N 2 1 435.527 7.092 1 0 IKAFMP Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(CN4CC[NH2+]CC4)o3)ccc12 ZINC000045195995 563124566 /nfs/dbraw/zinc/12/45/66/563124566.db2.gz IETFTEBDWVVSKA-UHFFFAOYSA-N 2 1 436.918 5.436 1 0 IKAFMP CC(C)C[NH2+]Cc1cccc(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000045209783 563125227 /nfs/dbraw/zinc/12/52/27/563125227.db2.gz JMTXEQWZLMCGBG-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP CC(C)C[NH2+]Cc1ccc(-c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000045322066 563130266 /nfs/dbraw/zinc/13/02/66/563130266.db2.gz JWMGLOXMMBVFHY-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000058536449 563144049 /nfs/dbraw/zinc/14/40/49/563144049.db2.gz WPRCHZNIQPXBQO-VLHXKCDLSA-N 2 1 440.635 5.443 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000058547209 563144373 /nfs/dbraw/zinc/14/43/73/563144373.db2.gz WPRCHZNIQPXBQO-XZFXIZQRSA-N 2 1 440.635 5.443 1 0 IKAFMP c1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](NC[NH+]4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064372866 563152700 /nfs/dbraw/zinc/15/27/00/563152700.db2.gz KQLFFCFQAHHKKO-DXRBEWIESA-N 2 1 443.679 5.604 1 0 IKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](NC[NH+]4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064361340 563152709 /nfs/dbraw/zinc/15/27/09/563152709.db2.gz QVJIOKGQFMBSOE-XBOJNMAYSA-N 2 1 429.652 5.214 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCC[C@@H]1c3c(cccc3C(C)C)CC[N@@H+]1C)[NH+](C)CC2 ZINC000073129727 563168628 /nfs/dbraw/zinc/16/86/28/563168628.db2.gz GWNFJINTBFKROJ-VSGBNLITSA-N 2 1 432.696 7.252 1 0 IKAFMP C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccccc45)cc3)cc2)cc1 ZINC000096927670 563198174 /nfs/dbraw/zinc/19/81/74/563198174.db2.gz WNUAHXYWSWGRST-UHFFFAOYSA-O 2 1 446.534 5.799 1 0 IKAFMP C[N@H+]1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@@H]1C1CCCCC1 ZINC000001909934 562925387 /nfs/dbraw/zinc/92/53/87/562925387.db2.gz XVWWDCXPGPSOQP-XQFUHLNNSA-N 2 1 437.631 6.504 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)[N@H+]2CCCC[C@@H]21)C(C)C ZINC000028755220 563063338 /nfs/dbraw/zinc/06/33/38/563063338.db2.gz IGHPVIUYETXOHE-FULLSBAXSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)[N@@H+]2CCCC[C@@H]21)C(C)C ZINC000028755220 563063339 /nfs/dbraw/zinc/06/33/39/563063339.db2.gz IGHPVIUYETXOHE-FULLSBAXSA-N 2 1 433.640 5.116 1 0 IKAFMP C[NH2+]Cc1cc(CCCCN2CC[NH+](C3CC3)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825339 563066237 /nfs/dbraw/zinc/06/62/37/563066237.db2.gz KSRMXPIAWHFMID-UHFFFAOYSA-N 2 1 439.669 5.023 1 0 in-vitro IKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCCCC3)ncc2[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028882980 563067963 /nfs/dbraw/zinc/06/79/63/563067963.db2.gz HFOWUCXCCMJFIB-HXUWFJFHSA-N 2 1 434.411 5.221 1 0 IKAFMP CN(C)c1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028886031 563068149 /nfs/dbraw/zinc/06/81/49/563068149.db2.gz XHVBANRDQDBXCL-WUFINQPMSA-N 2 1 433.640 5.290 1 0 IKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000028893180 563068583 /nfs/dbraw/zinc/06/85/83/563068583.db2.gz LGUCWRBFHWJFMF-XMMPIXPASA-N 2 1 448.529 5.068 1 0 IKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc5nsnc5c4)C3)[nH+]c2c1 ZINC000028951126 563069638 /nfs/dbraw/zinc/06/96/38/563069638.db2.gz QGNADKOJLHFNDE-ROUUACIJSA-N 2 1 433.581 5.069 1 0 IKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4cncc5ccccc54)C3)[nH+]c2c1 ZINC000028951077 563069641 /nfs/dbraw/zinc/06/96/41/563069641.db2.gz JMJVAROAWXUCQG-VXKWHMMOSA-N 2 1 426.564 5.613 1 0 IKAFMP CC(C)C[NH2+]Cc1cccc(-c2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000045195858 563124600 /nfs/dbraw/zinc/12/46/00/563124600.db2.gz FRVNLUMSVRQALM-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP c1ccc(C[N@H+]2CCC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)cc1 ZINC000045245431 563126490 /nfs/dbraw/zinc/12/64/90/563126490.db2.gz AIBIZBHLSVNEOY-YVGDEESBSA-N 2 1 436.643 6.457 1 0 IKAFMP CC(C)C[NH2+]Cc1cccc(-c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000045324168 563130768 /nfs/dbraw/zinc/13/07/68/563130768.db2.gz KDOYMOHJUKBRQZ-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP C/C=C1\C[N@H+]2CC[C@@H]3c4ccccc4N[C@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000058566793 563144550 /nfs/dbraw/zinc/14/45/50/563144550.db2.gz JBQRORTXNDQJOM-UPMLAETCSA-N 2 1 436.603 5.522 1 0 IKAFMP C[N@H+]1CCC2([NH+]3CCCC3)C[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)C2 ZINC000058608810 563145788 /nfs/dbraw/zinc/14/57/88/563145788.db2.gz PXIVUBCUTXAWIW-ARIYZQMHSA-N 2 1 429.435 6.193 1 0 IKAFMP CC(C)(C)OC(=O)NCCCCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000066112560 563159029 /nfs/dbraw/zinc/15/90/29/563159029.db2.gz UOUQAPCAEMPXEG-UHFFFAOYSA-N 2 1 445.692 5.539 1 0 IKAFMP [NH3+]CC[NH2+][C@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688887 563176128 /nfs/dbraw/zinc/17/61/28/563176128.db2.gz GGZZZDGZFLLSDQ-QFIPXVFZSA-N 2 1 425.601 5.657 1 0 IKAFMP Fc1ccc(-c2nc(CNc3cc[nH+]c4cc(Cl)ccc34)[nH]c2C[NH+]2CCCC2)cc1 ZINC000095560762 563182284 /nfs/dbraw/zinc/18/22/84/563182284.db2.gz BNKVHZDUABEEIG-UHFFFAOYSA-N 2 1 435.934 5.625 1 0 IKAFMP Cc1ccc(-c2nc(CNc3cc[nH+]c4cc(Cl)ccc34)[nH]c2C[NH+]2CCCC2)cc1 ZINC000095563581 563182916 /nfs/dbraw/zinc/18/29/16/563182916.db2.gz JAUGTAROYGYPER-UHFFFAOYSA-N 2 1 431.971 5.795 1 0 IKAFMP C[N@H+]1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@H]1C1CCCCC1 ZINC000253837830 581095738 /nfs/dbraw/zinc/09/57/38/581095738.db2.gz XVWWDCXPGPSOQP-HPUNYJORSA-N 2 1 437.631 6.504 1 0 IKAFMP Fc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803908 563008178 /nfs/dbraw/zinc/00/81/78/563008178.db2.gz FECMCOWJDSNXAS-VWLOTQADSA-N 2 1 446.610 5.476 1 0 IKAFMP Fc1ccc(CC[NH2+]C[C@@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803908 563008179 /nfs/dbraw/zinc/00/81/79/563008179.db2.gz FECMCOWJDSNXAS-VWLOTQADSA-N 2 1 446.610 5.476 1 0 IKAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@H](c2cccc(C[NH3+])c2)C1=O ZINC000013834504 563011981 /nfs/dbraw/zinc/01/19/81/563011981.db2.gz ULSZLAGIIKREDZ-YZIHRLCOSA-N 2 1 435.612 5.045 1 0 IKAFMP Oc1ccc2c(c1)CC[N@H+](Cc1ccccc1)[C@@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657454 563034892 /nfs/dbraw/zinc/03/48/92/563034892.db2.gz GYKURIAKKZGNMS-MUUNZHRXSA-N 2 1 428.576 5.015 1 0 IKAFMP Oc1ccc2c(c1)CC[N@H+](Cc1ccccc1)[C@H]2c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026657459 563034908 /nfs/dbraw/zinc/03/49/08/563034908.db2.gz GYKURIAKKZGNMS-NDEPHWFRSA-N 2 1 428.576 5.015 1 0 IKAFMP CC[NH+](CC)CCCCCCCCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000027553310 563043525 /nfs/dbraw/zinc/04/35/25/563043525.db2.gz IORURFPLEGRNBH-UHFFFAOYSA-N 2 1 434.466 6.872 1 0 IKAFMP Clc1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885628 563068017 /nfs/dbraw/zinc/06/80/17/563068017.db2.gz QQWLHACUUDXPDH-CLJLJLNGSA-N 2 1 425.016 5.877 1 0 IKAFMP Clc1ccccc1[C@@H]1C[N@H+]2CCC[C@@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000028885658 563068062 /nfs/dbraw/zinc/06/80/62/563068062.db2.gz RUXYPQKVSNTODL-AOYPEHQESA-N 2 1 425.016 5.877 1 0 IKAFMP CC[NH+](CC)CCCCN(CCCC[NH+](CC)CC)c1cc[nH+]c2cc(Cl)ccc21 ZINC000029052895 563073210 /nfs/dbraw/zinc/07/32/10/563073210.db2.gz QMDJEAIITBYSNG-UHFFFAOYSA-N 3 1 433.084 5.939 1 0 IKAFMP O=C(Nc1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1)c1ccc(Cl)c(Cl)c1 ZINC000034012812 563085335 /nfs/dbraw/zinc/08/53/35/563085335.db2.gz QYFXAWGBRVJHGG-KRWDZBQOSA-N 2 1 441.362 5.078 1 0 IKAFMP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([NH2+]CC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040380388 563099670 /nfs/dbraw/zinc/09/96/70/563099670.db2.gz HQNOVTVJJXVGAC-AXYOXNHISA-N 2 1 428.749 6.945 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000040392951 563100108 /nfs/dbraw/zinc/10/01/08/563100108.db2.gz WPRCHZNIQPXBQO-YTIQZADCSA-N 2 1 440.635 5.443 1 0 IKAFMP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)cc1 ZINC000045167010 563122221 /nfs/dbraw/zinc/12/22/21/563122221.db2.gz JOHAVCJNQGWSRX-UHFFFAOYSA-N 2 1 436.534 5.785 1 0 IKAFMP CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)c1 ZINC000045190328 563123488 /nfs/dbraw/zinc/12/34/88/563123488.db2.gz FFEZYDJYNFCHDG-UHFFFAOYSA-N 2 1 448.973 6.089 1 0 IKAFMP COc1cc(NCCC[NH2+]CC2c3ccccc3Oc3ccccc32)[nH+]c2ccccc21 ZINC000045194313 563124162 /nfs/dbraw/zinc/12/41/62/563124162.db2.gz CONRTMPWOLSGRB-UHFFFAOYSA-N 2 1 425.532 5.573 1 0 IKAFMP Cc1ccc(O)cc1Nc1cc[nH+]c2cc(-c3csc(CN(C)CC[NH+](C)C)n3)ccc12 ZINC000045229631 563125949 /nfs/dbraw/zinc/12/59/49/563125949.db2.gz WTDHTJBBTQCBTM-UHFFFAOYSA-N 2 1 447.608 5.109 1 0 IKAFMP c1[nH]c2nc(NC3CCCC3)[nH+]cc2c1-c1cccc(C[NH+]2CCc3ccccc3CC2)c1 ZINC000045230114 563126133 /nfs/dbraw/zinc/12/61/33/563126133.db2.gz CSNAVPXZADABAL-UHFFFAOYSA-N 2 1 437.591 5.580 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000045483949 563134195 /nfs/dbraw/zinc/13/41/95/563134195.db2.gz WPRCHZNIQPXBQO-OKMFBQAESA-N 2 1 440.635 5.443 1 0 IKAFMP c1ccc(C[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@H]2CCCc3cccnc32)cc1 ZINC000049071124 563137794 /nfs/dbraw/zinc/13/77/94/563137794.db2.gz NJDVDIVVFUXOHL-LJAQVGFWSA-N 2 1 448.614 5.846 1 0 IKAFMP CSc1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509683 563143817 /nfs/dbraw/zinc/14/38/17/563143817.db2.gz ZJAKASJNDYDJES-SVBPBHIXSA-N 2 1 436.665 5.946 1 0 IKAFMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cccc(Cl)c5)cc34)cc2)CC1 ZINC000058537952 563144153 /nfs/dbraw/zinc/14/41/53/563144153.db2.gz XBVRPTCUVVCGKN-UHFFFAOYSA-N 2 1 428.967 6.051 1 0 IKAFMP Clc1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058685450 563146095 /nfs/dbraw/zinc/14/60/95/563146095.db2.gz QQWLHACUUDXPDH-UIOOFZCWSA-N 2 1 425.016 5.877 1 0 IKAFMP CC[NH+](CC)CCC[NH2+]Cc1nccc2c3ccccc3n(Cc3cccc(Cl)c3)c21 ZINC000072104671 563162896 /nfs/dbraw/zinc/16/28/96/563162896.db2.gz OTUOURSZTIZIST-UHFFFAOYSA-N 2 1 435.015 5.713 1 0 IKAFMP Cn1c(CNc2cc[nH+]c3cc(Cl)ccc23)nc(-c2ccccc2)c1C[NH+]1CCCC1 ZINC000095562409 563182686 /nfs/dbraw/zinc/18/26/86/563182686.db2.gz AAWUYTWRCPGEKD-UHFFFAOYSA-N 2 1 431.971 5.497 1 0 IKAFMP C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccccc45)cc3)c2)cc1 ZINC000096927669 563198171 /nfs/dbraw/zinc/19/81/71/563198171.db2.gz QMQOSWINFHQBOV-UHFFFAOYSA-O 2 1 446.534 5.799 1 0 IKAFMP C[n+]1ccc(Nc2cccc(C(=O)Nc3ccc(Nc4cc[nH+]c5ccccc45)cc3)c2)cc1 ZINC000096927675 563198178 /nfs/dbraw/zinc/19/81/78/563198178.db2.gz VOYLLADYILZQAL-UHFFFAOYSA-O 2 1 446.534 5.799 1 0 IKAFMP C[N@H+]1CCc2ccc([C@@H]3C[C@@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@H]1C1CCCCC1 ZINC000253837834 581095708 /nfs/dbraw/zinc/09/57/08/581095708.db2.gz XVWWDCXPGPSOQP-IUAQSZDVSA-N 2 1 437.631 6.504 1 0 IKAFMP Clc1ccc2c(NCCCCCCCCCCCC[NH+]3CCCCC3)cc[nH+]c2c1 ZINC000003973592 562940248 /nfs/dbraw/zinc/94/02/48/562940248.db2.gz CTBQWSSPGINCLL-UHFFFAOYSA-N 2 1 430.080 7.687 1 0 IKAFMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCCCN1c2ccccc2O[C@@H](c2cccc(C[NH3+])c2)C1=O ZINC000013834505 563011999 /nfs/dbraw/zinc/01/19/99/563011999.db2.gz ULSZLAGIIKREDZ-UZINWLIJSA-N 2 1 435.612 5.045 1 0 IKAFMP Fc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026664141 563035105 /nfs/dbraw/zinc/03/51/05/563035105.db2.gz UAASWCCHNDDVQA-LMSSTIIKSA-N 2 1 428.595 5.921 1 0 IKAFMP Clc1ccccc1CCC[NH2+][C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000027635891 563044895 /nfs/dbraw/zinc/04/48/95/563044895.db2.gz RGXKBMFDOAFNBV-FQLXRVMXSA-N 2 1 445.050 6.157 1 0 IKAFMP C[NH+](CCN(CC[NH+](C)C1CCCCC1)CC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000028250349 563052237 /nfs/dbraw/zinc/05/22/37/563052237.db2.gz BXZAGRNTBXFXGY-UHFFFAOYSA-N 3 1 434.757 5.082 1 0 IKAFMP CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@H+]2CCCC[C@@H]21)C(C)C ZINC000028755747 563063398 /nfs/dbraw/zinc/06/33/98/563063398.db2.gz HGYTZWBWQCKAAF-IAPPQJPRSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@@H+]2CCCC[C@@H]21)C(C)C ZINC000028755747 563063400 /nfs/dbraw/zinc/06/34/00/563063400.db2.gz HGYTZWBWQCKAAF-IAPPQJPRSA-N 2 1 433.640 5.042 1 0 IKAFMP C[NH2+]Cc1cc(CCCCN2CC[NH+](C(C)C)CC2)ccc1Oc1ccc(SC)cc1 ZINC000028825338 563066259 /nfs/dbraw/zinc/06/62/59/563066259.db2.gz OITIJKINXHWSKF-UHFFFAOYSA-N 2 1 441.685 5.269 1 0 in-vitro IKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCC(F)CC3)ccc2[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000028893174 563068594 /nfs/dbraw/zinc/06/85/94/563068594.db2.gz LGUCWRBFHWJFMF-DEOSSOPVSA-N 2 1 448.529 5.068 1 0 IKAFMP COc1cc(N[C@H]2CCC[C@H]([NH2+]Cc3ccsc3)C2)[nH+]c2ccc(OC(C)C)cc21 ZINC000028950987 563069645 /nfs/dbraw/zinc/06/96/45/563069645.db2.gz NRFZAQYZAXFSAH-OALUTQOASA-N 2 1 425.598 5.605 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)[N@H+]2CCCC[C@H]21)C(C)C ZINC000034079788 563085564 /nfs/dbraw/zinc/08/55/64/563085564.db2.gz IGHPVIUYETXOHE-ZRRKCSAHSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@@H](c2ccccc2)[N@@H+]2CCCC[C@H]21)C(C)C ZINC000034079788 563085565 /nfs/dbraw/zinc/08/55/65/563085565.db2.gz IGHPVIUYETXOHE-ZRRKCSAHSA-N 2 1 433.640 5.116 1 0 IKAFMP c1ccc2c(c1)cccc2CNCCC[NH2+]CCCC[NH2+]Cc1cccc2ccccc21 ZINC000036294439 563092553 /nfs/dbraw/zinc/09/25/53/563092553.db2.gz MLWPNZQFWRBZDW-UHFFFAOYSA-N 2 1 425.620 5.632 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000040392952 563100106 /nfs/dbraw/zinc/10/01/06/563100106.db2.gz WPRCHZNIQPXBQO-OVBBMAEPSA-N 2 1 440.635 5.443 1 0 IKAFMP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040862955 563108397 /nfs/dbraw/zinc/10/83/97/563108397.db2.gz YKBCGZADLMFJPQ-XWEDIQBQSA-N 2 1 430.765 7.025 1 0 IKAFMP C/C=C1\C[N@H+]2CC[C@@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000042877931 563115841 /nfs/dbraw/zinc/11/58/41/563115841.db2.gz JBQRORTXNDQJOM-KUXKYDNSSA-N 2 1 436.603 5.522 1 0 IKAFMP CC(C)[C@@H]1CC[N@@H+](C)[C@@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387896 563121974 /nfs/dbraw/zinc/12/19/74/563121974.db2.gz OWWFXCRBYSQOCJ-MMLDUVECSA-N 2 1 438.744 6.671 1 0 IKAFMP COCC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)o1 ZINC000045187976 563122985 /nfs/dbraw/zinc/12/29/85/563122985.db2.gz BRUUHHCAPSBTDC-UHFFFAOYSA-N 2 1 425.891 5.767 1 0 IKAFMP C[NH+](C)CCCn1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc(-c3ccccc3)ccc21 ZINC000045210999 563125342 /nfs/dbraw/zinc/12/53/42/563125342.db2.gz IXZYYUCUYIPXGB-VSGJHWFKSA-N 2 1 445.607 5.042 1 0 IKAFMP CC(C)[C@H](C[NH2+]Cc1ccccc1)N1CC[N@@H+](CCC2CCCC2)[C@@H](Cc2ccccc2)C1 ZINC000045284792 563128087 /nfs/dbraw/zinc/12/80/87/563128087.db2.gz RHYCSWWHAWJGGM-KYJUHHDHSA-N 2 1 447.711 5.610 1 0 IKAFMP Clc1ccc2c(NCC[NH2+]CCN(Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000045289122 563128677 /nfs/dbraw/zinc/12/86/77/563128677.db2.gz UCDMRDREPWCOGR-UHFFFAOYSA-N 2 1 445.010 5.592 1 0 IKAFMP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH2+]Cc5ccc(C[NH3+])cc5)c4)s3)[nH]c21 ZINC000045303214 563129683 /nfs/dbraw/zinc/12/96/83/563129683.db2.gz DOJGKDVHMAFCCK-UHFFFAOYSA-N 2 1 438.600 6.015 1 0 IKAFMP C[NH+](C)CCCC(=O)Nc1ccc2[nH+]ccc(Nc3cccc(Br)c3)c2c1 ZINC000049067412 563137358 /nfs/dbraw/zinc/13/73/58/563137358.db2.gz PHFAEZLTGYDQNR-UHFFFAOYSA-N 2 1 427.346 5.021 1 0 IKAFMP c1ccc(C[N@H+](Cc2ccc(C[NH2+]Cc3ccccn3)cc2)[C@@H]2CCCc3cccnc32)cc1 ZINC000049071121 563137780 /nfs/dbraw/zinc/13/77/80/563137780.db2.gz NJDVDIVVFUXOHL-GDLZYMKVSA-N 2 1 448.614 5.846 1 0 IKAFMP CSc1ccc(-c2ccc3[nH+]ccc(Nc4ccc(N5CC[NH+](C)CC5)cc4)c3c2)cc1 ZINC000058534742 563143962 /nfs/dbraw/zinc/14/39/62/563143962.db2.gz WKWSSSBOFOOKQN-UHFFFAOYSA-N 2 1 440.616 6.119 1 0 IKAFMP Clc1ccc2c(NCCCN3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)cc[nH+]c2c1 ZINC000064251908 563152511 /nfs/dbraw/zinc/15/25/11/563152511.db2.gz VSFJFRGRJCHPPX-UHFFFAOYSA-N 2 1 439.047 5.133 1 0 IKAFMP C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000064379432 563152793 /nfs/dbraw/zinc/15/27/93/563152793.db2.gz YQBDNYJILQTAQT-HZVHRBLSSA-N 3 1 445.695 5.599 1 0 IKAFMP C[NH+](C)C12C[C@@H](c3ccccc3)C([C@H](c3ccccc3)C1)N(CCC[NH+]1CCCCC1)CC2 ZINC000064379432 563152794 /nfs/dbraw/zinc/15/27/94/563152794.db2.gz YQBDNYJILQTAQT-HZVHRBLSSA-N 2 1 445.695 5.599 1 0 IKAFMP Clc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH+]1CCC(c2ccccc2)CC1 ZINC000026653897 563034697 /nfs/dbraw/zinc/03/46/97/563034697.db2.gz AIBUJZOURZLWNC-XCZPVHLTSA-N 2 1 445.050 6.435 1 0 IKAFMP c1ccc(CCC[N@H+]2C[C@H](C[NH+]3CCC(c4ccccc4)CC3)[C@@H](c3ccccc3)C2)cc1 ZINC000026654388 563034766 /nfs/dbraw/zinc/03/47/66/563034766.db2.gz SAGVACGYDFCJIK-IOWSJCHKSA-N 2 1 438.659 6.214 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)[N@H+]2CCCC[C@H]21)C(C)C ZINC000028755217 563063349 /nfs/dbraw/zinc/06/33/49/563063349.db2.gz IGHPVIUYETXOHE-UNCTUWKVSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccccc2)C(=O)N[C@H](c2ccccc2)[N@@H+]2CCCC[C@H]21)C(C)C ZINC000028755217 563063351 /nfs/dbraw/zinc/06/33/51/563063351.db2.gz IGHPVIUYETXOHE-UNCTUWKVSA-N 2 1 433.640 5.116 1 0 IKAFMP CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@H+]2CCCC[C@H]21)C(C)C ZINC000028755743 563063388 /nfs/dbraw/zinc/06/33/88/563063388.db2.gz HGYTZWBWQCKAAF-XCZPVHLTSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+](CC[C@@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@@H+]2CCCC[C@H]21)C(C)C ZINC000028755743 563063390 /nfs/dbraw/zinc/06/33/90/563063390.db2.gz HGYTZWBWQCKAAF-XCZPVHLTSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@H](c2ccc(Cl)c(Cl)c2)C[N@@H+](C)C3)CC1 ZINC000028883649 563067903 /nfs/dbraw/zinc/06/79/03/563067903.db2.gz HRDUUEDPDCVSJF-NRFANRHFSA-N 2 1 448.438 5.465 1 0 IKAFMP CC(C)[NH+]1CCC(COc2cc3c(cn2)[C@@H](c2ccc(Cl)c(Cl)c2)C[N@@H+](C)C3)CC1 ZINC000028883656 563067909 /nfs/dbraw/zinc/06/79/09/563067909.db2.gz HRDUUEDPDCVSJF-OAQYLSRUSA-N 2 1 448.438 5.465 1 0 IKAFMP Clc1ccccc1[C@H]1C[N@H+]2CCC[C@@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000028885665 563068031 /nfs/dbraw/zinc/06/80/31/563068031.db2.gz RUXYPQKVSNTODL-AZGAKELHSA-N 2 1 425.016 5.877 1 0 IKAFMP Clc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885621 563068040 /nfs/dbraw/zinc/06/80/40/563068040.db2.gz QQWLHACUUDXPDH-IZZNHLLZSA-N 2 1 425.016 5.877 1 0 IKAFMP CN(C)c1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028886038 563068145 /nfs/dbraw/zinc/06/81/45/563068145.db2.gz XHVBANRDQDBXCL-VSGBNLITSA-N 2 1 433.640 5.290 1 0 IKAFMP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCC[NH+]4CCC(F)CC4)ccc32)cc1 ZINC000028893124 563068575 /nfs/dbraw/zinc/06/85/75/563068575.db2.gz ZYALYWXELCWDBL-RUZDIDTESA-N 2 1 428.617 5.189 1 0 IKAFMP COc1ccc2c(C)cc(N[C@H]3CCC[C@H]([NH2+]Cc4ccc(Cl)c(Cl)c4)C3)[nH+]c2c1 ZINC000028951086 563069630 /nfs/dbraw/zinc/06/96/30/563069630.db2.gz FHCNKAAOBUPAHQ-ROUUACIJSA-N 2 1 444.406 6.372 1 0 IKAFMP CCC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(F)ccc1OC ZINC000036474061 563095374 /nfs/dbraw/zinc/09/53/74/563095374.db2.gz ZZIZUCRRSLRFCS-UHFFFAOYSA-N 2 1 429.967 6.140 1 0 IKAFMP CCC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cc(F)ccc1OC ZINC000036474061 563095375 /nfs/dbraw/zinc/09/53/75/563095375.db2.gz ZZIZUCRRSLRFCS-UHFFFAOYSA-N 2 1 429.967 6.140 1 0 IKAFMP CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H]([NH2+]CC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040867151 563108935 /nfs/dbraw/zinc/10/89/35/563108935.db2.gz OSEGKKXKKFOBIS-AXYOXNHISA-N 2 1 428.749 6.945 1 0 IKAFMP Cc1ccc(C[N@H+]2CCc3cc(NC(=O)c4ccc5cc(C(N)=[NH2+])ccc5c4)ccc3C2)cc1 ZINC000043066037 563117808 /nfs/dbraw/zinc/11/78/08/563117808.db2.gz XSSKQWKKJUDYTG-UHFFFAOYSA-N 2 1 448.570 5.243 1 0 IKAFMP O=C(NCc1cccc(Cl)c1)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045168695 563122654 /nfs/dbraw/zinc/12/26/54/563122654.db2.gz IJCINOKBKRPLHQ-UHFFFAOYSA-N 2 1 448.010 5.024 1 0 IKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH2+]Cc5ccc(C[NH3+])cc5)cc4)cc3)[nH]c21 ZINC000045192998 563123917 /nfs/dbraw/zinc/12/39/17/563123917.db2.gz GJHYAMXQYMZSBJ-UHFFFAOYSA-N 2 1 432.571 5.954 1 0 IKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@H+](CCN2CCCC2)CC3)cc1 ZINC000045314853 563129781 /nfs/dbraw/zinc/12/97/81/563129781.db2.gz QKAHMGCMLSZVDU-HZVHRBLSSA-N 2 1 443.679 5.353 1 0 IKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[N@@H+](CCN2CCCC2)CC3)cc1 ZINC000045314853 563129782 /nfs/dbraw/zinc/12/97/82/563129782.db2.gz QKAHMGCMLSZVDU-HZVHRBLSSA-N 2 1 443.679 5.353 1 0 IKAFMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)cc1 ZINC000045322759 563130528 /nfs/dbraw/zinc/13/05/28/563130528.db2.gz IGEHWQXOUZGCOC-UHFFFAOYSA-N 2 1 436.534 5.785 1 0 IKAFMP CC[NH+](CC)Cc1ccc(OCCCCCCCCCCN2CC[NH+](CC)CC2)cc1 ZINC000049050149 563136876 /nfs/dbraw/zinc/13/68/76/563136876.db2.gz NYTYPVOAZPIHJY-UHFFFAOYSA-N 2 1 431.709 5.666 1 0 IKAFMP CN(C)c1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000058509449 563143777 /nfs/dbraw/zinc/14/37/77/563143777.db2.gz XHVBANRDQDBXCL-NSOVKSMOSA-N 2 1 433.640 5.290 1 0 IKAFMP C[NH+]1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(Cl)cc5)cc34)cc2)CC1 ZINC000058520190 563143925 /nfs/dbraw/zinc/14/39/25/563143925.db2.gz CQERPSZQVAXWHF-UHFFFAOYSA-N 2 1 428.967 6.051 1 0 IKAFMP Clc1cccc([C@H]2C[N@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000058692621 563146068 /nfs/dbraw/zinc/14/60/68/563146068.db2.gz VXDYSIRIWFJKDT-FTJBHMTQSA-N 2 1 425.016 5.877 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCCC[C@@H]1c3c(cccc3C(C)C)CC[N@@H+]1C)[NH+](C)CC2 ZINC000073129903 563168635 /nfs/dbraw/zinc/16/86/35/563168635.db2.gz VZJNCIRXNGARQY-FQLXRVMXSA-N 2 1 446.723 7.642 1 0 IKAFMP C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([C@@H](Cc3ccccc3)[NH+]3CCCCC3)cc2)cc1 ZINC000073224215 563170937 /nfs/dbraw/zinc/17/09/37/563170937.db2.gz YCRYTSLKCPSJNF-OOWIMERYSA-N 2 1 438.659 7.108 1 0 IKAFMP Clc1ccc2c(NCc3nc(-c4ccccc4)c(C[NH+]4CCCC4)s3)cc[nH+]c2c1 ZINC000095562054 563182582 /nfs/dbraw/zinc/18/25/82/563182582.db2.gz VEGMUPYOVNFZCP-UHFFFAOYSA-N 2 1 434.996 6.220 1 0 IKAFMP c1ccc(CCC[NH2+]C[C@@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803913 563008198 /nfs/dbraw/zinc/00/81/98/563008198.db2.gz FDTFUBJUWHYSGU-MHZLTWQESA-N 2 1 442.647 5.727 1 0 IKAFMP c1ccc(CCC[NH2+]C[C@@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803913 563008199 /nfs/dbraw/zinc/00/81/99/563008199.db2.gz FDTFUBJUWHYSGU-MHZLTWQESA-N 2 1 442.647 5.727 1 0 IKAFMP c1ccc(CCC[N@H+]2CCC[C@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803927 563008237 /nfs/dbraw/zinc/00/82/37/563008237.db2.gz IQRFNUMAKGJEQR-HHHXNRCGSA-N 2 1 442.647 5.727 1 0 IKAFMP Clc1cccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000026656642 563034921 /nfs/dbraw/zinc/03/49/21/563034921.db2.gz LLRZXEPSNACQNM-LMSSTIIKSA-N 2 1 445.050 6.435 1 0 IKAFMP CCCC[N@@H+](CCC)CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000028126585 563051188 /nfs/dbraw/zinc/05/11/88/563051188.db2.gz MBUGSNXOIVWTSL-UHFFFAOYSA-N 2 1 435.700 5.775 1 0 IKAFMP C[N@@H+]1Cc2cc(OCCC[NH+]3CCCCC3)ncc2[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000028882974 563067966 /nfs/dbraw/zinc/06/79/66/563067966.db2.gz HFOWUCXCCMJFIB-FQEVSTJZSA-N 2 1 434.411 5.221 1 0 IKAFMP CSc1ccc([C@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028885917 563068069 /nfs/dbraw/zinc/06/80/69/563068069.db2.gz ZJAKASJNDYDJES-KAYWLYCHSA-N 2 1 436.665 5.946 1 0 IKAFMP CCC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1c(F)cccc1OC ZINC000036474296 563095444 /nfs/dbraw/zinc/09/54/44/563095444.db2.gz PHGNXDJTAZLWNF-UHFFFAOYSA-N 2 1 429.967 6.140 1 0 IKAFMP CCC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1c(F)cccc1OC ZINC000036474296 563095446 /nfs/dbraw/zinc/09/54/46/563095446.db2.gz PHGNXDJTAZLWNF-UHFFFAOYSA-N 2 1 429.967 6.140 1 0 IKAFMP [NH3+]C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875236 563109357 /nfs/dbraw/zinc/10/93/57/563109357.db2.gz ZXQRFYDNLYVWDD-NJEHHLDASA-N 2 1 437.414 6.564 1 0 IKAFMP [NH3+]C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875236 563109358 /nfs/dbraw/zinc/10/93/58/563109358.db2.gz ZXQRFYDNLYVWDD-NJEHHLDASA-N 2 1 437.414 6.564 1 0 IKAFMP Fc1ccc(Nc2cc[nH+]c3cc(-c4cccc(C[NH+]5CCCCC5)c4)ccc23)c(Cl)c1 ZINC000045189208 563123256 /nfs/dbraw/zinc/12/32/56/563123256.db2.gz AYAKYRPJCQZBLG-UHFFFAOYSA-N 2 1 445.969 7.424 1 0 IKAFMP CC(C)C[NH2+]Cc1ccc(-c2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045195123 563124376 /nfs/dbraw/zinc/12/43/76/563124376.db2.gz WIHAWCNFTNERGZ-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP CC(C)C[NH2+]Cc1ccc(-c2cccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000045230817 563126190 /nfs/dbraw/zinc/12/61/90/563126190.db2.gz QJWVUVFXZLMXSL-UHFFFAOYSA-N 3 1 441.663 5.853 1 0 IKAFMP O=C(C[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)N(c1ccccc1)c1ccccc1 ZINC000045253618 563126938 /nfs/dbraw/zinc/12/69/38/563126938.db2.gz SWGLORZHZJPCPC-UHFFFAOYSA-N 2 1 430.939 5.255 1 0 IKAFMP C[N@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000045256854 563127427 /nfs/dbraw/zinc/12/74/27/563127427.db2.gz PXIVUBCUTXAWIW-HHLXFHKQSA-N 2 1 429.435 6.193 1 0 IKAFMP Clc1cc2[nH]c(C[NH2+][C@H]3CCC[C@@H]3CNc3[nH]c4ccccc4[nH+]3)cc2c(Cl)c1 ZINC000045323013 563130564 /nfs/dbraw/zinc/13/05/64/563130564.db2.gz ISOWOIXRSRWJHE-ACJLOTCBSA-N 2 1 428.367 5.721 1 0 IKAFMP Cc1c(Br)c(C(F)F)sc1C[NH2+]CCCNc1[nH]c2ccccc2[nH+]1 ZINC000045335087 563131261 /nfs/dbraw/zinc/13/12/61/563131261.db2.gz RFPVXVPZHCTBPK-UHFFFAOYSA-N 2 1 429.334 5.225 1 0 IKAFMP C[NH+](C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000058592028 563145630 /nfs/dbraw/zinc/14/56/30/563145630.db2.gz YQBDNYJILQTAQT-FSOBKABBSA-N 3 1 445.695 5.599 1 0 IKAFMP C[NH+](C)C12C[C@H](c3ccccc3)C([C@@H](c3ccccc3)C1)N(CCC[NH+]1CCCCC1)CC2 ZINC000058592028 563145631 /nfs/dbraw/zinc/14/56/31/563145631.db2.gz YQBDNYJILQTAQT-FSOBKABBSA-N 2 1 445.695 5.599 1 0 IKAFMP CC(C)(C)OC(=O)NCCCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000066104934 563158751 /nfs/dbraw/zinc/15/87/51/563158751.db2.gz SCVMTZYTXXDAJT-UHFFFAOYSA-N 2 1 431.665 5.148 1 0 IKAFMP CC1=[NH+]c2ccc(-c3cc4ccccc4o3)cc2[C@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072122957 563163969 /nfs/dbraw/zinc/16/39/69/563163969.db2.gz QPUPHEFBIFHKJD-PMERELPUSA-N 2 1 449.598 7.041 1 0 IKAFMP CC1=[NH+]c2ccc(-c3cc4ccccc4o3)cc2[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000072122958 563164018 /nfs/dbraw/zinc/16/40/18/563164018.db2.gz QPUPHEFBIFHKJD-SSEXGKCCSA-N 2 1 449.598 7.041 1 0 IKAFMP [NH3+]CC[NH2+][C@@H](CSc1ccc2ccccc2c1)Cn1c2ccccc2c2ccccc21 ZINC000084688884 563176087 /nfs/dbraw/zinc/17/60/87/563176087.db2.gz GGZZZDGZFLLSDQ-JOCHJYFZSA-N 2 1 425.601 5.657 1 0 IKAFMP COc1cc2[nH+]c(NC3CCCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000095493482 563180651 /nfs/dbraw/zinc/18/06/51/563180651.db2.gz AGJXPIGQGOYVMY-UHFFFAOYSA-N 2 1 441.620 5.070 1 0 IKAFMP CC1(C)O[C@@]2([C@@H]3CC[C@@H](Cc4ccccc4)[C@H](Cc4ccc(N)[nH+]c4)C3)CC[C@@H]1[C@@H]([NH3+])C2 ZINC000085543272 291399554 /nfs/dbraw/zinc/39/95/54/291399554.db2.gz WTGCQEAVENNNEM-YFKJGJBESA-N 2 1 433.640 5.157 1 0 biogenic,in-vitro IKAFMP C[NH+]1CCN(c2cc(-c3ccc4ccccc4c3)[nH+]c3ccc(-c4ccccc4)cc32)CC1 ZINC000028641848 536418233 /nfs/dbraw/zinc/41/82/33/536418233.db2.gz AJVJAFXLNRFLJI-UHFFFAOYSA-N 2 1 429.567 6.474 1 0 IKAFMP C[NH+](CCC[N@@H+](C)CCCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007714 /nfs/dbraw/zinc/00/77/14/563007714.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 2 1 430.636 5.679 1 0 IKAFMP C[NH+](CCC[N@H+](C)CCCc1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007715 /nfs/dbraw/zinc/00/77/15/563007715.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 2 1 430.636 5.679 1 0 IKAFMP C[NH+](CCCc1ccccc1)CCC[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007716 /nfs/dbraw/zinc/00/77/16/563007716.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 2 1 430.636 5.679 1 0 IKAFMP C[NH+](CCCc1ccccc1)CCC[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000013800378 563007717 /nfs/dbraw/zinc/00/77/17/563007717.db2.gz WGJCAKQLYZFCSH-UHFFFAOYSA-N 2 1 430.636 5.679 1 0 IKAFMP Fc1ccc(CC[NH2+]C[C@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803911 563008189 /nfs/dbraw/zinc/00/81/89/563008189.db2.gz FECMCOWJDSNXAS-RUZDIDTESA-N 2 1 446.610 5.476 1 0 IKAFMP Fc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803911 563008190 /nfs/dbraw/zinc/00/81/90/563008190.db2.gz FECMCOWJDSNXAS-RUZDIDTESA-N 2 1 446.610 5.476 1 0 IKAFMP CC[NH+](CC)CCCCNc1cc2[nH]c(=O)c(-c3c(Cl)cccc3Cl)cc2c[nH+]1 ZINC000021289528 563025357 /nfs/dbraw/zinc/02/53/57/563025357.db2.gz OMTMSMIIXGDMJB-UHFFFAOYSA-N 2 1 433.383 5.431 1 0 IKAFMP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2Cc2ccc(Cl)cc2Cl)CC1 ZINC000027526908 563043375 /nfs/dbraw/zinc/04/33/75/563043375.db2.gz SPBBSODFKMLVAT-UHFFFAOYSA-N 2 1 447.475 6.367 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@H+]2CCCC[C@H]21)C(C)C ZINC000028755741 563063312 /nfs/dbraw/zinc/06/33/12/563063312.db2.gz HGYTZWBWQCKAAF-XTEPFMGCSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@@H+]2CCCC[C@H]21)C(C)C ZINC000028755741 563063314 /nfs/dbraw/zinc/06/33/14/563063314.db2.gz HGYTZWBWQCKAAF-XTEPFMGCSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@H+]2CCCC[C@@H]21)C(C)C ZINC000028755745 563063437 /nfs/dbraw/zinc/06/34/37/563063437.db2.gz HGYTZWBWQCKAAF-IXCJQBJRSA-N 2 1 433.640 5.042 1 0 IKAFMP CC(C)[NH+](CC[C@]1(c2ccc(-c3ccccc3)cc2)C(=O)NC[N@@H+]2CCCC[C@@H]21)C(C)C ZINC000028755745 563063438 /nfs/dbraw/zinc/06/34/38/563063438.db2.gz HGYTZWBWQCKAAF-IXCJQBJRSA-N 2 1 433.640 5.042 1 0 IKAFMP COc1c(C)c(C[NH2+]CCNc2cc[nH+]c3cc(Cl)ccc23)c(OC)c2ccccc21 ZINC000029135570 563076280 /nfs/dbraw/zinc/07/62/80/563076280.db2.gz AUAQIGHRSQAUOJ-UHFFFAOYSA-N 2 1 435.955 5.569 1 0 IKAFMP CC(C)[C@H]1CC[N@@H+](C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387904 563122072 /nfs/dbraw/zinc/12/20/72/563122072.db2.gz OWWFXCRBYSQOCJ-KESCKXBLSA-N 2 1 438.744 6.671 1 0 IKAFMP CC(C)[C@@H]1CC[N@@H+](C)[C@H]1C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H]([NH3+])C=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000044387899 563122074 /nfs/dbraw/zinc/12/20/74/563122074.db2.gz OWWFXCRBYSQOCJ-YFDCAPTISA-N 2 1 438.744 6.671 1 0 IKAFMP COCC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)o1 ZINC000045227803 563125648 /nfs/dbraw/zinc/12/56/48/563125648.db2.gz WWBHQURSNYIFFB-UHFFFAOYSA-N 2 1 425.891 5.767 1 0 IKAFMP C[NH+](C)Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)o1 ZINC000045336233 563131513 /nfs/dbraw/zinc/13/15/13/563131513.db2.gz OLBAUZMSOJUPRI-UHFFFAOYSA-N 2 1 436.515 6.487 1 0 IKAFMP CC[C@H]1C[N@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000045483952 563134252 /nfs/dbraw/zinc/13/42/52/563134252.db2.gz WPRCHZNIQPXBQO-KVZZGNBVSA-N 2 1 440.635 5.443 1 0 IKAFMP Clc1ccccc1[C@H]1C[N@H+]2CCC[C@H]2c2cc(OCCC[NH+]3CCCCC3)ccc21 ZINC000058509561 563143763 /nfs/dbraw/zinc/14/37/63/563143763.db2.gz RUXYPQKVSNTODL-AHWVRZQESA-N 2 1 425.016 5.877 1 0 IKAFMP c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H]([NH2+]CCN4CCCC4)C2[C@H](c2ccccc2)C3)cc1 ZINC000064373151 563152785 /nfs/dbraw/zinc/15/27/85/563152785.db2.gz ZHZNBSBRTKPMGE-DXRBEWIESA-N 2 1 443.679 5.256 1 0 IKAFMP CC[C@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C[C@@H]1C[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000064512166 563154062 /nfs/dbraw/zinc/15/40/62/563154062.db2.gz BYHWAEAVIGYEBJ-OVWYZSLCSA-N 2 1 438.619 5.872 1 0 IKAFMP c1ccc2c(c1)CC[NH+](CCCCCCCCCCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000066111546 563158845 /nfs/dbraw/zinc/15/88/45/563158845.db2.gz NUISVTXFABNDON-UHFFFAOYSA-N 2 1 432.696 7.004 1 0 IKAFMP C[N@H+]1CCc2ccc([C@@H]3C[C@H]3c3ccc4cc(C(N)=[NH2+])ccc4c3)cc2[C@@H]1C1CCCCC1 ZINC000136012796 581095569 /nfs/dbraw/zinc/09/55/69/581095569.db2.gz XVWWDCXPGPSOQP-YCVJPRETSA-N 2 1 437.631 6.504 1 0 IKAFMP c1ccc2c(c1)C=C(c1ccc(C[NH+](C3CCCCC3)C3CCCCC3)cc1)N1CC[NH+]=C21 ZINC000013740222 563003028 /nfs/dbraw/zinc/00/30/28/563003028.db2.gz HBZLAMVCSTTXNG-UHFFFAOYSA-N 2 1 439.647 6.728 1 0 IKAFMP C[N@@H+](CCOC(c1ccccc1)c1ccccc1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000013803936 563008182 /nfs/dbraw/zinc/00/81/82/563008182.db2.gz SUFVPROIOBRYEK-UHFFFAOYSA-N 2 1 442.647 5.822 1 0 IKAFMP Fc1ccc(CC[N@H+]2CCC[C@@H](C[NH2+]CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803920 563008193 /nfs/dbraw/zinc/00/81/93/563008193.db2.gz WPCCYICQOQQNOQ-VWLOTQADSA-N 2 1 446.610 5.476 1 0 IKAFMP c1ccc(CCC[NH2+]C[C@H]2CCC[N@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803915 563008250 /nfs/dbraw/zinc/00/82/50/563008250.db2.gz FDTFUBJUWHYSGU-HHHXNRCGSA-N 2 1 442.647 5.727 1 0 IKAFMP c1ccc(CCC[NH2+]C[C@H]2CCC[N@@H+](CCOC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000013803915 563008251 /nfs/dbraw/zinc/00/82/51/563008251.db2.gz FDTFUBJUWHYSGU-HHHXNRCGSA-N 2 1 442.647 5.727 1 0 IKAFMP C[NH+](C)CCCCCCNc1cc(-c2ccc(N3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000028642021 563060403 /nfs/dbraw/zinc/06/04/03/563060403.db2.gz JIRSRWVZLJZXGS-UHFFFAOYSA-N 2 1 445.655 5.188 1 0 IKAFMP [NH3+]Cc1ccccc1C1(O)CC[NH+](C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000028817224 563064573 /nfs/dbraw/zinc/06/45/73/563064573.db2.gz ASFBQTPLOUDQLA-UHFFFAOYSA-N 2 1 441.402 5.525 1 0 IKAFMP CSc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1 ZINC000028827059 563066593 /nfs/dbraw/zinc/06/65/93/563066593.db2.gz ZJAKASJNDYDJES-RRPNLBNLSA-N 2 1 436.665 5.946 1 0 IKAFMP Clc1cccc([C@@H]2C[N@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)c1 ZINC000028885645 563068071 /nfs/dbraw/zinc/06/80/71/563068071.db2.gz VXDYSIRIWFJKDT-IZZNHLLZSA-N 2 1 425.016 5.877 1 0 IKAFMP CCC[N@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cccc2c1OCO2 ZINC000036474298 563095458 /nfs/dbraw/zinc/09/54/58/563095458.db2.gz DZQTYJUSPIYFEJ-UHFFFAOYSA-N 2 1 425.960 5.721 1 0 IKAFMP CCC[N@@H+](CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1cccc2c1OCO2 ZINC000036474298 563095460 /nfs/dbraw/zinc/09/54/60/563095460.db2.gz DZQTYJUSPIYFEJ-UHFFFAOYSA-N 2 1 425.960 5.721 1 0 IKAFMP Clc1ccc2c(NCCCCC[NH2+]CCC34CC5CC(CC(C5)C3)C4)cc[nH+]c2c1 ZINC000040894806 563110281 /nfs/dbraw/zinc/11/02/81/563110281.db2.gz WCZVTSRMGIGYOG-UHFFFAOYSA-N 2 1 426.048 6.667 1 0 IKAFMP C/C=C1\C[N@H+]2CC[C@H]3c4ccccc4N[C@@H]3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000042877935 563115832 /nfs/dbraw/zinc/11/58/32/563115832.db2.gz JBQRORTXNDQJOM-UFTXSBRCSA-N 2 1 436.603 5.522 1 0 IKAFMP Cc1ccc(O)cc1Nc1cc[nH+]c2ccc(-c3cccc(C[NH2+]CCN(C)C)c3)cc12 ZINC000045190903 563123592 /nfs/dbraw/zinc/12/35/92/563123592.db2.gz HARDXBKSYFHKCH-UHFFFAOYSA-N 2 1 426.564 5.311 1 0 IKAFMP CC[C@@H]1C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21 ZINC000045228294 563125593 /nfs/dbraw/zinc/12/55/93/563125593.db2.gz DDSRFAMOWJZKMB-RYTUXRKISA-N 2 1 436.603 6.030 1 0 IKAFMP Clc1ccc2c(NCCC[NH2+]CCN(c3ccccc3)c3ccccc3)cc[nH+]c2c1 ZINC000045298879 563128977 /nfs/dbraw/zinc/12/89/77/563128977.db2.gz GXQCQNPIOANXJM-UHFFFAOYSA-N 2 1 430.983 6.118 1 0 IKAFMP Cc1cccc2nc(-c3ccc(-c4ccc(C[NH2+]Cc5ccc(C[NH3+])cc5)cc4)s3)[nH]c21 ZINC000045315912 563129887 /nfs/dbraw/zinc/12/98/87/563129887.db2.gz GZZKOLZLNMZCCL-UHFFFAOYSA-N 2 1 438.600 6.015 1 0 IKAFMP COCC[NH2+]Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)c1 ZINC000045336531 563131518 /nfs/dbraw/zinc/13/15/18/563131518.db2.gz HKRBFNPYRDNJSQ-UHFFFAOYSA-N 2 1 435.930 6.174 1 0 IKAFMP Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000055211604 563142433 /nfs/dbraw/zinc/14/24/33/563142433.db2.gz CCQZQMGCZLOFGM-UHFFFAOYSA-N 2 1 447.583 5.074 3 0 IKAFMP C1=C\CCCC[N@H+]2CC[C@H]3[C@H]4C[C@@H](CCCC/1)C[NH+](C4)CCCC/C=C\CCCC[C@H]3C2 ZINC000064539600 563155058 /nfs/dbraw/zinc/15/50/58/563155058.db2.gz VDKGIMKVQUXITF-MYWASIGGSA-N 2 1 440.760 7.464 1 0 IKAFMP C1=C\CCCC[NH+]2CC[C@H]3[C@H]4C[C@@H](CCCC/1)C[N@H+](C4)CCCC/C=C\CCCC[C@H]3C2 ZINC000064539600 563155059 /nfs/dbraw/zinc/15/50/59/563155059.db2.gz VDKGIMKVQUXITF-MYWASIGGSA-N 2 1 440.760 7.464 1 0 IKAFMP C1=C\CCCC[NH+]2CC[C@H]3[C@H]4C[C@@H](CCCC/1)C[N@@H+](C4)CCCC/C=C\CCCC[C@H]3C2 ZINC000064539600 563155060 /nfs/dbraw/zinc/15/50/60/563155060.db2.gz VDKGIMKVQUXITF-MYWASIGGSA-N 2 1 440.760 7.464 1 0 IKAFMP C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000072119963 563163794 /nfs/dbraw/zinc/16/37/94/563163794.db2.gz MKYWAKVWSOIUCP-UHFFFAOYSA-N 2 1 436.386 6.786 1 0 IKAFMP C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(CNc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000072119963 563163795 /nfs/dbraw/zinc/16/37/95/563163795.db2.gz MKYWAKVWSOIUCP-UHFFFAOYSA-N 2 1 436.386 6.786 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCCC[C@H]1c3c(cccc3C(C)C)CC[N@@H+]1C)[NH+](C)CC2 ZINC000073129899 563168608 /nfs/dbraw/zinc/16/86/08/563168608.db2.gz VZJNCIRXNGARQY-ISILISOKSA-N 2 1 446.723 7.642 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCCC[C@H]1c3c(cccc3C(C)C)CC[NH+]1C)[N@H+](C)CC2 ZINC000073129899 563168609 /nfs/dbraw/zinc/16/86/09/563168609.db2.gz VZJNCIRXNGARQY-ISILISOKSA-N 2 1 446.723 7.642 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCCC[C@H]1c3c(cccc3C(C)C)CC[NH+]1C)[N@@H+](C)CC2 ZINC000073129899 563168610 /nfs/dbraw/zinc/16/86/10/563168610.db2.gz VZJNCIRXNGARQY-ISILISOKSA-N 2 1 446.723 7.642 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCC[C@H]1c3c(cccc3C(C)C)CC[N@@H+]1C)[NH+](C)CC2 ZINC000073129723 563168616 /nfs/dbraw/zinc/16/86/16/563168616.db2.gz GWNFJINTBFKROJ-HNRBIFIRSA-N 2 1 432.696 7.252 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCC[C@H]1c3c(cccc3C(C)C)CC[NH+]1C)[N@H+](C)CC2 ZINC000073129723 563168617 /nfs/dbraw/zinc/16/86/17/563168617.db2.gz GWNFJINTBFKROJ-HNRBIFIRSA-N 2 1 432.696 7.252 1 0 IKAFMP CC(C)c1cccc2c1[C@@H](CCCC[C@H]1c3c(cccc3C(C)C)CC[NH+]1C)[N@@H+](C)CC2 ZINC000073129723 563168618 /nfs/dbraw/zinc/16/86/18/563168618.db2.gz GWNFJINTBFKROJ-HNRBIFIRSA-N 2 1 432.696 7.252 1 0 IKAFMP C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[nH+]c5ccccc45)cc3)cc2)cc1 ZINC000096927676 563198210 /nfs/dbraw/zinc/19/82/10/563198210.db2.gz WZSTVTKJJDVFIG-UHFFFAOYSA-O 2 1 446.534 5.799 1 0 IKAFMP