smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)Cc1cccs1 ZINC000074626833 185003810 /nfs/dbraw/zinc/00/38/10/185003810.db2.gz YEWJXCMZLHDZAY-LSDHHAIUSA-N 1 1 323.506 2.910 50 0 DFAAMO c1cn(CC2CC2)c([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)n1 ZINC000095500115 185374568 /nfs/dbraw/zinc/37/45/68/185374568.db2.gz NOWJEZAEVPMBSZ-AWEZNQCLSA-N 1 1 322.416 2.948 50 0 DFAAMO c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3cnccn3)C2)[nH+]1 ZINC000095507972 185375800 /nfs/dbraw/zinc/37/58/00/185375800.db2.gz HWDMNWOLOLCUKX-MRXNPFEDSA-N 1 1 320.400 2.500 50 0 DFAAMO COc1ccc(C)c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000095512142 185376489 /nfs/dbraw/zinc/37/64/89/185376489.db2.gz OYTDQZVKBRPTKN-QGZVFWFLSA-N 1 1 303.406 2.563 50 0 DFAAMO c1cnn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181285570 199276075 /nfs/dbraw/zinc/27/60/75/199276075.db2.gz QYLVXSNUUIVSQQ-MRXNPFEDSA-N 1 1 322.416 2.548 50 0 DFAAMO COCCc1noc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000079097514 185158089 /nfs/dbraw/zinc/15/80/89/185158089.db2.gz PUAXNUHKYVXCKG-SFHVURJKSA-N 1 1 315.417 2.812 50 0 DFAAMO COCCc1noc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000079097514 185158090 /nfs/dbraw/zinc/15/80/90/185158090.db2.gz PUAXNUHKYVXCKG-SFHVURJKSA-N 1 1 315.417 2.812 50 0 DFAAMO Cc1c([C@H]2CCC[N@H+]2[C@@H]2CCc3ccccc3NC2=O)cnn1C ZINC000225400441 398348189 /nfs/dbraw/zinc/34/81/89/398348189.db2.gz VRNKJWKYKBEKAH-QZTJIDSGSA-N 1 1 324.428 2.819 50 0 DFAAMO COc1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc(C)n[nH]3)C2)c1 ZINC000229923648 398355684 /nfs/dbraw/zinc/35/56/84/398355684.db2.gz YYLOOJOQDBRRTR-CRAIPNDOSA-N 1 1 315.417 2.640 50 0 DFAAMO COc1cccc([C@H](O)C[N@@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 ZINC000229923648 398355686 /nfs/dbraw/zinc/35/56/86/398355686.db2.gz YYLOOJOQDBRRTR-CRAIPNDOSA-N 1 1 315.417 2.640 50 0 DFAAMO COc1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3cc(C)[nH]n3)C2)c1 ZINC000229923648 398355687 /nfs/dbraw/zinc/35/56/87/398355687.db2.gz YYLOOJOQDBRRTR-CRAIPNDOSA-N 1 1 315.417 2.640 50 0 DFAAMO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCC[S@@](C)=O ZINC000089984901 185274275 /nfs/dbraw/zinc/27/42/75/185274275.db2.gz SDLDBQWOLJHCJA-QFIPXVFZSA-N 1 1 320.414 2.510 50 0 DFAAMO Cc1[nH+]ccn1C[C@@H]1CCc2c(c3cccc(O)c3n2C)C1=O ZINC000044699633 282214757 /nfs/dbraw/zinc/21/47/57/282214757.db2.gz XVDKMEPUFIAQFH-LBPRGKRZSA-N 1 1 309.369 2.834 50 0 in-vitro DFAAMO CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCO1 ZINC000245279923 398381819 /nfs/dbraw/zinc/38/18/19/398381819.db2.gz JSMSKTGDGBUDMF-SJLPKXTDSA-N 1 1 307.434 2.837 50 0 DFAAMO COc1ccccc1CCC(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000082108420 192357067 /nfs/dbraw/zinc/35/70/67/192357067.db2.gz MEFMCVSVCPTJIE-HNNXBMFYSA-N 1 1 316.445 2.713 50 0 DFAAMO Cc1noc(C)c1CCCNC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000095390586 185351515 /nfs/dbraw/zinc/35/15/15/185351515.db2.gz UEXHCKLOFFDOQH-ZDUSSCGKSA-N 1 1 318.421 2.921 50 0 DFAAMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000095397389 185353371 /nfs/dbraw/zinc/35/33/71/185353371.db2.gz IKIQBMSQIDGKNP-ZYHUDNBSSA-N 1 1 319.380 2.786 50 0 DFAAMO [NH3+][C@@H](C(=O)N1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000095426333 185361781 /nfs/dbraw/zinc/36/17/81/185361781.db2.gz BEAUNPDQWMBZCV-GOSISDBHSA-N 1 1 322.408 2.808 50 0 DFAAMO O[C@@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CCc2ccncc2)C1 ZINC000095433960 185364068 /nfs/dbraw/zinc/36/40/68/185364068.db2.gz LLCJMEVKERMJSP-RHSMWYFYSA-N 1 1 304.340 2.710 50 0 DFAAMO COc1nc2ccccc2cc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000095449322 185368511 /nfs/dbraw/zinc/36/85/11/185368511.db2.gz JXIWLQOWJBGNQZ-UHFFFAOYSA-N 1 1 321.380 2.632 50 0 DFAAMO O=C([C@@H]1CC=CCC1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437786 185365440 /nfs/dbraw/zinc/36/54/40/185365440.db2.gz OMFBSULKBAWZTQ-CYBMUJFWSA-N 1 1 305.809 2.740 50 0 DFAAMO Cc1ccc(SCC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000097014473 185397210 /nfs/dbraw/zinc/39/72/10/185397210.db2.gz NDGRITSVRZFZGP-CVEARBPZSA-N 1 1 304.459 2.830 50 0 DFAAMO Cc1ccc(SCC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000097014473 185397211 /nfs/dbraw/zinc/39/72/11/185397211.db2.gz NDGRITSVRZFZGP-CVEARBPZSA-N 1 1 304.459 2.830 50 0 DFAAMO CC(C)[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H](C1)C2=O ZINC000019865846 398408578 /nfs/dbraw/zinc/40/85/78/398408578.db2.gz PLASYERLIISSFV-GASCZTMLSA-N 1 1 306.837 2.681 50 0 DFAAMO CC(C)[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3)C[C@@H](C1)C2=O ZINC000019865846 398408581 /nfs/dbraw/zinc/40/85/81/398408581.db2.gz PLASYERLIISSFV-GASCZTMLSA-N 1 1 306.837 2.681 50 0 DFAAMO CCn1nc(CNC(=O)C[N@@H+](C)C2CCCC2)c2ccccc21 ZINC000252488555 398419702 /nfs/dbraw/zinc/41/97/02/398419702.db2.gz IUPYAJRMECPCTE-UHFFFAOYSA-N 1 1 314.433 2.547 50 0 DFAAMO COc1cccc2cc(C[N@@H+]3CCCC4(C3)OCCO4)oc21 ZINC000097139081 185414317 /nfs/dbraw/zinc/41/43/17/185414317.db2.gz NQLLLLYIXRRWMB-UHFFFAOYSA-N 1 1 303.358 2.780 50 0 DFAAMO COc1cccc2cc(C[N@H+]3CCCC4(C3)OCCO4)oc21 ZINC000097139081 185414318 /nfs/dbraw/zinc/41/43/18/185414318.db2.gz NQLLLLYIXRRWMB-UHFFFAOYSA-N 1 1 303.358 2.780 50 0 DFAAMO CCNc1c(N)c[nH+]c2cc(F)c(Br)c(F)c21 ZINC000584882390 398425126 /nfs/dbraw/zinc/42/51/26/398425126.db2.gz FSQCKBKGWNSYQR-UHFFFAOYSA-N 1 1 302.122 2.711 50 0 DFAAMO Cc1[nH+]cn(CCNC(=O)c2ccccc2NC(C)C)c1C ZINC000584889009 398427321 /nfs/dbraw/zinc/42/73/21/398427321.db2.gz OFXSHPRBSKTZHB-UHFFFAOYSA-N 1 1 300.406 2.750 50 0 DFAAMO O=C(NCC[C@@H]1CCCC[N@H+]1C1CCCC1)[C@H]1CC[C@H](O)CC1 ZINC000584890272 398427543 /nfs/dbraw/zinc/42/75/43/398427543.db2.gz HVEVYDKHFATFDK-SZMVWBNQSA-N 1 1 322.493 2.841 50 0 DFAAMO C[N@H+]1CC[C@H](NC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000584891997 398428043 /nfs/dbraw/zinc/42/80/43/398428043.db2.gz VUMWPVNXDFVPQS-RDVIWEACSA-N 1 1 308.491 2.509 50 0 DFAAMO C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cn2cccc2)cc1 ZINC000584893369 398428587 /nfs/dbraw/zinc/42/85/87/398428587.db2.gz BWPAJRXNUYOCBE-SFHVURJKSA-N 1 1 311.429 2.751 50 0 DFAAMO CS[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000253370535 398422353 /nfs/dbraw/zinc/42/23/53/398422353.db2.gz SDJWHVCKGXCUJY-CBBWQLFWSA-N 1 1 313.511 2.642 50 0 DFAAMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@H]1CC=CCC1 ZINC000328642203 529955107 /nfs/dbraw/zinc/95/51/07/529955107.db2.gz YFXCASITFIPKTI-SZMVWBNQSA-N 1 1 313.445 2.889 50 0 DFAAMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000328616195 529954951 /nfs/dbraw/zinc/95/49/51/529954951.db2.gz BLHOQOHEUHCJIU-MLHJIOFPSA-N 1 1 313.445 2.579 50 0 DFAAMO Cc1cccc2nc(C[N@@H+](C)C[C@H]3CCc4nccn4C3)cn21 ZINC000328623602 398566100 /nfs/dbraw/zinc/56/61/00/398566100.db2.gz BYOCGFCOBPSTQY-OAHLLOKOSA-N 1 1 309.417 2.534 50 0 DFAAMO Cc1cccc2nc(C[N@@H+](C)C[C@@H]3CCc4nccn4C3)cn21 ZINC000328623601 398566114 /nfs/dbraw/zinc/56/61/14/398566114.db2.gz BYOCGFCOBPSTQY-HNNXBMFYSA-N 1 1 309.417 2.534 50 0 DFAAMO Cc1ccc(F)c(C(=O)N(C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000328643796 398568776 /nfs/dbraw/zinc/56/87/76/398568776.db2.gz YYAMIORGXIPVAH-ZDUSSCGKSA-N 1 1 301.365 2.665 50 0 DFAAMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCc2nccn2C1 ZINC000328651829 398568979 /nfs/dbraw/zinc/56/89/79/398568979.db2.gz WBDVBNIXVNDBJZ-ZDUSSCGKSA-N 1 1 301.438 2.598 50 0 DFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000069700022 398581066 /nfs/dbraw/zinc/58/10/66/398581066.db2.gz KTGQGJPYDAZYKC-ROUUACIJSA-N 1 1 324.428 2.571 50 0 DFAAMO OC[C@H]([NH2+]Cc1cccc2c1OC(F)(F)O2)c1ccsc1 ZINC000414428250 295799950 /nfs/dbraw/zinc/79/99/50/295799950.db2.gz GNGPWKXIWIRWHW-NSHDSACASA-N 1 1 313.325 2.893 50 0 DFAAMO c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000069969695 398591331 /nfs/dbraw/zinc/59/13/31/398591331.db2.gz XHFXMUTXIWUQRE-ZDUSSCGKSA-N 1 1 313.361 2.581 50 0 DFAAMO c1cnn(C[C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccco3)o2)c1 ZINC000069969695 398591335 /nfs/dbraw/zinc/59/13/35/398591335.db2.gz XHFXMUTXIWUQRE-ZDUSSCGKSA-N 1 1 313.361 2.581 50 0 DFAAMO CC(=O)Nc1ccc(-c2nccn2C[C@H]2CCCC[N@@H+]2C)cc1 ZINC000071747914 191020470 /nfs/dbraw/zinc/02/04/70/191020470.db2.gz DHTFOOIBPQXPLP-QGZVFWFLSA-N 1 1 312.417 2.993 50 0 DFAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)C2)nn1C(C)(C)C ZINC000070856388 398601078 /nfs/dbraw/zinc/60/10/78/398601078.db2.gz VSAIETLKJFHJIA-AWEZNQCLSA-N 1 1 320.481 2.974 50 0 DFAAMO Cc1c[nH+]c(N2CCO[C@@H](c3ccc(Cl)cc3)C2)nc1N ZINC000071751827 191023207 /nfs/dbraw/zinc/02/32/07/191023207.db2.gz DNHXMYCBHVGAPF-CYBMUJFWSA-N 1 1 304.781 2.599 50 0 DFAAMO Cc1cncc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c1 ZINC000071755207 191024721 /nfs/dbraw/zinc/02/47/21/191024721.db2.gz WTAMADLZJWGYBK-GOSISDBHSA-N 1 1 315.461 2.973 50 0 DFAAMO Cc1cccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071764564 191026947 /nfs/dbraw/zinc/02/69/47/191026947.db2.gz BRZMMICVWSLWBQ-SFHVURJKSA-N 1 1 315.461 2.973 50 0 DFAAMO OC[C@@]1(O)CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000072127414 191043308 /nfs/dbraw/zinc/04/33/08/191043308.db2.gz JZVDBPKXJWSTSX-OAQYLSRUSA-N 1 1 323.436 2.967 50 0 DFAAMO COCCC[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072126494 191043932 /nfs/dbraw/zinc/04/39/32/191043932.db2.gz YHMARUYPCOICEV-IPMKNSEASA-N 1 1 300.446 2.585 50 0 DFAAMO COc1ccc2cc(C[N@H+]3CCC[C@](O)(CO)CC3)ccc2c1 ZINC000072133751 191045551 /nfs/dbraw/zinc/04/55/51/191045551.db2.gz JLRUNYFYQWMVNN-LJQANCHMSA-N 1 1 315.413 2.558 50 0 DFAAMO CCc1c(C)sc2ncnc(NC[C@H]3COCC[N@@H+](C)C3)c12 ZINC000072144841 191050758 /nfs/dbraw/zinc/05/07/58/191050758.db2.gz RJJDQZWKAWPZNS-GFCCVEGCSA-N 1 1 320.462 2.552 50 0 DFAAMO COC(=O)CC[N@@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072158769 191060910 /nfs/dbraw/zinc/06/09/10/191060910.db2.gz HJYMXJYIHKVIJC-AWEZNQCLSA-N 1 1 305.353 2.792 50 0 DFAAMO COC(=O)CC[N@H+]1CCCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000072158769 191060911 /nfs/dbraw/zinc/06/09/11/191060911.db2.gz HJYMXJYIHKVIJC-AWEZNQCLSA-N 1 1 305.353 2.792 50 0 DFAAMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072162009 191062661 /nfs/dbraw/zinc/06/26/61/191062661.db2.gz YCQGLFWNEKGQRK-ZDUSSCGKSA-N 1 1 310.388 2.698 50 0 DFAAMO CCc1ccccc1OCC[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072163756 191064389 /nfs/dbraw/zinc/06/43/89/191064389.db2.gz FSDSOQCDYMCJJB-GOSISDBHSA-N 1 1 318.417 2.544 50 0 DFAAMO CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CCO ZINC000072275086 191097308 /nfs/dbraw/zinc/09/73/08/191097308.db2.gz ZIDHRWHPAGLXJV-AWEZNQCLSA-N 1 1 322.474 2.974 50 0 DFAAMO c1ccc(C2(c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)CC2)cc1 ZINC000225599498 186282420 /nfs/dbraw/zinc/28/24/20/186282420.db2.gz MPQZJXDGTGLSPJ-CABCVRRESA-N 1 1 311.385 2.685 50 0 DFAAMO c1ccc(C2(c3nc([C@@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CC2)cc1 ZINC000225599498 186282422 /nfs/dbraw/zinc/28/24/22/186282422.db2.gz MPQZJXDGTGLSPJ-CABCVRRESA-N 1 1 311.385 2.685 50 0 DFAAMO COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000225652182 186287372 /nfs/dbraw/zinc/28/73/72/186287372.db2.gz JSHAVBMTGFBTQV-HZPDHXFCSA-N 1 1 302.349 2.537 50 0 DFAAMO COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000225652182 186287373 /nfs/dbraw/zinc/28/73/73/186287373.db2.gz JSHAVBMTGFBTQV-HZPDHXFCSA-N 1 1 302.349 2.537 50 0 DFAAMO CC(C)C[N@@H+]1CCO[C@H](CNc2nc3cc(F)ccc3o2)C1 ZINC000172238095 198063031 /nfs/dbraw/zinc/06/30/31/198063031.db2.gz DZUKYPVVDIKFOH-CYBMUJFWSA-N 1 1 307.369 2.736 50 0 DFAAMO CC(C)C[N@H+]1CCO[C@H](CNc2nc3cc(F)ccc3o2)C1 ZINC000172238095 198063033 /nfs/dbraw/zinc/06/30/33/198063033.db2.gz DZUKYPVVDIKFOH-CYBMUJFWSA-N 1 1 307.369 2.736 50 0 DFAAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(c2ncccc2F)C1 ZINC000097227484 398665084 /nfs/dbraw/zinc/66/50/84/398665084.db2.gz IHKOAAHDSZOKGE-MRXNPFEDSA-N 1 1 314.408 2.964 50 0 DFAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)cn1 ZINC000072432908 191164814 /nfs/dbraw/zinc/16/48/14/191164814.db2.gz BIDZTSIHDCKDQY-SFHVURJKSA-N 1 1 311.429 2.927 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000072432600 191164936 /nfs/dbraw/zinc/16/49/36/191164936.db2.gz UHZBPFOBHGNVGS-KRWDZBQOSA-N 1 1 318.461 2.604 50 0 DFAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000072480610 191181724 /nfs/dbraw/zinc/18/17/24/191181724.db2.gz UKNFPVGQZAPQNA-MRXNPFEDSA-N 1 1 309.413 2.688 50 0 DFAAMO CCOCC[N@H+]1CCC[C@H](c2cc(N3CCCC3)nc(C)n2)C1 ZINC000072479857 191180720 /nfs/dbraw/zinc/18/07/20/191180720.db2.gz XDFBQKIMJCGKEN-INIZCTEOSA-N 1 1 318.465 2.601 50 0 DFAAMO CC[C@](C)([NH2+]Cc1cccc(C(=O)NC)c1)c1nccs1 ZINC000072684313 191214196 /nfs/dbraw/zinc/21/41/96/191214196.db2.gz AAPFURLPCHAPDK-INIZCTEOSA-N 1 1 303.431 2.918 50 0 DFAAMO CCOC(=O)c1c2c(sc1NC(=O)C[NH+](C)C)C[C@H](C)CC2 ZINC000003348745 181009802 /nfs/dbraw/zinc/00/98/02/181009802.db2.gz GXTYIFXXSIFTDV-SNVBAGLBSA-N 1 1 324.446 2.550 50 0 DFAAMO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000004181594 181082622 /nfs/dbraw/zinc/08/26/22/181082622.db2.gz MLPVBTRSXSOQKB-XJKSGUPXSA-N 1 1 316.401 2.592 50 0 DFAAMO COc1ccc([C@@H](CO)[N@@H+](C)C[C@H](O)c2cccc(F)c2)cc1 ZINC000110591031 398721684 /nfs/dbraw/zinc/72/16/84/398721684.db2.gz JQMOQVIVTBVXAD-MSOLQXFVSA-N 1 1 319.376 2.533 50 0 DFAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1ccccc1F ZINC000004525508 181120198 /nfs/dbraw/zinc/12/01/98/181120198.db2.gz PSJCCHVQRDMXKK-UHFFFAOYSA-N 1 1 316.376 2.649 50 0 DFAAMO Cc1c2nsnc2ccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000004487998 181113455 /nfs/dbraw/zinc/11/34/55/181113455.db2.gz QROWVZGJWNTOKO-JTQLQIEISA-N 1 1 304.419 2.670 50 0 DFAAMO O=C([C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)N1CCCC1 ZINC000004745294 181146993 /nfs/dbraw/zinc/14/69/93/181146993.db2.gz OBVGQRLVMQMAII-GOSISDBHSA-N 1 1 300.446 2.954 50 0 DFAAMO O=c1c(C[N@H+]2CCCC[C@@H]2CO)coc2ccc(Cl)cc12 ZINC000004988851 181185825 /nfs/dbraw/zinc/18/58/25/181185825.db2.gz DXEHFWPVJUYHEG-CYBMUJFWSA-N 1 1 307.777 2.793 50 0 DFAAMO O=c1c(C[N@@H+]2CCCC[C@@H]2CO)coc2ccc(Cl)cc12 ZINC000004988851 181185826 /nfs/dbraw/zinc/18/58/26/181185826.db2.gz DXEHFWPVJUYHEG-CYBMUJFWSA-N 1 1 307.777 2.793 50 0 DFAAMO C[C@H]1C[N@@H+](CCCCc2ccccc2)C[C@@H]1N1CCOCC1 ZINC000187141212 200067623 /nfs/dbraw/zinc/06/76/23/200067623.db2.gz ROJNVHIYULXJOP-HKUYNNGSSA-N 1 1 302.462 2.662 50 0 DFAAMO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1csc(C[NH3+])n1 ZINC000237578146 202290856 /nfs/dbraw/zinc/29/08/56/202290856.db2.gz RPJLJUXCABPRJT-ZYHUDNBSSA-N 1 1 319.405 2.759 50 0 DFAAMO O=C(Cc1ccsc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193778995 201121008 /nfs/dbraw/zinc/12/10/08/201121008.db2.gz UIBGPKZBWCSOBB-QGZVFWFLSA-N 1 1 314.454 2.929 50 0 DFAAMO Clc1ccsc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000194377233 201213909 /nfs/dbraw/zinc/21/39/09/201213909.db2.gz UIQNMHRUESBYEO-CYBMUJFWSA-N 1 1 314.882 2.946 50 0 DFAAMO Clc1ccsc1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194377233 201213912 /nfs/dbraw/zinc/21/39/12/201213912.db2.gz UIQNMHRUESBYEO-CYBMUJFWSA-N 1 1 314.882 2.946 50 0 DFAAMO CNC(=O)c1cc[nH]c1[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000169789395 399000940 /nfs/dbraw/zinc/00/09/40/399000940.db2.gz WHSGSMUMDYUSSO-CYBMUJFWSA-N 1 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COC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093813801 193311932 /nfs/dbraw/zinc/31/19/32/193311932.db2.gz LPCVUQQIOYIKNY-KRWDZBQOSA-N 1 1 317.364 2.601 50 0 DFAAMO c1cnc(Oc2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc2)cn1 ZINC000093820698 193313622 /nfs/dbraw/zinc/31/36/22/193313622.db2.gz BEQLBVUVTRLPDB-SFHVURJKSA-N 1 1 311.385 2.881 50 0 DFAAMO CC(C)n1cc[nH+]c1[C@@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095374749 193437132 /nfs/dbraw/zinc/43/71/32/193437132.db2.gz JHAWHJYYVFDEEQ-GFCCVEGCSA-N 1 1 306.435 2.797 50 0 DFAAMO O=C(c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016580759 182050951 /nfs/dbraw/zinc/05/09/51/182050951.db2.gz NAKVWTKVPMQYRC-UHFFFAOYSA-N 1 1 312.388 2.826 50 0 DFAAMO CC[NH+]1CCN(C(=O)C(C)(C)Oc2ccccc2Cl)CC1 ZINC000016604432 182052403 /nfs/dbraw/zinc/05/24/03/182052403.db2.gz HLBKYLIYWDRFGF-UHFFFAOYSA-N 1 1 310.825 2.662 50 0 DFAAMO Cc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000016605300 182053395 /nfs/dbraw/zinc/05/33/95/182053395.db2.gz GIYCJIYPHWRIGZ-UHFFFAOYSA-N 1 1 308.425 2.996 50 0 DFAAMO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019564589 182129815 /nfs/dbraw/zinc/12/98/15/182129815.db2.gz IQMWMHQVTQGBIF-UHFFFAOYSA-N 1 1 310.397 2.653 50 0 DFAAMO OCC[C@@H]1CN(Cc2ccccn2)CC[N@H+]1CC1CCCCC1 ZINC000019836904 182155007 /nfs/dbraw/zinc/15/50/07/182155007.db2.gz BGOPVXDJRRYMRM-LJQANCHMSA-N 1 1 317.477 2.531 50 0 DFAAMO CCN1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000019888835 182160733 /nfs/dbraw/zinc/16/07/33/182160733.db2.gz JNSTXZPEGHDLFX-UHFFFAOYSA-N 1 1 301.478 2.597 50 0 DFAAMO COc1ccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019889880 182160882 /nfs/dbraw/zinc/16/08/82/182160882.db2.gz FISVOPPNAGRPSW-HOTGVXAUSA-N 1 1 318.461 2.769 50 0 DFAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020223490 182198415 /nfs/dbraw/zinc/19/84/15/182198415.db2.gz YRMAWOLLCQPOQK-ZDUSSCGKSA-N 1 1 310.756 2.597 50 0 DFAAMO Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000020538662 182228910 /nfs/dbraw/zinc/22/89/10/182228910.db2.gz 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ZINC000022027985 182304790 /nfs/dbraw/zinc/30/47/90/182304790.db2.gz QRAVFDCRVNTLGI-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccccc3F)cc2)CC1 ZINC000022027931 182304837 /nfs/dbraw/zinc/30/48/37/182304837.db2.gz RBZLYAXXZSSPEJ-UHFFFAOYSA-N 1 1 312.388 2.804 50 0 DFAAMO COc1ccc(Br)cc1CN1CCC[N@@H+](C)CC1 ZINC000022045102 182306192 /nfs/dbraw/zinc/30/61/92/182306192.db2.gz BGHUVDUFYUNZIO-UHFFFAOYSA-N 1 1 313.239 2.595 50 0 DFAAMO Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc12 ZINC000022108272 182309319 /nfs/dbraw/zinc/30/93/19/182309319.db2.gz GTRYSWUJJBHTQB-UHFFFAOYSA-N 1 1 312.413 2.600 50 0 DFAAMO C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(C)CC1 ZINC000022357260 182319510 /nfs/dbraw/zinc/31/95/10/182319510.db2.gz HSLPLEOIEUNMME-ZDUSSCGKSA-N 1 1 312.421 2.990 50 0 DFAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(C)CC1 ZINC000022357262 182319530 /nfs/dbraw/zinc/31/95/30/182319530.db2.gz HSLPLEOIEUNMME-CYBMUJFWSA-N 1 1 312.421 2.990 50 0 DFAAMO COc1ccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc1C ZINC000022853332 182337305 /nfs/dbraw/zinc/33/73/05/182337305.db2.gz VDMHZFPADMSRMU-GOSISDBHSA-N 1 1 320.477 2.528 50 0 DFAAMO OCC[C@H]1CN(Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000022932750 182342376 /nfs/dbraw/zinc/34/23/76/182342376.db2.gz VVYGVCYMRWOJMO-KRWDZBQOSA-N 1 1 316.470 2.817 50 0 DFAAMO OCC[C@H]1C[N@H+](Cc2cccs2)CCN1Cc1ccccc1 ZINC000022932750 182342379 /nfs/dbraw/zinc/34/23/79/182342379.db2.gz VVYGVCYMRWOJMO-KRWDZBQOSA-N 1 1 316.470 2.817 50 0 DFAAMO OCC[C@H]1C[N@@H+](Cc2cccs2)CCN1Cc1ccccc1 ZINC000022932750 182342382 /nfs/dbraw/zinc/34/23/82/182342382.db2.gz VVYGVCYMRWOJMO-KRWDZBQOSA-N 1 1 316.470 2.817 50 0 DFAAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000023107779 182347658 /nfs/dbraw/zinc/34/76/58/182347658.db2.gz DKQFZASUWMJNDT-AWEZNQCLSA-N 1 1 324.471 2.638 50 0 DFAAMO OCC[C@H]1CN(Cc2ccsc2)CC[N@@H+]1Cc1cccs1 ZINC000023359692 182358102 /nfs/dbraw/zinc/35/81/02/182358102.db2.gz QHKWVJIWDHEBFV-HNNXBMFYSA-N 1 1 322.499 2.878 50 0 DFAAMO OCC[C@H]1CN(Cc2ccsc2)CC[N@H+]1Cc1cccs1 ZINC000023359692 182358104 /nfs/dbraw/zinc/35/81/04/182358104.db2.gz QHKWVJIWDHEBFV-HNNXBMFYSA-N 1 1 322.499 2.878 50 0 DFAAMO NC(=O)C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000023751742 182368421 /nfs/dbraw/zinc/36/84/21/182368421.db2.gz XRHUDXCLKGACPD-UHFFFAOYSA-N 1 1 319.405 2.647 50 0 DFAAMO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000040007759 183027440 /nfs/dbraw/zinc/02/74/40/183027440.db2.gz CKSUTLPMWXPHGQ-QZTJIDSGSA-N 1 1 318.461 2.653 50 0 DFAAMO Cc1ccc(C)c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000039387955 183018587 /nfs/dbraw/zinc/01/85/87/183018587.db2.gz SVZDQLMLWVLCLF-LJQANCHMSA-N 1 1 304.478 2.828 50 0 DFAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000040460211 183070009 /nfs/dbraw/zinc/07/00/09/183070009.db2.gz JXMGLACAYDSBMT-HNNXBMFYSA-N 1 1 323.824 2.669 50 0 DFAAMO COc1cc(CNCC[NH+](C)C)cc(Cl)c1OC(C)C ZINC000040719615 183123432 /nfs/dbraw/zinc/12/34/32/183123432.db2.gz 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C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1noc2ccccc12 ZINC000008352012 425667016 /nfs/dbraw/zinc/66/70/16/425667016.db2.gz UPARCQSYLONZOF-AWEZNQCLSA-N 1 1 315.417 2.751 50 0 DFAAMO COC(=O)c1ccc(C[C@@H](C(=O)c2ccccc2)[NH+](C)C)cc1 ZINC000003282773 425614873 /nfs/dbraw/zinc/61/48/73/425614873.db2.gz ZJULAQNTCWXSFT-KRWDZBQOSA-N 1 1 311.381 2.829 50 0 DFAAMO CCOc1ccc2oc(C(=O)N3CCC[N@@H+](C)CC3)c(C)c2c1 ZINC000003310176 425615099 /nfs/dbraw/zinc/61/50/99/425615099.db2.gz CFTBWRFLKIDRBF-UHFFFAOYSA-N 1 1 316.401 2.918 50 0 DFAAMO O=C1OC2(CCCCC2)OC(=O)C1[C@@H]1[NH2+]CCc2ccccc21 ZINC000005348604 425624077 /nfs/dbraw/zinc/62/40/77/425624077.db2.gz XGGGHWHZQTZTRR-OAHLLOKOSA-N 1 1 315.369 2.877 50 0 DFAAMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000007334686 425640433 /nfs/dbraw/zinc/64/04/33/425640433.db2.gz AANRRKQIDFDKBZ-OAHLLOKOSA-N 1 1 324.424 2.758 50 0 DFAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000007334686 425640437 /nfs/dbraw/zinc/64/04/37/425640437.db2.gz AANRRKQIDFDKBZ-OAHLLOKOSA-N 1 1 324.424 2.758 50 0 DFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000012773319 425736641 /nfs/dbraw/zinc/73/66/41/425736641.db2.gz GXMKXPQWGHDIKV-GOEBONIOSA-N 1 1 322.424 2.831 50 0 DFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000012773319 425736646 /nfs/dbraw/zinc/73/66/46/425736646.db2.gz GXMKXPQWGHDIKV-GOEBONIOSA-N 1 1 322.424 2.831 50 0 DFAAMO C[N@@H+]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000012799935 425739425 /nfs/dbraw/zinc/73/94/25/425739425.db2.gz DEZGLHWVTXSTSM-MRXNPFEDSA-N 1 1 324.380 2.544 50 0 DFAAMO C[N@H+]1CCN(C(=O)c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000012799935 425739427 /nfs/dbraw/zinc/73/94/27/425739427.db2.gz DEZGLHWVTXSTSM-MRXNPFEDSA-N 1 1 324.380 2.544 50 0 DFAAMO COc1cccc(C[N@@H+](C)C[C@H](O)COc2ccc(C)cc2)c1 ZINC000012855319 425741189 /nfs/dbraw/zinc/74/11/89/425741189.db2.gz FQTSNNKIVAQLQA-KRWDZBQOSA-N 1 1 315.413 2.875 50 0 DFAAMO Cc1ccc2nc(C[N@H+](C)Cc3ccccc3C)cc(=O)n2c1 ZINC000009377506 425688222 /nfs/dbraw/zinc/68/82/22/425688222.db2.gz GQKWDDOJHNIFDA-UHFFFAOYSA-N 1 1 307.397 2.943 50 0 DFAAMO Cc1ccc([C@@H](CNS(=O)(=O)c2cccs2)[NH+](C)C)cc1 ZINC000010335052 425702505 /nfs/dbraw/zinc/70/25/05/425702505.db2.gz FOOFOGQZWXEPSD-CQSZACIVSA-N 1 1 324.471 2.638 50 0 DFAAMO CC[C@H](C)C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011787798 425713404 /nfs/dbraw/zinc/71/34/04/425713404.db2.gz BPMLAZWJCGUKHY-INIZCTEOSA-N 1 1 312.461 2.968 50 0 DFAAMO CC(C)Nc1ccc(C(=O)NCC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000011879964 425714610 /nfs/dbraw/zinc/71/46/10/425714610.db2.gz LVVXHTHSXSPDLC-HNNXBMFYSA-N 1 1 304.438 2.506 50 0 DFAAMO Cc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccncc3)CC2)c(C)c1 ZINC000012191427 425722459 /nfs/dbraw/zinc/72/24/59/425722459.db2.gz XUICHVYEUMXBAJ-UHFFFAOYSA-N 1 1 323.440 2.933 50 0 DFAAMO C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CCOCC1 ZINC000012386384 425725420 /nfs/dbraw/zinc/72/54/20/425725420.db2.gz HJOOBEFXFAZJNR-UHFFFAOYSA-N 1 1 319.380 2.658 50 0 DFAAMO C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1CCOCC1 ZINC000012386384 425725425 /nfs/dbraw/zinc/72/54/25/425725425.db2.gz HJOOBEFXFAZJNR-UHFFFAOYSA-N 1 1 319.380 2.658 50 0 DFAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(C)=O ZINC000012431075 425728248 /nfs/dbraw/zinc/72/82/48/425728248.db2.gz ITFFBBYLGLPWSV-KRWDZBQOSA-N 1 1 306.425 2.949 50 0 DFAAMO O=C(C[NH2+]Cc1ccccn1)Nc1cccc(C(F)(F)F)c1 ZINC000012547079 425731112 /nfs/dbraw/zinc/73/11/12/425731112.db2.gz FDROXFSOKVPYTJ-UHFFFAOYSA-N 1 1 309.291 2.829 50 0 DFAAMO CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012577868 425731166 /nfs/dbraw/zinc/73/11/66/425731166.db2.gz JLVCBZAOZZHNMQ-QGZVFWFLSA-N 1 1 318.461 2.818 50 0 DFAAMO COc1ccc(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1OC ZINC000015021666 425777826 /nfs/dbraw/zinc/77/78/26/425777826.db2.gz ZLUSDZFWNVWMLV-IKGGRYGDSA-N 1 1 319.445 2.872 50 0 DFAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](C)C3)n2)cc1OC ZINC000015256921 425781920 /nfs/dbraw/zinc/78/19/20/425781920.db2.gz 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/nfs/dbraw/zinc/31/60/03/426316003.db2.gz XVKAEHGVTPFZJP-QGZVFWFLSA-N 1 1 304.478 2.786 50 0 DFAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000089894287 426316617 /nfs/dbraw/zinc/31/66/17/426316617.db2.gz IAQMOAQPFYHTKR-UKRRQHHQSA-N 1 1 322.453 2.545 50 0 DFAAMO C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287359 /nfs/dbraw/zinc/28/73/59/426287359.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 1 1 313.445 2.645 50 0 DFAAMO CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287360 /nfs/dbraw/zinc/28/73/60/426287360.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 1 1 313.445 2.645 50 0 DFAAMO CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000089361390 426287363 /nfs/dbraw/zinc/28/73/63/426287363.db2.gz APISCBGGXRRKCK-PKOBYXMFSA-N 1 1 313.445 2.645 50 0 DFAAMO O=C([C@H]1CCC[N@H+](C2CCCC2)C1)N1CCc2ncccc2C1 ZINC000095353172 426366771 /nfs/dbraw/zinc/36/67/71/426366771.db2.gz LYLAPVUYOUNLKK-INIZCTEOSA-N 1 1 313.445 2.621 50 0 DFAAMO C[N@H+]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000095349988 426367327 /nfs/dbraw/zinc/36/73/27/426367327.db2.gz QRDWRBDJDDHGRJ-UHFFFAOYSA-N 1 1 315.442 2.512 50 0 DFAAMO CC(C)n1cc[nH+]c1[C@@H]1CCCN(c2cncc(N(C)C)n2)C1 ZINC000095362270 426367762 /nfs/dbraw/zinc/36/77/62/426367762.db2.gz LPMKXRQLMOTTNL-CQSZACIVSA-N 1 1 314.437 2.704 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)NCCCC(C)(C)CO)[NH+](C)C ZINC000095362575 426368542 /nfs/dbraw/zinc/36/85/42/426368542.db2.gz FQSQUCPCCBFEMU-MRXNPFEDSA-N 1 1 306.450 2.513 50 0 DFAAMO CN(Cc1noc2c1CCCC2)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000095360131 426368548 /nfs/dbraw/zinc/36/85/48/426368548.db2.gz OOMFRNBFSQKBML-AWEZNQCLSA-N 1 1 319.449 2.634 50 0 DFAAMO Cc1cc(C)c2c(ncnc2N2CCC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000095378775 426369747 /nfs/dbraw/zinc/36/97/47/426369747.db2.gz WDFZORVIFVLNMU-SFHVURJKSA-N 1 1 311.433 2.564 50 0 DFAAMO CCc1ccc(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)nc1 ZINC000095383486 426370393 /nfs/dbraw/zinc/37/03/93/426370393.db2.gz 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426383109 /nfs/dbraw/zinc/38/31/09/426383109.db2.gz LRANPBAGKDBPDV-OCCSQVGLSA-N 1 1 319.430 2.814 50 0 DFAAMO COC(=O)c1sccc1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000095981730 426383111 /nfs/dbraw/zinc/38/31/11/426383111.db2.gz LRANPBAGKDBPDV-OCCSQVGLSA-N 1 1 319.430 2.814 50 0 DFAAMO CCc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000095982327 426383260 /nfs/dbraw/zinc/38/32/60/426383260.db2.gz RUUSECGIJYWGBN-GFCCVEGCSA-N 1 1 322.430 2.682 50 0 DFAAMO C[C@]1(CO)CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000095986724 426383680 /nfs/dbraw/zinc/38/36/80/426383680.db2.gz CAPIWIPPFKHMAY-INIZCTEOSA-N 1 1 305.447 2.868 50 0 DFAAMO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000095985425 426383737 /nfs/dbraw/zinc/38/37/37/426383737.db2.gz PNWHKVQURDBQCS-QWHCGFSZSA-N 1 1 308.397 2.743 50 0 DFAAMO C[N@H+](CCO)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000095986521 426384453 /nfs/dbraw/zinc/38/44/53/426384453.db2.gz YKKZIDMZINESHU-AWEZNQCLSA-N 1 1 302.443 2.840 50 0 DFAAMO C[N@@H+](CCO)Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000095986521 426384455 /nfs/dbraw/zinc/38/44/55/426384455.db2.gz YKKZIDMZINESHU-AWEZNQCLSA-N 1 1 302.443 2.840 50 0 DFAAMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000095999957 426386287 /nfs/dbraw/zinc/38/62/87/426386287.db2.gz GGSAAWLIXXFJHY-MRXNPFEDSA-N 1 1 312.417 2.790 50 0 DFAAMO CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)c2nc(C)cs2)C1 ZINC000096013847 426388259 /nfs/dbraw/zinc/38/82/59/426388259.db2.gz NZHWTHDFAIRJHE-TZMCWYRMSA-N 1 1 324.494 2.586 50 0 DFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123020438 426408946 /nfs/dbraw/zinc/40/89/46/426408946.db2.gz SPACOTWQHZLIAH-GOSISDBHSA-N 1 1 312.417 2.987 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000096405526 426414623 /nfs/dbraw/zinc/41/46/23/426414623.db2.gz IXCQKNWKBMLBEN-QGZVFWFLSA-N 1 1 313.376 2.674 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000096405526 426414626 /nfs/dbraw/zinc/41/46/26/426414626.db2.gz 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426425081 /nfs/dbraw/zinc/42/50/81/426425081.db2.gz UTYXVVQOVSJWHL-SFHVURJKSA-N 1 1 321.380 2.560 50 0 DFAAMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000096447077 426428367 /nfs/dbraw/zinc/42/83/67/426428367.db2.gz KHIQDOQGLIEOJI-UHFFFAOYSA-N 1 1 313.401 2.511 50 0 DFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(SC)cc2)C1 ZINC000096453064 426429065 /nfs/dbraw/zinc/42/90/65/426429065.db2.gz XYSJDEPTPJDCST-OAHLLOKOSA-N 1 1 321.490 2.892 50 0 DFAAMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1 ZINC000096455483 426430521 /nfs/dbraw/zinc/43/05/21/426430521.db2.gz CVGSGNCYLSJMFK-CQSZACIVSA-N 1 1 322.836 2.935 50 0 DFAAMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c(Cl)c1 ZINC000096455483 426430525 /nfs/dbraw/zinc/43/05/25/426430525.db2.gz CVGSGNCYLSJMFK-CQSZACIVSA-N 1 1 322.836 2.935 50 0 DFAAMO C[C@@H]1C[C@H](NC(=O)c2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000096466342 426431463 /nfs/dbraw/zinc/43/14/63/426431463.db2.gz SOXLRACLNPOLBL-HIFRSBDPSA-N 1 1 313.376 2.614 50 0 DFAAMO 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317.477 2.857 50 0 DFAAMO Cc1cnccc1CN(C)CC1([NH+]2CCOCC2)CCCCC1 ZINC000244773959 426727208 /nfs/dbraw/zinc/72/72/08/426727208.db2.gz PJKFBLPHANDESI-UHFFFAOYSA-N 1 1 317.477 2.857 50 0 DFAAMO COC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000244774059 426727438 /nfs/dbraw/zinc/72/74/38/426727438.db2.gz PNEVSMZWDBSBCS-KRWDZBQOSA-N 1 1 302.418 2.615 50 0 DFAAMO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000244741985 426727668 /nfs/dbraw/zinc/72/76/68/426727668.db2.gz OABZZCQVKCQHOH-AWEZNQCLSA-N 1 1 320.824 2.659 50 0 DFAAMO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000244741985 426727671 /nfs/dbraw/zinc/72/76/71/426727671.db2.gz OABZZCQVKCQHOH-AWEZNQCLSA-N 1 1 320.824 2.659 50 0 DFAAMO CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000244741985 426727673 /nfs/dbraw/zinc/72/76/73/426727673.db2.gz OABZZCQVKCQHOH-AWEZNQCLSA-N 1 1 320.824 2.659 50 0 DFAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244894044 426731120 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ZINC000043751790 274172190 /nfs/dbraw/zinc/17/21/90/274172190.db2.gz XBIONWKSVQVOIT-GOSISDBHSA-N 1 1 315.438 2.679 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccccc3)o2)C[C@H]1C(N)=O ZINC000408473885 428668909 /nfs/dbraw/zinc/66/89/09/428668909.db2.gz PDYROTNWHMTLSI-IUODEOHRSA-N 1 1 300.358 2.625 50 0 DFAAMO c1nc(C2CC[NH+](CCCOCc3ccccc3)CC2)n[nH]1 ZINC000374912410 428784307 /nfs/dbraw/zinc/78/43/07/428784307.db2.gz OEMPLIMQXYAKIW-UHFFFAOYSA-N 1 1 300.406 2.591 50 0 DFAAMO O=C(c1cc(-c2ccccc2)no1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839755 275010466 /nfs/dbraw/zinc/01/04/66/275010466.db2.gz FQLXHFYSRFYHIH-HNNXBMFYSA-N 1 1 311.385 2.652 50 0 DFAAMO O=C(c1cc(-c2ccccc2)no1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839755 275010467 /nfs/dbraw/zinc/01/04/67/275010467.db2.gz FQLXHFYSRFYHIH-HNNXBMFYSA-N 1 1 311.385 2.652 50 0 DFAAMO C(C1CCC2(CC1)OCCO2)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000253432406 275389709 /nfs/dbraw/zinc/38/97/09/275389709.db2.gz YOZHKGCYXCHGAP-QGZVFWFLSA-N 1 1 309.450 2.668 50 0 DFAAMO CN(Cc1ccccc1Cl)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426734290 429412366 /nfs/dbraw/zinc/41/23/66/429412366.db2.gz LKUBKAVJNSSOEW-GFCCVEGCSA-N 1 1 318.808 2.853 50 0 DFAAMO CCC[N@H+]1CCc2c(sc3nc4n(c(=O)c23)CCCCC4)C1 ZINC000020827267 276014005 /nfs/dbraw/zinc/01/40/05/276014005.db2.gz XCIBAYHXRMMVMP-UHFFFAOYSA-N 1 1 317.458 2.953 50 0 DFAAMO COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccon2)cc1 ZINC000583615537 430411715 /nfs/dbraw/zinc/41/17/15/430411715.db2.gz FTILHLKQUDQVQL-IRXDYDNUSA-N 1 1 302.374 2.555 50 0 DFAAMO COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2CCOC(C)C)cc1 ZINC000583615532 430411794 /nfs/dbraw/zinc/41/17/94/430411794.db2.gz FGQDJDOSLGLPTJ-QZTJIDSGSA-N 1 1 307.434 2.792 50 0 DFAAMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000583619723 430411417 /nfs/dbraw/zinc/41/14/17/430411417.db2.gz UXOQIIYMVNPCRU-HRCADAONSA-N 1 1 306.406 2.568 50 0 DFAAMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cnoc1C1CC1 ZINC000583619723 430411421 /nfs/dbraw/zinc/41/14/21/430411421.db2.gz 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Cc1ccccc1[C@@H](C(=O)N(C)Cc1cccc(O)c1)[NH+](C)C ZINC000095512268 185376453 /nfs/dbraw/zinc/37/64/53/185376453.db2.gz XAVYPKJFJMHELN-SFHVURJKSA-N 1 1 312.413 2.962 50 0 DFAAMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCc1ccncc1 ZINC000076651388 185029120 /nfs/dbraw/zinc/02/91/20/185029120.db2.gz FNUIQDSNFNCWAL-KRWDZBQOSA-N 1 1 323.440 2.747 50 0 DFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ccncc1 ZINC000076651388 185029127 /nfs/dbraw/zinc/02/91/27/185029127.db2.gz FNUIQDSNFNCWAL-KRWDZBQOSA-N 1 1 323.440 2.747 50 0 DFAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC(OCc3ccccc3)C2)C1 ZINC000095519845 185377176 /nfs/dbraw/zinc/37/71/76/185377176.db2.gz AMHFULSVMRVMCM-QGZVFWFLSA-N 1 1 316.445 2.534 50 0 DFAAMO Cc1ccccc1[C@@H](C(=O)NCCSC(F)(F)F)[NH+](C)C ZINC000095530648 185378722 /nfs/dbraw/zinc/37/87/22/185378722.db2.gz QNLWRJUAERZVCP-LBPRGKRZSA-N 1 1 320.380 2.967 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)NCCSC(F)(F)F)[NH+](C)C ZINC000095530649 185378840 /nfs/dbraw/zinc/37/88/40/185378840.db2.gz QNLWRJUAERZVCP-GFCCVEGCSA-N 1 1 320.380 2.967 50 0 DFAAMO Cn1c2c(nc1[C@H]1CCC[N@@H+]1CCOCC1CC1)CCCC2 ZINC000328634664 231271836 /nfs/dbraw/zinc/27/18/36/231271836.db2.gz MWHWDANLJKCRPU-QGZVFWFLSA-N 1 1 303.450 2.862 50 0 DFAAMO Cn1c2c(nc1[C@H]1CCC[N@H+]1CCOCC1CC1)CCCC2 ZINC000328634664 231271842 /nfs/dbraw/zinc/27/18/42/231271842.db2.gz MWHWDANLJKCRPU-QGZVFWFLSA-N 1 1 303.450 2.862 50 0 DFAAMO CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000225476945 398349170 /nfs/dbraw/zinc/34/91/70/398349170.db2.gz UHWXYXOAEXTLEB-KRWDZBQOSA-N 1 1 311.429 2.891 50 0 DFAAMO CC(C)=CC[N@@H+]1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000230495407 398356308 /nfs/dbraw/zinc/35/63/08/398356308.db2.gz MJXSVUBMDTVAHU-LJQANCHMSA-N 1 1 311.429 2.941 50 0 DFAAMO CC(C)=CC[N@H+]1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000230495407 398356313 /nfs/dbraw/zinc/35/63/13/398356313.db2.gz MJXSVUBMDTVAHU-LJQANCHMSA-N 1 1 311.429 2.941 50 0 DFAAMO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCC[S@](C)=O ZINC000089984900 185274585 /nfs/dbraw/zinc/27/45/85/185274585.db2.gz SDLDBQWOLJHCJA-JOCHJYFZSA-N 1 1 320.414 2.510 50 0 DFAAMO COC[C@@H]1CCC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245316732 398381731 /nfs/dbraw/zinc/38/17/31/398381731.db2.gz KLBJOHLFUNLXSZ-HUUCEWRRSA-N 1 1 312.454 2.602 50 0 DFAAMO CCC[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1NC(C)=O ZINC000082098537 192355469 /nfs/dbraw/zinc/35/54/69/192355469.db2.gz NMWFNDXVZDDHND-VQIMIIECSA-N 1 1 311.429 2.971 50 0 DFAAMO C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC=CCC2)Cc2ccccc2O1 ZINC000011838827 398385002 /nfs/dbraw/zinc/38/50/02/398385002.db2.gz JCKOOLDYQMEZTC-HOTGVXAUSA-N 1 1 314.429 2.742 50 0 DFAAMO C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC=CCC2)Cc2ccccc2O1 ZINC000011838827 398385004 /nfs/dbraw/zinc/38/50/04/398385004.db2.gz JCKOOLDYQMEZTC-HOTGVXAUSA-N 1 1 314.429 2.742 50 0 DFAAMO C[NH+](C)[C@H](C(=O)N1CCC2(CCCO2)CC1)c1cccc(F)c1 ZINC000095379907 282231374 /nfs/dbraw/zinc/23/13/74/282231374.db2.gz TTZXERNFTCUCOG-INIZCTEOSA-N 1 1 320.408 2.600 50 0 DFAAMO COc1cccc(C2=CC[N@H+](CC(=O)N[C@@H](C)C3CC3)CC2)c1 ZINC000095389977 185351323 /nfs/dbraw/zinc/35/13/23/185351323.db2.gz SFFGTDLSWJBXDU-AWEZNQCLSA-N 1 1 314.429 2.699 50 0 DFAAMO COc1cccc(C2=CC[N@@H+](CC(=O)N[C@@H](C)C3CC3)CC2)c1 ZINC000095389977 185351324 /nfs/dbraw/zinc/35/13/24/185351324.db2.gz SFFGTDLSWJBXDU-AWEZNQCLSA-N 1 1 314.429 2.699 50 0 DFAAMO CCCCSc1nc(N2CC(c3cccnc3)C2)cc(N)[nH+]1 ZINC000095392045 185352011 /nfs/dbraw/zinc/35/20/11/185352011.db2.gz IUMNXNXECZPWOF-UHFFFAOYSA-N 1 1 315.446 2.950 50 0 DFAAMO CCCCSc1nc(N)cc(N2CC(c3cccnc3)C2)[nH+]1 ZINC000095392045 185352012 /nfs/dbraw/zinc/35/20/12/185352012.db2.gz IUMNXNXECZPWOF-UHFFFAOYSA-N 1 1 315.446 2.950 50 0 DFAAMO CCC(CC)[C@@H](C(=O)NCc1cccc(C)c1)[NH+]1CCOCC1 ZINC000095401799 185354470 /nfs/dbraw/zinc/35/44/70/185354470.db2.gz RAZGKXJUXBLFER-SFHVURJKSA-N 1 1 318.461 2.748 50 0 DFAAMO CN1CCN(C[C@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433965 185364143 /nfs/dbraw/zinc/36/41/43/185364143.db2.gz 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185370631 /nfs/dbraw/zinc/37/06/31/185370631.db2.gz QQTAUBBFOWBMBW-OKILXGFUSA-N 1 1 321.442 2.803 50 0 DFAAMO Cc1cc([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)no1 ZINC000252488424 398419718 /nfs/dbraw/zinc/41/97/18/398419718.db2.gz IRQKJNQWDPOADF-MRXNPFEDSA-N 1 1 314.389 2.934 50 0 DFAAMO Cc1cc([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccnc2)no1 ZINC000252488424 398419721 /nfs/dbraw/zinc/41/97/21/398419721.db2.gz IRQKJNQWDPOADF-MRXNPFEDSA-N 1 1 314.389 2.934 50 0 DFAAMO CCc1c(C)sc2ncn([C@H](C)c3[nH]cc(C)[nH+]3)c(=O)c21 ZINC000584887776 398425999 /nfs/dbraw/zinc/42/59/99/398425999.db2.gz RWGZVOMVNGRRQI-SECBINFHSA-N 1 1 302.403 2.970 50 0 DFAAMO Cc1[nH+]ccn1CCn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000584887333 398426288 /nfs/dbraw/zinc/42/62/88/398426288.db2.gz CDKXHWNCPCTNPC-UHFFFAOYSA-N 1 1 322.290 2.620 50 0 DFAAMO CC[N@H+]1CC[C@H](NC(=O)N(C)CCSc2ccccc2)C1 ZINC000584901233 398430928 /nfs/dbraw/zinc/43/09/28/398430928.db2.gz IBCSLFFQWRIKOM-AWEZNQCLSA-N 1 1 307.463 2.514 50 0 DFAAMO CC(C)(C)c1ccc(CC[N@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000225514158 201724523 /nfs/dbraw/zinc/72/45/23/201724523.db2.gz VMPMHKZXDVFARB-UHFFFAOYSA-N 1 1 303.450 2.613 50 0 DFAAMO CCc1cccc(NC(=O)C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000266529426 398442346 /nfs/dbraw/zinc/44/23/46/398442346.db2.gz FKZKLFFYCCCLIN-UHFFFAOYSA-N 1 1 302.418 2.690 50 0 DFAAMO CCc1nnc([C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000089289812 398446984 /nfs/dbraw/zinc/44/69/84/398446984.db2.gz LNFOGTPUJVYHDK-CVEARBPZSA-N 1 1 312.417 2.818 50 0 DFAAMO CCc1nnc([C@@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000089289812 398446985 /nfs/dbraw/zinc/44/69/85/398446985.db2.gz LNFOGTPUJVYHDK-CVEARBPZSA-N 1 1 312.417 2.818 50 0 DFAAMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C[C@H]1C=CCC1 ZINC000328630084 529955045 /nfs/dbraw/zinc/95/50/45/529955045.db2.gz PNGYLLAFYDWQNF-IEZWGBDMSA-N 1 1 313.445 2.889 50 0 DFAAMO Brc1ccccc1N1CC[C@H]([NH2+]Cc2cocn2)C1 ZINC000236579295 201927560 /nfs/dbraw/zinc/92/75/60/201927560.db2.gz GGMYREHVTYXTIB-NSHDSACASA-N 1 1 322.206 2.806 50 0 DFAAMO CCCC[N@@H+](C)CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000039931900 398560473 /nfs/dbraw/zinc/56/04/73/398560473.db2.gz MJMSKVMUKPOPDG-UHFFFAOYSA-N 1 1 311.429 2.816 50 0 DFAAMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCCc2cccc(F)c2)C1 ZINC000328631900 398567594 /nfs/dbraw/zinc/56/75/94/398567594.db2.gz RNWSQZXEJADARY-HZPDHXFCSA-N 1 1 319.380 2.912 50 0 DFAAMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCc2cccc(F)c2)C1 ZINC000328631900 398567599 /nfs/dbraw/zinc/56/75/99/398567599.db2.gz RNWSQZXEJADARY-HZPDHXFCSA-N 1 1 319.380 2.912 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000069969758 398590792 /nfs/dbraw/zinc/59/07/92/398590792.db2.gz GXPCKFFOILRFRK-QGZVFWFLSA-N 1 1 309.417 2.894 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000069969758 398590795 /nfs/dbraw/zinc/59/07/95/398590795.db2.gz GXPCKFFOILRFRK-QGZVFWFLSA-N 1 1 309.417 2.894 50 0 DFAAMO CC(C)[C@@H]1CN(C(=O)c2n[nH]cc2Cl)CCC[N@H+]1CC1CC1 ZINC000071753506 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CC[C@H]1CN(Cc2n[nH]c3cc(OC)ccc32)CC[N@H+]1C(C)C ZINC000072147957 191054685 /nfs/dbraw/zinc/05/46/85/191054685.db2.gz SYRYJXSPMOEYHU-AWEZNQCLSA-N 1 1 316.449 2.876 50 0 DFAAMO CC[C@H]1CN(Cc2[nH]nc3cc(OC)ccc32)CC[N@@H+]1C(C)C ZINC000072147957 191054687 /nfs/dbraw/zinc/05/46/87/191054687.db2.gz SYRYJXSPMOEYHU-AWEZNQCLSA-N 1 1 316.449 2.876 50 0 DFAAMO CC[C@H]1CN(Cc2[nH]nc3cc(OC)ccc32)CC[N@H+]1C(C)C ZINC000072147957 191054689 /nfs/dbraw/zinc/05/46/89/191054689.db2.gz SYRYJXSPMOEYHU-AWEZNQCLSA-N 1 1 316.449 2.876 50 0 DFAAMO Cc1cccnc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072149265 191054833 /nfs/dbraw/zinc/05/48/33/191054833.db2.gz PQOCXEYNPJACPD-UHFFFAOYSA-N 1 1 323.400 2.695 50 0 DFAAMO Cc1cccc([C@@H](C(=O)N2CC(c3ccccn3)C2)[NH+](C)C)c1 ZINC000072152807 191057453 /nfs/dbraw/zinc/05/74/53/191057453.db2.gz XJTODMMMBWDIOH-SFHVURJKSA-N 1 1 309.413 2.619 50 0 DFAAMO Cc1nc2c(c(N(C)Cc3csc(C(C)C)n3)n1)C[NH2+]C2 ZINC000072158439 191060813 /nfs/dbraw/zinc/06/08/13/191060813.db2.gz 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ZINC000072294596 191110315 /nfs/dbraw/zinc/11/03/15/191110315.db2.gz GAEYTIBJBBFJDD-SJLPKXTDSA-N 1 1 318.461 2.828 50 0 DFAAMO CC(C)CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000072294596 191110318 /nfs/dbraw/zinc/11/03/18/191110318.db2.gz GAEYTIBJBBFJDD-SJLPKXTDSA-N 1 1 318.461 2.828 50 0 DFAAMO c1ccc(C2(c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000225599528 186281982 /nfs/dbraw/zinc/28/19/82/186281982.db2.gz MPQZJXDGTGLSPJ-LSDHHAIUSA-N 1 1 311.385 2.685 50 0 DFAAMO c1ccc(C2(c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000225599528 186281983 /nfs/dbraw/zinc/28/19/83/186281983.db2.gz MPQZJXDGTGLSPJ-LSDHHAIUSA-N 1 1 311.385 2.685 50 0 DFAAMO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000225652197 186287398 /nfs/dbraw/zinc/28/73/98/186287398.db2.gz JSHAVBMTGFBTQV-JKSUJKDBSA-N 1 1 302.349 2.537 50 0 DFAAMO COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cn1 ZINC000225652197 186287400 /nfs/dbraw/zinc/28/74/00/186287400.db2.gz JSHAVBMTGFBTQV-JKSUJKDBSA-N 1 1 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CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1 ZINC000016580741 182051258 /nfs/dbraw/zinc/05/12/58/182051258.db2.gz OWOCSXVXYVESHJ-OAHLLOKOSA-N 1 1 304.434 2.741 50 0 DFAAMO Cc1ncsc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000019227908 182109052 /nfs/dbraw/zinc/10/90/52/182109052.db2.gz ZRXXTMAALLQCQZ-LBPRGKRZSA-N 1 1 305.403 2.611 50 0 DFAAMO c1ccc(Cc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000019372812 182121146 /nfs/dbraw/zinc/12/11/46/182121146.db2.gz HCVXPECGMMSMNT-UHFFFAOYSA-N 1 1 321.424 2.959 50 0 DFAAMO O=C(Cc1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019309163 182114171 /nfs/dbraw/zinc/11/41/71/182114171.db2.gz LLPOJMZAXQGFCR-UHFFFAOYSA-N 1 1 300.427 2.635 50 0 DFAAMO COc1cccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000019773909 182145707 /nfs/dbraw/zinc/14/57/07/182145707.db2.gz YAMPREAWDPGKIF-UHFFFAOYSA-N 1 1 324.424 2.962 50 0 DFAAMO C[N@H+]1CCN(Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CCO ZINC000019774312 182146216 /nfs/dbraw/zinc/14/62/16/182146216.db2.gz QAPFBWKILPGQHG-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CCO ZINC000019774312 182146218 /nfs/dbraw/zinc/14/62/18/182146218.db2.gz QAPFBWKILPGQHG-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C[C@@H]1CCO ZINC000019774312 182146220 /nfs/dbraw/zinc/14/62/20/182146220.db2.gz QAPFBWKILPGQHG-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO Oc1ccccc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019842158 182155721 /nfs/dbraw/zinc/15/57/21/182155721.db2.gz HLHBICLVLHZTPL-UHFFFAOYSA-N 1 1 312.438 2.886 50 0 DFAAMO Cc1ncoc1C(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000019840650 182155750 /nfs/dbraw/zinc/15/57/50/182155750.db2.gz DJLPNKXYHHDCGW-CQSZACIVSA-N 1 1 302.378 2.573 50 0 DFAAMO OCC[C@H]1CN(Cc2cccc(F)c2F)CC[N@H+]1C1CCCC1 ZINC000019842126 182156014 /nfs/dbraw/zinc/15/60/14/182156014.db2.gz QTUNXCLSNCQLLM-INIZCTEOSA-N 1 1 324.415 2.776 50 0 DFAAMO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000019795675 182151069 /nfs/dbraw/zinc/15/10/69/182151069.db2.gz JOZNYWDUWPEPOS-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/24/11/83/182241183.db2.gz AAJZBRATEADHQX-ZIAGYGMSSA-N 1 1 321.417 2.776 50 0 DFAAMO OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@H+]1C1CCCC1 ZINC000020775624 182246881 /nfs/dbraw/zinc/24/68/81/182246881.db2.gz UPXPNMTZVFXYLK-GOSISDBHSA-N 1 1 324.415 2.776 50 0 DFAAMO CCCOc1ccc(Br)cc1CNCC[NH+](C)C ZINC000020967839 182256593 /nfs/dbraw/zinc/25/65/93/182256593.db2.gz IFLWBRIDSLZYTL-UHFFFAOYSA-N 1 1 315.255 2.889 50 0 DFAAMO COc1cccc(CN(C)C(=O)CC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000020998461 182258147 /nfs/dbraw/zinc/25/81/47/182258147.db2.gz MWAXQNPJIFVOMG-OAHLLOKOSA-N 1 1 304.434 2.776 50 0 DFAAMO CC(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907803 182339723 /nfs/dbraw/zinc/33/97/23/182339723.db2.gz FTGJCGZMPPASEM-MRXNPFEDSA-N 1 1 300.427 2.984 50 0 DFAAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000022925785 182341404 /nfs/dbraw/zinc/34/14/04/182341404.db2.gz JSUPOKLFINQOIQ-SFHVURJKSA-N 1 1 318.461 2.506 50 0 DFAAMO c1ccc(C[N@H+]2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)nc1 ZINC000065314278 399242176 /nfs/dbraw/zinc/24/21/76/399242176.db2.gz YKBBQCQUDOOFGQ-HNNXBMFYSA-N 1 1 320.400 2.641 50 0 DFAAMO c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)nc1 ZINC000065314278 399242181 /nfs/dbraw/zinc/24/21/81/399242181.db2.gz YKBBQCQUDOOFGQ-HNNXBMFYSA-N 1 1 320.400 2.641 50 0 DFAAMO c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccnc4)[nH]3)C2)nc1 ZINC000065314278 399242182 /nfs/dbraw/zinc/24/21/82/399242182.db2.gz YKBBQCQUDOOFGQ-HNNXBMFYSA-N 1 1 320.400 2.641 50 0 DFAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000023282691 182355649 /nfs/dbraw/zinc/35/56/49/182355649.db2.gz UQEPFXPWPQAKSE-HOCLYGCPSA-N 1 1 305.418 2.901 50 0 DFAAMO Cc1cccc2nc(C[N@@H+]3CCc4ccccc4C3)cc(=O)n12 ZINC000023640239 182365495 /nfs/dbraw/zinc/36/54/95/182365495.db2.gz AZDCDWFGUFZFAT-UHFFFAOYSA-N 1 1 305.381 2.561 50 0 DFAAMO Cc1cccc2nc(C[N@H+]3CCc4ccccc4C3)cc(=O)n12 ZINC000023640239 182365497 /nfs/dbraw/zinc/36/54/97/182365497.db2.gz AZDCDWFGUFZFAT-UHFFFAOYSA-N 1 1 305.381 2.561 50 0 DFAAMO NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000025033279 182399768 /nfs/dbraw/zinc/39/97/68/182399768.db2.gz RWCVXWZMONOCCV-UHFFFAOYSA-N 1 1 309.822 2.614 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2cccs2)oc1C ZINC000040107257 183036236 /nfs/dbraw/zinc/03/62/36/183036236.db2.gz KAUDWPGCCXSANV-LBPRGKRZSA-N 1 1 319.430 2.926 50 0 DFAAMO CC(C)c1noc(CN2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000040513783 183088224 /nfs/dbraw/zinc/08/82/24/183088224.db2.gz QIOFVTZZVLAOBZ-UHFFFAOYSA-N 1 1 320.462 2.962 50 0 DFAAMO C[N@H+]1CCCC[C@H]1CCn1cnc2c(Cl)cccc2c1=O ZINC000043005154 183327112 /nfs/dbraw/zinc/32/71/12/183327112.db2.gz APXDOHVPQXQXSV-LBPRGKRZSA-N 1 1 305.809 2.924 50 0 DFAAMO CC(C)C[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104493406 194011372 /nfs/dbraw/zinc/01/13/72/194011372.db2.gz WLYIVWHDQLBFND-QGZVFWFLSA-N 1 1 316.445 2.957 50 0 DFAAMO CCn1ccnc1[C@@H]([NH2+]Cc1cnccc1C)C1CCOCC1 ZINC000284851467 218206093 /nfs/dbraw/zinc/20/60/93/218206093.db2.gz XKKSJWMPXINAGG-KRWDZBQOSA-N 1 1 314.433 2.864 50 0 DFAAMO COCC1(NC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CCCC1 ZINC000095368678 284827565 /nfs/dbraw/zinc/82/75/65/284827565.db2.gz HBSATGYLWZTBOD-OAHLLOKOSA-N 1 1 308.397 2.504 50 0 DFAAMO CCc1noc(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052921075 183879990 /nfs/dbraw/zinc/87/99/90/183879990.db2.gz LTZWVAPIHKKFAK-HNNXBMFYSA-N 1 1 313.401 2.550 50 0 DFAAMO C[C@H](C(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000110691468 194350773 /nfs/dbraw/zinc/35/07/73/194350773.db2.gz CZCGGTKTGZMLPJ-OUAUKWLOSA-N 1 1 318.343 2.645 50 0 DFAAMO COC(=O)[C@@H]([NH3+])CSc1cc(C)nc2ccc(Cl)cc21 ZINC000057312162 184032884 /nfs/dbraw/zinc/03/28/84/184032884.db2.gz VNSNOGUMHXMVER-NSHDSACASA-N 1 1 310.806 2.789 50 0 DFAAMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2cccnc2)cc1 ZINC000057554981 184042108 /nfs/dbraw/zinc/04/21/08/184042108.db2.gz XUOBAJFSIBFUCR-HNNXBMFYSA-N 1 1 323.396 2.840 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCOc1ccccc1C ZINC000058087617 184073922 /nfs/dbraw/zinc/07/39/22/184073922.db2.gz XLRKTSUBWYFWQU-INIZCTEOSA-N 1 1 304.434 2.755 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccccc2F)C[C@H](C)O1 ZINC000058216034 184089312 /nfs/dbraw/zinc/08/93/12/184089312.db2.gz LMZXRVNJDLHLQK-ZNMIVQPWSA-N 1 1 320.408 2.540 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccccc2F)C[C@H](C)O1 ZINC000058216034 184089313 /nfs/dbraw/zinc/08/93/13/184089313.db2.gz LMZXRVNJDLHLQK-ZNMIVQPWSA-N 1 1 320.408 2.540 50 0 DFAAMO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000058313361 184104239 /nfs/dbraw/zinc/10/42/39/184104239.db2.gz XVWMLFLENRBNQU-GWCFXTLKSA-N 1 1 307.369 2.890 50 0 DFAAMO CCO[C@H](CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000058406122 184113599 /nfs/dbraw/zinc/11/35/99/184113599.db2.gz DAFFJQWDWVPFBU-MRXNPFEDSA-N 1 1 319.380 2.751 50 0 DFAAMO CC(C)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000058405618 184113654 /nfs/dbraw/zinc/11/36/54/184113654.db2.gz IWVJNXAFOYAESU-HNNXBMFYSA-N 1 1 310.463 2.571 50 0 DFAAMO CCCn1cnnc1[C@@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000065287936 184322423 /nfs/dbraw/zinc/32/24/23/184322423.db2.gz OFZSIHWFGKLZRD-CYBMUJFWSA-N 1 1 305.451 2.833 50 0 DFAAMO O=C(C1CCCCC1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000065288802 184323082 /nfs/dbraw/zinc/32/30/82/184323082.db2.gz UUDXAPKFIJPXBO-KRWDZBQOSA-N 1 1 308.466 2.670 50 0 DFAAMO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=O)C2CCCCC2)CC1 ZINC000065288769 184323287 /nfs/dbraw/zinc/32/32/87/184323287.db2.gz SYNFIEDYAOMHPD-SFHVURJKSA-N 1 1 321.509 2.585 50 0 DFAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1cccc2c1OCO2)C1CC1 ZINC000065395758 184335046 /nfs/dbraw/zinc/33/50/46/184335046.db2.gz VWEXKCIUEYHZNK-UHFFFAOYSA-N 1 1 313.401 2.930 50 0 DFAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1cccc2c1OCO2)C1CC1 ZINC000065395758 184335047 /nfs/dbraw/zinc/33/50/47/184335047.db2.gz VWEXKCIUEYHZNK-UHFFFAOYSA-N 1 1 313.401 2.930 50 0 DFAAMO CCCc1nc(N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc(C)[nH+]1 ZINC000065407976 184339610 /nfs/dbraw/zinc/33/96/10/184339610.db2.gz TVZVNYIMRPLDFJ-AWEZNQCLSA-N 1 1 318.465 2.821 50 0 DFAAMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065410958 184340075 /nfs/dbraw/zinc/34/00/75/184340075.db2.gz PSXOXAIPUNISQS-LBPRGKRZSA-N 1 1 311.389 2.570 50 0 DFAAMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065410958 184340078 /nfs/dbraw/zinc/34/00/78/184340078.db2.gz PSXOXAIPUNISQS-LBPRGKRZSA-N 1 1 311.389 2.570 50 0 DFAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](CCc2ccccn2)C1 ZINC000065455110 184347734 /nfs/dbraw/zinc/34/77/34/184347734.db2.gz KITUYJIRQWSDDP-LJQANCHMSA-N 1 1 313.445 2.657 50 0 DFAAMO CCOc1ncnc2c1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000065466716 184350203 /nfs/dbraw/zinc/35/02/03/184350203.db2.gz AKQWTCRWLGUJJN-UHFFFAOYSA-N 1 1 320.396 2.982 50 0 DFAAMO CCOc1ncnc2c1C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000065466716 184350204 /nfs/dbraw/zinc/35/02/04/184350204.db2.gz AKQWTCRWLGUJJN-UHFFFAOYSA-N 1 1 320.396 2.982 50 0 DFAAMO Cc1ccc(CCNC(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)o1 ZINC000065399225 184336400 /nfs/dbraw/zinc/33/64/00/184336400.db2.gz KKZORPPASLMOBT-MRXNPFEDSA-N 1 1 304.365 2.689 50 0 DFAAMO Cn1cc(C[N@@H+](Cc2cccc(-n3cccn3)c2)C2CC2)cn1 ZINC000065526970 184359716 /nfs/dbraw/zinc/35/97/16/184359716.db2.gz GVBJGMIFCOCJFL-UHFFFAOYSA-N 1 1 307.401 2.770 50 0 DFAAMO CC[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2C)C1 ZINC000065530827 184361296 /nfs/dbraw/zinc/36/12/96/184361296.db2.gz UHAGFNCJVFGQPD-GOSISDBHSA-N 1 1 320.433 2.569 50 0 DFAAMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000065608944 184372546 /nfs/dbraw/zinc/37/25/46/184372546.db2.gz JGTLQOLDDRHSNA-HZPDHXFCSA-N 1 1 324.852 2.528 50 0 DFAAMO CNC(=O)C[C@@H](C)[N@@H+](C)CC1=Cc2cc(Cl)ccc2OC1 ZINC000065499655 184355502 /nfs/dbraw/zinc/35/55/02/184355502.db2.gz JYVGNLJGENLOOY-LLVKDONJSA-N 1 1 308.809 2.572 50 0 DFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)CSCc2ccncc2)C1 ZINC000065626030 184375484 /nfs/dbraw/zinc/37/54/84/184375484.db2.gz DULARYSQNVXLRS-INIZCTEOSA-N 1 1 321.490 2.551 50 0 DFAAMO Cc1ccc(C[NH+]2CCC(CN(C)Cc3nccn3C)CC2)o1 ZINC000012300879 542421001 /nfs/dbraw/zinc/42/10/01/542421001.db2.gz HPOOGCYSZPLBJT-UHFFFAOYSA-N 1 1 316.449 2.666 50 0 DFAAMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012249853 542419619 /nfs/dbraw/zinc/41/96/19/542419619.db2.gz TZFGXOGXSRKYOI-JKIFEVAISA-N 1 1 320.433 2.648 50 0 DFAAMO CC[N@@H+](Cc1noc(-c2cccc(C)c2)n1)C[C@@H]1CCOC1 ZINC000052072061 542446391 /nfs/dbraw/zinc/44/63/91/542446391.db2.gz RCGZLLHBDOHUHG-AWEZNQCLSA-N 1 1 301.390 2.903 50 0 DFAAMO CC[N@H+](Cc1noc(-c2cccc(C)c2)n1)C[C@@H]1CCOC1 ZINC000052072061 542446395 /nfs/dbraw/zinc/44/63/95/542446395.db2.gz RCGZLLHBDOHUHG-AWEZNQCLSA-N 1 1 301.390 2.903 50 0 DFAAMO Cc1nc2ccc(CC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2[nH]1 ZINC000067723306 542458602 /nfs/dbraw/zinc/45/86/02/542458602.db2.gz LPMSMAREKRIVNH-CQSZACIVSA-N 1 1 323.400 2.543 50 0 DFAAMO CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000055051862 542452871 /nfs/dbraw/zinc/45/28/71/542452871.db2.gz RQOHHXHILZMNLH-GDBMZVCRSA-N 1 1 322.474 2.669 50 0 DFAAMO CC(C)[N@H+]1CCC[C@H](CCNC(=O)c2ccc3[nH]cnc3c2)C1 ZINC000067727290 542459950 /nfs/dbraw/zinc/45/99/50/542459950.db2.gz IFFGRKLNPWMNSJ-CQSZACIVSA-N 1 1 314.433 2.803 50 0 DFAAMO Cc1cc2[nH]c(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cc2c(C)c1 ZINC000095995453 256549638 /nfs/dbraw/zinc/54/96/38/256549638.db2.gz SDNDDLHSOPLSIE-KBXCAEBGSA-N 1 1 311.429 2.951 50 0 DFAAMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514290097 257215236 /nfs/dbraw/zinc/21/52/36/257215236.db2.gz ZGXDKSUCPPGVLM-YQQAZPJKSA-N 1 1 324.490 2.797 50 0 biogenic,in-vitro DFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]2CCSC2)C1 ZINC000333223090 257237188 /nfs/dbraw/zinc/23/71/88/257237188.db2.gz SHMOZLBRMSPEBF-KBPBESRZSA-N 1 1 322.478 2.545 50 0 DFAAMO CO[C@]12CC[N@@H+](Cc3ccccc3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426612995 257244909 /nfs/dbraw/zinc/24/49/09/257244909.db2.gz VEMOTBZEHAYVJF-GBESFXJTSA-N 1 1 319.445 2.516 50 0 DFAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1cc(Cl)c[nH]1 ZINC000426647317 257245011 /nfs/dbraw/zinc/24/50/11/257245011.db2.gz PPAQVDNSPQKQRB-UHFFFAOYSA-N 1 1 303.793 2.886 50 0 DFAAMO CN(CCCSc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000426612237 257245114 /nfs/dbraw/zinc/24/51/14/257245114.db2.gz DLKBAMOZFJGASC-OAHLLOKOSA-N 1 1 321.490 2.762 50 0 DFAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NC1(c2cc(F)ccc2F)CC1 ZINC000426545483 257247116 /nfs/dbraw/zinc/24/71/16/257247116.db2.gz UQVMAKWTMSBVQI-SNVBAGLBSA-N 1 1 305.328 2.836 50 0 DFAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cnccc3Cl)[C@H]2C1 ZINC000426475433 257249204 /nfs/dbraw/zinc/24/92/04/257249204.db2.gz MZLRDFAZMXCCOX-CWRNSKLLSA-N 1 1 310.825 2.893 50 0 DFAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccn(CCO)n3)C2)s1 ZINC000426374113 257253485 /nfs/dbraw/zinc/25/34/85/257253485.db2.gz CCQNAENDFYGJKK-AWEZNQCLSA-N 1 1 305.447 2.625 50 0 DFAAMO CCOCC[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000408521387 257254987 /nfs/dbraw/zinc/25/49/87/257254987.db2.gz RSYDEAMSNYYPDT-AWEZNQCLSA-N 1 1 300.443 2.602 50 0 DFAAMO CCC[N@H+](Cc1nc(C(=O)OC)co1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000408519489 257255283 /nfs/dbraw/zinc/25/52/83/257255283.db2.gz GVZGYEMOFXMCCH-KGLIPLIRSA-N 1 1 324.421 2.877 50 0 DFAAMO CCC[N@@H+](Cc1nc(C(=O)OC)co1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000408519489 257255284 /nfs/dbraw/zinc/25/52/84/257255284.db2.gz GVZGYEMOFXMCCH-KGLIPLIRSA-N 1 1 324.421 2.877 50 0 DFAAMO Cc1cccc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1C ZINC000408517266 257255510 /nfs/dbraw/zinc/25/55/10/257255510.db2.gz FEAJXZDWEFVIBB-HNNXBMFYSA-N 1 1 316.445 2.629 50 0 DFAAMO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](c2ccsc2)C[C@H]1C ZINC000240555823 257259467 /nfs/dbraw/zinc/25/94/67/257259467.db2.gz GXLQJQVHDLMNBC-BZPMIXESSA-N 1 1 316.430 2.743 50 0 DFAAMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](c2ccsc2)C[C@H]1C ZINC000240555823 257259469 /nfs/dbraw/zinc/25/94/69/257259469.db2.gz GXLQJQVHDLMNBC-BZPMIXESSA-N 1 1 316.430 2.743 50 0 DFAAMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)ccc1O ZINC000071762966 257270503 /nfs/dbraw/zinc/27/05/03/257270503.db2.gz LGLABTZYLVTDCF-LBPRGKRZSA-N 1 1 300.358 2.767 50 0 DFAAMO CCc1nnc(CN[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000096500908 542557397 /nfs/dbraw/zinc/55/73/97/542557397.db2.gz GTDZFGREFITWSQ-GFCCVEGCSA-N 1 1 311.389 2.977 50 0 DFAAMO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000071824916 184856163 /nfs/dbraw/zinc/85/61/63/184856163.db2.gz KTKLZSNNHRQYAH-SFHVURJKSA-N 1 1 310.397 2.756 50 0 DFAAMO CCn1cc(CN2CCC[N@@H+](Cc3ccsc3)CC2)cn1 ZINC000121648841 195324269 /nfs/dbraw/zinc/32/42/69/195324269.db2.gz CAVPSPWKKNSKOH-UHFFFAOYSA-N 1 1 304.463 2.672 50 0 DFAAMO C[N@@H+](CCN1CCCCC1=O)Cc1ccc2cc(O)ccc2c1 ZINC000215777610 542872896 /nfs/dbraw/zinc/87/28/96/542872896.db2.gz XITOPAWEVUEDGH-UHFFFAOYSA-N 1 1 312.413 2.990 50 0 DFAAMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3nsnc3c2)cn1 ZINC000215835288 542873594 /nfs/dbraw/zinc/87/35/94/542873594.db2.gz BBGFNOFYIFGETH-UHFFFAOYSA-N 1 1 313.430 2.784 50 0 DFAAMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000222290641 542883732 /nfs/dbraw/zinc/88/37/32/542883732.db2.gz UWBAVIXUAHTHRX-PKOBYXMFSA-N 1 1 323.440 2.776 50 0 DFAAMO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000065288799 292051441 /nfs/dbraw/zinc/05/14/41/292051441.db2.gz WWBDQJBCLGSNQB-GOSISDBHSA-N 1 1 316.445 2.712 50 0 DFAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]2c2ccsc2)C1=O ZINC000052804260 425885703 /nfs/dbraw/zinc/88/57/03/425885703.db2.gz WTIGRINEYXYGNW-CYBMUJFWSA-N 1 1 321.446 2.606 50 0 DFAAMO CCc1noc(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052921073 425886171 /nfs/dbraw/zinc/88/61/71/425886171.db2.gz LTZWVAPIHKKFAK-OAHLLOKOSA-N 1 1 313.401 2.550 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000052954636 425886410 /nfs/dbraw/zinc/88/64/10/425886410.db2.gz MOEBGISZVDOENB-OAHLLOKOSA-N 1 1 319.836 2.895 50 0 DFAAMO Cc1nnc([C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)[nH]1 ZINC000660005996 543523559 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CCOC(=O)N1CCC([N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000670437054 544040167 /nfs/dbraw/zinc/04/01/67/544040167.db2.gz AMWAZPYYGHFPPG-KRWDZBQOSA-N 1 1 318.417 2.681 50 0 DFAAMO CCOC(=O)N1CCC([N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000670437054 544040169 /nfs/dbraw/zinc/04/01/69/544040169.db2.gz AMWAZPYYGHFPPG-KRWDZBQOSA-N 1 1 318.417 2.681 50 0 DFAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)sc1C ZINC000670449191 544041741 /nfs/dbraw/zinc/04/17/41/544041741.db2.gz FKNNWSADYDNJHF-GFCCVEGCSA-N 1 1 304.419 2.635 50 0 DFAAMO CC(C)c1noc([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)n1 ZINC000670452473 544042958 /nfs/dbraw/zinc/04/29/58/544042958.db2.gz GCRBQQBTJGVXPZ-NSHDSACASA-N 1 1 312.377 2.848 50 0 DFAAMO Cc1cc(N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)nc(-c2cccnc2)n1 ZINC000670455648 544043458 /nfs/dbraw/zinc/04/34/58/544043458.db2.gz RHXCNZBXSIMXKV-CVEARBPZSA-N 1 1 309.417 2.520 50 0 DFAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000670456122 544043744 /nfs/dbraw/zinc/04/37/44/544043744.db2.gz 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C[C@@H]1CCC[N@@H+](CCCOc2ccccc2CNN(C)C)C1 ZINC000067604785 425911592 /nfs/dbraw/zinc/91/15/92/425911592.db2.gz GIFPVTNVJQSMPA-MRXNPFEDSA-N 1 1 305.466 2.754 50 0 DFAAMO COc1cc2cc(C[N@@H+](C)CC(C)C)c(=O)[nH]c2cc1OC ZINC000067655027 425912082 /nfs/dbraw/zinc/91/20/82/425912082.db2.gz KCXMATYRXSWQNR-UHFFFAOYSA-N 1 1 304.390 2.633 50 0 DFAAMO CC[N@H+]1CCO[C@@H](CCNC(=O)c2cccc3ccccc32)C1 ZINC000067676302 425912286 /nfs/dbraw/zinc/91/22/86/425912286.db2.gz JYOVNCOUUMMDHS-INIZCTEOSA-N 1 1 312.413 2.680 50 0 DFAAMO c1coc(-c2nc(CN[C@@H]3CC[N@@H+](Cc4ccccc4)C3)no2)c1 ZINC000067691008 425912668 /nfs/dbraw/zinc/91/26/68/425912668.db2.gz PANXZRRSDZBWCY-OAHLLOKOSA-N 1 1 324.384 2.694 50 0 DFAAMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C(C)(C)C)C2(C)C)no1 ZINC000067889780 425914367 /nfs/dbraw/zinc/91/43/67/425914367.db2.gz YWQDCVDUSWTGGP-DOMZBBRYSA-N 1 1 321.465 2.856 50 0 biogenic,in-vitro DFAAMO CN(Cc1cc(-c2ccncc2)no1)c1[nH+]cnc2[nH]ccc21 ZINC000067947360 425915045 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C[NH+]1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 ZINC000000213174 425544767 /nfs/dbraw/zinc/54/47/67/425544767.db2.gz VWDGCSKEZAUIFY-UHFFFAOYSA-N 1 1 322.334 2.914 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000485485 425564940 /nfs/dbraw/zinc/56/49/40/425564940.db2.gz NIKNCNXMKBNEKF-CQSZACIVSA-N 1 1 311.429 2.927 50 0 DFAAMO COc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1OC ZINC000000819196 425572077 /nfs/dbraw/zinc/57/20/77/425572077.db2.gz IVOJNGOJOPWIEM-UHFFFAOYSA-N 1 1 301.386 2.698 50 0 DFAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000003221516 425611798 /nfs/dbraw/zinc/61/17/98/425611798.db2.gz WHTJFKYIEDZAMF-HNNXBMFYSA-N 1 1 318.417 2.517 50 0 DFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)C1 ZINC000003221516 425611801 /nfs/dbraw/zinc/61/18/01/425611801.db2.gz WHTJFKYIEDZAMF-HNNXBMFYSA-N 1 1 318.417 2.517 50 0 DFAAMO O=C(CC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 ZINC000000254955 425549636 /nfs/dbraw/zinc/54/96/36/425549636.db2.gz 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Cc1cccc(OCCNC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000012899922 425740390 /nfs/dbraw/zinc/74/03/90/425740390.db2.gz GEAMSWLDSPTFDN-UHFFFAOYSA-N 1 1 312.413 2.622 50 0 DFAAMO Cc1cccc(OCCNC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000012899922 425740394 /nfs/dbraw/zinc/74/03/94/425740394.db2.gz GEAMSWLDSPTFDN-UHFFFAOYSA-N 1 1 312.413 2.622 50 0 DFAAMO CCCCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000012934438 425743374 /nfs/dbraw/zinc/74/33/74/425743374.db2.gz SXRPVHBTBKPLLU-MRXNPFEDSA-N 1 1 304.434 2.672 50 0 DFAAMO CCCCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000012934438 425743378 /nfs/dbraw/zinc/74/33/78/425743378.db2.gz SXRPVHBTBKPLLU-MRXNPFEDSA-N 1 1 304.434 2.672 50 0 DFAAMO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000009366449 425688327 /nfs/dbraw/zinc/68/83/27/425688327.db2.gz GWHMCQHOYUIFFU-KSSFIOAISA-N 1 1 315.417 2.533 50 0 DFAAMO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000009366449 425688331 /nfs/dbraw/zinc/68/83/31/425688331.db2.gz 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COc1cccc(C[N@H+](C)Cc2cc(=O)[nH]c(SC)n2)c1 ZINC000014244028 425769826 /nfs/dbraw/zinc/76/98/26/425769826.db2.gz MOSFSKKTLFRSKU-UHFFFAOYSA-N 1 1 305.403 2.545 50 0 DFAAMO COc1cccc(C[N@@H+](C)Cc2cc(=O)[nH]c(SC)n2)c1 ZINC000014244028 425769830 /nfs/dbraw/zinc/76/98/30/425769830.db2.gz MOSFSKKTLFRSKU-UHFFFAOYSA-N 1 1 305.403 2.545 50 0 DFAAMO CN1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCC1=O ZINC000014982240 425777430 /nfs/dbraw/zinc/77/74/30/425777430.db2.gz ZGDVNDFFPYNADG-UHFFFAOYSA-N 1 1 324.424 2.930 50 0 DFAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)CCC2=O)cc1 ZINC000014995298 425779000 /nfs/dbraw/zinc/77/90/00/425779000.db2.gz PIFQVOYVVSOSHM-UHFFFAOYSA-N 1 1 324.424 2.930 50 0 DFAAMO CCC12CN3CC(CC)(C[NH+](C1)C3[C@H]1CCOC(C)(C)C1)C2=O ZINC000019331470 425789876 /nfs/dbraw/zinc/78/98/76/425789876.db2.gz JFOUVNIBWUJRPX-PLDSJADBSA-N 1 1 320.477 2.524 50 0 DFAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000020119228 425791349 /nfs/dbraw/zinc/79/13/49/425791349.db2.gz NTNDQCGGMHJATF-KRWDZBQOSA-N 1 1 317.477 2.690 50 0 DFAAMO CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](CC)CC1 ZINC000020567993 425792485 /nfs/dbraw/zinc/79/24/85/425792485.db2.gz SXXJJFDXNVSECU-HNNXBMFYSA-N 1 1 310.825 2.662 50 0 DFAAMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)COCc1cccc(OC)c1 ZINC000013135953 425750445 /nfs/dbraw/zinc/75/04/45/425750445.db2.gz OKZZGKNJMNNYIT-DLBZAZTESA-N 1 1 307.434 2.837 50 0 DFAAMO CCC[NH+]1CCN(C(=O)c2cc(Br)cs2)CC1 ZINC000013324084 425751235 /nfs/dbraw/zinc/75/12/35/425751235.db2.gz QGBDRQGZBRDZTJ-UHFFFAOYSA-N 1 1 317.252 2.678 50 0 DFAAMO CCC[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000013324165 425752122 /nfs/dbraw/zinc/75/21/22/425752122.db2.gz LZFXBFOBYCLQTA-UHFFFAOYSA-N 1 1 311.223 2.617 50 0 DFAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000013693656 425759368 /nfs/dbraw/zinc/75/93/68/425759368.db2.gz YUVBODPWTZLLGB-UHFFFAOYSA-N 1 1 318.808 2.519 50 0 DFAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)c1 ZINC000044857969 425857989 /nfs/dbraw/zinc/85/79/89/425857989.db2.gz QEUIMKFZCXFJSQ-UHFFFAOYSA-N 1 1 324.428 2.554 50 0 DFAAMO C[NH+](C)[C@@H](CNC(=O)N1CCc2sccc2C1)c1ccco1 ZINC000044895073 425858466 /nfs/dbraw/zinc/85/84/66/425858466.db2.gz UODZRBMUBIIPGL-ZDUSSCGKSA-N 1 1 319.430 2.712 50 0 DFAAMO CC(C)(C)c1nnc(CN2CC[NH+](Cc3cccs3)CC2)o1 ZINC000044914538 425858791 /nfs/dbraw/zinc/85/87/91/425858791.db2.gz BGRNLGLJJVCUGE-UHFFFAOYSA-N 1 1 320.462 2.746 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1OCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000044937764 425858906 /nfs/dbraw/zinc/85/89/06/425858906.db2.gz WNDJCXUNYBFWSG-QYZOEREBSA-N 1 1 324.509 2.768 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000044937764 425858907 /nfs/dbraw/zinc/85/89/07/425858907.db2.gz WNDJCXUNYBFWSG-QYZOEREBSA-N 1 1 324.509 2.768 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000044937764 425858908 /nfs/dbraw/zinc/85/89/08/425858908.db2.gz WNDJCXUNYBFWSG-QYZOEREBSA-N 1 1 324.509 2.768 50 0 DFAAMO CC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccc(OC)cc1 ZINC000027346910 425816292 /nfs/dbraw/zinc/81/62/92/425816292.db2.gz FGAFKRLUYBZTIA-OAHLLOKOSA-N 1 1 317.389 2.841 50 0 DFAAMO CC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000027346910 425816294 /nfs/dbraw/zinc/81/62/94/425816294.db2.gz FGAFKRLUYBZTIA-OAHLLOKOSA-N 1 1 317.389 2.841 50 0 DFAAMO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)CC1CCCCC1 ZINC000029455012 425826397 /nfs/dbraw/zinc/82/63/97/425826397.db2.gz SYTLSCLXSVTYRJ-UHFFFAOYSA-N 1 1 304.390 2.866 50 0 DFAAMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCOc2ccccc2)on1 ZINC000029854986 425829615 /nfs/dbraw/zinc/82/96/15/425829615.db2.gz OQIXDAVDMZCXSF-CQSZACIVSA-N 1 1 317.389 2.711 50 0 DFAAMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCCOc2ccccc2)on1 ZINC000029854986 425829617 /nfs/dbraw/zinc/82/96/17/425829617.db2.gz OQIXDAVDMZCXSF-CQSZACIVSA-N 1 1 317.389 2.711 50 0 DFAAMO C[N@@H+]1CCN(C(=O)Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000030997342 425833522 /nfs/dbraw/zinc/83/35/22/425833522.db2.gz MHMFEPYZUALXDP-SFHVURJKSA-N 1 1 312.388 2.884 50 0 DFAAMO C[N@H+]1CCN(C(=O)Cc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000030997342 425833524 /nfs/dbraw/zinc/83/35/24/425833524.db2.gz MHMFEPYZUALXDP-SFHVURJKSA-N 1 1 312.388 2.884 50 0 DFAAMO Cc1occc1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000032428695 425838533 /nfs/dbraw/zinc/83/85/33/425838533.db2.gz GUPYQKHNKZAYPZ-NSHDSACASA-N 1 1 304.415 2.826 50 0 DFAAMO Cc1occc1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000032428695 425838534 /nfs/dbraw/zinc/83/85/34/425838534.db2.gz GUPYQKHNKZAYPZ-NSHDSACASA-N 1 1 304.415 2.826 50 0 DFAAMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)NC(N)=O ZINC000032777585 425839648 /nfs/dbraw/zinc/83/96/48/425839648.db2.gz HBKZFDJRHXDTAM-MRVPVSSYSA-N 1 1 318.204 2.571 50 0 DFAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)c1ccc(F)cc1 ZINC000032900828 425840507 /nfs/dbraw/zinc/84/05/07/425840507.db2.gz MEBCMUBZSKCFMY-INIZCTEOSA-N 1 1 317.360 2.762 50 0 DFAAMO Cc1nn(C[N@H+](C)C2C3CC4CC(C3)CC2C4)c(=S)n1C ZINC000032923235 425840647 /nfs/dbraw/zinc/84/06/47/425840647.db2.gz XMBCDGDUPJDBLT-UHFFFAOYSA-N 1 1 306.479 2.974 50 0 DFAAMO Cc1nn(C[N@@H+](C)C2C3CC4CC(C3)CC2C4)c(=S)n1C ZINC000032923235 425840648 /nfs/dbraw/zinc/84/06/48/425840648.db2.gz XMBCDGDUPJDBLT-UHFFFAOYSA-N 1 1 306.479 2.974 50 0 DFAAMO Cc1ccc(N2C(=O)N(C[N@@H+]3CCC[C@H](C)C3)C(=O)[C@@H]2C)cc1 ZINC000034896089 425842879 /nfs/dbraw/zinc/84/28/79/425842879.db2.gz KSDDCELLFKCJSS-GJZGRUSLSA-N 1 1 315.417 2.842 50 0 DFAAMO Cc1ccc(N2C(=O)N(C[N@H+]3CCC[C@H](C)C3)C(=O)[C@@H]2C)cc1 ZINC000034896089 425842880 /nfs/dbraw/zinc/84/28/80/425842880.db2.gz KSDDCELLFKCJSS-GJZGRUSLSA-N 1 1 315.417 2.842 50 0 DFAAMO Cc1cccc(-n2nnnc2C(C)(C)[NH2+]Cc2ccccc2)c1 ZINC000035622482 425844574 /nfs/dbraw/zinc/84/45/74/425844574.db2.gz FQXHFUMKNMGIBJ-UHFFFAOYSA-N 1 1 307.401 2.996 50 0 DFAAMO COCCC[N@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000036096952 425844719 /nfs/dbraw/zinc/84/47/19/425844719.db2.gz QMVGPIVLLJGIRG-KRWDZBQOSA-N 1 1 309.450 2.701 50 0 DFAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000036096920 425844975 /nfs/dbraw/zinc/84/49/75/425844975.db2.gz MVDGBPAGDHNOCN-QGZVFWFLSA-N 1 1 301.386 2.822 50 0 DFAAMO CC(C)CC[N@H+](Cc1cccn1C)C[C@@H](O)COCC(C)C ZINC000036099150 425845075 /nfs/dbraw/zinc/84/50/75/425845075.db2.gz UGSNZGIKAAYLCD-GOSISDBHSA-N 1 1 310.482 2.907 50 0 DFAAMO COc1cccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C2CC2)c1 ZINC000036098436 425845348 /nfs/dbraw/zinc/84/53/48/425845348.db2.gz YFVMMBBLYROLLP-MRXNPFEDSA-N 1 1 307.434 2.836 50 0 DFAAMO CC(C)=CCN1CC[N@@H+](Cc2ccc(C)s2)C[C@H]1CCO ZINC000036385737 425845863 /nfs/dbraw/zinc/84/58/63/425845863.db2.gz DXQVBGIYPIMOMI-MRXNPFEDSA-N 1 1 308.491 2.891 50 0 DFAAMO CC(C)=CC[N@@H+]1CCN(Cc2ccc(C)s2)C[C@H]1CCO ZINC000036385737 425845864 /nfs/dbraw/zinc/84/58/64/425845864.db2.gz DXQVBGIYPIMOMI-MRXNPFEDSA-N 1 1 308.491 2.891 50 0 DFAAMO CC(C)=CC[N@H+]1CCN(Cc2ccc(C)s2)C[C@H]1CCO ZINC000036385737 425845865 /nfs/dbraw/zinc/84/58/65/425845865.db2.gz DXQVBGIYPIMOMI-MRXNPFEDSA-N 1 1 308.491 2.891 50 0 DFAAMO C[C@@H](CNC(=S)NCCc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000036847561 425846772 /nfs/dbraw/zinc/84/67/72/425846772.db2.gz CHKMZPFQMBKFDN-CVEARBPZSA-N 1 1 319.518 2.956 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(c2)CCO3)C1 ZINC000046991844 425867561 /nfs/dbraw/zinc/86/75/61/425867561.db2.gz ZQPHLSSLCDYMOE-HNNXBMFYSA-N 1 1 316.445 2.863 50 0 DFAAMO C[C@H](CNC(=O)NCc1ccoc1)[N@@H+]1CCc2sccc2C1 ZINC000047009992 425867630 /nfs/dbraw/zinc/86/76/30/425867630.db2.gz BKXXOQNYPNKTCK-GFCCVEGCSA-N 1 1 319.430 2.587 50 0 DFAAMO C[C@H](CNC(=O)NCc1ccoc1)[N@H+]1CCc2sccc2C1 ZINC000047009992 425867631 /nfs/dbraw/zinc/86/76/31/425867631.db2.gz BKXXOQNYPNKTCK-GFCCVEGCSA-N 1 1 319.430 2.587 50 0 DFAAMO CN(C)[C@H](C[NH2+]Cc1nc(-c2ccsc2)no1)c1ccco1 ZINC000048250966 425873883 /nfs/dbraw/zinc/87/38/83/425873883.db2.gz VLFOIDPXCACAAX-GFCCVEGCSA-N 1 1 318.402 2.784 50 0 DFAAMO C[NH+](C)[C@H](CNCc1nc(-c2ccsc2)no1)c1ccco1 ZINC000048250966 425873884 /nfs/dbraw/zinc/87/38/84/425873884.db2.gz VLFOIDPXCACAAX-GFCCVEGCSA-N 1 1 318.402 2.784 50 0 DFAAMO CC[N@@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745049 425877149 /nfs/dbraw/zinc/87/71/49/425877149.db2.gz MWBPIGPQPMLRDN-CQSZACIVSA-N 1 1 314.433 2.517 50 0 DFAAMO CC[N@H+]1CC[C@H](CNCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000048745049 425877150 /nfs/dbraw/zinc/87/71/50/425877150.db2.gz MWBPIGPQPMLRDN-CQSZACIVSA-N 1 1 314.433 2.517 50 0 DFAAMO CC(=O)Nn1c(C)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1C ZINC000071479496 425986653 /nfs/dbraw/zinc/98/66/53/425986653.db2.gz QVSOEPJSMROBGH-GOSISDBHSA-N 1 1 312.417 2.927 50 0 DFAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071613972 425987151 /nfs/dbraw/zinc/98/71/51/425987151.db2.gz NFDQGQBZHZDQOS-DFQSSKMNSA-N 1 1 322.456 2.780 50 0 DFAAMO Cc1nc[nH]c1CN1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071613972 425987155 /nfs/dbraw/zinc/98/71/55/425987155.db2.gz NFDQGQBZHZDQOS-DFQSSKMNSA-N 1 1 322.456 2.780 50 0 DFAAMO COc1ccc(-c2nc(C[NH+]3CCC(O)CC3)c(C)o2)c(F)c1 ZINC000071779935 425987870 /nfs/dbraw/zinc/98/78/70/425987870.db2.gz RHJNLZDWAJDFPW-UHFFFAOYSA-N 1 1 320.364 2.754 50 0 DFAAMO c1cc(CNC2CC[NH+](CCc3ccncc3)CC2)cs1 ZINC000071792600 425988021 /nfs/dbraw/zinc/98/80/21/425988021.db2.gz RWJKZDBILJHYND-UHFFFAOYSA-N 1 1 301.459 2.940 50 0 DFAAMO Cc1nnsc1CN1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071757280 425988200 /nfs/dbraw/zinc/98/82/00/425988200.db2.gz PRXPRCCBRJKTBD-HNNXBMFYSA-N 1 1 308.495 2.789 50 0 DFAAMO COCC[N@@H+]1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071775702 425988450 /nfs/dbraw/zinc/98/84/50/425988450.db2.gz DQLAUPDXBYLSJL-GOSISDBHSA-N 1 1 301.386 2.868 50 0 DFAAMO COCC[N@H+]1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071775702 425988452 /nfs/dbraw/zinc/98/84/52/425988452.db2.gz DQLAUPDXBYLSJL-GOSISDBHSA-N 1 1 301.386 2.868 50 0 DFAAMO CC(C)[C@@H]1CN(C(=O)c2cccnc2)CCC[N@H+]1CC1CC1 ZINC000071775798 425989173 /nfs/dbraw/zinc/98/91/73/425989173.db2.gz QKFBWTAFVWJWQE-KRWDZBQOSA-N 1 1 301.434 2.664 50 0 DFAAMO NC(=O)[C@H]([NH2+]CCOCc1ccccc1Cl)c1ccccc1 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CC(C)c1noc([C@H](C)[N@@H+](C)C[C@H]2CCc3nccn3C2)n1 ZINC000328630999 398567275 /nfs/dbraw/zinc/56/72/75/398567275.db2.gz KAPLXANFTZFSRG-QWHCGFSZSA-N 1 1 303.410 2.645 50 0 DFAAMO CC(=O)N(Cc1cncnc1)[C@H]1CCC[N@H+](C2CCCC2)CC1 ZINC000328648459 398568940 /nfs/dbraw/zinc/56/89/40/398568940.db2.gz UOWJBMXPHVJMPK-SFHVURJKSA-N 1 1 316.449 2.622 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2c(C)nn(C)c2Cl)c1 ZINC000069738443 398582805 /nfs/dbraw/zinc/58/28/05/398582805.db2.gz BLXDSFCLEKKLDC-CQSZACIVSA-N 1 1 321.856 2.942 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2c(C)nn(C)c2Cl)c1 ZINC000069738443 398582807 /nfs/dbraw/zinc/58/28/07/398582807.db2.gz BLXDSFCLEKKLDC-CQSZACIVSA-N 1 1 321.856 2.942 50 0 DFAAMO C[C@H]([NH2+]Cc1nc(-c2cccs2)no1)[C@H](C)n1cccn1 ZINC000069951355 398590470 /nfs/dbraw/zinc/59/04/70/398590470.db2.gz JLFARXNTMPBITO-QWRGUYRKSA-N 1 1 303.391 2.734 50 0 DFAAMO Cc1ccccc1-c1noc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)n1 ZINC000069973149 398591577 /nfs/dbraw/zinc/59/15/77/398591577.db2.gz 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CC[NH+]1CCN(C(=O)c2cc3occc3c(OC(C)C)c2)CC1 ZINC000072240193 191084168 /nfs/dbraw/zinc/08/41/68/191084168.db2.gz RAXHOBBLXGEJAS-UHFFFAOYSA-N 1 1 316.401 2.998 50 0 DFAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cc1 ZINC000225579288 186280086 /nfs/dbraw/zinc/28/00/86/186280086.db2.gz UHVSKIDLTPFKLA-IRXDYDNUSA-N 1 1 316.401 2.791 50 0 DFAAMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2ccccn2)C1 ZINC000225604154 186282353 /nfs/dbraw/zinc/28/23/53/186282353.db2.gz IRBIDUFRAOKIIE-CQSZACIVSA-N 1 1 302.447 2.805 50 0 DFAAMO OCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1 ZINC000225650686 186286589 /nfs/dbraw/zinc/28/65/89/186286589.db2.gz GZQNHUWBBUUTJF-QZTJIDSGSA-N 1 1 301.361 2.626 50 0 DFAAMO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310063 191119028 /nfs/dbraw/zinc/11/90/28/191119028.db2.gz OYBMUHGTHNULTI-UNEWFSDZSA-N 1 1 304.409 2.952 50 0 DFAAMO C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310063 191119029 /nfs/dbraw/zinc/11/90/29/191119029.db2.gz 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Cc1cc(C[C@H](C)n2cc(C3CC[NH+](C(C)C)CC3)nn2)[nH]n1 ZINC000091326900 193040885 /nfs/dbraw/zinc/04/08/85/193040885.db2.gz UJEVVSCJDUXMGG-AWEZNQCLSA-N 1 1 316.453 2.701 50 0 DFAAMO COc1ccnc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000091350851 193044856 /nfs/dbraw/zinc/04/48/56/193044856.db2.gz CDQPULWVWBDBFI-FUHWJXTLSA-N 1 1 315.461 2.787 50 0 DFAAMO Cc1cc(C)c2[nH]c(C[N@H+](C)C3CCOCC3)cc(=O)c2c1 ZINC000091563173 193073638 /nfs/dbraw/zinc/07/36/38/193073638.db2.gz NXZJFRCSNXPNGR-UHFFFAOYSA-N 1 1 300.402 2.756 50 0 DFAAMO Cc1ccc2[nH]c(CN3CC[N@H+]4CCCC[C@@H]4C3)cc(=O)c2c1 ZINC000091664443 193087045 /nfs/dbraw/zinc/08/70/45/193087045.db2.gz PESLMYBAUHJIFO-MRXNPFEDSA-N 1 1 311.429 2.507 50 0 DFAAMO Cc1ccc2[nH]c(C[N@@H+]3CCN4CCCC[C@@H]4C3)cc(=O)c2c1 ZINC000091664443 193087047 /nfs/dbraw/zinc/08/70/47/193087047.db2.gz PESLMYBAUHJIFO-MRXNPFEDSA-N 1 1 311.429 2.507 50 0 DFAAMO Cc1ccc2[nH]c(C[N@H+]3CCN4CCCC[C@@H]4C3)cc(=O)c2c1 ZINC000091664443 193087048 /nfs/dbraw/zinc/08/70/48/193087048.db2.gz PESLMYBAUHJIFO-MRXNPFEDSA-N 1 1 311.429 2.507 50 0 DFAAMO CCc1[nH+]ccn1CCCn1cc(-c2ccc(Cl)nc2)nn1 ZINC000091665360 193088226 /nfs/dbraw/zinc/08/82/26/193088226.db2.gz YOJIPFBLDNNVRM-UHFFFAOYSA-N 1 1 316.796 2.843 50 0 DFAAMO C[NH+](C)[C@H](C(=O)N1CCC(F)(F)CC1)c1cccc(F)c1 ZINC000091713063 193095773 /nfs/dbraw/zinc/09/57/73/193095773.db2.gz AJSKMNZBWCRPNN-ZDUSSCGKSA-N 1 1 300.324 2.686 50 0 DFAAMO CC[C@]1(CO)CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000091745702 193100061 /nfs/dbraw/zinc/10/00/61/193100061.db2.gz WFBHNXNAGZXVSJ-IBGZPJMESA-N 1 1 313.445 2.916 50 0 DFAAMO CC[C@]1(CO)CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000091745702 193100063 /nfs/dbraw/zinc/10/00/63/193100063.db2.gz WFBHNXNAGZXVSJ-IBGZPJMESA-N 1 1 313.445 2.916 50 0 DFAAMO O=c1cc(C[N@@H+]2CCC[C@H](O)CC2)[nH]c2c(Cl)cccc12 ZINC000091876629 193122374 /nfs/dbraw/zinc/12/23/74/193122374.db2.gz ZLBANFABPOYQGP-LBPRGKRZSA-N 1 1 306.793 2.528 50 0 DFAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091906479 193124577 /nfs/dbraw/zinc/12/45/77/193124577.db2.gz WYVMFPHPEMNVHB-RBUKOAKNSA-N 1 1 302.462 2.662 50 0 DFAAMO CC(C)[C@H]1C[N@@H+](CCC(F)(F)F)C[C@@H]1NC(=O)c1ccco1 ZINC000092038840 193145859 /nfs/dbraw/zinc/14/58/59/193145859.db2.gz OTPVITQKDVRBNV-NEPJUHHUSA-N 1 1 318.339 2.918 50 0 DFAAMO Cn1ncc(C[N@H+]2CCC[C@@](CO)(CC3CC3)C2)c1C1CC1 ZINC000092046589 193147640 /nfs/dbraw/zinc/14/76/40/193147640.db2.gz NAGDMGNJLKFGRY-GOSISDBHSA-N 1 1 303.450 2.672 50 0 DFAAMO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)n1cccn1 ZINC000092062394 193151005 /nfs/dbraw/zinc/15/10/05/193151005.db2.gz AQZPYCPTPGOWJB-KRWDZBQOSA-N 1 1 323.400 2.645 50 0 DFAAMO Fc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ncc[nH]2)C3)cc1 ZINC000092066208 193151225 /nfs/dbraw/zinc/15/12/25/193151225.db2.gz BCIZXWNGLWPONG-DOTOQJQBSA-N 1 1 314.408 2.645 50 0 DFAAMO COc1c(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(C)nn1C ZINC000093593419 193271744 /nfs/dbraw/zinc/27/17/44/193271744.db2.gz HIMLDQHBYPCBNZ-CQSZACIVSA-N 1 1 315.417 2.735 50 0 DFAAMO c1cnc(Oc2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc2)cn1 ZINC000093820699 193313524 /nfs/dbraw/zinc/31/35/24/193313524.db2.gz BEQLBVUVTRLPDB-GOSISDBHSA-N 1 1 311.385 2.881 50 0 DFAAMO Cc1occc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012203027 181740259 /nfs/dbraw/zinc/74/02/59/181740259.db2.gz YKYXCTJNNYIVEK-GOSISDBHSA-N 1 1 302.418 2.926 50 0 DFAAMO CCc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000015831504 182019876 /nfs/dbraw/zinc/01/98/76/182019876.db2.gz NZPKXBIZUOBOOR-INIZCTEOSA-N 1 1 316.401 2.640 50 0 DFAAMO Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1C ZINC000015831490 182019954 /nfs/dbraw/zinc/01/99/54/182019954.db2.gz MEYTYLQTXCAFJW-INIZCTEOSA-N 1 1 316.401 2.694 50 0 DFAAMO Cc1nc(NC2CCN(C(=O)NC(C)(C)C)CC2)c(C)c(C)[nH+]1 ZINC000097373493 193712155 /nfs/dbraw/zinc/71/21/55/193712155.db2.gz XOVPTPRAWFGVKQ-UHFFFAOYSA-N 1 1 319.453 2.786 50 0 DFAAMO Oc1cccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019842645 182155515 /nfs/dbraw/zinc/15/55/15/182155515.db2.gz YAFAIISMUIZKNL-UHFFFAOYSA-N 1 1 312.438 2.886 50 0 DFAAMO CC(C)(C)c1cc(Cl)ccc1OCCOCC[NH2+]CCN ZINC000020118695 182189257 /nfs/dbraw/zinc/18/92/57/182189257.db2.gz BWZLXNYSTWGWFO-UHFFFAOYSA-N 1 1 314.857 2.581 50 0 DFAAMO COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1OC ZINC000020264075 182200974 /nfs/dbraw/zinc/20/09/74/182200974.db2.gz ASIXXJPWMHNLIN-SQWLQELKSA-N 1 1 306.450 2.565 50 0 DFAAMO O=C([C@@H](c1cccnc1)[NH+]1CCCC1)N1CCc2ccccc2C1 ZINC000097679904 193746072 /nfs/dbraw/zinc/74/60/72/193746072.db2.gz NRICWPAKOVBDQB-LJQANCHMSA-N 1 1 321.424 2.803 50 0 DFAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1 ZINC000020367251 182211663 /nfs/dbraw/zinc/21/16/63/182211663.db2.gz JPJNNYLVLMAVLH-UHFFFAOYSA-N 1 1 323.440 2.751 50 0 DFAAMO OCC[C@@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1C1CCCC1 ZINC000020513882 182225761 /nfs/dbraw/zinc/22/57/61/182225761.db2.gz JCBOGDHWBYIXOT-QGZVFWFLSA-N 1 1 324.415 2.776 50 0 DFAAMO CC(=O)CCc1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000020639717 182241154 /nfs/dbraw/zinc/24/11/54/182241154.db2.gz HENGJBULMRWBEC-UHFFFAOYSA-N 1 1 318.461 2.615 50 0 DFAAMO CC[C@H](C)Oc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC000020639501 182241234 /nfs/dbraw/zinc/24/12/34/182241234.db2.gz KMCNMYJQDNWRDQ-INIZCTEOSA-N 1 1 306.450 2.880 50 0 DFAAMO CN1CC[NH+](CCCCOc2ccc(Cl)cc2C=O)CC1 ZINC000020652704 182242158 /nfs/dbraw/zinc/24/21/58/182242158.db2.gz QXCULIYJLJTIEF-UHFFFAOYSA-N 1 1 310.825 2.559 50 0 DFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCc2ccsc2)C[C@@H](C)O1 ZINC000021058361 182264369 /nfs/dbraw/zinc/26/43/69/182264369.db2.gz KFIIWRDJTISJLU-ZIAGYGMSSA-N 1 1 324.490 2.685 50 0 DFAAMO CC[N@@H+](CCCNC(=O)CCn1cccc1)Cc1ccccc1 ZINC000021016618 182261034 /nfs/dbraw/zinc/26/10/34/182261034.db2.gz DLEKHCYTXOLLIR-UHFFFAOYSA-N 1 1 313.445 2.907 50 0 DFAAMO CN(C)c1ncc(C[NH2+]Cc2ccccc2Br)cn1 ZINC000021021899 182261274 /nfs/dbraw/zinc/26/12/74/182261274.db2.gz UFSGEFTZNQGEAD-UHFFFAOYSA-N 1 1 321.222 2.595 50 0 DFAAMO C[N@@H+](CCNC(=O)C1=Cc2ccccc2OC1)C1CCCCC1 ZINC000021095635 182265655 /nfs/dbraw/zinc/26/56/55/182265655.db2.gz HQDVCZWCRXCWJR-UHFFFAOYSA-N 1 1 314.429 2.843 50 0 DFAAMO O=C(NCc1ccccc1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000021175395 182268402 /nfs/dbraw/zinc/26/84/02/182268402.db2.gz JGXWXLFDEKGRRG-INIZCTEOSA-N 1 1 301.434 2.750 50 0 DFAAMO Cc1cccc(OCC[N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000021672906 182283663 /nfs/dbraw/zinc/28/36/63/182283663.db2.gz IOZSWWKZLHSQNM-HNNXBMFYSA-N 1 1 304.434 2.753 50 0 DFAAMO Cc1cccc(OCC[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)c1 ZINC000021672906 182283664 /nfs/dbraw/zinc/28/36/64/182283664.db2.gz IOZSWWKZLHSQNM-HNNXBMFYSA-N 1 1 304.434 2.753 50 0 DFAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(F)cc3)cc2)CC1 ZINC000022027909 182304857 /nfs/dbraw/zinc/30/48/57/182304857.db2.gz FYFSFVRTFZYAJP-UHFFFAOYSA-N 1 1 312.388 2.804 50 0 DFAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(F)cc2)CC1 ZINC000022028179 182305157 /nfs/dbraw/zinc/30/51/57/182305157.db2.gz OQNFJXWQGNMWGP-UHFFFAOYSA-N 1 1 312.388 2.804 50 0 DFAAMO Cc1cccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)c1 ZINC000022774099 182334003 /nfs/dbraw/zinc/33/40/03/182334003.db2.gz CMMUAZCGVOFKEG-UHFFFAOYSA-N 1 1 323.440 2.751 50 0 DFAAMO Cc1ccc(CN2CC[N@H+](C3CCCC3)C[C@@H]2CCO)cc1 ZINC000022852371 182337479 /nfs/dbraw/zinc/33/74/79/182337479.db2.gz OSTFSPBQJYYILU-IBGZPJMESA-N 1 1 302.462 2.806 50 0 DFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)Nc1ccc(OC)cc1 ZINC000024164710 182375933 /nfs/dbraw/zinc/37/59/33/182375933.db2.gz ZOAGFWAYVNHCEN-CQSZACIVSA-N 1 1 319.405 2.608 50 0 DFAAMO COc1cccc(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000024518608 182382524 /nfs/dbraw/zinc/38/25/24/182382524.db2.gz HGORZDJZQXUYSD-SFHVURJKSA-N 1 1 310.397 2.805 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)/C=C/c2ccccc2)C1 ZINC000040105105 183035461 /nfs/dbraw/zinc/03/54/61/183035461.db2.gz FJLZHPRBQROERR-DKGMDFAASA-N 1 1 322.474 2.699 50 0 DFAAMO C[C@H]1C[N@@H+](C2CCN(c3nc4ccccc4s3)CC2)CCO1 ZINC000040549044 183099998 /nfs/dbraw/zinc/09/99/98/183099998.db2.gz VCHFGISEULXSTG-ZDUSSCGKSA-N 1 1 317.458 2.986 50 0 DFAAMO C[C@H]1C[N@H+](C2CCN(c3nc4ccccc4s3)CC2)CCO1 ZINC000040549044 183099999 /nfs/dbraw/zinc/09/99/99/183099999.db2.gz VCHFGISEULXSTG-ZDUSSCGKSA-N 1 1 317.458 2.986 50 0 DFAAMO CCCc1nnc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)s1 ZINC000043557405 183371230 /nfs/dbraw/zinc/37/12/30/183371230.db2.gz NYZYEVHATOKQCA-SNVBAGLBSA-N 1 1 323.422 2.508 50 0 DFAAMO CC(C)c1nnc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)s1 ZINC000043697362 183381298 /nfs/dbraw/zinc/38/12/98/183381298.db2.gz HROZCMWIFYDWPF-SNVBAGLBSA-N 1 1 323.422 2.679 50 0 DFAAMO CCc1noc([C@H](C)N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000044335236 183406099 /nfs/dbraw/zinc/40/60/99/183406099.db2.gz RSHVWOZKHKIAFX-HNNXBMFYSA-N 1 1 314.433 2.819 50 0 DFAAMO CCN(C(=O)c1cnccn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106132176 194187522 /nfs/dbraw/zinc/18/75/22/194187522.db2.gz FODNHVCIMLLQIU-WBVHZDCISA-N 1 1 324.428 2.774 50 0 DFAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(F)cc1 ZINC000106138003 194187842 /nfs/dbraw/zinc/18/78/42/194187842.db2.gz WOSVKUNZKZQSML-KBPBESRZSA-N 1 1 307.413 2.745 50 0 DFAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC000110646094 194345808 /nfs/dbraw/zinc/34/58/08/194345808.db2.gz IVYMVUKFUIPAIF-UKRRQHHQSA-N 1 1 308.447 2.850 50 0 DFAAMO Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)c(F)c2)no1 ZINC000057356337 184036271 /nfs/dbraw/zinc/03/62/71/184036271.db2.gz DXRSAGXZGZYHIM-UHFFFAOYSA-N 1 1 300.293 2.869 50 0 DFAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)NCCc1cccs1 ZINC000058068064 184073005 /nfs/dbraw/zinc/07/30/05/184073005.db2.gz GUNMFLDUDLCVAY-MRXNPFEDSA-N 1 1 317.458 2.582 50 0 DFAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)NCCc1cccs1 ZINC000058068064 184073007 /nfs/dbraw/zinc/07/30/07/184073007.db2.gz GUNMFLDUDLCVAY-MRXNPFEDSA-N 1 1 317.458 2.582 50 0 DFAAMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2ccccc2)c1C ZINC000058166959 184083196 /nfs/dbraw/zinc/08/31/96/184083196.db2.gz MQKHHLVEBKJODT-UHFFFAOYSA-N 1 1 314.385 2.733 50 0 DFAAMO 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ZINC000095363242 426368593 /nfs/dbraw/zinc/36/85/93/426368593.db2.gz GJKRUJNVXOOCSH-CQSZACIVSA-N 1 1 311.433 2.705 50 0 DFAAMO Cc1ccc([C@@H](C(=O)N(C)CC2(CO)CCCC2)[NH+](C)C)cc1 ZINC000095371671 426369959 /nfs/dbraw/zinc/36/99/59/426369959.db2.gz MCKOWMONGPORGO-KRWDZBQOSA-N 1 1 318.461 2.609 50 0 DFAAMO Cc1cccc([C@@H](C(=O)NC2(CO)CCCCCC2)[NH+](C)C)c1 ZINC000095379179 426370849 /nfs/dbraw/zinc/37/08/49/426370849.db2.gz RPOJOBPPDHBPJZ-KRWDZBQOSA-N 1 1 318.461 2.799 50 0 DFAAMO CCCC(O)(CCC)CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000095431892 426372789 /nfs/dbraw/zinc/37/27/89/426372789.db2.gz IUVYFKTUCODQHZ-GVDBMIGSSA-N 1 1 322.493 2.651 50 0 DFAAMO CCN(CC1CCOCC1)C(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000095520748 426373812 /nfs/dbraw/zinc/37/38/12/426373812.db2.gz CUCJLYMPJABVLK-SFHVURJKSA-N 1 1 318.461 2.873 50 0 DFAAMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000095972231 426380085 /nfs/dbraw/zinc/38/00/85/426380085.db2.gz AXFANUMSBMGYCH-CYBMUJFWSA-N 1 1 305.451 2.770 50 0 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322.405 2.539 50 0 DFAAMO CC1(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000096409079 426415580 /nfs/dbraw/zinc/41/55/80/426415580.db2.gz APLROWOOYKPLIY-MRXNPFEDSA-N 1 1 303.402 2.621 50 0 DFAAMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000096421166 426420285 /nfs/dbraw/zinc/42/02/85/426420285.db2.gz WIHJLQUFZSZXSV-HNNXBMFYSA-N 1 1 322.408 2.911 50 0 DFAAMO CC(=O)c1c(F)cccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000096429482 426422640 /nfs/dbraw/zinc/42/26/40/426422640.db2.gz ZORVXNKUBQGEQV-HNNXBMFYSA-N 1 1 320.408 2.577 50 0 DFAAMO CS(=O)(=O)Cc1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000096454000 426429811 /nfs/dbraw/zinc/42/98/11/426429811.db2.gz UNYKYSMQCVFTDG-UHFFFAOYSA-N 1 1 310.806 2.892 50 0 DFAAMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC000097084199 426447537 /nfs/dbraw/zinc/44/75/37/426447537.db2.gz MNBHNHRHTMOSGU-RHSMWYFYSA-N 1 1 306.425 2.995 50 0 DFAAMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466400 426431683 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CC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000097082937 426446439 /nfs/dbraw/zinc/44/64/39/426446439.db2.gz NDKXTPMLNVDYBO-KGLIPLIRSA-N 1 1 303.324 2.850 50 0 DFAAMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCc1ccccc1O ZINC000177150714 426449328 /nfs/dbraw/zinc/44/93/28/426449328.db2.gz BQJLQDJFMVPGJL-MRXNPFEDSA-N 1 1 313.401 2.521 50 0 DFAAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000097112747 426451155 /nfs/dbraw/zinc/45/11/55/426451155.db2.gz UJNQMTCFQVUDIK-OWCLPIDISA-N 1 1 317.433 2.817 50 0 DFAAMO FC(F)(F)c1ccnc(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000097150702 426454701 /nfs/dbraw/zinc/45/47/01/426454701.db2.gz UPBOJTDHYIJXQR-UHFFFAOYSA-N 1 1 322.334 2.966 50 0 DFAAMO Cc1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000097142608 426454278 /nfs/dbraw/zinc/45/42/78/426454278.db2.gz KOAKWZNUOKYWRB-KXBFYZLASA-N 1 1 323.440 2.569 50 0 DFAAMO CC(=O)N1CC[NH+]([C@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000097165317 426456822 /nfs/dbraw/zinc/45/68/22/426456822.db2.gz 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DFAAMO OCCOc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000215311421 426552467 /nfs/dbraw/zinc/55/24/67/426552467.db2.gz ZGFRFKFOPMLKAC-HNNXBMFYSA-N 1 1 304.415 2.851 50 0 DFAAMO OCCOc1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000215311421 426552472 /nfs/dbraw/zinc/55/24/72/426552472.db2.gz ZGFRFKFOPMLKAC-HNNXBMFYSA-N 1 1 304.415 2.851 50 0 DFAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)c1 ZINC000215597317 426553029 /nfs/dbraw/zinc/55/30/29/426553029.db2.gz LZHHUIJNQFXRGM-KRWDZBQOSA-N 1 1 312.417 2.888 50 0 DFAAMO CN(Cc1nccs1)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000215436248 426554227 /nfs/dbraw/zinc/55/42/27/426554227.db2.gz YQHXEPJTWYTLBK-OAHLLOKOSA-N 1 1 315.442 2.591 50 0 DFAAMO Cc1ccc(OCCC[N@@H+]2CCC[C@]23CCOC3=O)cc1C ZINC000186645026 426571895 /nfs/dbraw/zinc/57/18/95/426571895.db2.gz KQCUPEUBVVVKRW-GOSISDBHSA-N 1 1 303.402 2.854 50 0 DFAAMO Cc1ccc(OCCC[N@H+]2CCC[C@]23CCOC3=O)cc1C ZINC000186645026 426571900 /nfs/dbraw/zinc/57/19/00/426571900.db2.gz KQCUPEUBVVVKRW-GOSISDBHSA-N 1 1 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O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000241171096 426715390 /nfs/dbraw/zinc/71/53/90/426715390.db2.gz KECVSVBKKUZHJP-GVDBMIGSSA-N 1 1 302.393 2.626 50 0 DFAAMO OCC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(CO)cc1 ZINC000241588294 426716228 /nfs/dbraw/zinc/71/62/28/426716228.db2.gz PBSBHMPLBIMDSF-UHFFFAOYSA-N 1 1 305.805 2.827 50 0 DFAAMO CO[C@]1(C)C[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C ZINC000241693970 426716495 /nfs/dbraw/zinc/71/64/95/426716495.db2.gz QJGYFKQKVRISGD-XTDFYOKMSA-N 1 1 323.481 2.505 50 0 DFAAMO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000241587910 426717147 /nfs/dbraw/zinc/71/71/47/426717147.db2.gz OYBMUHGTHNULTI-UKPHBRMFSA-N 1 1 304.409 2.952 50 0 DFAAMO C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000241587910 426717151 /nfs/dbraw/zinc/71/71/51/426717151.db2.gz OYBMUHGTHNULTI-UKPHBRMFSA-N 1 1 304.409 2.952 50 0 DFAAMO C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000241775887 426719152 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c1cn(Cc2ccccn2)c(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000091645484 193084517 /nfs/dbraw/zinc/08/45/17/193084517.db2.gz VYLUQXBZXNJHRW-UHFFFAOYSA-N 1 1 320.400 2.500 50 0 DFAAMO CCOC1CCN(C(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000091625933 193081484 /nfs/dbraw/zinc/08/14/84/193081484.db2.gz FXZLGXJGUDLGCV-QGZVFWFLSA-N 1 1 304.434 2.625 50 0 DFAAMO c1c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091856956 193119237 /nfs/dbraw/zinc/11/92/37/193119237.db2.gz ROOZUKSEEJXFCB-DLBZAZTESA-N 1 1 315.442 2.783 50 0 DFAAMO c1c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091856956 193119238 /nfs/dbraw/zinc/11/92/38/193119238.db2.gz ROOZUKSEEJXFCB-DLBZAZTESA-N 1 1 315.442 2.783 50 0 DFAAMO Cc1noc(C)c1CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000091907004 193124600 /nfs/dbraw/zinc/12/46/00/193124600.db2.gz VPEKUIBOZJTJPZ-GOEBONIOSA-N 1 1 317.433 2.657 50 0 DFAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1)C2 ZINC000092037990 193145999 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O=C(C[C@H]1CCCCO1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262058562 203186975 /nfs/dbraw/zinc/18/69/75/203186975.db2.gz VSCQAECLVGESNH-CJNGLKHVSA-N 1 1 322.836 2.772 50 0 DFAAMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000093682881 193288503 /nfs/dbraw/zinc/28/85/03/193288503.db2.gz MWGIUPZGUDKACE-NSHDSACASA-N 1 1 320.380 2.947 50 0 DFAAMO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2nnc3ccccn32)cc1 ZINC000015593701 182008797 /nfs/dbraw/zinc/00/87/97/182008797.db2.gz ZHKWXMSGSGJXGI-LBPRGKRZSA-N 1 1 309.373 2.539 50 0 DFAAMO COc1ccc(C(=O)NC[C@H](c2ccc(C)o2)[NH+](C)C)cc1 ZINC000015860093 182022330 /nfs/dbraw/zinc/02/23/30/182022330.db2.gz DZDHMYMYVXIWLQ-OAHLLOKOSA-N 1 1 302.374 2.629 50 0 DFAAMO Cc1ccc([C@@H](CNC(=O)COc2ccc(C)cc2)[NH+](C)C)o1 ZINC000015860110 182022670 /nfs/dbraw/zinc/02/26/70/182022670.db2.gz SYPRTTWVHNTKNF-MRXNPFEDSA-N 1 1 316.401 2.694 50 0 DFAAMO Cc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)[NH+](C)C)o1 ZINC000015860109 182022753 /nfs/dbraw/zinc/02/27/53/182022753.db2.gz SYPRTTWVHNTKNF-INIZCTEOSA-N 1 1 316.401 2.694 50 0 DFAAMO O=C(Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016580698 182050803 /nfs/dbraw/zinc/05/08/03/182050803.db2.gz MGHRLZJPZJTGRL-UHFFFAOYSA-N 1 1 312.388 2.713 50 0 DFAAMO Brc1ccccc1OCCC[NH+]1CCOCC1 ZINC000019607379 182133360 /nfs/dbraw/zinc/13/33/60/182133360.db2.gz HSKOYGRUWIFMGW-UHFFFAOYSA-N 1 1 300.196 2.550 50 0 DFAAMO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C(C)C ZINC000019607450 182133589 /nfs/dbraw/zinc/13/35/89/182133589.db2.gz RZTWRRSTEYBCQR-BRWVUGGUSA-N 1 1 321.461 2.967 50 0 DFAAMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(Sc3ccccc3)o2)C1 ZINC000019772667 182145100 /nfs/dbraw/zinc/14/51/00/182145100.db2.gz XJPQNKFBICGMAH-GFCCVEGCSA-N 1 1 323.439 2.708 50 0 DFAAMO O[C@H](c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019809095 182152950 /nfs/dbraw/zinc/15/29/50/182152950.db2.gz JXTCBBRMDNXMEA-RBUKOAKNSA-N 1 1 315.388 2.975 50 0 DFAAMO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000021835464 182294004 /nfs/dbraw/zinc/29/40/04/182294004.db2.gz CRHHGWOBYRWVEC-UHFFFAOYSA-N 1 1 323.440 2.751 50 0 DFAAMO Cc1ccccc1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000022027864 182304308 /nfs/dbraw/zinc/30/43/08/182304308.db2.gz QHUGMTNDWGBYSA-UHFFFAOYSA-N 1 1 308.425 2.973 50 0 DFAAMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(Oc2ncccn2)c1 ZINC000022937031 182342791 /nfs/dbraw/zinc/34/27/91/182342791.db2.gz BRPRXAASTIAXEN-MRXNPFEDSA-N 1 1 312.417 2.843 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(Oc2ncccn2)c1 ZINC000022937031 182342792 /nfs/dbraw/zinc/34/27/92/182342792.db2.gz BRPRXAASTIAXEN-MRXNPFEDSA-N 1 1 312.417 2.843 50 0 DFAAMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)[NH+]1CCC(O)CC1 ZINC000023993295 182371459 /nfs/dbraw/zinc/37/14/59/182371459.db2.gz GBNPTRUZHSODTQ-ZDUSSCGKSA-N 1 1 304.434 2.768 50 0 DFAAMO COCC[N@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000036099236 182800303 /nfs/dbraw/zinc/80/03/03/182800303.db2.gz PJKPEASTHQMGGD-MRXNPFEDSA-N 1 1 321.442 2.636 50 0 DFAAMO Cc1cc(C)cc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000039531013 183020488 /nfs/dbraw/zinc/02/04/88/183020488.db2.gz QTEQFOCGSWMCEO-LJQANCHMSA-N 1 1 304.478 2.828 50 0 DFAAMO C[C@@H]1C[N@@H+](C2CCN(c3nc4ccccc4s3)CC2)CCO1 ZINC000040549042 183099672 /nfs/dbraw/zinc/09/96/72/183099672.db2.gz VCHFGISEULXSTG-CYBMUJFWSA-N 1 1 317.458 2.986 50 0 DFAAMO C[C@@H]1C[N@H+](C2CCN(c3nc4ccccc4s3)CC2)CCO1 ZINC000040549042 183099674 /nfs/dbraw/zinc/09/96/74/183099674.db2.gz VCHFGISEULXSTG-CYBMUJFWSA-N 1 1 317.458 2.986 50 0 DFAAMO COc1ccccc1[C@H](CNC(=O)Nc1nccs1)[NH+](C)C ZINC000042739004 183303341 /nfs/dbraw/zinc/30/33/41/183303341.db2.gz PNLZAGLUMDAWGA-LBPRGKRZSA-N 1 1 320.418 2.576 50 0 DFAAMO C[N@H+]1CCN(Cc2cccc(OC3CCCC3)c2)C[C@H]1CCO ZINC000104386365 194004420 /nfs/dbraw/zinc/00/44/20/194004420.db2.gz TWLPHMHWFYFLFB-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1CCO ZINC000104386365 194004427 /nfs/dbraw/zinc/00/44/27/194004427.db2.gz TWLPHMHWFYFLFB-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1CCO ZINC000104386365 194004428 /nfs/dbraw/zinc/00/44/28/194004428.db2.gz TWLPHMHWFYFLFB-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)c1 ZINC000284818207 218189857 /nfs/dbraw/zinc/18/98/57/218189857.db2.gz ODPMDEKKIAJMQK-IPMKNSEASA-N 1 1 319.445 2.626 50 0 DFAAMO COc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c(Cl)c1OC ZINC000106367144 194201882 /nfs/dbraw/zinc/20/18/82/194201882.db2.gz AVEAKENYBUAJHN-GFCCVEGCSA-N 1 1 312.841 2.789 50 0 DFAAMO Cn1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1=O ZINC000055908058 184000302 /nfs/dbraw/zinc/00/03/02/184000302.db2.gz SXSIGNCEJHDTFQ-QGZVFWFLSA-N 1 1 300.377 2.732 50 0 DFAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1csc(-c2ccccc2)n1 ZINC000058175489 184084955 /nfs/dbraw/zinc/08/49/55/184084955.db2.gz TYCPKAKKECLQQX-CYBMUJFWSA-N 1 1 313.426 2.777 50 0 DFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)C1 ZINC000058210396 184088908 /nfs/dbraw/zinc/08/89/08/184088908.db2.gz ISWPNFKNXRZSPG-ZIAGYGMSSA-N 1 1 324.852 2.954 50 0 DFAAMO NC(=O)NC(=O)CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000058137475 184080087 /nfs/dbraw/zinc/08/00/87/184080087.db2.gz SSGWSJZTQLUPEC-MRXNPFEDSA-N 1 1 311.385 2.562 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC000058264763 184096117 /nfs/dbraw/zinc/09/61/17/184096117.db2.gz TWEAWWZKHPULGS-LBPRGKRZSA-N 1 1 319.430 2.865 50 0 DFAAMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000058393742 184112756 /nfs/dbraw/zinc/11/27/56/184112756.db2.gz HZDORRVPQFRKRY-CQSZACIVSA-N 1 1 303.406 2.743 50 0 DFAAMO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000058405314 184113792 /nfs/dbraw/zinc/11/37/92/184113792.db2.gz WVKFLIZZYBWUEQ-SMDDNHRTSA-N 1 1 302.422 2.801 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1 ZINC000058420999 184115776 /nfs/dbraw/zinc/11/57/76/184115776.db2.gz CJWVFTIPZDJUED-INIZCTEOSA-N 1 1 316.445 2.806 50 0 DFAAMO CCCn1cnnc1[C@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000065287937 184322500 /nfs/dbraw/zinc/32/25/00/184322500.db2.gz OFZSIHWFGKLZRD-ZDUSSCGKSA-N 1 1 305.451 2.833 50 0 DFAAMO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000065288800 184323358 /nfs/dbraw/zinc/32/33/58/184323358.db2.gz WWBDQJBCLGSNQB-SFHVURJKSA-N 1 1 316.445 2.712 50 0 DFAAMO CCc1nc(C)c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)[nH]1 ZINC000065371828 184330048 /nfs/dbraw/zinc/33/00/48/184330048.db2.gz HFFDLPFDVJRWAE-CYBMUJFWSA-N 1 1 301.390 2.552 50 0 DFAAMO CCc1nc(C)c(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)[nH]1 ZINC000065371828 184330049 /nfs/dbraw/zinc/33/00/49/184330049.db2.gz HFFDLPFDVJRWAE-CYBMUJFWSA-N 1 1 301.390 2.552 50 0 DFAAMO CCNc1ccnc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000065372197 184330282 /nfs/dbraw/zinc/33/02/82/184330282.db2.gz NKYQJRDPACLGGV-CQSZACIVSA-N 1 1 312.417 2.969 50 0 DFAAMO C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1ccc2sccc2c1 ZINC000065380285 184332013 /nfs/dbraw/zinc/33/20/13/184332013.db2.gz GPPKACYTGUSIPP-AWEZNQCLSA-N 1 1 303.475 2.627 50 0 DFAAMO CN(C)[C@@H]1C[C@@H](CO)[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000065406826 184338738 /nfs/dbraw/zinc/33/87/38/184338738.db2.gz PFYCWQXLLFPIGL-UXHICEINSA-N 1 1 324.468 2.815 50 0 DFAAMO C[NH+]1CCN(CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000065563982 184366487 /nfs/dbraw/zinc/36/64/87/184366487.db2.gz PMTZSBJIKQWYGB-UHFFFAOYSA-N 1 1 315.461 2.600 50 0 DFAAMO CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000120085291 195093508 /nfs/dbraw/zinc/09/35/08/195093508.db2.gz ITDFGKBGTXBCIH-WFASDCNBSA-N 1 1 308.447 2.561 50 0 DFAAMO CCC[NH+]1CCC([N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065782 542424412 /nfs/dbraw/zinc/42/44/12/542424412.db2.gz KFDNRNMLDUBAFY-INIZCTEOSA-N 1 1 321.509 2.632 50 0 DFAAMO CCCN1CCC([N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065782 542424417 /nfs/dbraw/zinc/42/44/17/542424417.db2.gz KFDNRNMLDUBAFY-INIZCTEOSA-N 1 1 321.509 2.632 50 0 DFAAMO CCCN1CCC([N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065782 542424420 /nfs/dbraw/zinc/42/44/20/542424420.db2.gz KFDNRNMLDUBAFY-INIZCTEOSA-N 1 1 321.509 2.632 50 0 DFAAMO CCC[NH+]1CCC([N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065783 542424748 /nfs/dbraw/zinc/42/47/48/542424748.db2.gz KFDNRNMLDUBAFY-MRXNPFEDSA-N 1 1 321.509 2.632 50 0 DFAAMO CCCN1CCC([N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065783 542424751 /nfs/dbraw/zinc/42/47/51/542424751.db2.gz KFDNRNMLDUBAFY-MRXNPFEDSA-N 1 1 321.509 2.632 50 0 DFAAMO CCCN1CCC([N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)CC1 ZINC000015065783 542424756 /nfs/dbraw/zinc/42/47/56/542424756.db2.gz KFDNRNMLDUBAFY-MRXNPFEDSA-N 1 1 321.509 2.632 50 0 DFAAMO Cc1nn(C)cc1CN1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107032197 256583025 /nfs/dbraw/zinc/58/30/25/256583025.db2.gz QAMRHWNTUGGAFN-GOSISDBHSA-N 1 1 304.482 2.671 50 0 DFAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCc2c(F)cccc2F)C1 ZINC000426730620 257243145 /nfs/dbraw/zinc/24/31/45/257243145.db2.gz YLDBOTCHKVZZJM-LBPRGKRZSA-N 1 1 323.387 2.733 50 0 DFAAMO C[C@H](c1ccc(-c2nc(CO)cs2)cc1)[NH+]1CCOCC1 ZINC000426685221 257243971 /nfs/dbraw/zinc/24/39/71/257243971.db2.gz BKTAVOANMMCRIG-GFCCVEGCSA-N 1 1 304.415 2.696 50 0 DFAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]3)C2)n1 ZINC000426662419 257244149 /nfs/dbraw/zinc/24/41/49/257244149.db2.gz ZBZDCOKEMXEGEF-INIZCTEOSA-N 1 1 324.428 2.736 50 0 DFAAMO Cc1cc(CN(C)C(=O)NCCC[N@@H+](C)C2CCCC2)ccn1 ZINC000426652901 257244173 /nfs/dbraw/zinc/24/41/73/257244173.db2.gz LVIRLAQBWGOQNG-UHFFFAOYSA-N 1 1 318.465 2.796 50 0 DFAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCCC1 ZINC000426652923 257244331 /nfs/dbraw/zinc/24/43/31/257244331.db2.gz MJTGVLFZWVXEPK-KRWDZBQOSA-N 1 1 301.434 2.671 50 0 DFAAMO CC[N@H+]1CCC[C@@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426494028 257248547 /nfs/dbraw/zinc/24/85/47/257248547.db2.gz KPBXOJSHXONGKP-GOSISDBHSA-N 1 1 315.461 2.595 50 0 DFAAMO c1ccc(C[N@H+]2CCC[C@@H]3CN(c4cnccn4)CC[C@H]32)cc1 ZINC000268807509 257257500 /nfs/dbraw/zinc/25/75/00/257257500.db2.gz GIFYVXWVIATAFK-QZTJIDSGSA-N 1 1 308.429 2.968 50 0 DFAAMO CC(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000252512574 257258530 /nfs/dbraw/zinc/25/85/30/257258530.db2.gz SLJFLFHHKIMFMZ-HZPDHXFCSA-N 1 1 323.387 2.904 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)N2CCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000252512574 257258531 /nfs/dbraw/zinc/25/85/31/257258531.db2.gz SLJFLFHHKIMFMZ-HZPDHXFCSA-N 1 1 323.387 2.904 50 0 DFAAMO COC(C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O)OC ZINC000239869347 257259753 /nfs/dbraw/zinc/25/97/53/257259753.db2.gz CYNOPTAPTCKEIB-OCCSQVGLSA-N 1 1 320.216 2.502 50 0 DFAAMO CC[N@H+]1CC[C@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000390833098 257260540 /nfs/dbraw/zinc/26/05/40/257260540.db2.gz CCHQQVVJIBWMRU-RYUDHWBXSA-N 1 1 324.494 2.638 50 0 DFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000012731962 257268278 /nfs/dbraw/zinc/26/82/78/257268278.db2.gz FUSFZEPOTPDEEL-WMLDXEAASA-N 1 1 322.424 2.831 50 0 DFAAMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000012731962 257268280 /nfs/dbraw/zinc/26/82/80/257268280.db2.gz FUSFZEPOTPDEEL-WMLDXEAASA-N 1 1 322.424 2.831 50 0 DFAAMO CCNC(=O)C1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000028972569 257269479 /nfs/dbraw/zinc/26/94/79/257269479.db2.gz NRKIZHNIPVORSN-UHFFFAOYSA-N 1 1 319.430 2.751 50 0 DFAAMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)/C=C\c2ccccc2)C[C@@H]1C ZINC000096419766 285396857 /nfs/dbraw/zinc/39/68/57/285396857.db2.gz REFZWWCXCXTUFF-JLNOUXKISA-N 1 1 322.474 2.792 50 0 DFAAMO O=C(c1ccc(O)c(F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000215690095 542872937 /nfs/dbraw/zinc/87/29/37/542872937.db2.gz QOCHWCXGMJKFPZ-UHFFFAOYSA-N 1 1 306.381 2.622 50 0 DFAAMO O=C(c1ccc(O)c(F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000215690095 542872941 /nfs/dbraw/zinc/87/29/41/542872941.db2.gz QOCHWCXGMJKFPZ-UHFFFAOYSA-N 1 1 306.381 2.622 50 0 DFAAMO CCCn1ccnc1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000215787901 542873081 /nfs/dbraw/zinc/87/30/81/542873081.db2.gz OMBGVVBNYFISIE-MRXNPFEDSA-N 1 1 301.438 2.934 50 0 DFAAMO COCC[N@H+](C)CC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000219875224 542878571 /nfs/dbraw/zinc/87/85/71/542878571.db2.gz YRHPOLKRTRNOQY-HNNXBMFYSA-N 1 1 324.852 2.624 50 0 DFAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000219875224 542878573 /nfs/dbraw/zinc/87/85/73/542878573.db2.gz YRHPOLKRTRNOQY-HNNXBMFYSA-N 1 1 324.852 2.624 50 0 DFAAMO COCC[N@H+](C)CC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000219875195 542878591 /nfs/dbraw/zinc/87/85/91/542878591.db2.gz YRHPOLKRTRNOQY-OAHLLOKOSA-N 1 1 324.852 2.624 50 0 DFAAMO COCC[N@@H+](C)CC(=O)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000219875195 542878593 /nfs/dbraw/zinc/87/85/93/542878593.db2.gz YRHPOLKRTRNOQY-OAHLLOKOSA-N 1 1 324.852 2.624 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000252498040 542947189 /nfs/dbraw/zinc/94/71/89/542947189.db2.gz KCKXSHFYVGNUSE-ZBFHGGJFSA-N 1 1 304.438 2.736 50 0 DFAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000052431973 425884553 /nfs/dbraw/zinc/88/45/53/425884553.db2.gz 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ZINC000247973160 158155279 /nfs/dbraw/zinc/15/52/79/158155279.db2.gz FWWQUEFQFBDWQC-WMLDXEAASA-N 1 1 311.385 2.727 50 0 DFAAMO C[C@H](Cc1ccccc1)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000132190993 196234263 /nfs/dbraw/zinc/23/42/63/196234263.db2.gz XFWOFIPKDYHXBR-RHSMWYFYSA-N 1 1 307.459 2.517 50 0 DFAAMO CCOc1ccc(CN(C(=O)[C@H](C)[N@@H+](C)CC)C2CC2)cc1 ZINC000055154758 425892376 /nfs/dbraw/zinc/89/23/76/425892376.db2.gz SKGXQZAHNWXICL-AWEZNQCLSA-N 1 1 304.434 2.917 50 0 DFAAMO CCOc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](OC)C2)cc1C(C)C ZINC000670458660 544043449 /nfs/dbraw/zinc/04/34/49/544043449.db2.gz HOBVJJBLQPZKNQ-WMZOPIPTSA-N 1 1 307.434 2.709 50 0 DFAAMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C(=O)N2CCCC2)cn1 ZINC000670455290 544043729 /nfs/dbraw/zinc/04/37/29/544043729.db2.gz PGLPZMIFBNWGLJ-MRXNPFEDSA-N 1 1 316.449 2.604 50 0 DFAAMO O=C1CCCN1C[C@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670464471 544044376 /nfs/dbraw/zinc/04/43/76/544044376.db2.gz AILWUIGRKBVKKD-ZDUSSCGKSA-N 1 1 307.825 2.569 50 0 DFAAMO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2cnccc2Cl)C1 ZINC000670464471 544044379 /nfs/dbraw/zinc/04/43/79/544044379.db2.gz AILWUIGRKBVKKD-ZDUSSCGKSA-N 1 1 307.825 2.569 50 0 DFAAMO Clc1snnc1CN1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299745414 229386823 /nfs/dbraw/zinc/38/68/23/229386823.db2.gz YVXVTGLIIGJDMA-SNVBAGLBSA-N 1 1 323.853 2.714 50 0 DFAAMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCc2ccccc21 ZINC000056523692 425895728 /nfs/dbraw/zinc/89/57/28/425895728.db2.gz PIXSKKVLBWDXSN-LSDHHAIUSA-N 1 1 301.434 2.879 50 0 DFAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000057177437 425896235 /nfs/dbraw/zinc/89/62/35/425896235.db2.gz BERTVRQUNWVTAU-GOSISDBHSA-N 1 1 323.440 2.918 50 0 DFAAMO C[C@H](C[N@@H+]1CCc2ccccc2C1)NCc1cn2ccccc2n1 ZINC000065384122 425902499 /nfs/dbraw/zinc/90/24/99/425902499.db2.gz IQKDGKPMHRZQNG-MRXNPFEDSA-N 1 1 320.440 2.871 50 0 DFAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NCc1cn2ccccc2n1 ZINC000065384122 425902500 /nfs/dbraw/zinc/90/25/00/425902500.db2.gz 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/nfs/dbraw/zinc/91/25/29/425912529.db2.gz OTUOVCKVAQTJKJ-RUJPKEBESA-N 1 1 322.478 2.645 50 0 DFAAMO CC(C)([NH3+])C(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000067695693 425912650 /nfs/dbraw/zinc/91/26/50/425912650.db2.gz MMYXUEDQFSJYOH-CQSZACIVSA-N 1 1 312.417 2.520 50 0 DFAAMO COc1ccc(F)cc1C[N@H+]1CC[C@H](CNC(=O)C=C(C)C)C1 ZINC000067872349 425914321 /nfs/dbraw/zinc/91/43/21/425914321.db2.gz GKHYEHWFAQXNNN-CQSZACIVSA-N 1 1 320.408 2.739 50 0 DFAAMO COc1ccc(C2(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000067883480 425914415 /nfs/dbraw/zinc/91/44/15/425914415.db2.gz HKFUDJZFBVXRSY-HNNXBMFYSA-N 1 1 316.445 2.575 50 0 DFAAMO c1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)nc1 ZINC000067867109 425914418 /nfs/dbraw/zinc/91/44/18/425914418.db2.gz AFLBTNNVDUVCNO-QGZVFWFLSA-N 1 1 309.417 2.809 50 0 DFAAMO c1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)nc1 ZINC000067867109 425914419 /nfs/dbraw/zinc/91/44/19/425914419.db2.gz AFLBTNNVDUVCNO-QGZVFWFLSA-N 1 1 309.417 2.809 50 0 DFAAMO COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](CNC(C)=O)C1 ZINC000067894855 425914490 /nfs/dbraw/zinc/91/44/90/425914490.db2.gz CITANKNYAPBFLE-HNNXBMFYSA-N 1 1 304.434 2.777 50 0 DFAAMO CCOc1ccc(-c2nccn2C[C@H]2CCCC[N@H+]2C)cn1 ZINC000067894668 425914712 /nfs/dbraw/zinc/91/47/12/425914712.db2.gz GRPQOAVATAEWCI-OAHLLOKOSA-N 1 1 300.406 2.828 50 0 DFAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000067955386 425915148 /nfs/dbraw/zinc/91/51/48/425915148.db2.gz HPFMXOSSDOLADF-IPJDOKCGSA-N 1 1 302.418 2.921 50 0 DFAAMO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000067851839 425913888 /nfs/dbraw/zinc/91/38/88/425913888.db2.gz XQXPNKXCLLMCCT-SFHVURJKSA-N 1 1 302.418 2.562 50 0 DFAAMO COc1ccc(F)cc1C[N@H+]1CC[C@@H](CNC(=O)C=C(C)C)C1 ZINC000067872348 425914129 /nfs/dbraw/zinc/91/41/29/425914129.db2.gz GKHYEHWFAQXNNN-AWEZNQCLSA-N 1 1 320.408 2.739 50 0 DFAAMO COc1ccccc1COC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000068048182 425915729 /nfs/dbraw/zinc/91/57/29/425915729.db2.gz 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C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCOc1ccccc1 ZINC000007457532 425643410 /nfs/dbraw/zinc/64/34/10/425643410.db2.gz RRHDOTGZGKQSIY-WBVHZDCISA-N 1 1 304.434 2.692 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCOc1ccccc1 ZINC000007457532 425643412 /nfs/dbraw/zinc/64/34/12/425643412.db2.gz RRHDOTGZGKQSIY-WBVHZDCISA-N 1 1 304.434 2.692 50 0 DFAAMO NC(=O)C1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000007435804 425643705 /nfs/dbraw/zinc/64/37/05/425643705.db2.gz PYCOIZSGOZCIJI-UHFFFAOYSA-N 1 1 301.415 2.507 50 0 DFAAMO Cc1ccsc1C[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000008309904 425665844 /nfs/dbraw/zinc/66/58/44/425665844.db2.gz XIUYVWSYSZEIST-UHFFFAOYSA-N 1 1 306.406 2.944 50 0 DFAAMO Cc1ccsc1C[N@@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000008309904 425665848 /nfs/dbraw/zinc/66/58/48/425665848.db2.gz XIUYVWSYSZEIST-UHFFFAOYSA-N 1 1 306.406 2.944 50 0 DFAAMO C[C@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](C)CC4)c23)C1 ZINC000003444624 425615233 /nfs/dbraw/zinc/61/52/33/425615233.db2.gz OVLOWQXCBBUNJD-LBPRGKRZSA-N 1 1 316.474 2.958 50 0 DFAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCCCC1 ZINC000005814206 425626315 /nfs/dbraw/zinc/62/63/15/425626315.db2.gz RQRHFOPEAPYZFY-QGZVFWFLSA-N 1 1 301.434 2.696 50 0 DFAAMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000007380606 425642478 /nfs/dbraw/zinc/64/24/78/425642478.db2.gz BXHVTFQXKOEFEN-OAHLLOKOSA-N 1 1 312.413 2.832 50 0 DFAAMO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccco2)c1 ZINC000009902332 425694676 /nfs/dbraw/zinc/69/46/76/425694676.db2.gz UMGUBKVXAKXDAX-KRWDZBQOSA-N 1 1 314.385 2.742 50 0 DFAAMO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccco2)c1 ZINC000009902332 425694680 /nfs/dbraw/zinc/69/46/80/425694680.db2.gz UMGUBKVXAKXDAX-KRWDZBQOSA-N 1 1 314.385 2.742 50 0 DFAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000011695633 425711356 /nfs/dbraw/zinc/71/13/56/425711356.db2.gz VSRYFZUWUCPRNB-UHFFFAOYSA-N 1 1 318.808 2.519 50 0 DFAAMO CSCC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014964115 425775949 /nfs/dbraw/zinc/77/59/49/425775949.db2.gz 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322.792 2.577 50 0 DFAAMO O=C(CCc1cccc(O)c1)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000299787267 427770249 /nfs/dbraw/zinc/77/02/49/427770249.db2.gz VSBKJTZGZJMHOV-INIZCTEOSA-N 1 1 316.445 2.706 50 0 DFAAMO CC(C)n1nccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000337187519 427812596 /nfs/dbraw/zinc/81/25/96/427812596.db2.gz QEPUPGICOOYGCE-SJORKVTESA-N 1 1 303.381 2.911 50 0 DFAAMO CC(C)n1nccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000337187519 427812598 /nfs/dbraw/zinc/81/25/98/427812598.db2.gz QEPUPGICOOYGCE-SJORKVTESA-N 1 1 303.381 2.911 50 0 DFAAMO CCOC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000096417406 273696380 /nfs/dbraw/zinc/69/63/80/273696380.db2.gz XPUYOYITWOAAMZ-MRXNPFEDSA-N 1 1 322.836 2.946 50 0 DFAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)c2ccccc12 ZINC000065503930 274108212 /nfs/dbraw/zinc/10/82/12/274108212.db2.gz VHJSTWUEIWMKDC-ZDUSSCGKSA-N 1 1 300.402 2.757 50 0 DFAAMO Cc1cc(N2CC[NH2+]CC2)c2cc(Br)ccc2n1 ZINC000040175106 274708351 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CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccn2)N3)C1 ZINC000004124922 276236641 /nfs/dbraw/zinc/23/66/41/276236641.db2.gz OWVYDBUCWKSRJB-AWEZNQCLSA-N 1 1 314.414 2.950 50 0 DFAAMO CCN(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308710 /nfs/dbraw/zinc/30/87/10/276308710.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 1 1 317.477 2.526 50 0 DFAAMO CCN(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000069538238 276308711 /nfs/dbraw/zinc/30/87/11/276308711.db2.gz XMLCYXIZXQJSCG-FUHWJXTLSA-N 1 1 317.477 2.526 50 0 DFAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1nc3c(s1)CCCC3)C2 ZINC000067541677 277159197 /nfs/dbraw/zinc/15/91/97/277159197.db2.gz TVHCBQRHENAQMP-QGZVFWFLSA-N 1 1 319.474 2.580 50 0 DFAAMO CC(C)(C)SCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000225785968 277223114 /nfs/dbraw/zinc/22/31/14/277223114.db2.gz YWXBUGZNOOTUML-HIFRSBDPSA-N 1 1 310.507 2.993 50 0 DFAAMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000583619721 430411042 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Cc1ccccc1[C@H](C(=O)N1CCC(C(C)(C)O)CC1)[NH+](C)C ZINC000223043389 302170232 /nfs/dbraw/zinc/17/02/32/302170232.db2.gz SSFWQIBLHDNLKL-QGZVFWFLSA-N 1 1 318.461 2.607 50 0 DFAAMO COc1ccc2c(c1)C[N@@H+](Cc1cc(-c3cnn(C)c3)no1)CC2 ZINC000184988099 316178592 /nfs/dbraw/zinc/17/85/92/316178592.db2.gz KKORDWJMHNITQF-UHFFFAOYSA-N 1 1 324.384 2.642 50 0 DFAAMO COc1ccc2c(c1)C[N@H+](Cc1cc(-c3cnn(C)c3)no1)CC2 ZINC000184988099 316178595 /nfs/dbraw/zinc/17/85/95/316178595.db2.gz KKORDWJMHNITQF-UHFFFAOYSA-N 1 1 324.384 2.642 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000097103328 323209156 /nfs/dbraw/zinc/20/91/56/323209156.db2.gz YLACRSOQDVZVJL-NEPJUHHUSA-N 1 1 318.377 2.779 50 0 DFAAMO C[NH+]1CCN(CCCSc2ccnc3ccccc32)CC1 ZINC000130788351 323212396 /nfs/dbraw/zinc/21/23/96/323212396.db2.gz QZDWPLHFACGGCH-UHFFFAOYSA-N 1 1 301.459 2.964 50 0 DFAAMO O=C(c1cnc2c(c1)CCCC2)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097784795 332201861 /nfs/dbraw/zinc/20/18/61/332201861.db2.gz 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FC(F)(F)c1cnc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)[nH]1 ZINC000328587973 231231958 /nfs/dbraw/zinc/23/19/58/231231958.db2.gz KSSFUDTZESKZSZ-GFCCVEGCSA-N 1 1 315.339 2.955 50 0 DFAAMO FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH]1 ZINC000328587973 231231962 /nfs/dbraw/zinc/23/19/62/231231962.db2.gz KSSFUDTZESKZSZ-GFCCVEGCSA-N 1 1 315.339 2.955 50 0 DFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCCSC2)c1 ZINC000089960864 185272128 /nfs/dbraw/zinc/27/21/28/185272128.db2.gz JJNVUTQCIHLYCZ-INIZCTEOSA-N 1 1 321.490 2.833 50 0 DFAAMO Cc1nc[nH]c1C[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244866726 398380647 /nfs/dbraw/zinc/38/06/47/398380647.db2.gz WBJKYKOPTAQQFY-UHFFFAOYSA-N 1 1 303.797 2.922 50 0 DFAAMO Cc1nc[nH]c1C[N@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244866726 398380649 /nfs/dbraw/zinc/38/06/49/398380649.db2.gz WBJKYKOPTAQQFY-UHFFFAOYSA-N 1 1 303.797 2.922 50 0 DFAAMO Cc1nc[nH]c1C[N@@H+](C)CCc1nc2ccc(Cl)cc2[nH]1 ZINC000244866726 398380651 /nfs/dbraw/zinc/38/06/51/398380651.db2.gz 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2.528 50 0 DFAAMO COCC[C@]1(CO)CCC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000091724876 193097250 /nfs/dbraw/zinc/09/72/50/193097250.db2.gz KQAPLPPTOIOSIP-MTCRFPMVSA-N 1 1 319.445 2.819 50 0 DFAAMO CN(Cc1ccc2nsnc2c1)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000091738024 193100696 /nfs/dbraw/zinc/10/06/96/193100696.db2.gz LSVXBCFMYGMPAV-HNNXBMFYSA-N 1 1 318.446 2.524 50 0 DFAAMO Cc1cc(C)c2[nH]c(C[NH2+]Cc3cnc(C)cn3)cc(=O)c2c1 ZINC000091624848 193080786 /nfs/dbraw/zinc/08/07/86/193080786.db2.gz HGOGOPVIIQPEHU-UHFFFAOYSA-N 1 1 308.385 2.533 50 0 DFAAMO CC1(C)C[N@@H+](Cc2cnc(-c3ccccn3)nc2)CC[C@]1(C)O ZINC000091770553 193105108 /nfs/dbraw/zinc/10/51/08/193105108.db2.gz MWRZWYYLCUESRI-SFHVURJKSA-N 1 1 312.417 2.522 50 0 DFAAMO CCOCC1(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)CC1 ZINC000091829261 193113673 /nfs/dbraw/zinc/11/36/73/193113673.db2.gz AJQZMTOFCDPLMS-MRXNPFEDSA-N 1 1 304.434 2.531 50 0 DFAAMO Cc1cccc([C@H](C(=O)N(C)CCC2(O)CCCC2)[NH+](C)C)c1 ZINC000091848079 193116895 /nfs/dbraw/zinc/11/68/95/193116895.db2.gz NUINPICGECLCCX-QGZVFWFLSA-N 1 1 318.461 2.751 50 0 DFAAMO c1c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091856954 193119443 /nfs/dbraw/zinc/11/94/43/193119443.db2.gz ROOZUKSEEJXFCB-IRXDYDNUSA-N 1 1 315.442 2.783 50 0 DFAAMO c1c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)[nH]nc1-c1ccccc1 ZINC000091856954 193119444 /nfs/dbraw/zinc/11/94/44/193119444.db2.gz ROOZUKSEEJXFCB-IRXDYDNUSA-N 1 1 315.442 2.783 50 0 DFAAMO Cn1ncc(C[N@H+]2CCC[C@](CO)(CC3CC3)C2)c1C1CC1 ZINC000092046587 193147163 /nfs/dbraw/zinc/14/71/63/193147163.db2.gz NAGDMGNJLKFGRY-SFHVURJKSA-N 1 1 303.450 2.672 50 0 DFAAMO O=C(CC[N@@H+]1CCC[C@@](CO)(CC2CC2)C1)NC1CCCCC1 ZINC000092081706 193155181 /nfs/dbraw/zinc/15/51/81/193155181.db2.gz ZTWGABYRHUHUKD-LJQANCHMSA-N 1 1 322.493 2.700 50 0 DFAAMO Clc1ccc2c(c1)C=C(C[N@@H+]1CCC3(C1)OCCO3)CO2 ZINC000093012976 193193176 /nfs/dbraw/zinc/19/31/76/193193176.db2.gz UMOASXCYCCAPLB-UHFFFAOYSA-N 1 1 307.777 2.565 50 0 DFAAMO Clc1ccc2c(c1)C=C(C[N@H+]1CCC3(C1)OCCO3)CO2 ZINC000093012976 193193178 /nfs/dbraw/zinc/19/31/78/193193178.db2.gz UMOASXCYCCAPLB-UHFFFAOYSA-N 1 1 307.777 2.565 50 0 DFAAMO COC[C@@H]1CCC[N@@H+](CC2(CN3CCOCC3)CCCCC2)C1 ZINC000093337746 193235122 /nfs/dbraw/zinc/23/51/22/193235122.db2.gz XJEBYNIDXSTIDG-GOSISDBHSA-N 1 1 324.509 2.628 50 0 DFAAMO c1cc(N2CCCC2)ncc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093588997 193270975 /nfs/dbraw/zinc/27/09/75/193270975.db2.gz ZHYZVAODMCQXNW-UHFFFAOYSA-N 1 1 301.434 2.827 50 0 DFAAMO c1cc(N2CCCC2)ncc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000093588997 193270977 /nfs/dbraw/zinc/27/09/77/193270977.db2.gz ZHYZVAODMCQXNW-UHFFFAOYSA-N 1 1 301.434 2.827 50 0 DFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC(F)(F)F)C2)s1 ZINC000093682882 193288246 /nfs/dbraw/zinc/28/82/46/193288246.db2.gz MWGIUPZGUDKACE-LLVKDONJSA-N 1 1 320.380 2.947 50 0 DFAAMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000093898756 193325345 /nfs/dbraw/zinc/32/53/45/193325345.db2.gz UEWKZVZLGHCKON-ZDUSSCGKSA-N 1 1 300.402 2.662 50 0 DFAAMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000093899329 193325584 /nfs/dbraw/zinc/32/55/84/193325584.db2.gz JCCTVCAPEKGCJZ-VIFPVBQESA-N 1 1 306.303 2.658 50 0 DFAAMO c1cc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)co1 ZINC000012446117 181764080 /nfs/dbraw/zinc/76/40/80/181764080.db2.gz GFJQDJWSWYNMII-UHFFFAOYSA-N 1 1 323.352 2.957 50 0 DFAAMO c1cc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)co1 ZINC000012446117 181764082 /nfs/dbraw/zinc/76/40/82/181764082.db2.gz GFJQDJWSWYNMII-UHFFFAOYSA-N 1 1 323.352 2.957 50 0 DFAAMO CCc1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000015831502 182019834 /nfs/dbraw/zinc/01/98/34/182019834.db2.gz NZPKXBIZUOBOOR-MRXNPFEDSA-N 1 1 316.401 2.640 50 0 DFAAMO Cc1ccc([C@H](CNC(=O)COc2ccccc2C)[NH+](C)C)o1 ZINC000015860111 182022362 /nfs/dbraw/zinc/02/23/62/182022362.db2.gz PHBSWKVQZJWBPC-HNNXBMFYSA-N 1 1 316.401 2.694 50 0 DFAAMO Cc1ccc(COC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000016577206 182049779 /nfs/dbraw/zinc/04/97/79/182049779.db2.gz COTZXVVGAZVFMD-HXUWFJFHSA-N 1 1 311.425 2.931 50 0 DFAAMO Cc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000016605178 182053151 /nfs/dbraw/zinc/05/31/51/182053151.db2.gz SBEJERLKOWJOND-UHFFFAOYSA-N 1 1 308.425 2.996 50 0 DFAAMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000019607488 182133548 /nfs/dbraw/zinc/13/35/48/182133548.db2.gz RPWQXDQJMQKTLU-INMHGKMJSA-N 1 1 321.461 2.833 50 0 DFAAMO OCC[C@@H]1C[N@H+](C2CCCC2)CCN1Cc1ccc(F)cc1 ZINC000019761085 182144065 /nfs/dbraw/zinc/14/40/65/182144065.db2.gz ZFLIAIWBRLGAGA-GOSISDBHSA-N 1 1 306.425 2.637 50 0 DFAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019773869 182146310 /nfs/dbraw/zinc/14/63/10/182146310.db2.gz HOLVMUKXTWFNRK-UHFFFAOYSA-N 1 1 324.424 2.962 50 0 DFAAMO Cc1c[nH]c(CN(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)n1 ZINC000019940001 182168085 /nfs/dbraw/zinc/16/80/85/182168085.db2.gz KSVYDKXZMZBVDD-SFHVURJKSA-N 1 1 324.472 2.782 50 0 DFAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(F)c1 ZINC000020149070 182192151 /nfs/dbraw/zinc/19/21/51/182192151.db2.gz SFMVVWUXHKDWAF-ZDUSSCGKSA-N 1 1 310.756 2.597 50 0 DFAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(C)C)CC1 ZINC000020288028 182203410 /nfs/dbraw/zinc/20/34/10/182203410.db2.gz SWBDOJSSVFWGLH-GDBMZVCRSA-N 1 1 323.506 2.587 50 0 DFAAMO CCN1CC[NH+](CCCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000020406481 182215347 /nfs/dbraw/zinc/21/53/47/182215347.db2.gz BSXLALKOYRDUOA-UHFFFAOYSA-N 1 1 318.461 2.615 50 0 DFAAMO CCC(=O)c1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000020653110 182242149 /nfs/dbraw/zinc/24/21/49/182242149.db2.gz IFFGFOGPBVFIBO-UHFFFAOYSA-N 1 1 304.434 2.686 50 0 DFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCc2ccccc2)C[C@H](C)O1 ZINC000021055194 182264294 /nfs/dbraw/zinc/26/42/94/182264294.db2.gz ITCSNHDGLAEVAU-IYBDPMFKSA-N 1 1 318.461 2.623 50 0 DFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCc2ccccc2)C[C@H](C)O1 ZINC000021055194 182264299 /nfs/dbraw/zinc/26/42/99/182264299.db2.gz ITCSNHDGLAEVAU-IYBDPMFKSA-N 1 1 318.461 2.623 50 0 DFAAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCOc1ccccc1F ZINC000021672642 182283192 /nfs/dbraw/zinc/28/31/92/182283192.db2.gz FOZPMXFKURCDTF-CYBMUJFWSA-N 1 1 308.397 2.584 50 0 DFAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCOc1ccccc1F ZINC000021672642 182283193 /nfs/dbraw/zinc/28/31/93/182283193.db2.gz FOZPMXFKURCDTF-CYBMUJFWSA-N 1 1 308.397 2.584 50 0 DFAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(F)cc1)[NH+](C)C ZINC000023712166 182367659 /nfs/dbraw/zinc/36/76/59/182367659.db2.gz VHCQADCUKVWJCH-INIZCTEOSA-N 1 1 316.376 2.867 50 0 DFAAMO Cc1ccc(O)c(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000024110744 182376065 /nfs/dbraw/zinc/37/60/65/182376065.db2.gz GKGKEBADNHTDDF-UHFFFAOYSA-N 1 1 312.413 2.953 50 0 DFAAMO CN(C)c1ccc(Cc2c(N)nc(-c3ccccc3)[nH+]c2N)cc1 ZINC000038701970 183006379 /nfs/dbraw/zinc/00/63/79/183006379.db2.gz JFMXUMHTPOVCAX-UHFFFAOYSA-N 1 1 319.412 2.965 50 0 DFAAMO Cc1ccccc1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000040039713 183028681 /nfs/dbraw/zinc/02/86/81/183028681.db2.gz HRZIUQCGXBOAJG-UHFFFAOYSA-N 1 1 301.434 2.719 50 0 DFAAMO CCOc1ccccc1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000039380906 183017445 /nfs/dbraw/zinc/01/74/45/183017445.db2.gz LATOBVAQNALRJP-GOSISDBHSA-N 1 1 320.477 2.610 50 0 DFAAMO CCc1ccc(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)o1 ZINC000039371692 183017499 /nfs/dbraw/zinc/01/74/99/183017499.db2.gz CISXTCQTOSUPPS-MRXNPFEDSA-N 1 1 306.450 2.677 50 0 DFAAMO Cc1noc(C)c1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040514247 183088769 /nfs/dbraw/zinc/08/87/69/183088769.db2.gz CDQMCPYSDFDOIN-UHFFFAOYSA-N 1 1 319.430 2.701 50 0 DFAAMO Cc1noc(C)c1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040514247 183088771 /nfs/dbraw/zinc/08/87/71/183088771.db2.gz CDQMCPYSDFDOIN-UHFFFAOYSA-N 1 1 319.430 2.701 50 0 DFAAMO O=C(Nc1cccnc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000040520731 183090844 /nfs/dbraw/zinc/09/08/44/183090844.db2.gz WRGMZZJJFLDZPP-UHFFFAOYSA-N 1 1 316.430 2.883 50 0 DFAAMO CC(C)[N@@H+]1CC[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 ZINC000040623327 183109931 /nfs/dbraw/zinc/10/99/31/183109931.db2.gz HSRQSVXWFVPGOV-ZDUSSCGKSA-N 1 1 304.463 2.958 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNCc2c[nH]nc2-c2cccs2)C1 ZINC000040623327 183109934 /nfs/dbraw/zinc/10/99/34/183109934.db2.gz HSRQSVXWFVPGOV-ZDUSSCGKSA-N 1 1 304.463 2.958 50 0 DFAAMO CC(C)c1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000041869316 183222744 /nfs/dbraw/zinc/22/27/44/183222744.db2.gz QIKYYSUQNDMVTD-SFHVURJKSA-N 1 1 318.461 2.897 50 0 DFAAMO COc1cc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)ccn1 ZINC000042208308 183242781 /nfs/dbraw/zinc/24/27/81/183242781.db2.gz CKDXPPJHAYUOLC-LBPRGKRZSA-N 1 1 314.385 2.712 50 0 DFAAMO Cc1ccn2cc(Cn3cnc4c(F)cccc4c3=O)[nH+]c2c1 ZINC000043139842 183340913 /nfs/dbraw/zinc/34/09/13/183340913.db2.gz BPAFIPIDHGWAKF-UHFFFAOYSA-N 1 1 308.316 2.540 50 0 DFAAMO Cc1ccccc1CN1CC[N@@H+](CC(C)(C)C)C[C@H]1CCO ZINC000104478267 194009980 /nfs/dbraw/zinc/00/99/80/194009980.db2.gz PCQXGBRKUZMHOF-GOSISDBHSA-N 1 1 304.478 2.910 50 0 DFAAMO Cc1ccccc1C[N@@H+]1CCN(CC(C)(C)C)C[C@H]1CCO ZINC000104478267 194009982 /nfs/dbraw/zinc/00/99/82/194009982.db2.gz PCQXGBRKUZMHOF-GOSISDBHSA-N 1 1 304.478 2.910 50 0 DFAAMO Cc1ccccc1C[N@H+]1CCN(CC(C)(C)C)C[C@H]1CCO ZINC000104478267 194009984 /nfs/dbraw/zinc/00/99/84/194009984.db2.gz PCQXGBRKUZMHOF-GOSISDBHSA-N 1 1 304.478 2.910 50 0 DFAAMO CCOc1ccccc1CN1CC[N@H+](C2CCC2)C[C@H]1CCO ZINC000104489875 194011334 /nfs/dbraw/zinc/01/13/34/194011334.db2.gz RHDKGOWYJBZCNX-GOSISDBHSA-N 1 1 318.461 2.506 50 0 DFAAMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000284772548 218171887 /nfs/dbraw/zinc/17/18/87/218171887.db2.gz HIBAFEVHSBMPCG-LNLFQRSKSA-N 1 1 316.445 2.691 50 0 DFAAMO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000284776439 218173006 /nfs/dbraw/zinc/17/30/06/218173006.db2.gz XVSTYTYBFVMMEF-IXDOHACOSA-N 1 1 301.386 2.795 50 0 DFAAMO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1 ZINC000284776439 218173007 /nfs/dbraw/zinc/17/30/07/218173007.db2.gz XVSTYTYBFVMMEF-IXDOHACOSA-N 1 1 301.386 2.795 50 0 DFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)c1 ZINC000284818212 218190635 /nfs/dbraw/zinc/19/06/35/218190635.db2.gz ODPMDEKKIAJMQK-OTWHNJEPSA-N 1 1 319.445 2.626 50 0 DFAAMO CC(C)C[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000105626967 194115947 /nfs/dbraw/zinc/11/59/47/194115947.db2.gz ZXUSSXFJJZCVCW-GOSISDBHSA-N 1 1 315.461 2.693 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccccc2Cl)C1 ZINC000106155706 194188888 /nfs/dbraw/zinc/18/88/88/194188888.db2.gz ISWPNFKNXRZSPG-KBPBESRZSA-N 1 1 324.852 2.954 50 0 DFAAMO CC(=O)N1CCC([N@@H+]2CCN(c3ccccc3C)C[C@@H]2C)CC1 ZINC000106253982 194192769 /nfs/dbraw/zinc/19/27/69/194192769.db2.gz OPCIMPNMRXGMFT-INIZCTEOSA-N 1 1 315.461 2.516 50 0 DFAAMO Cc1nnc([C@@H](C)N2CCC[N@@H+](Cc3ccccc3C)CC2)o1 ZINC000106652272 194240182 /nfs/dbraw/zinc/24/01/82/194240182.db2.gz CLJUXQZGQLPBAX-OAHLLOKOSA-N 1 1 314.433 2.955 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCc2cc(F)ccc2F)C1 ZINC000058210306 184088533 /nfs/dbraw/zinc/08/85/33/184088533.db2.gz 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O=C(Nc1ccccc1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000022011135 182303662 /nfs/dbraw/zinc/30/36/62/182303662.db2.gz FXVCPFANETUOHA-GOSISDBHSA-N 1 1 310.397 2.823 50 0 DFAAMO O=C(Nc1ccccc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000022011141 182303741 /nfs/dbraw/zinc/30/37/41/182303741.db2.gz FXVCPFANETUOHA-SFHVURJKSA-N 1 1 310.397 2.823 50 0 DFAAMO C[N@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000022758514 182332984 /nfs/dbraw/zinc/33/29/84/182332984.db2.gz BYYGPGQETFTIIV-INIZCTEOSA-N 1 1 312.413 2.883 50 0 DFAAMO C[N@@H+](CN1C(=O)CC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000022758514 182332987 /nfs/dbraw/zinc/33/29/87/182332987.db2.gz BYYGPGQETFTIIV-INIZCTEOSA-N 1 1 312.413 2.883 50 0 DFAAMO OCC[NH+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000023281056 182355323 /nfs/dbraw/zinc/35/53/23/182355323.db2.gz RMTIJDXECJBCKM-UHFFFAOYSA-N 1 1 320.820 2.710 50 0 DFAAMO OCCN1CC[NH+](Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000023281056 182355326 /nfs/dbraw/zinc/35/53/26/182355326.db2.gz RMTIJDXECJBCKM-UHFFFAOYSA-N 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Fc1ccc(-c2n[nH]cc2CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000042229201 183244316 /nfs/dbraw/zinc/24/43/16/183244316.db2.gz BONKLBYUGNBZOC-CYBMUJFWSA-N 1 1 314.408 2.790 50 0 DFAAMO Fc1ccc(-c2n[nH]cc2CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000042229201 183244319 /nfs/dbraw/zinc/24/43/19/183244319.db2.gz BONKLBYUGNBZOC-CYBMUJFWSA-N 1 1 314.408 2.790 50 0 DFAAMO OC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1Br ZINC000042240287 183246543 /nfs/dbraw/zinc/24/65/43/183246543.db2.gz LDGJJLYNDKETQX-GFCCVEGCSA-N 1 1 302.187 2.935 50 0 DFAAMO OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1Br ZINC000042240287 183246544 /nfs/dbraw/zinc/24/65/44/183246544.db2.gz LDGJJLYNDKETQX-GFCCVEGCSA-N 1 1 302.187 2.935 50 0 DFAAMO C[C@@H](CNC(=O)Nc1nccs1)[N@@H+]1CCc2sccc2C1 ZINC000043163430 183342308 /nfs/dbraw/zinc/34/23/08/183342308.db2.gz BVNOJLUKVJHBMR-JTQLQIEISA-N 1 1 322.459 2.773 50 0 DFAAMO C[C@@H](CNC(=O)Nc1nccs1)[N@H+]1CCc2sccc2C1 ZINC000043163430 183342309 /nfs/dbraw/zinc/34/23/09/183342309.db2.gz BVNOJLUKVJHBMR-JTQLQIEISA-N 1 1 322.459 2.773 50 0 DFAAMO CCCc1nnc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)s1 ZINC000043557403 183371234 /nfs/dbraw/zinc/37/12/34/183371234.db2.gz NYZYEVHATOKQCA-JTQLQIEISA-N 1 1 323.422 2.508 50 0 DFAAMO CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(Cc2cccc3[nH]ccc32)C1 ZINC000284516182 218059624 /nfs/dbraw/zinc/05/96/24/218059624.db2.gz INJLVQQDLYIFJV-CJNGLKHVSA-N 1 1 311.389 2.556 50 0 DFAAMO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000284516182 218059626 /nfs/dbraw/zinc/05/96/26/218059626.db2.gz INJLVQQDLYIFJV-CJNGLKHVSA-N 1 1 311.389 2.556 50 0 DFAAMO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000284516182 218059629 /nfs/dbraw/zinc/05/96/29/218059629.db2.gz INJLVQQDLYIFJV-CJNGLKHVSA-N 1 1 311.389 2.556 50 0 DFAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC)cc2)C1 ZINC000104835279 194044563 /nfs/dbraw/zinc/04/45/63/194044563.db2.gz UQEPFXPWPQAKSE-ZBFHGGJFSA-N 1 1 305.418 2.901 50 0 DFAAMO Cc1cccc(OCC[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)c1 ZINC000284818201 218189852 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C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@H](C)O1 ZINC000058023173 184069016 /nfs/dbraw/zinc/06/90/16/184069016.db2.gz SEFIKBFWTMLNLP-UXLLHSPISA-N 1 1 317.433 2.792 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccccc2)C[C@@H](C)O1 ZINC000058023176 184069157 /nfs/dbraw/zinc/06/91/57/184069157.db2.gz SEFIKBFWTMLNLP-INMHGKMJSA-N 1 1 317.433 2.792 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@@H+](CCO)C3CC3)c2cc1Cl ZINC000058167834 184083853 /nfs/dbraw/zinc/08/38/53/184083853.db2.gz JKQLTIIFRYXRBN-UHFFFAOYSA-N 1 1 307.777 2.712 50 0 DFAAMO COc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000058210663 184088833 /nfs/dbraw/zinc/08/88/33/184088833.db2.gz PXEXCHFTQZCUFF-CQSZACIVSA-N 1 1 305.422 2.937 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000058217413 184089086 /nfs/dbraw/zinc/08/90/86/184089086.db2.gz SIBZUCNIZVHYHT-SNVBAGLBSA-N 1 1 301.312 2.921 50 0 DFAAMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(F)(F)F ZINC000058217414 184089171 /nfs/dbraw/zinc/08/91/71/184089171.db2.gz SIBZUCNIZVHYHT-JTQLQIEISA-N 1 1 301.312 2.921 50 0 DFAAMO CC[N@@H+](CCC(C)C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000058159352 184081859 /nfs/dbraw/zinc/08/18/59/184081859.db2.gz GKGZLKHAGPRIFS-UHFFFAOYSA-N 1 1 306.406 2.764 50 0 DFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000058245206 184094015 /nfs/dbraw/zinc/09/40/15/184094015.db2.gz IOMDFJQXZPVOFK-QGZVFWFLSA-N 1 1 309.413 2.724 50 0 DFAAMO CC[N@H+]1CCC[C@H](CNC(=O)CCC(=O)c2ccc(C)cc2)C1 ZINC000058276718 184098295 /nfs/dbraw/zinc/09/82/95/184098295.db2.gz CJWVFTIPZDJUED-MRXNPFEDSA-N 1 1 316.445 2.806 50 0 DFAAMO CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058281868 184099339 /nfs/dbraw/zinc/09/93/39/184099339.db2.gz MYXDZKAFBPGUFN-HNNXBMFYSA-N 1 1 304.434 2.936 50 0 DFAAMO Cn1nccc1C1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000058343784 184107018 /nfs/dbraw/zinc/10/70/18/184107018.db2.gz UDWFACBZWQGIEL-UHFFFAOYSA-N 1 1 321.428 2.985 50 0 DFAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)/C=C/c1ccncc1 ZINC000058419869 184115946 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ZINC000065288798 184323471 /nfs/dbraw/zinc/32/34/71/184323471.db2.gz AGOXERADWFKXKJ-SFHVURJKSA-N 1 1 316.445 2.712 50 0 DFAAMO CCn1c2ncccc2nc1[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC000065314262 184324245 /nfs/dbraw/zinc/32/42/45/184324245.db2.gz YZNQUAKWQBBKLR-CQSZACIVSA-N 1 1 307.401 2.836 50 0 DFAAMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000065337426 184324800 /nfs/dbraw/zinc/32/48/00/184324800.db2.gz SJIVVBIUXVKZDK-OLZOCXBDSA-N 1 1 301.308 2.860 50 0 DFAAMO O[C@]12CCCC[C@H]1C[N@@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000065365943 184329155 /nfs/dbraw/zinc/32/91/55/184329155.db2.gz WAXYNWZCKYABFX-LPHOPBHVSA-N 1 1 311.429 2.999 50 0 DFAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](CCn2cccc2)C1 ZINC000065371368 184330053 /nfs/dbraw/zinc/33/00/53/184330053.db2.gz QHLYXJLZTCRYIC-GOSISDBHSA-N 1 1 301.434 2.521 50 0 DFAAMO COc1ccccc1-n1nc(C2CC2)nc1CCn1cc[nH+]c1C ZINC000065381431 184332076 /nfs/dbraw/zinc/33/20/76/184332076.db2.gz QZSVBTOJWPLGAH-UHFFFAOYSA-N 1 1 323.400 2.901 50 0 DFAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000065423112 184342154 /nfs/dbraw/zinc/34/21/54/184342154.db2.gz WZFSACSSRRBZLD-OAHLLOKOSA-N 1 1 303.406 2.722 50 0 DFAAMO CCc1[nH]c(CN(C)Cc2cc(-c3ccncc3)no2)c(C)[nH+]1 ZINC000065466982 184350296 /nfs/dbraw/zinc/35/02/96/184350296.db2.gz YBSKRKSJDHGVDC-UHFFFAOYSA-N 1 1 311.389 2.963 50 0 DFAAMO Cc1ccc(NC[C@H]2CCN(Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467322 184350422 /nfs/dbraw/zinc/35/04/22/184350422.db2.gz BXAZDGKXJBIUPV-CYBMUJFWSA-N 1 1 313.405 2.584 50 0 DFAAMO CC[N@@H+](C)CCNC(=O)c1sc(-c2ccccc2)nc1C ZINC000065403847 184337142 /nfs/dbraw/zinc/33/71/42/184337142.db2.gz GEORJFLMNVJYIE-UHFFFAOYSA-N 1 1 303.431 2.800 50 0 DFAAMO C[C@@H](COc1ccccc1)[NH2+]Cc1nc(-c2cccnc2)no1 ZINC000065526565 184359753 /nfs/dbraw/zinc/35/97/53/184359753.db2.gz DIJQJYMXZAKQTQ-ZDUSSCGKSA-N 1 1 310.357 2.689 50 0 DFAAMO Cc1cccc2cc(C[N@H+](C)CCCc3cnn(C)c3)c(=O)[nH]c12 ZINC000067739925 184483773 /nfs/dbraw/zinc/48/37/73/184483773.db2.gz DCYXHZOPLZREIY-UHFFFAOYSA-N 1 1 324.428 2.635 50 0 DFAAMO C/C=C(\C)C[N@H+]1CCC[C@H](CCNC(=O)c2snnc2C)C1 ZINC000067695504 184480570 /nfs/dbraw/zinc/48/05/70/184480570.db2.gz OTUOVCKVAQTJKJ-NQADCFBISA-N 1 1 322.478 2.645 50 0 DFAAMO Cn1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1=O ZINC000052276007 425884004 /nfs/dbraw/zinc/88/40/04/425884004.db2.gz LVKOBPPZTXXEKI-MRXNPFEDSA-N 1 1 318.804 2.612 50 0 DFAAMO Cn1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1=O ZINC000052276007 425884003 /nfs/dbraw/zinc/88/40/03/425884003.db2.gz LVKOBPPZTXXEKI-MRXNPFEDSA-N 1 1 318.804 2.612 50 0 DFAAMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000156649711 197129817 /nfs/dbraw/zinc/12/98/17/197129817.db2.gz PBNCDAAJHIVXRQ-CVEARBPZSA-N 1 1 313.449 2.792 50 0 DFAAMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000156649711 197129818 /nfs/dbraw/zinc/12/98/18/197129818.db2.gz PBNCDAAJHIVXRQ-CVEARBPZSA-N 1 1 313.449 2.792 50 0 DFAAMO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000014185097 542422658 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/nfs/dbraw/zinc/37/12/76/426371276.db2.gz WJSVCOWPDAAISY-GFCCVEGCSA-N 1 1 310.467 2.542 50 0 DFAAMO Cn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095385867 426371350 /nfs/dbraw/zinc/37/13/50/426371350.db2.gz FNOODQOWEQZNSU-ZWKOTPCHSA-N 1 1 310.445 2.517 50 0 DFAAMO COc1cccc(C(=O)N2CCC[N@H+]([C@@H]3C=CCCC3)CC2)c1 ZINC000095954806 426376814 /nfs/dbraw/zinc/37/68/14/426376814.db2.gz NNTPVJJLHSOFTA-QGZVFWFLSA-N 1 1 314.429 2.952 50 0 DFAAMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000095957457 426377687 /nfs/dbraw/zinc/37/76/87/426377687.db2.gz GARBIIIOFHSHSV-HNNXBMFYSA-N 1 1 313.405 2.675 50 0 DFAAMO CC[C@@H]([NH2+]CC(=O)Nc1c(C)n[nH]c1C)c1ccc(F)cc1F ZINC000095985292 426382210 /nfs/dbraw/zinc/38/22/10/426382210.db2.gz IAZGMLOCTBNIMU-CQSZACIVSA-N 1 1 322.359 2.984 50 0 DFAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)s1 ZINC000095982476 426382780 /nfs/dbraw/zinc/38/27/80/426382780.db2.gz GMUORHIZMWPRNY-UHFFFAOYSA-N 1 1 315.442 2.800 50 0 DFAAMO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccc(F)cc1)CCC2 ZINC000096002710 426386151 /nfs/dbraw/zinc/38/61/51/426386151.db2.gz XWSNBEXSNVVOGB-MRXNPFEDSA-N 1 1 303.381 2.836 50 0 DFAAMO CC(C)[N@H+]1CC[C@H](NC(=O)/C=C\c2cccc3cccnc23)C1 ZINC000096295251 426412389 /nfs/dbraw/zinc/41/23/89/426412389.db2.gz NBXMIOSEJYJRAN-JJEJIETFSA-N 1 1 309.413 2.847 50 0 DFAAMO C[C@H]1SCC[N@@H+](CCN2CCCC2=O)[C@H]1c1ccccc1 ZINC000096411371 426416805 /nfs/dbraw/zinc/41/68/05/426416805.db2.gz RQZXDLQVWDPTKJ-RHSMWYFYSA-N 1 1 304.459 2.787 50 0 DFAAMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000096424630 426420847 /nfs/dbraw/zinc/42/08/47/426420847.db2.gz OUXKVIOAQBZPQP-INIZCTEOSA-N 1 1 311.429 2.969 50 0 DFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000097084344 426447385 /nfs/dbraw/zinc/44/73/85/426447385.db2.gz PUDOQYPDCGRPNR-LBPRGKRZSA-N 1 1 322.836 2.752 50 0 DFAAMO O=C1OCCN1CC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000096441654 426426022 /nfs/dbraw/zinc/42/60/22/426426022.db2.gz GZZFHRXGIQAMFO-CQSZACIVSA-N 1 1 306.431 2.553 50 0 DFAAMO Cc1ocnc1C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097084331 426447476 /nfs/dbraw/zinc/44/74/76/426447476.db2.gz LMEPWCPRGYNYPQ-OAHLLOKOSA-N 1 1 300.358 2.804 50 0 DFAAMO C[N@H+]1CCC[C@H](CNC(=O)N(CCC(F)(F)F)C2CCC2)C1 ZINC000096460793 426430850 /nfs/dbraw/zinc/43/08/50/426430850.db2.gz ICZGJNDRAULDKQ-GFCCVEGCSA-N 1 1 321.387 2.845 50 0 DFAAMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466399 426431012 /nfs/dbraw/zinc/43/10/12/426431012.db2.gz JYJZDTLRDCEPOW-HNNXBMFYSA-N 1 1 323.824 2.574 50 0 DFAAMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(Cl)ccc2NC2CC2)C1 ZINC000096466399 426431016 /nfs/dbraw/zinc/43/10/16/426431016.db2.gz JYJZDTLRDCEPOW-HNNXBMFYSA-N 1 1 323.824 2.574 50 0 DFAAMO C[C@H]1C[C@@H](NC(=O)c2ccncc2F)C[N@H+]1Cc1ccccc1 ZINC000096466346 426431146 /nfs/dbraw/zinc/43/11/46/426431146.db2.gz SOXLRACLNPOLBL-DZGCQCFKSA-N 1 1 313.376 2.614 50 0 DFAAMO CC(C)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)on1 ZINC000096477710 426432998 /nfs/dbraw/zinc/43/29/98/426432998.db2.gz LGTOOOOVPVTYMH-LBPRGKRZSA-N 1 1 312.377 2.625 50 0 DFAAMO O=C1CCC(=O)N1CC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000096481038 426433210 /nfs/dbraw/zinc/43/32/10/426433210.db2.gz RYAXJSGTOMCTJS-QFBILLFUSA-N 1 1 312.413 2.537 50 0 DFAAMO CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000096492876 426436290 /nfs/dbraw/zinc/43/62/90/426436290.db2.gz DSHAIKMWMGMPRU-YOEHRIQHSA-N 1 1 304.434 2.599 50 0 DFAAMO CCSCc1ccnc(NC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000097107698 426449082 /nfs/dbraw/zinc/44/90/82/426449082.db2.gz CPXOSBGXBGCKPW-UHFFFAOYSA-N 1 1 308.451 2.504 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CCNC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112500 426450257 /nfs/dbraw/zinc/45/02/57/426450257.db2.gz HRYSLPKQVCGKAC-OAHLLOKOSA-N 1 1 313.449 2.576 50 0 DFAAMO O[C@@H](C[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1cccc(F)c1 ZINC000097200703 426457671 /nfs/dbraw/zinc/45/76/71/426457671.db2.gz XFNPAUWWYXGEMN-YOEHRIQHSA-N 1 1 315.392 2.688 50 0 DFAAMO c1cc(-c2noc(C[NH+]3CCC(c4cn[nH]c4)CC3)n2)cs1 ZINC000097203056 426458442 /nfs/dbraw/zinc/45/84/42/426458442.db2.gz RQVQYXHUQFTMNQ-UHFFFAOYSA-N 1 1 315.402 2.901 50 0 DFAAMO Cc1ccc2[nH]nc(C(=O)NCc3ccccc3C[NH+](C)C)c2c1 ZINC000097212090 426458890 /nfs/dbraw/zinc/45/88/90/426458890.db2.gz XZLDIYSSTLENKZ-UHFFFAOYSA-N 1 1 322.412 2.863 50 0 DFAAMO Cn1cc(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cn1 ZINC000097203386 426459042 /nfs/dbraw/zinc/45/90/42/426459042.db2.gz AIIZPBYVZRCTSI-UHFFFAOYSA-N 1 1 323.400 2.850 50 0 DFAAMO Cc1[nH]nc(C2CC2)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097272352 426462830 /nfs/dbraw/zinc/46/28/30/426462830.db2.gz NNGAAEJECWCOTN-INIZCTEOSA-N 1 1 324.428 2.600 50 0 DFAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000097272352 426462834 /nfs/dbraw/zinc/46/28/34/426462834.db2.gz NNGAAEJECWCOTN-INIZCTEOSA-N 1 1 324.428 2.600 50 0 DFAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097272352 426462837 /nfs/dbraw/zinc/46/28/37/426462837.db2.gz NNGAAEJECWCOTN-INIZCTEOSA-N 1 1 324.428 2.600 50 0 DFAAMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2noc(C3CC3)n2)CC1 ZINC000097378912 426465448 /nfs/dbraw/zinc/46/54/48/426465448.db2.gz YYONNMCBIOBVME-GFCCVEGCSA-N 1 1 318.446 2.887 50 0 DFAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1ccon1 ZINC000097413171 426466576 /nfs/dbraw/zinc/46/65/76/426466576.db2.gz CUNRXSQRWNPAIR-OAHLLOKOSA-N 1 1 319.792 2.895 50 0 DFAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(CCO)Cc1ccccc1Cl ZINC000097475074 426468112 /nfs/dbraw/zinc/46/81/12/426468112.db2.gz KDMJOYAWVHKIEA-INIZCTEOSA-N 1 1 324.852 2.535 50 0 DFAAMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)c(O)co2)C12CCCCC2 ZINC000098013278 426475389 /nfs/dbraw/zinc/47/53/89/426475389.db2.gz AKYNVEFIWXWNNV-IAGOWNOFSA-N 1 1 321.417 2.905 50 0 DFAAMO Cc1ccc(-c2c(=O)c(=O)c2NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000101982040 426487400 /nfs/dbraw/zinc/48/74/00/426487400.db2.gz AHSSJHDNBFAHOO-CQSZACIVSA-N 1 1 312.413 2.544 50 0 DFAAMO Cc1nc(C[N@@H+](CCO)CC23CC4CC(CC(C4)C2)C3)co1 ZINC000215439707 426551946 /nfs/dbraw/zinc/55/19/46/426551946.db2.gz MHPCPALOGLOCCP-UHFFFAOYSA-N 1 1 304.434 2.994 50 0 DFAAMO Cc1ccccc1[C@@H](C(=O)N(C)CCC1CCOCC1)[NH+](C)C ZINC000221218195 426578034 /nfs/dbraw/zinc/57/80/34/426578034.db2.gz ODJRBNKQHUHIJP-SFHVURJKSA-N 1 1 318.461 2.873 50 0 DFAAMO Cc1cc(O)ccc1C(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000222676540 426584033 /nfs/dbraw/zinc/58/40/33/426584033.db2.gz LPORPJVUMPXYID-CQSZACIVSA-N 1 1 302.418 2.695 50 0 DFAAMO C[N@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000226752838 426621566 /nfs/dbraw/zinc/62/15/66/426621566.db2.gz SZIXFUQCSHXIBK-QZTJIDSGSA-N 1 1 312.388 2.787 50 0 DFAAMO O[C@@H]1Cc2ccccc2[C@@H]1Nc1cc[nH+]cc1Br ZINC000225405569 426599261 /nfs/dbraw/zinc/59/92/61/426599261.db2.gz ORVAZJVVTVRFKO-KGLIPLIRSA-N 1 1 305.175 2.914 50 0 DFAAMO OC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccsc1 ZINC000225387975 426599574 /nfs/dbraw/zinc/59/95/74/426599574.db2.gz YIDZCVSFUYPOJG-JTQLQIEISA-N 1 1 302.193 2.927 50 0 DFAAMO OCc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000225560850 426605294 /nfs/dbraw/zinc/60/52/94/426605294.db2.gz IRPHOQWQIQTLNK-MAUKXSAKSA-N 1 1 319.351 2.765 50 0 DFAAMO OCc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000225560850 426605299 /nfs/dbraw/zinc/60/52/99/426605299.db2.gz IRPHOQWQIQTLNK-MAUKXSAKSA-N 1 1 319.351 2.765 50 0 DFAAMO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000225560823 426605965 /nfs/dbraw/zinc/60/59/65/426605965.db2.gz IRPHOQWQIQTLNK-CRAIPNDOSA-N 1 1 319.351 2.765 50 0 DFAAMO OCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000225560823 426605968 /nfs/dbraw/zinc/60/59/68/426605968.db2.gz IRPHOQWQIQTLNK-CRAIPNDOSA-N 1 1 319.351 2.765 50 0 DFAAMO CCCn1c(C)nnc1C[N@H+](CCO)[C@H](C)C1CCCCC1 ZINC000225535661 426606267 /nfs/dbraw/zinc/60/62/67/426606267.db2.gz RAVJTYYTWVECTO-CQSZACIVSA-N 1 1 308.470 2.760 50 0 DFAAMO CCCn1c(C)nnc1C[N@@H+](CCO)[C@H](C)C1CCCCC1 ZINC000225535661 426606273 /nfs/dbraw/zinc/60/62/73/426606273.db2.gz RAVJTYYTWVECTO-CQSZACIVSA-N 1 1 308.470 2.760 50 0 DFAAMO Cc1n[nH]c(C)c1CC(=O)Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC000225539279 426606645 /nfs/dbraw/zinc/60/66/45/426606645.db2.gz ADEFAHDWPAZHCG-UHFFFAOYSA-N 1 1 323.400 2.761 50 0 DFAAMO COc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000226751574 426621855 /nfs/dbraw/zinc/62/18/55/426621855.db2.gz QNIDNHUFECBVGI-MSOLQXFVSA-N 1 1 310.397 2.979 50 0 DFAAMO C[N@@H+](CCSC(C)(C)C)C1CCN(c2cnccn2)CC1 ZINC000225786911 426612524 /nfs/dbraw/zinc/61/25/24/426612524.db2.gz VVEGDDXLHWIWHN-UHFFFAOYSA-N 1 1 308.495 2.909 50 0 DFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2ncsc2c1 ZINC000229384813 426635825 /nfs/dbraw/zinc/63/58/25/426635825.db2.gz USMMKZMZFFRFAK-JSGCOSHPSA-N 1 1 301.415 2.653 50 0 DFAAMO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)Cc2nc3ccccc3s2)C1 ZINC000229934155 426642169 /nfs/dbraw/zinc/64/21/69/426642169.db2.gz RYPFOSUGWIYPOI-ZBEGNZNMSA-N 1 1 322.405 2.814 50 0 DFAAMO COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)Cc2nc3ccccc3s2)C1 ZINC000229934155 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/nfs/dbraw/zinc/87/65/09/425876509.db2.gz CPKOSHBOABAJLO-GOSISDBHSA-N 1 1 322.493 2.937 50 0 DFAAMO Fc1ccc(F)c(C[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000048326065 425874689 /nfs/dbraw/zinc/87/46/89/425874689.db2.gz CXSMFZAALVACRD-UHFFFAOYSA-N 1 1 300.312 2.835 50 0 DFAAMO O=C(CCCc1c[nH]c2ccccc12)N1CC[NH+](C2CC2)CC1 ZINC000048375429 425875265 /nfs/dbraw/zinc/87/52/65/425875265.db2.gz PCWLPCNFNWGAGU-UHFFFAOYSA-N 1 1 311.429 2.797 50 0 DFAAMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](CC3CCCCC3)C2)o1 ZINC000049170450 425878910 /nfs/dbraw/zinc/87/89/10/425878910.db2.gz NQYBLSMJHLCTDP-AWEZNQCLSA-N 1 1 315.421 2.840 50 0 biogenic,in-vitro DFAAMO CC(C)OCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000106931054 425980663 /nfs/dbraw/zinc/98/06/63/425980663.db2.gz DKFKDHZYHUJITK-FUHWJXTLSA-N 1 1 318.461 2.780 50 0 DFAAMO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2[nH]c(CC)nc2C)C1 ZINC000071315326 425984338 /nfs/dbraw/zinc/98/43/38/425984338.db2.gz LVWRASHVIQEDLY-AWEZNQCLSA-N 1 1 301.438 2.946 50 0 DFAAMO Cc1ocnc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071589775 425986529 /nfs/dbraw/zinc/98/65/29/425986529.db2.gz VAQBAOYKADWQRY-HNNXBMFYSA-N 1 1 305.422 2.566 50 0 DFAAMO CC(C)[C@H]1CN(C(=O)NCc2ccco2)CCC[N@H+]1CC1CC1 ZINC000071777201 425988560 /nfs/dbraw/zinc/98/85/60/425988560.db2.gz GNDVOHLSOZWJET-QGZVFWFLSA-N 1 1 319.449 2.932 50 0 DFAAMO CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1CO ZINC000071825336 425992178 /nfs/dbraw/zinc/99/21/78/425992178.db2.gz VGAIOVIPDNXEKU-UHFFFAOYSA-N 1 1 307.825 2.979 50 0 DFAAMO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000071824917 425992191 /nfs/dbraw/zinc/99/21/91/425992191.db2.gz KTKLZSNNHRQYAH-GOSISDBHSA-N 1 1 310.397 2.756 50 0 DFAAMO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000071828122 425993505 /nfs/dbraw/zinc/99/35/05/425993505.db2.gz MKAQAXGIZATXHO-RTBURBONSA-N 1 1 324.424 2.659 50 0 DFAAMO O[C@H](C[N@H+](Cc1ccccc1)C[C@H]1CCOC1)c1ccco1 ZINC000107512796 425994194 /nfs/dbraw/zinc/99/41/94/425994194.db2.gz RLWPTHGUYRIWBI-IAGOWNOFSA-N 1 1 301.386 2.852 50 0 DFAAMO O[C@H](C[N@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1Cl ZINC000071876378 425997733 /nfs/dbraw/zinc/99/77/33/425997733.db2.gz PPKDNZKIKQPUHJ-CZUORRHYSA-N 1 1 320.824 2.520 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)c1 ZINC000071875989 425997807 /nfs/dbraw/zinc/99/78/07/425997807.db2.gz LRCGUPIKHWEBMK-INIZCTEOSA-N 1 1 313.401 2.627 50 0 DFAAMO c1cnn(C[C@@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000071875558 425997835 /nfs/dbraw/zinc/99/78/35/425997835.db2.gz ZZBAUYDACFAIEF-SFHVURJKSA-N 1 1 307.401 2.733 50 0 DFAAMO O[C@@H](C[N@H+]1CCCC[C@H]1Cn1cccn1)c1cc(F)ccc1F ZINC000071875272 425997961 /nfs/dbraw/zinc/99/79/61/425997961.db2.gz NINJVFNNGHCLPC-YOEHRIQHSA-N 1 1 321.371 2.749 50 0 DFAAMO C[N@H+]1CCC[C@H](CSc2ccc(C(=O)N3CCCC3)cn2)C1 ZINC000071886132 425999619 /nfs/dbraw/zinc/99/96/19/425999619.db2.gz ACAKMEXZLBRSDP-AWEZNQCLSA-N 1 1 319.474 2.752 50 0 DFAAMO Cn1ccnc1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000071897365 426000762 /nfs/dbraw/zinc/00/07/62/426000762.db2.gz MQSFWKKYUHXPOC-UHFFFAOYSA-N 1 1 310.445 2.695 50 0 DFAAMO CCN1CCN(C(=O)CCCn2cc[nH+]c2C)c2ccccc21 ZINC000071896732 426001057 /nfs/dbraw/zinc/00/10/57/426001057.db2.gz GMNQUZBZEBOZSF-UHFFFAOYSA-N 1 1 312.417 2.845 50 0 DFAAMO CCC[N@H+]1CCCN(c2cc(C)nc(-c3ccccn3)n2)CC1 ZINC000071905775 426001805 /nfs/dbraw/zinc/00/18/05/426001805.db2.gz FSSMHIXSOCPAKL-UHFFFAOYSA-N 1 1 311.433 2.769 50 0 DFAAMO CCOc1ccc(C[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000069434713 425939679 /nfs/dbraw/zinc/93/96/79/425939679.db2.gz YRHFQLAELLHMKK-UHFFFAOYSA-N 1 1 317.458 2.860 50 0 DFAAMO Cc1ncc2c(n1)C[N@@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000069454338 425941122 /nfs/dbraw/zinc/94/11/22/425941122.db2.gz ITZLFLLLAJAJEY-UHFFFAOYSA-N 1 1 305.385 2.529 50 0 DFAAMO Cc1ncc2c(n1)C[N@H+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000069454338 425941123 /nfs/dbraw/zinc/94/11/23/425941123.db2.gz ITZLFLLLAJAJEY-UHFFFAOYSA-N 1 1 305.385 2.529 50 0 DFAAMO Cc1ncsc1CC[NH+]1CCN(CCc2cccs2)CC1 ZINC000071915642 426004479 /nfs/dbraw/zinc/00/44/79/426004479.db2.gz VBKHNBADCANFLN-UHFFFAOYSA-N 1 1 321.515 2.916 50 0 DFAAMO CCOc1ccc2cc(C(=O)N3CCC[N@@H+](CC)CC3)[nH]c2c1 ZINC000069463194 425942332 /nfs/dbraw/zinc/94/23/32/425942332.db2.gz ZYVBDGAVBDWUBS-UHFFFAOYSA-N 1 1 315.417 2.734 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccc(OC)c1 ZINC000069517991 425944409 /nfs/dbraw/zinc/94/44/09/425944409.db2.gz RZDALRZSTGPRBN-MSOLQXFVSA-N 1 1 316.445 2.713 50 0 DFAAMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000069520912 425944997 /nfs/dbraw/zinc/94/49/97/425944997.db2.gz JCRSPGDWWLHTBY-HNNXBMFYSA-N 1 1 305.422 2.961 50 0 DFAAMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000069520912 425944999 /nfs/dbraw/zinc/94/49/99/425944999.db2.gz JCRSPGDWWLHTBY-HNNXBMFYSA-N 1 1 305.422 2.961 50 0 DFAAMO C[N@@H+](CCc1ccncc1)Cc1ccccc1N1CCOCC1 ZINC000069561898 425946013 /nfs/dbraw/zinc/94/60/13/425946013.db2.gz HRLJISCUZQRFTN-UHFFFAOYSA-N 1 1 311.429 2.593 50 0 DFAAMO Cc1ccc([C@@H](CNc2[nH+]cnc3[n-]ncc32)[NH+]2CCCC2)o1 ZINC000069566513 425946940 /nfs/dbraw/zinc/94/69/40/425946940.db2.gz XAQLRASGQLEWRV-CYBMUJFWSA-N 1 1 312.377 2.503 50 0 DFAAMO Cn1ccc2c1cccc2C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069592486 425949199 /nfs/dbraw/zinc/94/91/99/425949199.db2.gz UYTPEPSFRGLMMD-QZTJIDSGSA-N 1 1 311.429 2.877 50 0 DFAAMO Cn1ccc2c1cccc2C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069592490 425949627 /nfs/dbraw/zinc/94/96/27/425949627.db2.gz UYTPEPSFRGLMMD-MSOLQXFVSA-N 1 1 311.429 2.877 50 0 DFAAMO c1cnn(C[C@H]2CCCC[N@@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000069632044 425950193 /nfs/dbraw/zinc/95/01/93/425950193.db2.gz HWNSPMLEKLFCBO-CQSZACIVSA-N 1 1 313.361 2.581 50 0 DFAAMO c1cnn(C[C@H]2CCCC[N@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000069632044 425950196 /nfs/dbraw/zinc/95/01/96/425950196.db2.gz HWNSPMLEKLFCBO-CQSZACIVSA-N 1 1 313.361 2.581 50 0 DFAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000069620843 425950487 /nfs/dbraw/zinc/95/04/87/425950487.db2.gz ACRAXEXWXRWHQO-IAGOWNOFSA-N 1 1 320.408 2.680 50 0 DFAAMO Cn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000069659072 425951956 /nfs/dbraw/zinc/95/19/56/425951956.db2.gz OONDGLMMVKGECZ-ROUUACIJSA-N 1 1 311.429 2.877 50 0 DFAAMO Cn1cc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)c(F)c2)cn1 ZINC000069659036 425952041 /nfs/dbraw/zinc/95/20/41/425952041.db2.gz MFTIISYDWZSPAN-HOTGVXAUSA-N 1 1 307.344 2.569 50 0 DFAAMO CCn1c(=O)c2sccc2nc1SC[C@H]1CCC[N@@H+](C)C1 ZINC000069658146 425952341 /nfs/dbraw/zinc/95/23/41/425952341.db2.gz NSKZAXMOAFDVJC-NSHDSACASA-N 1 1 323.487 2.912 50 0 DFAAMO Cc1noc([C@H]2CCC[N@H+](CC(=O)c3c[nH]c4ccccc43)C2)n1 ZINC000069704349 425954132 /nfs/dbraw/zinc/95/41/32/425954132.db2.gz SNXMCRILVMPENJ-ZDUSSCGKSA-N 1 1 324.384 2.922 50 0 DFAAMO Cc1noc([C@H]2CCC[N@@H+](CC(=O)c3c[nH]c4ccccc43)C2)n1 ZINC000069704349 425954136 /nfs/dbraw/zinc/95/41/36/425954136.db2.gz SNXMCRILVMPENJ-ZDUSSCGKSA-N 1 1 324.384 2.922 50 0 DFAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000069770535 425956305 /nfs/dbraw/zinc/95/63/05/425956305.db2.gz LUAYGKYAXRMGCM-ZWKOTPCHSA-N 1 1 320.408 2.680 50 0 DFAAMO CC[N@H+](CC(=O)NCc1cc(C)no1)Cc1ccc(Cl)cc1 ZINC000069809861 425959308 /nfs/dbraw/zinc/95/93/08/425959308.db2.gz XMJILIZWZRXJLV-UHFFFAOYSA-N 1 1 321.808 2.775 50 0 DFAAMO CC[N@@H+](CC(=O)NCc1cc(C)no1)Cc1ccc(Cl)cc1 ZINC000069809861 425959311 /nfs/dbraw/zinc/95/93/11/425959311.db2.gz XMJILIZWZRXJLV-UHFFFAOYSA-N 1 1 321.808 2.775 50 0 DFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000069922178 425962574 /nfs/dbraw/zinc/96/25/74/425962574.db2.gz LLNDQUHBWADJRL-CYBMUJFWSA-N 1 1 303.431 2.913 50 0 DFAAMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000070007117 425965182 /nfs/dbraw/zinc/96/51/82/425965182.db2.gz VKUSSQJXOIPILT-INIZCTEOSA-N 1 1 315.841 2.574 50 0 DFAAMO O=C(C[N@H+]1CCC[C@H]1CCCO)Nc1cc(Cl)ccc1F ZINC000069976927 425965916 /nfs/dbraw/zinc/96/59/16/425965916.db2.gz HSKISZASNPRSES-LBPRGKRZSA-N 1 1 314.788 2.655 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@H]1CCCO)Nc1cc(Cl)ccc1F ZINC000069976927 425965920 /nfs/dbraw/zinc/96/59/20/425965920.db2.gz HSKISZASNPRSES-LBPRGKRZSA-N 1 1 314.788 2.655 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000070040735 425966176 /nfs/dbraw/zinc/96/61/76/425966176.db2.gz QBXVZJNEEFLYHH-MRXNPFEDSA-N 1 1 323.400 2.906 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000070040735 425966179 /nfs/dbraw/zinc/96/61/79/425966179.db2.gz QBXVZJNEEFLYHH-MRXNPFEDSA-N 1 1 323.400 2.906 50 0 DFAAMO CCc1noc(C[N@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC000070038004 425966379 /nfs/dbraw/zinc/96/63/79/425966379.db2.gz UDIVHAJUFUTONC-OAHLLOKOSA-N 1 1 321.396 2.963 50 0 DFAAMO CCc1noc(C[N@@H+](CC(C)C)C[C@@H](O)c2ccc(F)cc2)n1 ZINC000070038004 425966383 /nfs/dbraw/zinc/96/63/83/425966383.db2.gz UDIVHAJUFUTONC-OAHLLOKOSA-N 1 1 321.396 2.963 50 0 DFAAMO O=C(C[C@H]1CCCO1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000106833027 425975460 /nfs/dbraw/zinc/97/54/60/425975460.db2.gz MQOHATDNKJOHBF-ZWKOTPCHSA-N 1 1 316.445 2.584 50 0 DFAAMO CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000106853303 425976742 /nfs/dbraw/zinc/97/67/42/425976742.db2.gz DAOSKGOFMABGLY-CABCVRRESA-N 1 1 324.490 2.544 50 0 DFAAMO Cc1cnn(CC[NH2+]Cc2coc(-c3ccc(F)cc3)n2)c1 ZINC000075131710 426063317 /nfs/dbraw/zinc/06/33/17/426063317.db2.gz KBUBNGVRQKZJSQ-UHFFFAOYSA-N 1 1 300.337 2.775 50 0 DFAAMO CC(C)NC(=O)Cc1ccc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000108101885 426010613 /nfs/dbraw/zinc/01/06/13/426010613.db2.gz JCZMIJJXGXCGLB-MAUKXSAKSA-N 1 1 317.477 2.894 50 0 DFAAMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cnc(C)s1 ZINC000072268698 426010683 /nfs/dbraw/zinc/01/06/83/426010683.db2.gz CLEYTLDQPOJOGE-LSDHHAIUSA-N 1 1 307.463 2.817 50 0 DFAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCc1nnc(C(C)C)o1 ZINC000076094117 426098890 /nfs/dbraw/zinc/09/88/90/426098890.db2.gz FUBOWJFZUXNSCG-AWEZNQCLSA-N 1 1 322.453 2.506 50 0 DFAAMO Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077440012 426133983 /nfs/dbraw/zinc/13/39/83/426133983.db2.gz PBPXOCZSXVOXIT-GOSISDBHSA-N 1 1 316.445 2.849 50 0 DFAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000077471721 426135708 /nfs/dbraw/zinc/13/57/08/426135708.db2.gz XSZZGYIJEYAPOX-OAHLLOKOSA-N 1 1 303.431 2.734 50 0 DFAAMO CNC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000075831615 426084843 /nfs/dbraw/zinc/08/48/43/426084843.db2.gz WYIORYDHTLCIDV-GOSISDBHSA-N 1 1 316.445 2.970 50 0 DFAAMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)c(O)co2)c1 ZINC000075838770 426086161 /nfs/dbraw/zinc/08/61/61/426086161.db2.gz DWMLUXKNJPQIJB-INIZCTEOSA-N 1 1 314.385 2.749 50 0 DFAAMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)c(O)co2)c1 ZINC000075838770 426086164 /nfs/dbraw/zinc/08/61/64/426086164.db2.gz DWMLUXKNJPQIJB-INIZCTEOSA-N 1 1 314.385 2.749 50 0 DFAAMO Cc1c[nH+]cn1C1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000170619085 426140156 /nfs/dbraw/zinc/14/01/56/426140156.db2.gz UVKPSJOGBANKJG-UHFFFAOYSA-N 1 1 319.355 2.876 50 0 DFAAMO CCc1cccc(OC2CN(C(=O)[C@H]3CCCCC[N@H+]3C)C2)c1 ZINC000082091416 426227587 /nfs/dbraw/zinc/22/75/87/426227587.db2.gz JTXUUCKKFGDNIS-GOSISDBHSA-N 1 1 316.445 2.713 50 0 DFAAMO Cc1nnc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)n1C1CC1 ZINC000173838866 426249132 /nfs/dbraw/zinc/24/91/32/426249132.db2.gz FFAQABNFHUFKFC-INIZCTEOSA-N 1 1 304.438 2.845 50 0 DFAAMO Cc1nnc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1C1CC1 ZINC000173838866 426249135 /nfs/dbraw/zinc/24/91/35/426249135.db2.gz FFAQABNFHUFKFC-INIZCTEOSA-N 1 1 304.438 2.845 50 0 DFAAMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Br)cn3)CC[C@@H]21 ZINC000089375378 426288034 /nfs/dbraw/zinc/28/80/34/426288034.db2.gz LKLHMKATGCRTMZ-YPMHNXCESA-N 1 1 310.239 2.765 50 0 DFAAMO COc1ccc(OC)c([C@H](O)CNc2cc[nH+]cc2Cl)c1 ZINC000089432550 426290621 /nfs/dbraw/zinc/29/06/21/426290621.db2.gz XUFGGJZRNJADTG-CQSZACIVSA-N 1 1 308.765 2.898 50 0 DFAAMO Cc1cn2nc(N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)sc2n1 ZINC000089702182 426303618 /nfs/dbraw/zinc/30/36/18/426303618.db2.gz 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426345089 /nfs/dbraw/zinc/34/50/89/426345089.db2.gz FXVRKHZQDLPTAS-RTBURBONSA-N 1 1 324.424 2.659 50 0 DFAAMO COCc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000092075638 426346884 /nfs/dbraw/zinc/34/68/84/426346884.db2.gz LHAYUNUHHFVSMH-IBGZPJMESA-N 1 1 324.424 2.896 50 0 DFAAMO CCOCC1CCN(C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000095367395 426367535 /nfs/dbraw/zinc/36/75/35/426367535.db2.gz GFFYVKUKENWFDO-KRWDZBQOSA-N 1 1 322.424 2.704 50 0 DFAAMO Cc1cc(C)nc(CN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000095361237 426367770 /nfs/dbraw/zinc/36/77/70/426367770.db2.gz RZWFHFHWVBEIHQ-QGZVFWFLSA-N 1 1 303.450 2.921 50 0 DFAAMO CCCn1ccnc1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095368297 426368515 /nfs/dbraw/zinc/36/85/15/426368515.db2.gz NQNNRWRWXODNOE-ZWKOTPCHSA-N 1 1 316.493 2.989 50 0 DFAAMO Cc1noc(C)c1CNC(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095361319 426368634 /nfs/dbraw/zinc/36/86/34/426368634.db2.gz OKENAQUXUCASPW-DOTOQJQBSA-N 1 1 319.449 2.952 50 0 DFAAMO CCc1c[nH+]c(N)nc1N1CCC(OC)(c2ccccc2)CC1 ZINC000095372597 426369237 /nfs/dbraw/zinc/36/92/37/426369237.db2.gz CXWXKFGEEZBOFG-UHFFFAOYSA-N 1 1 312.417 2.763 50 0 DFAAMO CCCCSc1nc(N[C@H](C)c2cnn(C)c2)cc(N)[nH+]1 ZINC000095379077 426369271 /nfs/dbraw/zinc/36/92/71/426369271.db2.gz YHXCOQWKEYEPAK-SNVBAGLBSA-N 1 1 306.439 2.858 50 0 DFAAMO CCCCSc1nc(N)cc(N[C@H](C)c2cnn(C)c2)[nH+]1 ZINC000095379077 426369275 /nfs/dbraw/zinc/36/92/75/426369275.db2.gz YHXCOQWKEYEPAK-SNVBAGLBSA-N 1 1 306.439 2.858 50 0 DFAAMO C[NH+](C)[C@@H](C(=O)NCCCc1ccncc1)c1cccc(F)c1 ZINC000095378955 426369592 /nfs/dbraw/zinc/36/95/92/426369592.db2.gz BOTVANYHOMWNLP-QGZVFWFLSA-N 1 1 315.392 2.572 50 0 DFAAMO COc1nccnc1N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000095378249 426369693 /nfs/dbraw/zinc/36/96/93/426369693.db2.gz XXCPKUXYFHXHLG-UHFFFAOYSA-N 1 1 301.394 2.647 50 0 DFAAMO O=C(NCCCc1ccco1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095373872 426369922 /nfs/dbraw/zinc/36/99/22/426369922.db2.gz HUDBVNSDCOTWIT-KRWDZBQOSA-N 1 1 313.401 2.561 50 0 DFAAMO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095381195 426370853 /nfs/dbraw/zinc/37/08/53/426370853.db2.gz GBSJMKLMXAPNEO-IAGOWNOFSA-N 1 1 309.413 2.751 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1Cn1ccc2c(ccc(OC)c2OC)c1=O ZINC000095382077 426370965 /nfs/dbraw/zinc/37/09/65/426370965.db2.gz JDFKCXMWTNSZDK-CYBMUJFWSA-N 1 1 316.401 2.503 50 0 DFAAMO CCn1nc(CNC(=O)[C@H]2CCCCC[N@H+]2C)c2ccccc21 ZINC000095383232 426371378 /nfs/dbraw/zinc/37/13/78/426371378.db2.gz CPAWZPNGFIRSAM-QGZVFWFLSA-N 1 1 314.433 2.547 50 0 DFAAMO CNC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000095410334 426372355 /nfs/dbraw/zinc/37/23/55/426372355.db2.gz WITLBDUGGZQIEW-ZDUSSCGKSA-N 1 1 311.223 2.722 50 0 DFAAMO CCOCC1(CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)CCC1 ZINC000095503717 426373728 /nfs/dbraw/zinc/37/37/28/426373728.db2.gz CJBNQVAXJKHAPB-KRWDZBQOSA-N 1 1 318.461 2.921 50 0 DFAAMO COCCC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095524389 426374036 /nfs/dbraw/zinc/37/40/36/426374036.db2.gz 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/nfs/dbraw/zinc/41/47/51/426414751.db2.gz GUVQLQFAIPIXGJ-ZDUSSCGKSA-N 1 1 300.324 2.672 50 0 DFAAMO CCOc1ncccc1C[NH2+]Cc1c(C)nc2sccn12 ZINC000096403858 426415284 /nfs/dbraw/zinc/41/52/84/426415284.db2.gz NYJCPWGCGNWZHI-UHFFFAOYSA-N 1 1 302.403 2.788 50 0 DFAAMO C[C@@H]1C[C@@H]([N@@H+](C)CCn2cccn2)CCN1Cc1ccccc1 ZINC000096414942 426418640 /nfs/dbraw/zinc/41/86/40/426418640.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 1 1 312.461 2.868 50 0 DFAAMO C[C@@H]1C[C@@H](N(C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414942 426418643 /nfs/dbraw/zinc/41/86/43/426418643.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 1 1 312.461 2.868 50 0 DFAAMO C[C@@H]1C[C@@H](N(C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414942 426418647 /nfs/dbraw/zinc/41/86/47/426418647.db2.gz AHDHPUAGZKBXTG-MJGOQNOKSA-N 1 1 312.461 2.868 50 0 DFAAMO CC[C@](C)([NH2+]CC(=O)N1CCc2ccccc21)c1nccs1 ZINC000096443429 426426914 /nfs/dbraw/zinc/42/69/14/426426914.db2.gz WMECZDDCSLRAKW-KRWDZBQOSA-N 1 1 315.442 2.947 50 0 DFAAMO Cc1nsc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000096455864 426430161 /nfs/dbraw/zinc/43/01/61/426430161.db2.gz IAJRXAJWTBVATL-BETUJISGSA-N 1 1 324.494 2.562 50 0 DFAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccsc1 ZINC000096494145 426435445 /nfs/dbraw/zinc/43/54/45/426435445.db2.gz TUNRBRGMRGUVIE-UHFFFAOYSA-N 1 1 311.451 2.570 50 0 DFAAMO C[C@H](NCC[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491278 426435839 /nfs/dbraw/zinc/43/58/39/426435839.db2.gz IDXPHEUFTGJFRC-HOCLYGCPSA-N 1 1 317.433 2.778 50 0 DFAAMO C[C@H](NCC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491278 426435843 /nfs/dbraw/zinc/43/58/43/426435843.db2.gz IDXPHEUFTGJFRC-HOCLYGCPSA-N 1 1 317.433 2.778 50 0 DFAAMO CCc1nnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)n1C ZINC000097033680 426440437 /nfs/dbraw/zinc/44/04/37/426440437.db2.gz XQUGPNGZZUSRMA-AWEZNQCLSA-N 1 1 313.449 2.829 50 0 DFAAMO CC[N@H+]1CC[C@@H](Nc2ccc(NC(C)=O)c(OC)c2)[C@H](C)C1 ZINC000097045631 426442280 /nfs/dbraw/zinc/44/22/80/426442280.db2.gz KJIGOCYCZAHMSQ-IUODEOHRSA-N 1 1 305.422 2.796 50 0 DFAAMO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC000097084198 426446867 /nfs/dbraw/zinc/44/68/67/426446867.db2.gz MNBHNHRHTMOSGU-WMLDXEAASA-N 1 1 306.425 2.995 50 0 DFAAMO O=C1N[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc3cccc(Cl)c3n1)C2 ZINC000097137844 426452773 /nfs/dbraw/zinc/45/27/73/426452773.db2.gz AOSJJHXCHFNCSG-OCCSQVGLSA-N 1 1 315.804 2.599 50 0 DFAAMO Cc1cccc(N2CCCN(C(=O)c3cccs3)CC2)[nH+]1 ZINC000097163302 426456092 /nfs/dbraw/zinc/45/60/92/426456092.db2.gz KTFSFYJRVAHELQ-UHFFFAOYSA-N 1 1 301.415 2.804 50 0 DFAAMO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200731 426457464 /nfs/dbraw/zinc/45/74/64/426457464.db2.gz NUSLWGFFJYVQOW-QWHCGFSZSA-N 1 1 313.405 2.837 50 0 DFAAMO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200731 426457468 /nfs/dbraw/zinc/45/74/68/426457468.db2.gz NUSLWGFFJYVQOW-QWHCGFSZSA-N 1 1 313.405 2.837 50 0 DFAAMO Cc1nc(C[N@@H+]2CC[C@@H](CNc3ccc(C)cn3)C2)oc1C ZINC000097200529 426458213 /nfs/dbraw/zinc/45/82/13/426458213.db2.gz ZNKFNWBBRZCUSN-HNNXBMFYSA-N 1 1 300.406 2.929 50 0 DFAAMO Cc1nc(C[N@H+]2CC[C@@H](CNc3ccc(C)cn3)C2)oc1C ZINC000097200529 426458216 /nfs/dbraw/zinc/45/82/16/426458216.db2.gz ZNKFNWBBRZCUSN-HNNXBMFYSA-N 1 1 300.406 2.929 50 0 DFAAMO Cc1nc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c(C)s1 ZINC000097295061 426462552 /nfs/dbraw/zinc/46/25/52/426462552.db2.gz IROWYKUESMIBPX-AWEZNQCLSA-N 1 1 301.415 2.547 50 0 DFAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2[nH]ccc2c1 ZINC000097547427 426468338 /nfs/dbraw/zinc/46/83/38/426468338.db2.gz TWMOYMRBHHKOEK-IBGZPJMESA-N 1 1 319.408 2.841 50 0 DFAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1ccc2[nH]ccc2c1 ZINC000097547427 426468341 /nfs/dbraw/zinc/46/83/41/426468341.db2.gz TWMOYMRBHHKOEK-IBGZPJMESA-N 1 1 319.408 2.841 50 0 DFAAMO Fc1ccc(-c2nc3c([nH]2)C[N@@H+]([C@H]2CCOC2)CC3)c(F)c1 ZINC000097551261 426468736 /nfs/dbraw/zinc/46/87/36/426468736.db2.gz VVQPIZYPOBCSPA-NSHDSACASA-N 1 1 305.328 2.502 50 0 DFAAMO Fc1ccc(-c2nc3c([nH]2)C[N@H+]([C@H]2CCOC2)CC3)c(F)c1 ZINC000097551261 426468739 /nfs/dbraw/zinc/46/87/39/426468739.db2.gz VVQPIZYPOBCSPA-NSHDSACASA-N 1 1 305.328 2.502 50 0 DFAAMO C[N@H+]1CCC[C@H](CCC(=O)NC(C)(C)Cc2ccc(O)cc2)C1 ZINC000097698870 426473659 /nfs/dbraw/zinc/47/36/59/426473659.db2.gz PHGLVORRLSDIJV-MRXNPFEDSA-N 1 1 318.461 2.952 50 0 DFAAMO COc1cccc(N2CC[N@H+](C[C@@H]3CC=CCC3)CC2=O)c1 ZINC000097743432 426473921 /nfs/dbraw/zinc/47/39/21/426473921.db2.gz QVUKHNGBESNPFY-OAHLLOKOSA-N 1 1 300.402 2.700 50 0 DFAAMO COc1cccc(N2CC[N@@H+](C[C@@H]3CC=CCC3)CC2=O)c1 ZINC000097743432 426473925 /nfs/dbraw/zinc/47/39/25/426473925.db2.gz QVUKHNGBESNPFY-OAHLLOKOSA-N 1 1 300.402 2.700 50 0 DFAAMO c1nc(C2CC[NH+](Cc3nc4c(s3)CCCC4)CC2)no1 ZINC000097785127 426474927 /nfs/dbraw/zinc/47/49/27/426474927.db2.gz RTMDWPVUOMMQPH-UHFFFAOYSA-N 1 1 304.419 2.785 50 0 DFAAMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)c(O)co2)C12CCCCC2 ZINC000098013276 426475419 /nfs/dbraw/zinc/47/54/19/426475419.db2.gz AKYNVEFIWXWNNV-DLBZAZTESA-N 1 1 321.417 2.905 50 0 DFAAMO CCc1nc(C)sc1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000215006002 426548673 /nfs/dbraw/zinc/54/86/73/426548673.db2.gz RVBCGHCVPOQIPK-LLVKDONJSA-N 1 1 307.463 2.713 50 0 DFAAMO CCc1nc(C)sc1C(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000215006002 426548679 /nfs/dbraw/zinc/54/86/79/426548679.db2.gz RVBCGHCVPOQIPK-LLVKDONJSA-N 1 1 307.463 2.713 50 0 DFAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)CCc3cnn(C)c3)c2)n1 ZINC000214998344 426549284 /nfs/dbraw/zinc/54/92/84/426549284.db2.gz RLBURZRRHRKZBA-UHFFFAOYSA-N 1 1 323.444 2.897 50 0 DFAAMO COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C(C)C)C2)cc1C(=O)[O-] ZINC000215632082 426552532 /nfs/dbraw/zinc/55/25/32/426552532.db2.gz HTBMNWBPCYUDPS-HNNXBMFYSA-N 1 1 320.433 2.556 50 0 DFAAMO COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C(C)C)C2)cc1C(=O)[O-] ZINC000215632082 426552533 /nfs/dbraw/zinc/55/25/33/426552533.db2.gz HTBMNWBPCYUDPS-HNNXBMFYSA-N 1 1 320.433 2.556 50 0 DFAAMO COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C(C)C)C2)cc1C(=O)[O-] ZINC000215632082 426552537 /nfs/dbraw/zinc/55/25/37/426552537.db2.gz HTBMNWBPCYUDPS-HNNXBMFYSA-N 1 1 320.433 2.556 50 0 DFAAMO CCOc1ccc(C[N@H+]2CCCC[C@H]2CCOC)cc1CO ZINC000215293711 426552813 /nfs/dbraw/zinc/55/28/13/426552813.db2.gz VYNPAPNHAMWLJZ-KRWDZBQOSA-N 1 1 307.434 2.969 50 0 DFAAMO CCn1ncnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000215407692 426553872 /nfs/dbraw/zinc/55/38/72/426553872.db2.gz PMKMYWYLASIVMU-ZDUSSCGKSA-N 1 1 310.405 2.554 50 0 DFAAMO CCn1ncnc1C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000215407692 426553875 /nfs/dbraw/zinc/55/38/75/426553875.db2.gz PMKMYWYLASIVMU-ZDUSSCGKSA-N 1 1 310.405 2.554 50 0 DFAAMO C(C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1)N1CCCCC1 ZINC000177596231 426498280 /nfs/dbraw/zinc/49/82/80/426498280.db2.gz XORFTAFTDVBVTJ-SFHVURJKSA-N 1 1 310.482 2.522 50 0 DFAAMO COC[C@@H]1CCC[N@H+]1Cc1ccc(OCCn2ccnc2)cc1 ZINC000215449955 426554353 /nfs/dbraw/zinc/55/43/53/426554353.db2.gz CMULKULRTJMKOG-KRWDZBQOSA-N 1 1 315.417 2.573 50 0 DFAAMO Cc1ccc(C[N@H+](C)CC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000220509568 426576246 /nfs/dbraw/zinc/57/62/46/426576246.db2.gz YHTTXIMEZSPILY-KRWDZBQOSA-N 1 1 304.434 2.502 50 0 DFAAMO Cc1ccc(C[N@@H+](C)CC(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000220509568 426576248 /nfs/dbraw/zinc/57/62/48/426576248.db2.gz YHTTXIMEZSPILY-KRWDZBQOSA-N 1 1 304.434 2.502 50 0 DFAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000221318862 426579417 /nfs/dbraw/zinc/57/94/17/426579417.db2.gz BKBUKDWDJGJXHE-HNNXBMFYSA-N 1 1 320.408 2.680 50 0 DFAAMO COc1cc2c(cc1C[NH+]1CCN(c3cccnc3)CC1)CCC2 ZINC000215975766 426555724 /nfs/dbraw/zinc/55/57/24/426555724.db2.gz XCXMMMOPQDBNCH-UHFFFAOYSA-N 1 1 323.440 2.901 50 0 DFAAMO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(OCCc2ccccc2)cc1 ZINC000215962984 426555789 /nfs/dbraw/zinc/55/57/89/426555789.db2.gz JKIYPSPATOOYPU-OAHLLOKOSA-N 1 1 312.413 2.614 50 0 DFAAMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(OCCc2ccccc2)cc1 ZINC000215962984 426555792 /nfs/dbraw/zinc/55/57/92/426555792.db2.gz JKIYPSPATOOYPU-OAHLLOKOSA-N 1 1 312.413 2.614 50 0 DFAAMO CSc1ccc(CN2CCC(O)(C[NH+]3CCCC3)CC2)cc1 ZINC000216281325 426557049 /nfs/dbraw/zinc/55/70/49/426557049.db2.gz WCWBNVFTFJJGRH-UHFFFAOYSA-N 1 1 320.502 2.831 50 0 DFAAMO COC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000229239001 426635798 /nfs/dbraw/zinc/63/57/98/426635798.db2.gz OWCMBRYDWPRFDR-ZWNOBZJWSA-N 1 1 307.312 2.585 50 0 DFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccccc2)on1 ZINC000229385766 426636134 /nfs/dbraw/zinc/63/61/34/426636134.db2.gz DKRWMEPTCGZZEN-ZBFHGGJFSA-N 1 1 311.385 2.698 50 0 DFAAMO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000229495422 426637076 /nfs/dbraw/zinc/63/70/76/426637076.db2.gz LCFZJYVQZUYMRY-UHOFOFEASA-N 1 1 308.397 2.537 50 0 DFAAMO COc1ccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000229636157 426638555 /nfs/dbraw/zinc/63/85/55/426638555.db2.gz DCWHGDATGBPTRG-KGLIPLIRSA-N 1 1 305.422 2.937 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000229806865 426641687 /nfs/dbraw/zinc/64/16/87/426641687.db2.gz JVPCVSWQSZPWIR-QMTHXVAHSA-N 1 1 303.233 2.663 50 0 DFAAMO C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000229806872 426641936 /nfs/dbraw/zinc/64/19/36/426641936.db2.gz JVPCVSWQSZPWIR-IINYFYTJSA-N 1 1 303.233 2.663 50 0 DFAAMO CO[C@H](C)c1cccc(NC(=O)N2CC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000230229805 426645328 /nfs/dbraw/zinc/64/53/28/426645328.db2.gz NKSKOKPMHPDENP-FRFSOERESA-N 1 1 317.433 2.952 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cncn2Cc2ccccc2)C1 ZINC000243892410 426722090 /nfs/dbraw/zinc/72/20/90/426722090.db2.gz AHWXMRWJFGYYFG-QGZVFWFLSA-N 1 1 324.472 2.990 50 0 DFAAMO Cc1nccn1CCC[N@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000240163608 426713206 /nfs/dbraw/zinc/71/32/06/426713206.db2.gz JCHDGFBLJYHWFT-MRXNPFEDSA-N 1 1 312.417 2.572 50 0 DFAAMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)NCc1ccc(F)cc1 ZINC000239338693 426713508 /nfs/dbraw/zinc/71/35/08/426713508.db2.gz KZAMPXOCVULETE-HOTGVXAUSA-N 1 1 304.409 2.954 50 0 DFAAMO COc1cccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1F ZINC000241213366 426714968 /nfs/dbraw/zinc/71/49/68/426714968.db2.gz KOIJAPOKBMVPAN-AWEZNQCLSA-N 1 1 303.381 2.947 50 0 DFAAMO O[C@H](C[C@@H]1COCC[N@@H+]1CCc1ccncc1)c1cccs1 ZINC000241383209 426717407 /nfs/dbraw/zinc/71/74/07/426717407.db2.gz MTIRBACQKRTCGZ-HZPDHXFCSA-N 1 1 318.442 2.510 50 0 DFAAMO O[C@H](C[C@@H]1COCC[N@H+]1CCc1ccncc1)c1cccs1 ZINC000241383209 426717410 /nfs/dbraw/zinc/71/74/10/426717410.db2.gz MTIRBACQKRTCGZ-HZPDHXFCSA-N 1 1 318.442 2.510 50 0 DFAAMO Cc1ccc2[nH]c(C[N@H+](C)CCC(=O)Nc3cccnc3)nc2c1 ZINC000243957167 426721843 /nfs/dbraw/zinc/72/18/43/426721843.db2.gz CHAPCDCZWNFQQG-UHFFFAOYSA-N 1 1 323.400 2.727 50 0 DFAAMO Cc1ccc2[nH]c(C[N@@H+](C)CCC(=O)Nc3cccnc3)nc2c1 ZINC000243957167 426721848 /nfs/dbraw/zinc/72/18/48/426721848.db2.gz CHAPCDCZWNFQQG-UHFFFAOYSA-N 1 1 323.400 2.727 50 0 DFAAMO Cc1ccc2nc(C[N@H+](C)CCC(=O)Nc3cccnc3)[nH]c2c1 ZINC000243957167 426721851 /nfs/dbraw/zinc/72/18/51/426721851.db2.gz CHAPCDCZWNFQQG-UHFFFAOYSA-N 1 1 323.400 2.727 50 0 DFAAMO Cc1ccc2nc(C[N@@H+](C)CCC(=O)Nc3cccnc3)[nH]c2c1 ZINC000243957167 426721855 /nfs/dbraw/zinc/72/18/55/426721855.db2.gz CHAPCDCZWNFQQG-UHFFFAOYSA-N 1 1 323.400 2.727 50 0 DFAAMO Cc1cc(C)cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000244584415 426723610 /nfs/dbraw/zinc/72/36/10/426723610.db2.gz CYYBDLBGRZSKSF-SFHVURJKSA-N 1 1 301.478 2.910 50 0 DFAAMO Cc1csc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000244691958 426724344 /nfs/dbraw/zinc/72/43/44/426724344.db2.gz JLWDVYRXIXLMAO-CYBMUJFWSA-N 1 1 323.462 2.671 50 0 DFAAMO Cc1csc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CCOCC3)C2)n1 ZINC000244691958 426724347 /nfs/dbraw/zinc/72/43/47/426724347.db2.gz JLWDVYRXIXLMAO-CYBMUJFWSA-N 1 1 323.462 2.671 50 0 DFAAMO CC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000244708051 426726759 /nfs/dbraw/zinc/72/67/59/426726759.db2.gz KMRADLLMFCKFED-CQSZACIVSA-N 1 1 319.449 2.684 50 0 DFAAMO C[N@H+]1CC[C@H]2CN(C(=O)CSc3ccc(Cl)cc3)C[C@H]21 ZINC000244866391 426728510 /nfs/dbraw/zinc/72/85/10/426728510.db2.gz VVJVUWUITKEBDW-SMDDNHRTSA-N 1 1 310.850 2.595 50 0 DFAAMO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCOc2ccccc2)[C@H]1C ZINC000245237768 426732294 /nfs/dbraw/zinc/73/22/94/426732294.db2.gz VTZICEVSZGJKPF-SOLBZPMBSA-N 1 1 318.461 2.938 50 0 DFAAMO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CCOc2ccccc2)[C@H]1C ZINC000245237768 426732297 /nfs/dbraw/zinc/73/22/97/426732297.db2.gz VTZICEVSZGJKPF-SOLBZPMBSA-N 1 1 318.461 2.938 50 0 DFAAMO CN(C)c1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245343990 426732792 /nfs/dbraw/zinc/73/27/92/426732792.db2.gz WVMYXLHPPPNVKY-DLBZAZTESA-N 1 1 324.490 2.540 50 0 DFAAMO CN(C)c1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245343990 426732795 /nfs/dbraw/zinc/73/27/95/426732795.db2.gz WVMYXLHPPPNVKY-DLBZAZTESA-N 1 1 324.490 2.540 50 0 DFAAMO Cc1nnc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000245339029 426733069 /nfs/dbraw/zinc/73/30/69/426733069.db2.gz QBJILTMHDMSISW-RHSMWYFYSA-N 1 1 314.433 2.720 50 0 DFAAMO O[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cnn3ccccc23)C1 ZINC000281699859 426748916 /nfs/dbraw/zinc/74/89/16/426748916.db2.gz GVUHDBODWFTPOS-SJLPKXTDSA-N 1 1 311.360 2.781 50 0 DFAAMO O[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cnn3ccccc23)C1 ZINC000281699859 426748921 /nfs/dbraw/zinc/74/89/21/426748921.db2.gz GVUHDBODWFTPOS-SJLPKXTDSA-N 1 1 311.360 2.781 50 0 DFAAMO CC(C)n1ccc(C[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245594170 426755789 /nfs/dbraw/zinc/75/57/89/426755789.db2.gz GYJDJPYJENXKIZ-JKSUJKDBSA-N 1 1 309.479 2.951 50 0 DFAAMO CC(C)n1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000245594170 426755793 /nfs/dbraw/zinc/75/57/93/426755793.db2.gz GYJDJPYJENXKIZ-JKSUJKDBSA-N 1 1 309.479 2.951 50 0 DFAAMO Cc1nc2c(n1[C@H]1CC[N@@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592036 426875929 /nfs/dbraw/zinc/87/59/29/426875929.db2.gz KHXOHCQFNMNPIF-INIZCTEOSA-N 1 1 301.434 2.664 50 0 DFAAMO Cc1nc2c(n1[C@@H]1CC[N@@H+](CC3=CCCOC3)C1)CCCC2 ZINC000275592041 426875988 /nfs/dbraw/zinc/87/59/88/426875988.db2.gz KHXOHCQFNMNPIF-MRXNPFEDSA-N 1 1 301.434 2.664 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccccc1F ZINC000248116873 426980529 /nfs/dbraw/zinc/98/05/29/426980529.db2.gz IZGXXZREXZVUFV-IAGOWNOFSA-N 1 1 304.409 2.844 50 0 DFAAMO CN(Cc1nccs1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328630508 426982745 /nfs/dbraw/zinc/98/27/45/426982745.db2.gz JKINMOIZMJLUNL-HOCLYGCPSA-N 1 1 302.447 2.663 50 0 DFAAMO C[N@@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCCN(c2ccccc2)C1 ZINC000248866171 427056187 /nfs/dbraw/zinc/05/61/87/427056187.db2.gz AZROZXIZXVXZOA-LSDHHAIUSA-N 1 1 316.367 2.901 50 0 DFAAMO C[C@@H]1C[N@@H+](CCCCc2ccccc2)C[C@H]1N1CCOCC1 ZINC000248572252 427017021 /nfs/dbraw/zinc/01/70/21/427017021.db2.gz ROJNVHIYULXJOP-IEBWSBKVSA-N 1 1 302.462 2.662 50 0 DFAAMO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000190427731 427106736 /nfs/dbraw/zinc/10/67/36/427106736.db2.gz IKFMBEAHYXRVKI-KBPBESRZSA-N 1 1 306.435 2.678 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCCc1ccccn1 ZINC000249693609 427137787 /nfs/dbraw/zinc/13/77/87/427137787.db2.gz ODXGWPRWSXMZEK-QZTJIDSGSA-N 1 1 315.461 2.880 50 0 DFAAMO COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NC1CCCCC1 ZINC000252500528 427182889 /nfs/dbraw/zinc/18/28/89/427182889.db2.gz SXGRRSABTVTSEL-SFHVURJKSA-N 1 1 318.461 2.625 50 0 DFAAMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000252500528 427182895 /nfs/dbraw/zinc/18/28/95/427182895.db2.gz SXGRRSABTVTSEL-SFHVURJKSA-N 1 1 318.461 2.625 50 0 DFAAMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CC1(CO)CCCC1 ZINC000252500520 427183573 /nfs/dbraw/zinc/18/35/73/427183573.db2.gz SXEQBNQRZPYZGE-HNNXBMFYSA-N 1 1 304.434 2.807 50 0 DFAAMO O=C1CCCN1CC[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC000252510061 427185103 /nfs/dbraw/zinc/18/51/03/427185103.db2.gz ZAXYZLYMTPUERE-UHFFFAOYSA-N 1 1 301.434 2.839 50 0 DFAAMO CC(C)c1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)[nH]n1 ZINC000252527988 427188532 /nfs/dbraw/zinc/18/85/32/427188532.db2.gz 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CCOc1ccccc1C[N@H+]1CCC[C@](CO)(CCOC)C1 ZINC000092061684 193150224 /nfs/dbraw/zinc/15/02/24/193150224.db2.gz FUMCULQJEMWVRX-SFHVURJKSA-N 1 1 307.434 2.696 50 0 DFAAMO Cc1nn(C)cc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336744 193232655 /nfs/dbraw/zinc/23/26/55/193232655.db2.gz MWMSWJFWJLSAAY-SFHVURJKSA-N 1 1 312.461 2.682 50 0 DFAAMO CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)s1 ZINC000093504877 193262231 /nfs/dbraw/zinc/26/22/31/193262231.db2.gz RHPAYJOOPHGBEA-HIFRSBDPSA-N 1 1 309.479 2.990 50 0 DFAAMO C[N@H+](Cc1cnc2ccc(Br)cn12)C[C@H]1CCOC1 ZINC000093839669 193316153 /nfs/dbraw/zinc/31/61/53/193316153.db2.gz AOARQMXWLDWAKN-LLVKDONJSA-N 1 1 324.222 2.565 50 0 DFAAMO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2ccc3c[nH]nc3c2)c1 ZINC000282403035 216970024 /nfs/dbraw/zinc/97/00/24/216970024.db2.gz CRPBNLUTKXKWQV-QFBILLFUSA-N 1 1 323.396 2.879 50 0 DFAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc21 ZINC000015521774 182005436 /nfs/dbraw/zinc/00/54/36/182005436.db2.gz RPIQTOCMTAGHIC-GOSISDBHSA-N 1 1 309.413 2.751 50 0 DFAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc21 ZINC000015521774 182005437 /nfs/dbraw/zinc/00/54/37/182005437.db2.gz RPIQTOCMTAGHIC-GOSISDBHSA-N 1 1 309.413 2.751 50 0 DFAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000015679405 182012570 /nfs/dbraw/zinc/01/25/70/182012570.db2.gz QDNLIYXIXYPCJV-UHFFFAOYSA-N 1 1 318.808 2.508 50 0 DFAAMO O=C(c1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016603761 182052171 /nfs/dbraw/zinc/05/21/71/182052171.db2.gz SGCLSRXSUWVRQG-UHFFFAOYSA-N 1 1 312.388 2.826 50 0 DFAAMO O=C(CCc1c[nH]c2ccccc12)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000019112163 182104821 /nfs/dbraw/zinc/10/48/21/182104821.db2.gz RMTMSQYHRYSJNV-MRXNPFEDSA-N 1 1 311.429 2.797 50 0 DFAAMO COc1ccccc1C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000019235028 182111009 /nfs/dbraw/zinc/11/10/09/182111009.db2.gz UKUQAZVNWGNCGZ-UHFFFAOYSA-N 1 1 324.424 2.962 50 0 DFAAMO O=C(c1cccnc1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019723115 182139672 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Fc1ccc(-n2cc(C[NH2+][C@H]3CCCc4c[nH]nc43)cn2)cc1 ZINC000095967398 426379101 /nfs/dbraw/zinc/37/91/01/426379101.db2.gz VUYWHMCUVNQGGW-INIZCTEOSA-N 1 1 311.364 2.902 50 0 DFAAMO CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1cccnc1 ZINC000095975947 426380801 /nfs/dbraw/zinc/38/08/01/426380801.db2.gz FNDOPUGMOOVYKM-CQSZACIVSA-N 1 1 317.462 2.936 50 0 DFAAMO COC(=O)c1sccc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000095981731 426382174 /nfs/dbraw/zinc/38/21/74/426382174.db2.gz LRANPBAGKDBPDV-JSGCOSHPSA-N 1 1 319.430 2.814 50 0 DFAAMO COC(=O)c1sccc1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000095981731 426382176 /nfs/dbraw/zinc/38/21/76/426382176.db2.gz LRANPBAGKDBPDV-JSGCOSHPSA-N 1 1 319.430 2.814 50 0 DFAAMO C[C@@H]1C[N@H+](Cc2ccn(C)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000096003623 426387388 /nfs/dbraw/zinc/38/73/88/426387388.db2.gz XQMPYSMIYUJVKS-ZIAGYGMSSA-N 1 1 307.438 2.855 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2ccn(C)c2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000096003623 426387392 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O=c1c(C[N@@H+]2CCC[C@@H](CO)C2)coc2ccc(Cl)cc12 ZINC000023281822 398424343 /nfs/dbraw/zinc/42/43/43/398424343.db2.gz BTXZFKMAFSKRMW-LLVKDONJSA-N 1 1 307.777 2.651 50 0 DFAAMO O=C(NC1(Cc2ccccc2)CC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000584891771 398427863 /nfs/dbraw/zinc/42/78/63/398427863.db2.gz KNVUCCHRVGBCSM-KRWDZBQOSA-N 1 1 313.445 2.641 50 0 DFAAMO CN(Cc1nccs1)C(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000584891956 398428106 /nfs/dbraw/zinc/42/81/06/398428106.db2.gz JIJITFFBOBQVDT-CYBMUJFWSA-N 1 1 322.478 2.549 50 0 DFAAMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000585134232 398434300 /nfs/dbraw/zinc/43/43/00/398434300.db2.gz JEBXVADZXAGETE-MYZSUADSSA-N 1 1 304.821 2.749 50 0 DFAAMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000585134232 398434302 /nfs/dbraw/zinc/43/43/02/398434302.db2.gz JEBXVADZXAGETE-MYZSUADSSA-N 1 1 304.821 2.749 50 0 DFAAMO CN(Cc1ncc[nH]1)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328645184 530025956 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C[N@H+](Cc1cc(C(N)=O)cs1)C[C@H]1CCc2nccn2C1 ZINC000328634969 398568894 /nfs/dbraw/zinc/56/88/94/398568894.db2.gz MZXCTMSKDUVQHC-LLVKDONJSA-N 1 1 304.419 2.522 50 0 DFAAMO C[C@@H]([NH2+]Cc1nnc(Cc2ccccc2)o1)[C@@H](C)n1cccn1 ZINC000069948392 398590476 /nfs/dbraw/zinc/59/04/76/398590476.db2.gz APBSLVCLHGJYOF-ZIAGYGMSSA-N 1 1 311.389 2.596 50 0 DFAAMO COc1ccc2cc([C@@H]3C[N@H+](CCCO)CCO3)ccc2c1 ZINC000071763971 191027737 /nfs/dbraw/zinc/02/77/37/191027737.db2.gz IWSNCHWVQVUNDJ-SFHVURJKSA-N 1 1 301.386 2.604 50 0 DFAAMO COc1ccc2cc([C@@H]3C[N@@H+](CCCO)CCO3)ccc2c1 ZINC000071763971 191027739 /nfs/dbraw/zinc/02/77/39/191027739.db2.gz IWSNCHWVQVUNDJ-SFHVURJKSA-N 1 1 301.386 2.604 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)NC1CC1 ZINC000072148452 191054946 /nfs/dbraw/zinc/05/49/46/191054946.db2.gz VQVWZNZVSSFXKG-HNNXBMFYSA-N 1 1 304.409 2.749 50 0 DFAAMO Fc1ccccc1CC[C@@H]1CCC[N@@H+](CCCn2cnnn2)C1 ZINC000072154165 191058538 /nfs/dbraw/zinc/05/85/38/191058538.db2.gz 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/nfs/dbraw/zinc/28/01/26/186280126.db2.gz FSEJMCHHVHYTPL-XJKSGUPXSA-N 1 1 300.406 2.680 50 0 DFAAMO Cc1nnc(N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000225603936 186281908 /nfs/dbraw/zinc/28/19/08/186281908.db2.gz FHTFFXWQVVHZJH-GFCCVEGCSA-N 1 1 323.491 2.570 50 0 DFAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC)nn2)C12CCCC2 ZINC000253392368 186303237 /nfs/dbraw/zinc/30/32/37/186303237.db2.gz JAUYZYFIJGSRCY-CABCVRRESA-N 1 1 305.422 2.655 50 0 DFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000097236844 398666929 /nfs/dbraw/zinc/66/69/29/398666929.db2.gz GJYZAZFFKAOFCP-CYBMUJFWSA-N 1 1 316.474 2.820 50 0 DFAAMO Cc1cc(NC[C@H]2Cc3ccccc3C[N@@H+]2C)n2nccc2n1 ZINC000072411576 191153401 /nfs/dbraw/zinc/15/34/01/191153401.db2.gz OUVYYYLCPMMGHY-MRXNPFEDSA-N 1 1 307.401 2.506 50 0 DFAAMO CCNc1nc(Nc2ccc(NC(=O)COC)cc2)cc(C)[nH+]1 ZINC000072434139 191165158 /nfs/dbraw/zinc/16/51/58/191165158.db2.gz HVYKQBJAWVERAS-UHFFFAOYSA-N 1 1 315.377 2.545 50 0 DFAAMO C[NH+](C)[C@@H](CNC(=O)CCCOc1ccccc1)c1ccco1 ZINC000003349179 181009811 /nfs/dbraw/zinc/00/98/11/181009811.db2.gz AYAYPVJNVOWBNT-INIZCTEOSA-N 1 1 316.401 2.858 50 0 DFAAMO C[NH+](C)[C@H](CNC(=O)CCCOc1ccccc1)c1ccco1 ZINC000003349180 181009964 /nfs/dbraw/zinc/00/99/64/181009964.db2.gz AYAYPVJNVOWBNT-MRXNPFEDSA-N 1 1 316.401 2.858 50 0 DFAAMO C[C@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000004028619 181064210 /nfs/dbraw/zinc/06/42/10/181064210.db2.gz BKZZOCHFQOSGEN-AWEZNQCLSA-N 1 1 311.429 2.785 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000110576468 398721475 /nfs/dbraw/zinc/72/14/75/398721475.db2.gz DOODRXCSYGWDOL-ZIAGYGMSSA-N 1 1 314.351 2.933 50 0 DFAAMO CCCC[N@@H+](C)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc21 ZINC000004163796 181080460 /nfs/dbraw/zinc/08/04/60/181080460.db2.gz NXMNNHKMNMBKIA-UHFFFAOYSA-N 1 1 315.417 2.507 50 0 DFAAMO COCC[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@@H](C)O ZINC000004457740 181110528 /nfs/dbraw/zinc/11/05/28/181110528.db2.gz PSIRUWLITWHENJ-OAHLLOKOSA-N 1 1 320.408 2.505 50 0 DFAAMO Cc1scc(C(=O)NN2CC[NH+](C)CC2)c1-c1ccccc1 ZINC000004749309 181147730 /nfs/dbraw/zinc/14/77/30/181147730.db2.gz NOECIZOOHHQRLW-UHFFFAOYSA-N 1 1 315.442 2.616 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000074325303 398740628 /nfs/dbraw/zinc/74/06/28/398740628.db2.gz NOWGKVALNFPLJH-SJORKVTESA-N 1 1 314.360 2.572 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000074325303 398740630 /nfs/dbraw/zinc/74/06/30/398740630.db2.gz NOWGKVALNFPLJH-SJORKVTESA-N 1 1 314.360 2.572 50 0 DFAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000004990141 181186128 /nfs/dbraw/zinc/18/61/28/181186128.db2.gz LVHBHBPUCYMFDY-CYBMUJFWSA-N 1 1 315.369 2.568 50 0 DFAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2coc3ccccc3c2=O)C1 ZINC000004990141 181186131 /nfs/dbraw/zinc/18/61/31/181186131.db2.gz LVHBHBPUCYMFDY-CYBMUJFWSA-N 1 1 315.369 2.568 50 0 DFAAMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)NCc1ccccc1 ZINC000075107711 398786692 /nfs/dbraw/zinc/78/66/92/398786692.db2.gz NYCGJDKIHAXZKA-INIZCTEOSA-N 1 1 323.440 2.643 50 0 DFAAMO Cc1cccc(NC2CCN(C(=O)NCC(F)(F)F)CC2)[nH+]1 ZINC000075141905 398788748 /nfs/dbraw/zinc/78/87/48/398788748.db2.gz GGTPZRDOLPVGNL-UHFFFAOYSA-N 1 1 316.327 2.538 50 0 DFAAMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036095246 283294714 /nfs/dbraw/zinc/29/47/14/283294714.db2.gz YDBUGGZYXVUXRE-KRWDZBQOSA-N 1 1 309.450 2.941 50 0 DFAAMO Cc1ccc(C)c([C@H](O)C[N@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC000076089488 398839202 /nfs/dbraw/zinc/83/92/02/398839202.db2.gz MRQUGIHLRBUSNL-GOSISDBHSA-N 1 1 312.413 2.568 50 0 DFAAMO CS[C@@H]1CCCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000076087236 398838612 /nfs/dbraw/zinc/83/86/12/398838612.db2.gz YYWBBZWOJBBFIJ-HUUCEWRRSA-N 1 1 324.494 2.945 50 0 DFAAMO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cn(C)nc1-c1ccccc1 ZINC000180414154 199155827 /nfs/dbraw/zinc/15/58/27/199155827.db2.gz ZTOLSCYQHXNOCL-RKVPGOIHSA-N 1 1 312.461 2.905 50 0 DFAAMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cn(C)nc1-c1ccccc1 ZINC000180414154 199155829 /nfs/dbraw/zinc/15/58/29/199155829.db2.gz ZTOLSCYQHXNOCL-RKVPGOIHSA-N 1 1 312.461 2.905 50 0 DFAAMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000180414154 199155830 /nfs/dbraw/zinc/15/58/30/199155830.db2.gz ZTOLSCYQHXNOCL-RKVPGOIHSA-N 1 1 312.461 2.905 50 0 DFAAMO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000188489150 200255547 /nfs/dbraw/zinc/25/55/47/200255547.db2.gz OYDFICHLSFWKCM-SECBINFHSA-N 1 1 317.202 2.717 50 0 DFAAMO C[C@H]1C[C@@H](CNC(=O)C(F)(F)Cl)C[N@H+]1Cc1ccccc1 ZINC000153125183 398934881 /nfs/dbraw/zinc/93/48/81/398934881.db2.gz CTUXDVLAONTJCP-AAEUAGOBSA-N 1 1 316.779 2.845 50 0 DFAAMO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C(C)C ZINC000195528751 201397942 /nfs/dbraw/zinc/39/79/42/201397942.db2.gz RZTWRRSTEYBCQR-YESZJQIVSA-N 1 1 321.461 2.967 50 0 DFAAMO C[C@@H](c1cccs1)[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000245316870 202515187 /nfs/dbraw/zinc/51/51/87/202515187.db2.gz KZVGNUFCXSOTED-UWVGGRQHSA-N 1 1 306.353 2.904 50 0 DFAAMO COC[C@@H]1C[N@H+](C)CC12CCN(Cc1ccc(F)cc1F)CC2 ZINC000169789830 399000984 /nfs/dbraw/zinc/00/09/84/399000984.db2.gz CDSQBRCXGOMTDS-HNNXBMFYSA-N 1 1 324.415 2.755 50 0 DFAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(Cc1ccc(F)cc1F)CC2 ZINC000169789830 399000987 /nfs/dbraw/zinc/00/09/87/399000987.db2.gz CDSQBRCXGOMTDS-HNNXBMFYSA-N 1 1 324.415 2.755 50 0 DFAAMO CNC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000169781806 399001908 /nfs/dbraw/zinc/00/19/08/399001908.db2.gz VMPVGQLKMNNHCU-HNNXBMFYSA-N 1 1 307.463 2.621 50 0 DFAAMO O=c1nc(C[NH+]2CCCCCC2)[nH]c2sc3c(c21)CCC3 ZINC000006594020 181358433 /nfs/dbraw/zinc/35/84/33/181358433.db2.gz LESTXFRLTQRIDY-UHFFFAOYSA-N 1 1 303.431 2.849 50 0 DFAAMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCC2(CC1)OCCO2 ZINC000170607092 399010502 /nfs/dbraw/zinc/01/05/02/399010502.db2.gz XPTBPNNQGOHUKS-MSOLQXFVSA-N 1 1 322.493 2.868 50 0 DFAAMO Cn1cnnc1C[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091284419 193030328 /nfs/dbraw/zinc/03/03/28/193030328.db2.gz SMYFJSQWESYSSU-AWEZNQCLSA-N 1 1 321.222 2.819 50 0 DFAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNc2nc(N)ncc2C)C1 ZINC000091327027 193042447 /nfs/dbraw/zinc/04/24/47/193042447.db2.gz BERVRFLWSBFJBQ-OAHLLOKOSA-N 1 1 311.433 2.610 50 0 DFAAMO c1coc(-c2cccc(-c3cn(CC[NH+]4CCOCC4)nn3)c2)c1 ZINC000091548158 193071928 /nfs/dbraw/zinc/07/19/28/193071928.db2.gz JTGUEPMVPZUHRT-UHFFFAOYSA-N 1 1 324.384 2.537 50 0 DFAAMO OC[C@@]1(CC2CC2)CCC[N@H+](C2CSCCSC2)C1 ZINC000091575374 193074750 /nfs/dbraw/zinc/07/47/50/193074750.db2.gz RIDZFKWSUAEWQV-OAHLLOKOSA-N 1 1 301.521 2.710 50 0 DFAAMO O=C1[C@H]2CC[C@H](C[N@H+](CCCCF)C2)N1Cc1ccccc1 ZINC000091644654 193083864 /nfs/dbraw/zinc/08/38/64/193083864.db2.gz UKYFGSRPUTWUJB-DLBZAZTESA-N 1 1 304.409 2.859 50 0 DFAAMO C[C@@H]1C[N@H+](Cc2c(Cl)cncc2Cl)C[C@@]1(O)C1CC1 ZINC000091706482 193095004 /nfs/dbraw/zinc/09/50/04/193095004.db2.gz BDTYEQBYAHBFMH-OTYXRUKQSA-N 1 1 301.217 2.981 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)C[C@@]1(O)C1CC1 ZINC000091706482 193095005 /nfs/dbraw/zinc/09/50/05/193095005.db2.gz BDTYEQBYAHBFMH-OTYXRUKQSA-N 1 1 301.217 2.981 50 0 DFAAMO c1nc2ncccn2c1C[N@@H+]1CCC[C@@H]1COc1ccccc1 ZINC000093364503 193240195 /nfs/dbraw/zinc/24/01/95/193240195.db2.gz UIOQZOOIWICMSH-OAHLLOKOSA-N 1 1 308.385 2.773 50 0 DFAAMO Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000015831488 182019838 /nfs/dbraw/zinc/01/98/38/182019838.db2.gz FZCFFAMVSFXNFX-MRXNPFEDSA-N 1 1 316.401 2.694 50 0 DFAAMO Cc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+](C)C)o1 ZINC000015860107 182022439 /nfs/dbraw/zinc/02/24/39/182022439.db2.gz KGRPHSHXLCUWKA-HNNXBMFYSA-N 1 1 320.364 2.525 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000016310665 182039361 /nfs/dbraw/zinc/03/93/61/182039361.db2.gz ONKTVYGKKCZWNY-RVKKMQEKSA-N 1 1 315.413 2.689 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000016310665 182039362 /nfs/dbraw/zinc/03/93/62/182039362.db2.gz ONKTVYGKKCZWNY-RVKKMQEKSA-N 1 1 315.413 2.689 50 0 DFAAMO Cc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c(C)o1 ZINC000016580772 182050819 /nfs/dbraw/zinc/05/08/19/182050819.db2.gz VSQXUYJGTSFGSA-UHFFFAOYSA-N 1 1 312.413 2.897 50 0 DFAAMO CC[NH+]1CCN(C(=O)COc2cc(C)ccc2C(C)C)CC1 ZINC000016604864 182052382 /nfs/dbraw/zinc/05/23/82/182052382.db2.gz KCTZBRBHJJROBG-UHFFFAOYSA-N 1 1 304.434 2.661 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000016662249 182056737 /nfs/dbraw/zinc/05/67/37/182056737.db2.gz RPWQXDQJMQKTLU-BFYDXBDKSA-N 1 1 321.461 2.833 50 0 DFAAMO CN(C[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(OC(F)F)c1 ZINC000019143705 182105865 /nfs/dbraw/zinc/10/58/65/182105865.db2.gz CQTIMEWBRHGJDC-ZDUSSCGKSA-N 1 1 312.360 2.844 50 0 DFAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019553147 182129524 /nfs/dbraw/zinc/12/95/24/182129524.db2.gz ZTMQLBHMZVHXLD-UHFFFAOYSA-N 1 1 310.397 2.653 50 0 DFAAMO C[NH+]1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 ZINC000019758977 182144589 /nfs/dbraw/zinc/14/45/89/182144589.db2.gz BTZVMGSLTPXRCG-UHFFFAOYSA-N 1 1 308.425 2.983 50 0 DFAAMO C[C@H]1CN(C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000019889908 182160799 /nfs/dbraw/zinc/16/07/99/182160799.db2.gz LAZNVXWGHHPATP-GJZGRUSLSA-N 1 1 306.425 2.899 50 0 DFAAMO COc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1CO ZINC000020451842 182218680 /nfs/dbraw/zinc/21/86/80/182218680.db2.gz IJXXPPASEYOZLN-UHFFFAOYSA-N 1 1 313.397 2.687 50 0 DFAAMO CCOc1ccccc1CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020453980 182219339 /nfs/dbraw/zinc/21/93/39/182219339.db2.gz LATOBVAQNALRJP-SFHVURJKSA-N 1 1 320.477 2.610 50 0 DFAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccoc1 ZINC000064521830 399226653 /nfs/dbraw/zinc/22/66/53/399226653.db2.gz IGOXNSNEJJNIKT-CYBMUJFWSA-N 1 1 304.415 2.983 50 0 DFAAMO COc1cc(C(C)=O)ccc1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020639359 182241068 /nfs/dbraw/zinc/24/10/68/182241068.db2.gz AAJZBRATEADHQX-KBPBESRZSA-N 1 1 321.417 2.776 50 0 DFAAMO C[N@H+]1CCN(Cc2cccc(OC3CCCC3)c2)C[C@@H]1CCO ZINC000020783617 182246475 /nfs/dbraw/zinc/24/64/75/182246475.db2.gz TWLPHMHWFYFLFB-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1CCO ZINC000020783617 182246478 /nfs/dbraw/zinc/24/64/78/182246478.db2.gz TWLPHMHWFYFLFB-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@@H]1CCO ZINC000020783617 182246480 /nfs/dbraw/zinc/24/64/80/182246480.db2.gz TWLPHMHWFYFLFB-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CCc2ccccc2)C[C@@H](C)O1 ZINC000021055190 182263791 /nfs/dbraw/zinc/26/37/91/182263791.db2.gz ITCSNHDGLAEVAU-HZPDHXFCSA-N 1 1 318.461 2.623 50 0 DFAAMO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)o1 ZINC000021057539 182264247 /nfs/dbraw/zinc/26/42/47/182264247.db2.gz ORYUIOJQQRPEGB-STQMWFEESA-N 1 1 308.422 2.514 50 0 DFAAMO Cc1ccccc1[C@@H](CC(=O)N1CC[NH+](C)CC1)n1cccc1 ZINC000020998703 182259057 /nfs/dbraw/zinc/25/90/57/182259057.db2.gz VWTYSLPMSYHWPQ-GOSISDBHSA-N 1 1 311.429 2.550 50 0 DFAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(CC(C)(C)CO)C1 ZINC000020999683 182259078 /nfs/dbraw/zinc/25/90/78/182259078.db2.gz CBEXKQVLOJJGLK-GOSISDBHSA-N 1 1 304.478 2.644 50 0 DFAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@H+](CC(C)(C)CO)C1 ZINC000020999683 182259080 /nfs/dbraw/zinc/25/90/80/182259080.db2.gz CBEXKQVLOJJGLK-GOSISDBHSA-N 1 1 304.478 2.644 50 0 DFAAMO CN(CCc1ccccc1)[C@@H]1CCC[N@@H+](CC(C)(C)CO)C1 ZINC000020999683 182259083 /nfs/dbraw/zinc/25/90/83/182259083.db2.gz CBEXKQVLOJJGLK-GOSISDBHSA-N 1 1 304.478 2.644 50 0 DFAAMO Cc1ccccc1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000022027976 182304276 /nfs/dbraw/zinc/30/42/76/182304276.db2.gz XAUJYNRKNCCAII-UHFFFAOYSA-N 1 1 308.425 2.973 50 0 DFAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)c(OC)c1C ZINC000022078320 182308087 /nfs/dbraw/zinc/30/80/87/182308087.db2.gz AXVYFBKTVIYUKR-GOEBONIOSA-N 1 1 304.434 2.681 50 0 DFAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000023280569 182355631 /nfs/dbraw/zinc/35/56/31/182355631.db2.gz LJFKAWQGWFKYSG-MRXNPFEDSA-N 1 1 306.409 2.955 50 0 DFAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)n1 ZINC000023095246 182347066 /nfs/dbraw/zinc/34/70/66/182347066.db2.gz NRXLNIQSJPDDLI-AWEZNQCLSA-N 1 1 309.479 2.563 50 0 DFAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)n1 ZINC000023095246 182347068 /nfs/dbraw/zinc/34/70/68/182347068.db2.gz NRXLNIQSJPDDLI-AWEZNQCLSA-N 1 1 309.479 2.563 50 0 DFAAMO OCC[C@H]1CN(Cc2c(F)cccc2F)CC[N@H+]1C1CCCC1 ZINC000023375563 182358825 /nfs/dbraw/zinc/35/88/25/182358825.db2.gz JBAWPGOSCVGGBV-HNNXBMFYSA-N 1 1 324.415 2.776 50 0 DFAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CO)c(C)o2)cc1C ZINC000023380358 182359051 /nfs/dbraw/zinc/35/90/51/182359051.db2.gz HMSPLUJWVMLRSE-HNNXBMFYSA-N 1 1 316.401 2.924 50 0 DFAAMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)N1Cc3ccccc3NC1=O)C2 ZINC000100380961 193799047 /nfs/dbraw/zinc/79/90/47/193799047.db2.gz NWXCDQHBVVPPTL-WDNDVIMCSA-N 1 1 315.373 2.796 50 0 in-vitro DFAAMO Cc1ccccc1-n1nnnc1C(C)(C)[NH2+]Cc1ccccc1 ZINC000035511672 182778803 /nfs/dbraw/zinc/77/88/03/182778803.db2.gz PMULABIZZLUXEW-UHFFFAOYSA-N 1 1 307.401 2.996 50 0 DFAAMO Cc1ccccc1CN1CC[N@@H+](CC(C)(C)C)[C@H](CCO)C1 ZINC000039398729 183018479 /nfs/dbraw/zinc/01/84/79/183018479.db2.gz IQBDHSHODVZGLZ-GOSISDBHSA-N 1 1 304.478 2.910 50 0 DFAAMO COc1cccc(CN2CC[N@@H+](CC(C)(C)C)C[C@H]2CCO)c1 ZINC000039404850 183018814 /nfs/dbraw/zinc/01/88/14/183018814.db2.gz BFXVPHCUZGKZTQ-QGZVFWFLSA-N 1 1 320.477 2.610 50 0 DFAAMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000040466346 183072439 /nfs/dbraw/zinc/07/24/39/183072439.db2.gz KNXJXVXBNVVMSK-GFCCVEGCSA-N 1 1 311.410 2.875 50 0 DFAAMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000040466346 183072443 /nfs/dbraw/zinc/07/24/43/183072443.db2.gz KNXJXVXBNVVMSK-GFCCVEGCSA-N 1 1 311.410 2.875 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000042359951 183258372 /nfs/dbraw/zinc/25/83/72/183258372.db2.gz CUWPNHRIUFBOEW-CYBMUJFWSA-N 1 1 310.825 2.580 50 0 DFAAMO CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000284673550 218126598 /nfs/dbraw/zinc/12/65/98/218126598.db2.gz XLDHAYOGTKNCGK-GOEBONIOSA-N 1 1 305.349 2.667 50 0 DFAAMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(-c2ccc(C)cc2)no1 ZINC000284771113 218170745 /nfs/dbraw/zinc/17/07/45/218170745.db2.gz XKVWQYBWXJXTRM-HOTGVXAUSA-N 1 1 316.401 2.886 50 0 DFAAMO Fc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883028 194156347 /nfs/dbraw/zinc/15/63/47/194156347.db2.gz MYIMBKZSZASQQF-GFCCVEGCSA-N 1 1 308.788 2.983 50 0 DFAAMO Fc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105883028 194156348 /nfs/dbraw/zinc/15/63/48/194156348.db2.gz MYIMBKZSZASQQF-GFCCVEGCSA-N 1 1 308.788 2.983 50 0 DFAAMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000105896282 194163383 /nfs/dbraw/zinc/16/33/83/194163383.db2.gz GZGNGYGYNQLEMQ-ZDUSSCGKSA-N 1 1 317.389 2.662 50 0 DFAAMO Cc1cc([C@H]2CCC[N@H+]2C[C@@H](O)COc2ccc(F)cc2)on1 ZINC000106108368 194185473 /nfs/dbraw/zinc/18/54/73/194185473.db2.gz HEVDXFIWXIRIAO-GDBMZVCRSA-N 1 1 320.364 2.699 50 0 DFAAMO CC1CCC2(CC1)NC(=O)N(C[N@@H+](C)C1CCCCC1)C2=O ZINC000056552570 184015691 /nfs/dbraw/zinc/01/56/91/184015691.db2.gz ZTAVQRMQYGRLOP-UHFFFAOYSA-N 1 1 307.438 2.709 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(F)(F)F ZINC000057159516 184028887 /nfs/dbraw/zinc/02/88/87/184028887.db2.gz TXXPEXGQCOTSSC-NSHDSACASA-N 1 1 300.324 2.920 50 0 DFAAMO COc1ccccc1C[NH2+]CC(=O)Nc1ccccc1C(C)=O ZINC000057273587 184031303 /nfs/dbraw/zinc/03/13/03/184031303.db2.gz OIMLMAKAIYIWDF-UHFFFAOYSA-N 1 1 312.369 2.626 50 0 DFAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(SC(F)F)cc1 ZINC000058161977 184082695 /nfs/dbraw/zinc/08/26/95/184082695.db2.gz YFUFSBJCDOUVGH-LLVKDONJSA-N 1 1 312.385 2.968 50 0 DFAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2cnn(C)c2)cc1)C(C)C ZINC000058277699 184098362 /nfs/dbraw/zinc/09/83/62/184098362.db2.gz SGEJBMRLTPSGJZ-UHFFFAOYSA-N 1 1 300.406 2.903 50 0 DFAAMO CCc1nc(CN(C)C(=O)C[N@H+](C)Cc2ccccc2)cs1 ZINC000058281901 184099225 /nfs/dbraw/zinc/09/92/25/184099225.db2.gz WHKCANBQCGEKIN-UHFFFAOYSA-N 1 1 317.458 2.796 50 0 DFAAMO CCc1nc(CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)cs1 ZINC000058281901 184099228 /nfs/dbraw/zinc/09/92/28/184099228.db2.gz WHKCANBQCGEKIN-UHFFFAOYSA-N 1 1 317.458 2.796 50 0 DFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000058308527 184103593 /nfs/dbraw/zinc/10/35/93/184103593.db2.gz WODAWPONJBWNHT-MRXNPFEDSA-N 1 1 316.445 2.936 50 0 DFAAMO CC(C)[N@@H+](C)CCCNC(=O)c1cnc(-c2ccccc2)nc1 ZINC000058308966 184103623 /nfs/dbraw/zinc/10/36/23/184103623.db2.gz HLHYKHCLFJFVKW-UHFFFAOYSA-N 1 1 312.417 2.604 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000058393743 184112412 /nfs/dbraw/zinc/11/24/12/184112412.db2.gz HZDORRVPQFRKRY-AWEZNQCLSA-N 1 1 303.406 2.743 50 0 DFAAMO CC[N@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000058597309 184124794 /nfs/dbraw/zinc/12/47/94/184124794.db2.gz JNBYOSDYFRRSKM-CYBMUJFWSA-N 1 1 321.364 2.714 50 0 DFAAMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000058597309 184124795 /nfs/dbraw/zinc/12/47/95/184124795.db2.gz JNBYOSDYFRRSKM-CYBMUJFWSA-N 1 1 321.364 2.714 50 0 DFAAMO COc1cc(Cl)ccc1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000063706132 184286832 /nfs/dbraw/zinc/28/68/32/184286832.db2.gz GZDMZHVGACSNRL-LBPRGKRZSA-N 1 1 310.825 2.809 50 0 DFAAMO CCc1[nH+]ccn1Cc1nc(-c2cccc(OC)c2OC)no1 ZINC000065224653 184315343 /nfs/dbraw/zinc/31/53/43/184315343.db2.gz JFFNKIOCAOISOS-UHFFFAOYSA-N 1 1 314.345 2.561 50 0 DFAAMO O=C(NC1CC1)[C@@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000065244305 184317619 /nfs/dbraw/zinc/31/76/19/184317619.db2.gz RDQLLCKCRNRNRX-CQSZACIVSA-N 1 1 306.837 2.873 50 0 DFAAMO C[N@@H+](Cc1nc(-c2cccnc2)no1)C1Cc2ccccc2C1 ZINC000065375198 184331432 /nfs/dbraw/zinc/33/14/32/184331432.db2.gz MFHRKJGHXFFRNW-UHFFFAOYSA-N 1 1 306.369 2.731 50 0 DFAAMO COc1ccc(C[NH2+][C@@H](C)C(=O)NC2CCCC2)c(F)c1F ZINC000065410602 184340246 /nfs/dbraw/zinc/34/02/46/184340246.db2.gz WVHPWPZYEDBVLB-JTQLQIEISA-N 1 1 312.360 2.510 50 0 DFAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000065425667 184342962 /nfs/dbraw/zinc/34/29/62/184342962.db2.gz YTWQPKSKESYMPJ-GFCCVEGCSA-N 1 1 315.373 2.613 50 0 DFAAMO Cc1ccc(-c2cc(C[N@H+](CC(N)=O)C3CCCC3)on2)cc1 ZINC000065473622 184350690 /nfs/dbraw/zinc/35/06/90/184350690.db2.gz HTPLLYDQEDTHJQ-UHFFFAOYSA-N 1 1 313.401 2.880 50 0 DFAAMO Cc1ccc(-c2cc(C[N@@H+](CC(N)=O)C3CCCC3)on2)cc1 ZINC000065473622 184350691 /nfs/dbraw/zinc/35/06/91/184350691.db2.gz HTPLLYDQEDTHJQ-UHFFFAOYSA-N 1 1 313.401 2.880 50 0 DFAAMO CC(=O)N(C)Cc1cc(C2=CCC[N@H+]([C@H]3C=CCCC3)C2)no1 ZINC000065405858 184338477 /nfs/dbraw/zinc/33/84/77/184338477.db2.gz JTZJISZPXGKMLK-INIZCTEOSA-N 1 1 315.417 2.851 50 0 DFAAMO CC(=O)c1c[nH]c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000065553766 184365635 /nfs/dbraw/zinc/36/56/35/184365635.db2.gz OBTOTOZZELJMOJ-UHFFFAOYSA-N 1 1 317.433 2.555 50 0 DFAAMO Cn1ncc2c1nc(C[N@@H+](C)C1CCCCCCC1)[nH]c2=O ZINC000065576318 184368306 /nfs/dbraw/zinc/36/83/06/184368306.db2.gz ZHHJGUVUKQJXCX-UHFFFAOYSA-N 1 1 303.410 2.614 50 0 DFAAMO CO[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000065591913 184369751 /nfs/dbraw/zinc/36/97/51/184369751.db2.gz SXURFYADUFNWTL-NVXWUHKLSA-N 1 1 304.434 2.611 50 0 DFAAMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000065591910 184370021 /nfs/dbraw/zinc/37/00/21/184370021.db2.gz NGPRLWWONMVADU-MRXNPFEDSA-N 1 1 312.417 2.595 50 0 DFAAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cc(NC(C)=O)ccc1C ZINC000065515497 184357832 /nfs/dbraw/zinc/35/78/32/184357832.db2.gz DXLDVFMBIMVKKV-CYBMUJFWSA-N 1 1 320.437 2.805 50 0 DFAAMO CCC[N@H+]1CCCN(C(=O)Nc2cc(OC)cc(OC)c2)CC1 ZINC000065622215 184374744 /nfs/dbraw/zinc/37/47/44/184374744.db2.gz KGWDKCFQVCNRPX-UHFFFAOYSA-N 1 1 321.421 2.653 50 0 DFAAMO CC1(C)C[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C(C)(C)O1 ZINC000119934214 195064954 /nfs/dbraw/zinc/06/49/54/195064954.db2.gz WPLLBTMEHRXBQI-CQSZACIVSA-N 1 1 300.406 2.703 50 0 DFAAMO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000156292835 197101709 /nfs/dbraw/zinc/10/17/09/197101709.db2.gz WJMYXUJOIPBANN-OAHLLOKOSA-N 1 1 305.422 2.879 50 0 DFAAMO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 ZINC000156292835 197101711 /nfs/dbraw/zinc/10/17/11/197101711.db2.gz WJMYXUJOIPBANN-OAHLLOKOSA-N 1 1 305.422 2.879 50 0 DFAAMO C[C@H](CNC(=O)CC[C@@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000046243589 542438944 /nfs/dbraw/zinc/43/89/44/542438944.db2.gz KPQSAEQTDFCMKY-HIFRSBDPSA-N 1 1 322.474 2.570 50 0 DFAAMO C[C@H](CNC(=O)CC[C@@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000046243589 542438949 /nfs/dbraw/zinc/43/89/49/542438949.db2.gz KPQSAEQTDFCMKY-HIFRSBDPSA-N 1 1 322.474 2.570 50 0 DFAAMO Cn1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000065287766 542457201 /nfs/dbraw/zinc/45/72/01/542457201.db2.gz HPQDYXCKBFXTEC-GFCCVEGCSA-N 1 1 308.788 2.987 50 0 DFAAMO Cc1nc2ccc(CC(=O)N3CCC[C@H](c4cc[nH]n4)C3)cc2[nH]1 ZINC000067723300 542458783 /nfs/dbraw/zinc/45/87/83/542458783.db2.gz LPMSMAREKRIVNH-AWEZNQCLSA-N 1 1 323.400 2.543 50 0 DFAAMO c1cc(C[N@H+]2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)co1 ZINC000065286818 542456696 /nfs/dbraw/zinc/45/66/96/542456696.db2.gz AJDXRMITUVLZAO-OAHLLOKOSA-N 1 1 309.373 2.839 50 0 DFAAMO c1cc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)co1 ZINC000065286818 542456697 /nfs/dbraw/zinc/45/66/97/542456697.db2.gz AJDXRMITUVLZAO-OAHLLOKOSA-N 1 1 309.373 2.839 50 0 DFAAMO c1cc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccnc4)[nH]3)C2)co1 ZINC000065286818 542456699 /nfs/dbraw/zinc/45/66/99/542456699.db2.gz AJDXRMITUVLZAO-OAHLLOKOSA-N 1 1 309.373 2.839 50 0 DFAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn3cccnc3n2)C12CCC2 ZINC000120900738 195259860 /nfs/dbraw/zinc/25/98/60/195259860.db2.gz KJVXYHWUONKGJW-CABCVRRESA-N 1 1 300.406 2.509 50 0 DFAAMO COc1ccc(C[N@H+]2CC[C@@H](CCO)C2)c(Br)c1 ZINC000347865263 257236653 /nfs/dbraw/zinc/23/66/53/257236653.db2.gz ZMPCVPKKFLAGRW-NSHDSACASA-N 1 1 314.223 2.662 50 0 DFAAMO C[C@@H](c1ccc(-c2nc(CO)cs2)cc1)[NH+]1CCOCC1 ZINC000426685222 257244233 /nfs/dbraw/zinc/24/42/33/257244233.db2.gz BKTAVOANMMCRIG-LBPRGKRZSA-N 1 1 304.415 2.696 50 0 DFAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cncn3C(C)C)[C@H]2C1 ZINC000426632820 257245538 /nfs/dbraw/zinc/24/55/38/257245538.db2.gz BTBIKPMKEZMUSA-YESZJQIVSA-N 1 1 307.438 2.622 50 0 DFAAMO Cc1ccc2nc(CCCNC(=O)[C@@]3(C)CCCO3)[nH]c2c1C ZINC000426580902 257245739 /nfs/dbraw/zinc/24/57/39/257245739.db2.gz BYTNWWZCBJYOGU-GOSISDBHSA-N 1 1 315.417 2.798 50 0 DFAAMO CCc1cnc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000426574795 257245899 /nfs/dbraw/zinc/24/58/99/257245899.db2.gz DUGRLZASUXLBRS-GOSISDBHSA-N 1 1 300.450 2.741 50 0 DFAAMO CN(Cc1cccc(O)c1)C(=O)NCCC[N@@H+](C)C1CCCC1 ZINC000426433928 257250016 /nfs/dbraw/zinc/25/00/16/257250016.db2.gz BBVHPWYTNHPTDS-UHFFFAOYSA-N 1 1 319.449 2.798 50 0 DFAAMO CN(C)c1nc(N2CCC(c3nc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000408512960 257255897 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/nfs/dbraw/zinc/86/87/96/425868796.db2.gz HMYVQFWFYVESFR-RTBURBONSA-N 1 1 324.424 2.962 50 0 DFAAMO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc(C)no1 ZINC000048326812 425874510 /nfs/dbraw/zinc/87/45/10/425874510.db2.gz YAMCYPXJCUUIKI-STQMWFEESA-N 1 1 317.389 2.978 50 0 DFAAMO Cc1csc(NC(=O)C[N@@H+](C)CCCc2ccccc2)n1 ZINC000048355878 425874933 /nfs/dbraw/zinc/87/49/33/425874933.db2.gz RTUFRRYPNFQTEM-UHFFFAOYSA-N 1 1 303.431 2.955 50 0 DFAAMO O=C(C[N@H+](Cc1ccco1)C1CCCC1)Nc1nncs1 ZINC000048375185 425875066 /nfs/dbraw/zinc/87/50/66/425875066.db2.gz GGQKWCMJKCODNS-UHFFFAOYSA-N 1 1 306.391 2.514 50 0 DFAAMO O=C(C[N@@H+](Cc1ccco1)C1CCCC1)Nc1nncs1 ZINC000048375185 425875067 /nfs/dbraw/zinc/87/50/67/425875067.db2.gz GGQKWCMJKCODNS-UHFFFAOYSA-N 1 1 306.391 2.514 50 0 DFAAMO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1nc(-c2cccs2)no1 ZINC000069415984 425938888 /nfs/dbraw/zinc/93/88/88/425938888.db2.gz MOOFGKOKZFVHBI-WDEREUQCSA-N 1 1 303.391 2.734 50 0 DFAAMO CN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@H]1CCC[N@H+]1C ZINC000071278701 425983884 /nfs/dbraw/zinc/98/38/84/425983884.db2.gz RRCOOHQNMHQTAY-OAHLLOKOSA-N 1 1 319.836 2.708 50 0 DFAAMO CN1CCC[C@@H]1C[N@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000071278701 425983887 /nfs/dbraw/zinc/98/38/87/425983887.db2.gz RRCOOHQNMHQTAY-OAHLLOKOSA-N 1 1 319.836 2.708 50 0 DFAAMO CN1CCC[C@@H]1C[N@@H+](C)Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000071278701 425983888 /nfs/dbraw/zinc/98/38/88/425983888.db2.gz RRCOOHQNMHQTAY-OAHLLOKOSA-N 1 1 319.836 2.708 50 0 DFAAMO CS[C@@H]1CCC[C@@H]1N(C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000107147313 425984231 /nfs/dbraw/zinc/98/42/31/425984231.db2.gz LXBPBLCADIOPAS-SOUVJXGZSA-N 1 1 313.511 2.786 50 0 DFAAMO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(-c2ccncc2)nc1 ZINC000071315578 425985891 /nfs/dbraw/zinc/98/58/91/425985891.db2.gz CBWCOXBSEBBQDT-QGZVFWFLSA-N 1 1 324.428 2.748 50 0 DFAAMO COCC[N@@H+]1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071775701 425988379 /nfs/dbraw/zinc/98/83/79/425988379.db2.gz DQLAUPDXBYLSJL-SFHVURJKSA-N 1 1 301.386 2.868 50 0 DFAAMO COCC[N@H+]1CCO[C@H](c2ccc3cc(OC)ccc3c2)C1 ZINC000071775701 425988381 /nfs/dbraw/zinc/98/83/81/425988381.db2.gz DQLAUPDXBYLSJL-SFHVURJKSA-N 1 1 301.386 2.868 50 0 DFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2csc(C)n2)C1 ZINC000071870663 425997593 /nfs/dbraw/zinc/99/75/93/425997593.db2.gz KIUAZGFQWVWFAS-CQSZACIVSA-N 1 1 318.446 2.617 50 0 DFAAMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000071880535 425998858 /nfs/dbraw/zinc/99/88/58/425998858.db2.gz HDXYCBLYQRAHGN-MSOLQXFVSA-N 1 1 316.445 2.979 50 0 DFAAMO C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC(n2ccnc2)CC1 ZINC000071904331 426002383 /nfs/dbraw/zinc/00/23/83/426002383.db2.gz JBHONFBSILCYPT-ZDUSSCGKSA-N 1 1 324.388 2.726 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000069452946 425941038 /nfs/dbraw/zinc/94/10/38/425941038.db2.gz PCLQUGDYBRDGMC-MRXNPFEDSA-N 1 1 318.396 2.577 50 0 DFAAMO CCOc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000069489425 425941571 /nfs/dbraw/zinc/94/15/71/425941571.db2.gz CQZDOTGSXOMFPC-DLBZAZTESA-N 1 1 302.418 2.784 50 0 DFAAMO C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069490879 425942613 /nfs/dbraw/zinc/94/26/13/425942613.db2.gz HOHMIPSKHRVAIE-SZMVWBNQSA-N 1 1 316.445 2.677 50 0 DFAAMO CCn1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2CC)c1C ZINC000069491809 425943022 /nfs/dbraw/zinc/94/30/22/425943022.db2.gz JEEMYDXPLXRQFC-JKSUJKDBSA-N 1 1 318.465 2.609 50 0 DFAAMO CCOc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1 ZINC000069528680 425945223 /nfs/dbraw/zinc/94/52/23/425945223.db2.gz ZMSPUUJIVVWXDO-MSOLQXFVSA-N 1 1 316.445 2.713 50 0 DFAAMO COc1cc2nc(C)sc2cc1NC(=O)C[N@@H+](C)C(C)C ZINC000069538375 425946276 /nfs/dbraw/zinc/94/62/76/425946276.db2.gz KAFSWFNKRFTQGS-UHFFFAOYSA-N 1 1 307.419 2.892 50 0 DFAAMO Cc1ccc([C@H](CNc2[nH+]cnc3[n-]ncc32)[NH+]2CCCC2)o1 ZINC000069566516 425946426 /nfs/dbraw/zinc/94/64/26/425946426.db2.gz XAQLRASGQLEWRV-ZDUSSCGKSA-N 1 1 312.377 2.503 50 0 DFAAMO O=C(NCc1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069588681 425948063 /nfs/dbraw/zinc/94/80/63/425948063.db2.gz GBEWHUZOMHNCRL-GOSISDBHSA-N 1 1 309.413 2.753 50 0 DFAAMO O=C(NCc1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069588681 425948067 /nfs/dbraw/zinc/94/80/67/425948067.db2.gz GBEWHUZOMHNCRL-GOSISDBHSA-N 1 1 309.413 2.753 50 0 DFAAMO Cn1ccc2c1cccc2C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069592477 425949090 /nfs/dbraw/zinc/94/90/90/425949090.db2.gz UYTPEPSFRGLMMD-ZWKOTPCHSA-N 1 1 311.429 2.877 50 0 DFAAMO O=C(C[N@H+]1CC[C@H](c2cccc(F)c2)C1)NCc1ccco1 ZINC000069615742 425949411 /nfs/dbraw/zinc/94/94/11/425949411.db2.gz KZJXEWCXZVUTHG-AWEZNQCLSA-N 1 1 302.349 2.524 50 0 DFAAMO O=C(C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)NCc1ccco1 ZINC000069615742 425949414 /nfs/dbraw/zinc/94/94/14/425949414.db2.gz KZJXEWCXZVUTHG-AWEZNQCLSA-N 1 1 302.349 2.524 50 0 DFAAMO Cc1[nH+]ccn1CCCNC(=O)COc1cccc(Cl)c1C ZINC000071914411 426004786 /nfs/dbraw/zinc/00/47/86/426004786.db2.gz MSCAXXHGYPOJHO-UHFFFAOYSA-N 1 1 321.808 2.739 50 0 DFAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(F)cc1 ZINC000069667115 425953591 /nfs/dbraw/zinc/95/35/91/425953591.db2.gz SKJBAIORVIUKJL-KRWDZBQOSA-N 1 1 312.388 2.931 50 0 DFAAMO COc1ccc(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)cc1F ZINC000069699877 425953989 /nfs/dbraw/zinc/95/39/89/425953989.db2.gz PUUOKQPUIOKEOX-HNNXBMFYSA-N 1 1 318.396 2.707 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000069770024 425956679 /nfs/dbraw/zinc/95/66/79/425956679.db2.gz FGLNUNLFBWTTJV-TVFCKZIOSA-N 1 1 313.445 2.660 50 0 DFAAMO Fc1ccc(OCCC[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000069773606 425956820 /nfs/dbraw/zinc/95/68/20/425956820.db2.gz ALTOKSNTKPNGQK-HNNXBMFYSA-N 1 1 318.396 2.598 50 0 DFAAMO CC[C@@H]1CN(CCO[C@@H]2CCCC[C@@H]2C)CC[N@H+]1CCOC ZINC000069840459 425960509 /nfs/dbraw/zinc/96/05/09/425960509.db2.gz XXGCSLUPIVLFFE-RCCFBDPRSA-N 1 1 312.498 2.624 50 0 DFAAMO CC[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@@H]2C)CCN1CCOC ZINC000069840459 425960513 /nfs/dbraw/zinc/96/05/13/425960513.db2.gz XXGCSLUPIVLFFE-RCCFBDPRSA-N 1 1 312.498 2.624 50 0 DFAAMO CC[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@@H]2C)CCN1CCOC ZINC000069840459 425960514 /nfs/dbraw/zinc/96/05/14/425960514.db2.gz XXGCSLUPIVLFFE-RCCFBDPRSA-N 1 1 312.498 2.624 50 0 DFAAMO COc1ccc(CC[N@H+]2CCC[C@@H]2Cn2nc(C)nc2C)cc1 ZINC000069842282 425960585 /nfs/dbraw/zinc/96/05/85/425960585.db2.gz HWPDFLVWUMPAAZ-QGZVFWFLSA-N 1 1 314.433 2.611 50 0 DFAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000125256555 425960994 /nfs/dbraw/zinc/96/09/94/425960994.db2.gz JUXMUJZQUCILKH-MRXNPFEDSA-N 1 1 310.401 2.636 50 0 DFAAMO Cc1nc(C)c(C(=O)O[C@@H](C[NH+]2CCCC2)C(F)(F)F)s1 ZINC000069946624 425963943 /nfs/dbraw/zinc/96/39/43/425963943.db2.gz VFLWWCGQOGKVQY-JTQLQIEISA-N 1 1 322.352 2.943 50 0 DFAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000069951701 425964320 /nfs/dbraw/zinc/96/43/20/425964320.db2.gz USDZCEVANCWRAK-GJZGRUSLSA-N 1 1 305.422 2.739 50 0 DFAAMO Cc1noc(C)c1CCC(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000070003986 425964789 /nfs/dbraw/zinc/96/47/89/425964789.db2.gz CCXUYSASEARQJE-HNNXBMFYSA-N 1 1 316.405 2.593 50 0 DFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccnc2)C1 ZINC000106839196 425975894 /nfs/dbraw/zinc/97/58/94/425975894.db2.gz XBALNODHOZDCGR-CABCVRRESA-N 1 1 304.438 2.562 50 0 DFAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000072149474 426011054 /nfs/dbraw/zinc/01/10/54/426011054.db2.gz CWIJLKNROUPUDT-MRXNPFEDSA-N 1 1 313.401 2.718 50 0 DFAAMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000072291826 426012591 /nfs/dbraw/zinc/01/25/91/426012591.db2.gz BMKCBXWQMLSVHH-WMZOPIPTSA-N 1 1 323.440 2.884 50 0 DFAAMO CCCc1cc(C(=O)NCCCNc2ccc(C)c[nH+]2)no1 ZINC000077471346 426135235 /nfs/dbraw/zinc/13/52/35/426135235.db2.gz UZOMMCSFXDJEDO-UHFFFAOYSA-N 1 1 302.378 2.563 50 0 DFAAMO COc1cccc(-c2cccc(C[N@H+]3CCOC[C@H](O)C3)c2)c1 ZINC000077470425 426135475 /nfs/dbraw/zinc/13/54/75/426135475.db2.gz GXYXAYOVQXUWEJ-GOSISDBHSA-N 1 1 313.397 2.555 50 0 DFAAMO COCC[N@H+]1CCCN(C(=O)C[C@@H](C)c2ccccc2F)CC1 ZINC000075582420 426078087 /nfs/dbraw/zinc/07/80/87/426078087.db2.gz KRIGCHWGZAYQEC-OAHLLOKOSA-N 1 1 322.424 2.500 50 0 DFAAMO CCCOc1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1OC ZINC000170595419 426139475 /nfs/dbraw/zinc/13/94/75/426139475.db2.gz RDVHEWHDTIGXCQ-ASSNKEHSSA-N 1 1 313.463 2.683 50 0 DFAAMO C[NH+](C)Cc1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000170606752 426140783 /nfs/dbraw/zinc/14/07/83/426140783.db2.gz VRXIQKIYRMLZMA-UHFFFAOYSA-N 1 1 310.357 2.772 50 0 DFAAMO C[NH+](C)CC(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000135248828 426211282 /nfs/dbraw/zinc/21/12/82/426211282.db2.gz JEXGNYSNKHRAOK-UHFFFAOYSA-N 1 1 322.368 2.922 50 0 DFAAMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c(C)n1Cc1ccco1 ZINC000089577971 426297647 /nfs/dbraw/zinc/29/76/47/426297647.db2.gz GDUNSCCLAMEXJR-AWEZNQCLSA-N 1 1 315.417 2.522 50 0 DFAAMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)c(C)n1Cc1ccco1 ZINC000089577971 426297649 /nfs/dbraw/zinc/29/76/49/426297649.db2.gz GDUNSCCLAMEXJR-AWEZNQCLSA-N 1 1 315.417 2.522 50 0 DFAAMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cnc2ccccn12 ZINC000089901178 426317178 /nfs/dbraw/zinc/31/71/78/426317178.db2.gz LVIDVILDFMXVIG-CYBMUJFWSA-N 1 1 318.421 2.679 50 0 DFAAMO Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000092028860 426346253 /nfs/dbraw/zinc/34/62/53/426346253.db2.gz NZUUAZJXNXDRFE-LSDHHAIUSA-N 1 1 304.459 2.889 50 0 DFAAMO Cc1ccc(CN(CCO)C(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000095356740 426366868 /nfs/dbraw/zinc/36/68/68/426366868.db2.gz ZUZAVEFGNBTCJH-GOSISDBHSA-N 1 1 318.461 2.580 50 0 DFAAMO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095356187 426367370 /nfs/dbraw/zinc/36/73/70/426367370.db2.gz ZZNAWRFFUQZSNR-PKOBYXMFSA-N 1 1 321.424 2.818 50 0 DFAAMO Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C(=O)[O-])c1cc(C)ccc1C ZINC000095363159 426367527 /nfs/dbraw/zinc/36/75/27/426367527.db2.gz BVVBRGHUFKECDA-INIZCTEOSA-N 1 1 301.390 2.566 50 0 DFAAMO Cc1[nH+]ccn1CC[N@H+](C)[C@H](C(=O)[O-])c1cc(C)ccc1C 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CCS(=O)(=O)CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000095398570 185353523 /nfs/dbraw/zinc/35/35/23/185353523.db2.gz KYSCVHSKUHDKNQ-UHFFFAOYSA-N 1 1 317.401 2.579 50 0 DFAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1NCc1ccsc1 ZINC000095428970 185362570 /nfs/dbraw/zinc/36/25/70/185362570.db2.gz SATQFKRCQXYIOQ-INIZCTEOSA-N 1 1 315.442 2.810 50 0 DFAAMO C[N@@H+]1Cc2ccc(NC(=O)C[C@@H]3CSCCS3)cc2C1 ZINC000095433574 185363981 /nfs/dbraw/zinc/36/39/81/185363981.db2.gz BZKQNCOOQHCISG-CQSZACIVSA-N 1 1 308.472 2.809 50 0 DFAAMO C[N@H+]1Cc2ccc(NC(=O)C[C@@H]3CSCCS3)cc2C1 ZINC000095433574 185363982 /nfs/dbraw/zinc/36/39/82/185363982.db2.gz BZKQNCOOQHCISG-CQSZACIVSA-N 1 1 308.472 2.809 50 0 DFAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(F)cc1F ZINC000095441911 185366374 /nfs/dbraw/zinc/36/63/74/185366374.db2.gz MGUBZYPGQFTAKL-ZYHUDNBSSA-N 1 1 314.401 2.579 50 0 DFAAMO CCOCOc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000095462185 185370915 /nfs/dbraw/zinc/37/09/15/185370915.db2.gz UHEJHKZYUPEJLR-UHFFFAOYSA-N 1 1 304.434 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ZINC000069872824 398587772 /nfs/dbraw/zinc/58/77/72/398587772.db2.gz KVZZKJCQIVKPLC-CQSZACIVSA-N 1 1 305.451 2.742 50 0 DFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2nc3cccnc3[nH]2)n1 ZINC000070039947 398591921 /nfs/dbraw/zinc/59/19/21/398591921.db2.gz SINJRGOGJASXLC-OAHLLOKOSA-N 1 1 324.432 2.826 50 0 DFAAMO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2nc3cccnc3[nH]2)n1 ZINC000070039947 398591927 /nfs/dbraw/zinc/59/19/27/398591927.db2.gz SINJRGOGJASXLC-OAHLLOKOSA-N 1 1 324.432 2.826 50 0 DFAAMO CC(C)[C@@H]1C[N@@H+](Cc2ccccn2)CCC(=O)N1CC1CC1 ZINC000071759722 191026234 /nfs/dbraw/zinc/02/62/34/191026234.db2.gz CHAIMFQBQYRNOK-KRWDZBQOSA-N 1 1 301.434 2.551 50 0 DFAAMO CC(C)=CC[N@H+]1CCC[C@H](c2n[nH]c(=O)n2-c2ccccc2)C1 ZINC000071755442 191024563 /nfs/dbraw/zinc/02/45/63/191024563.db2.gz BQRKJONMNZYIGA-HNNXBMFYSA-N 1 1 312.417 2.706 50 0 DFAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000072133267 191045705 /nfs/dbraw/zinc/04/57/05/191045705.db2.gz JUVVVWXLEWZIJV-CQSZACIVSA-N 1 1 315.446 2.813 50 0 DFAAMO Fc1ccc(CC[C@@H]2CCC[N@@H+](CCCn3cnnn3)C2)cc1 ZINC000072150174 191056568 /nfs/dbraw/zinc/05/65/68/191056568.db2.gz PPNFGSNXPUSVQZ-INIZCTEOSA-N 1 1 317.412 2.547 50 0 DFAAMO CCCCNC(=O)c1cc(NC[C@H]2CCCC[N@H+]2C)ccn1 ZINC000072153740 191057162 /nfs/dbraw/zinc/05/71/62/191057162.db2.gz DQZSUFGYTXIQOQ-OAHLLOKOSA-N 1 1 304.438 2.508 50 0 DFAAMO c1cncc(CO[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)c1 ZINC000072156674 191059508 /nfs/dbraw/zinc/05/95/08/191059508.db2.gz KLAHDPYKODFNLJ-MRXNPFEDSA-N 1 1 324.384 2.799 50 0 DFAAMO Cc1ccccc1OC1CCN(c2nc(C)nc3c2C[NH2+]C3)CC1 ZINC000072168577 191068448 /nfs/dbraw/zinc/06/84/48/191068448.db2.gz FFRYOUYVYGPPEG-UHFFFAOYSA-N 1 1 324.428 2.744 50 0 DFAAMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000093614372 398642508 /nfs/dbraw/zinc/64/25/08/398642508.db2.gz SNSYYERGNOVYRK-CVEARBPZSA-N 1 1 311.372 2.717 50 0 DFAAMO C=Cn1cc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000225583724 186280076 /nfs/dbraw/zinc/28/00/76/186280076.db2.gz 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COCC[N@H+](Cc1cccn1Cc1cccc(F)c1)C[C@H](C)O ZINC000004457739 181110670 /nfs/dbraw/zinc/11/06/70/181110670.db2.gz PSIRUWLITWHENJ-HNNXBMFYSA-N 1 1 320.408 2.505 50 0 DFAAMO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000113499552 398740294 /nfs/dbraw/zinc/74/02/94/398740294.db2.gz FLSQLTOLOXTMHM-MRXNPFEDSA-N 1 1 323.440 2.895 50 0 DFAAMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000113499552 398740298 /nfs/dbraw/zinc/74/02/98/398740298.db2.gz FLSQLTOLOXTMHM-MRXNPFEDSA-N 1 1 323.440 2.895 50 0 DFAAMO O=c1c(C[N@H+]2CCCC[C@H]2CO)coc2ccc(Cl)cc12 ZINC000004988852 181185793 /nfs/dbraw/zinc/18/57/93/181185793.db2.gz DXEHFWPVJUYHEG-ZDUSSCGKSA-N 1 1 307.777 2.793 50 0 DFAAMO O=c1c(C[N@@H+]2CCCC[C@H]2CO)coc2ccc(Cl)cc12 ZINC000004988852 181185794 /nfs/dbraw/zinc/18/57/94/181185794.db2.gz DXEHFWPVJUYHEG-ZDUSSCGKSA-N 1 1 307.777 2.793 50 0 DFAAMO Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H]2CCCC[C@@H]21 ZINC000074533953 398753040 /nfs/dbraw/zinc/75/30/40/398753040.db2.gz NEUADZVBPKGYFS-CVEARBPZSA-N 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CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000058196159 184086547 /nfs/dbraw/zinc/08/65/47/184086547.db2.gz OPTZYODUXNDKHC-OAHLLOKOSA-N 1 1 304.434 2.936 50 0 DFAAMO CCSCCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000058210175 184088755 /nfs/dbraw/zinc/08/87/55/184088755.db2.gz XUZPIOFOCMYJMV-UHFFFAOYSA-N 1 1 322.474 2.643 50 0 DFAAMO NC(=O)NC(=O)CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000058137470 184079881 /nfs/dbraw/zinc/07/98/81/184079881.db2.gz SSGWSJZTQLUPEC-INIZCTEOSA-N 1 1 311.385 2.562 50 0 DFAAMO Cc1nc2ccccc2n1C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000058137172 184079934 /nfs/dbraw/zinc/07/99/34/184079934.db2.gz MUDANPLNCNGAEN-SFHVURJKSA-N 1 1 321.424 2.764 50 0 DFAAMO C[C@H](SCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000058159322 184081953 /nfs/dbraw/zinc/08/19/53/184081953.db2.gz CJEGRFVGHSKPCU-DZGCQCFKSA-N 1 1 304.459 2.661 50 0 DFAAMO COc1c(C[NH2+]Cc2ccc3c(c2)OCO3)c(C(C)C)nn1C ZINC000058391405 184111171 /nfs/dbraw/zinc/11/11/71/184111171.db2.gz FQEQDXRZFJAKIT-UHFFFAOYSA-N 1 1 317.389 2.571 50 0 DFAAMO CCN(C(=O)c1cnccn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000058282441 184099708 /nfs/dbraw/zinc/09/97/08/184099708.db2.gz FODNHVCIMLLQIU-DOTOQJQBSA-N 1 1 324.428 2.774 50 0 DFAAMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000058405691 184113619 /nfs/dbraw/zinc/11/36/19/184113619.db2.gz BQEFHSDNWUBJJH-INIZCTEOSA-N 1 1 318.442 2.602 50 0 DFAAMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000058405691 184113621 /nfs/dbraw/zinc/11/36/21/184113621.db2.gz BQEFHSDNWUBJJH-INIZCTEOSA-N 1 1 318.442 2.602 50 0 DFAAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000058898787 184130804 /nfs/dbraw/zinc/13/08/04/184130804.db2.gz AQRFFRWOKPNDKF-OAHLLOKOSA-N 1 1 320.481 2.880 50 0 DFAAMO O=C(N[C@H]1COc2ccccc21)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058970995 184132911 /nfs/dbraw/zinc/13/29/11/184132911.db2.gz URSNQHPRVPGLDS-ZWKOTPCHSA-N 1 1 322.408 2.901 50 0 DFAAMO O[C@@H](C[NH+]1CCN(CCc2cccs2)CC1)c1ccccc1 ZINC000064352025 184295145 /nfs/dbraw/zinc/29/51/45/184295145.db2.gz QZNGGUNOVOPIGV-SFHVURJKSA-N 1 1 316.470 2.642 50 0 DFAAMO C=Cn1cc(C[C@@H]2CC[C@H](C[N@H+](C)Cc3cccnc3)O2)cn1 ZINC000065393756 184334355 /nfs/dbraw/zinc/33/43/55/184334355.db2.gz SITDADCEQCQSPT-ZWKOTPCHSA-N 1 1 312.417 2.601 50 0 DFAAMO Cc1cc(C)n2ncc(C[N@H+](C)[C@H](C)Cc3ccccn3)c2n1 ZINC000065370426 184329564 /nfs/dbraw/zinc/32/95/64/184329564.db2.gz CFOGROFFNXFJLT-CQSZACIVSA-N 1 1 309.417 2.804 50 0 DFAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000065477721 184352691 /nfs/dbraw/zinc/35/26/91/184352691.db2.gz RZZBRZHAHYOXNH-OAHLLOKOSA-N 1 1 310.401 2.636 50 0 DFAAMO CCc1nc(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)cs1 ZINC000065404601 184337885 /nfs/dbraw/zinc/33/78/85/184337885.db2.gz JOFXQHXWZNJFFG-MRXNPFEDSA-N 1 1 317.458 2.933 50 0 DFAAMO C[N@H+](Cc1cccn1-c1ncccn1)Cc1ccc(Cl)nc1 ZINC000065530724 184360802 /nfs/dbraw/zinc/36/08/02/184360802.db2.gz XVVRRWWXLUDSHS-UHFFFAOYSA-N 1 1 313.792 2.948 50 0 DFAAMO C[N@@H+](Cc1cccn1-c1ncccn1)Cc1ccc(Cl)nc1 ZINC000065530724 184360805 /nfs/dbraw/zinc/36/08/05/184360805.db2.gz XVVRRWWXLUDSHS-UHFFFAOYSA-N 1 1 313.792 2.948 50 0 DFAAMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000065513565 184358061 /nfs/dbraw/zinc/35/80/61/184358061.db2.gz KGFPVYHWMJWYRO-LLVKDONJSA-N 1 1 301.394 2.621 50 0 DFAAMO Cc1c(Cl)cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000067458758 184467851 /nfs/dbraw/zinc/46/78/51/184467851.db2.gz HCISQQVQCXYMIZ-JTQLQIEISA-N 1 1 301.217 2.983 50 0 DFAAMO Cc1nn(C)cc1CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000158872455 197307250 /nfs/dbraw/zinc/30/72/50/197307250.db2.gz YDRUDCLPKAWSDE-RMKNXTFCSA-N 1 1 310.445 2.560 50 0 DFAAMO CCn1c([C@H]2CC[N@@H+](Cc3cccn3C)C2)nc2cccnc21 ZINC000065285344 542457015 /nfs/dbraw/zinc/45/70/15/542457015.db2.gz KLLLJMDQTQWTBI-AWEZNQCLSA-N 1 1 309.417 2.779 50 0 DFAAMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000514290142 257215227 /nfs/dbraw/zinc/21/52/27/257215227.db2.gz SPIGTLINBHIZRQ-YQQAZPJKSA-N 1 1 322.474 2.551 50 0 biogenic,in-vitro DFAAMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CCC(C)C)CC[C@@]1(C)O ZINC000514289616 257215337 /nfs/dbraw/zinc/21/53/37/257215337.db2.gz MGFWPQKIORGEMX-GBESFXJTSA-N 1 1 318.461 2.735 50 0 biogenic,in-vitro DFAAMO CN(CCC1(O)CCCC1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095376912 257271974 /nfs/dbraw/zinc/27/19/74/257271974.db2.gz OMPIZATVWJETJD-INIZCTEOSA-N 1 1 322.424 2.582 50 0 DFAAMO Cc1cc(C)n2ncc(C[N@@H+](C)CC[C@@H](O)c3ccccc3)c2n1 ZINC000216479424 257273180 /nfs/dbraw/zinc/27/31/80/257273180.db2.gz QIDNIKKSLSICHK-GOSISDBHSA-N 1 1 324.428 2.902 50 0 DFAAMO CO[C@@H](C[NH2+][C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 ZINC000338565337 257237041 /nfs/dbraw/zinc/23/70/41/257237041.db2.gz XGKDBVPMKZKHIL-PBHICJAKSA-N 1 1 323.400 2.701 50 0 DFAAMO CO[C@H](C[NH2+][C@H](C)c1nnnn1-c1ccccc1)c1ccccc1 ZINC000338565339 257237147 /nfs/dbraw/zinc/23/71/47/257237147.db2.gz XGKDBVPMKZKHIL-RHSMWYFYSA-N 1 1 323.400 2.701 50 0 DFAAMO CC(C)c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(O)c(=O)c1 ZINC000521396923 257240561 /nfs/dbraw/zinc/24/05/61/257240561.db2.gz GWHPFUDFKQOXQS-AWEZNQCLSA-N 1 1 317.429 2.877 50 0 DFAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCCC1 ZINC000426652925 257244520 /nfs/dbraw/zinc/24/45/20/257244520.db2.gz MJTGVLFZWVXEPK-QGZVFWFLSA-N 1 1 301.434 2.671 50 0 DFAAMO COc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)ccc1F ZINC000426571342 257246828 /nfs/dbraw/zinc/24/68/28/257246828.db2.gz BKTNLIDAJMZYJC-JCGIZDLHSA-N 1 1 323.408 2.993 50 0 DFAAMO CO[C@]12CC[N@@H+](Cc3ccc4[nH]ccc4c3)[C@H]1C[C@@H](O)CC2 ZINC000426470895 257249024 /nfs/dbraw/zinc/24/90/24/257249024.db2.gz SSSGZCIQCXGYBB-RYQLBKOJSA-N 1 1 300.402 2.672 50 0 DFAAMO Cc1cnccc1-c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000426420045 257251794 /nfs/dbraw/zinc/25/17/94/257251794.db2.gz MSEHIIYPWSWPFC-SFHVURJKSA-N 1 1 321.424 2.977 50 0 DFAAMO CC(C)=CC[N@@H+]1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426361282 257253220 /nfs/dbraw/zinc/25/32/20/257253220.db2.gz MEWKEYFIKWVFAG-MRXNPFEDSA-N 1 1 317.481 2.557 50 0 DFAAMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC3(CS(C)(=O)=O)CC3)C2)cc1 ZINC000408514827 257255943 /nfs/dbraw/zinc/25/59/43/257255943.db2.gz XDPLQOKYYYQEOA-WBVHZDCISA-N 1 1 321.486 2.998 50 0 DFAAMO Cc1ccc(Oc2ncc(CN3CC[NH+](C)CC3)s2)cc1 ZINC000020219033 257268900 /nfs/dbraw/zinc/26/89/00/257268900.db2.gz ASPOBNAWQARVKG-UHFFFAOYSA-N 1 1 303.431 2.991 50 0 DFAAMO NC(=O)N1CCC[N@@H+](Cc2cccc(-c3ccccc3)c2)CC1 ZINC000092754258 542549962 /nfs/dbraw/zinc/54/99/62/542549962.db2.gz OEBZLNHTMNVSJA-UHFFFAOYSA-N 1 1 309.413 2.940 50 0 DFAAMO Cc1nn2c(nc(C[N@H+](C)C3CCCCCC3)cc2=O)s1 ZINC000052331417 425884085 /nfs/dbraw/zinc/88/40/85/425884085.db2.gz TXGMTDATHGQGAD-UHFFFAOYSA-N 1 1 306.435 2.614 50 0 DFAAMO CCn1cc(CN2CCC[N@@H+](Cc3ccc(C)s3)CC2)cn1 ZINC000121617679 195317057 /nfs/dbraw/zinc/31/70/57/195317057.db2.gz DXRQUFKTKFQRMP-UHFFFAOYSA-N 1 1 318.490 2.981 50 0 DFAAMO Cc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nn1C ZINC000133170799 542645488 /nfs/dbraw/zinc/64/54/88/542645488.db2.gz IKIBJDKQBJYYKX-INIZCTEOSA-N 1 1 312.417 2.722 50 0 DFAAMO Cc1cc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)nn1C ZINC000133170799 542645491 /nfs/dbraw/zinc/64/54/91/542645491.db2.gz IKIBJDKQBJYYKX-INIZCTEOSA-N 1 1 312.417 2.722 50 0 DFAAMO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1F)c1ccncc1 ZINC000170086085 542756249 /nfs/dbraw/zinc/75/62/49/542756249.db2.gz XWHLDEKXAAAPQM-QGZVFWFLSA-N 1 1 302.349 2.789 50 0 DFAAMO CSc1ccccc1C[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000215989094 542874665 /nfs/dbraw/zinc/87/46/65/542874665.db2.gz XSRUXPZJGKDKMQ-CYBMUJFWSA-N 1 1 313.488 2.665 50 0 DFAAMO CSc1ccccc1C[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000215989094 542874670 /nfs/dbraw/zinc/87/46/70/542874670.db2.gz XSRUXPZJGKDKMQ-CYBMUJFWSA-N 1 1 313.488 2.665 50 0 DFAAMO COc1ccc(F)c(F)c1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000216082637 542875065 /nfs/dbraw/zinc/87/50/65/542875065.db2.gz CTWZTEYFFQVDGD-LLVKDONJSA-N 1 1 307.344 2.826 50 0 DFAAMO COc1ccc(F)c(F)c1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000216082637 542875067 /nfs/dbraw/zinc/87/50/67/542875067.db2.gz CTWZTEYFFQVDGD-LLVKDONJSA-N 1 1 307.344 2.826 50 0 DFAAMO COC(=O)c1ccccc1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246124531 146121706 /nfs/dbraw/zinc/12/17/06/146121706.db2.gz KNJZWOBEKLFZMC-WMLDXEAASA-N 1 1 313.401 2.753 50 0 DFAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)C1CCCC1 ZINC000053435788 287203426 /nfs/dbraw/zinc/20/34/26/287203426.db2.gz KQOQGUGYQTUHOF-CYBMUJFWSA-N 1 1 315.417 2.625 50 0 DFAAMO Cc1cc(C[N@H+](C)[C@H](C)C(N)=O)cc(C)c1OCC(F)(F)F ZINC000054394348 425890198 /nfs/dbraw/zinc/89/01/98/425890198.db2.gz UWFNLIOUQSGISE-LLVKDONJSA-N 1 1 318.339 2.550 50 0 DFAAMO CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)C1 ZINC000670441581 544041243 /nfs/dbraw/zinc/04/12/43/544041243.db2.gz FDCZDYRIYTTXNK-INIZCTEOSA-N 1 1 312.417 2.681 50 0 DFAAMO Cn1ccnc1[C@H]([NH2+]C1CSCCSC1)c1ccccc1 ZINC000670445941 544041802 /nfs/dbraw/zinc/04/18/02/544041802.db2.gz VCKBAEBRCQYVLM-OAHLLOKOSA-N 1 1 319.499 2.948 50 0 DFAAMO CN1C[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042663 /nfs/dbraw/zinc/04/26/63/544042663.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 1 1 324.472 2.848 50 0 DFAAMO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042667 /nfs/dbraw/zinc/04/26/67/544042667.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 1 1 324.472 2.848 50 0 DFAAMO C[N@H+]1C[C@@H]2CCC[C@H]1CN(Cc1ccccc1Cn1cccn1)C2 ZINC000670451560 544042670 /nfs/dbraw/zinc/04/26/70/544042670.db2.gz ILZCAEBLZYXPME-PXNSSMCTSA-N 1 1 324.472 2.848 50 0 DFAAMO CCc1[nH+]ccn1CCCNC(=O)C1=Cc2ccccc2OC=C1 ZINC000670456252 544043118 /nfs/dbraw/zinc/04/31/18/544043118.db2.gz IDIVGNLPQDBAIE-UHFFFAOYSA-N 1 1 323.396 2.942 50 0 DFAAMO Cc1ocnc1C(=O)NCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000670458286 544043183 /nfs/dbraw/zinc/04/31/83/544043183.db2.gz LCJBZPBZFXFVSO-INIZCTEOSA-N 1 1 313.401 2.592 50 0 DFAAMO Cc1nc(C(F)(F)F)ncc1CN(C)C[C@@H]1CCCC[N@H+]1C ZINC000670455621 544043253 /nfs/dbraw/zinc/04/32/53/544043253.db2.gz ZKWGOWWDUOFHFP-ZDUSSCGKSA-N 1 1 316.371 2.720 50 0 DFAAMO Cc1nncn1CC[N@H+]1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000670460935 544044563 /nfs/dbraw/zinc/04/45/63/544044563.db2.gz JVACIHPYUBCZSJ-QGZVFWFLSA-N 1 1 314.433 2.686 50 0 DFAAMO COCc1ccc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)o1 ZINC000299753616 229399855 /nfs/dbraw/zinc/39/98/55/229399855.db2.gz YUKUTNUDVXLQHH-CQSZACIVSA-N 1 1 315.417 2.948 50 0 DFAAMO O[C@@]1(CNCc2ccccc2Cl)CCC[N@H+]2CCCC[C@@H]21 ZINC000063845053 425901101 /nfs/dbraw/zinc/90/11/01/425901101.db2.gz JZBHOSCWJRIAOU-IAGOWNOFSA-N 1 1 308.853 2.809 50 0 DFAAMO CCCc1cc(N2CCC[C@@H](CN3CCCC3=O)C2)nc(C)[nH+]1 ZINC000065470052 425902846 /nfs/dbraw/zinc/90/28/46/425902846.db2.gz PYQBHNXYCPDGAL-OAHLLOKOSA-N 1 1 316.449 2.576 50 0 DFAAMO CCNc1cc[nH+]c(N2CCC[C@H](c3nc(C(C)C)no3)C2)n1 ZINC000065508369 425903019 /nfs/dbraw/zinc/90/30/19/425903019.db2.gz CXMSIVFGNMJSHL-LBPRGKRZSA-N 1 1 316.409 2.799 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1nncs1 ZINC000066897892 425907468 /nfs/dbraw/zinc/90/74/68/425907468.db2.gz LFMPHHFCQUJRJY-CQSZACIVSA-N 1 1 316.430 2.746 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)CC1)Nc1nncs1 ZINC000066897892 425907469 /nfs/dbraw/zinc/90/74/69/425907469.db2.gz LFMPHHFCQUJRJY-CQSZACIVSA-N 1 1 316.430 2.746 50 0 DFAAMO C[N@H+]1CCC[C@H](CCNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000067587413 425911738 /nfs/dbraw/zinc/91/17/38/425911738.db2.gz XCPAEXCXJQMMPU-DGTBMVLOSA-N 1 1 319.493 2.986 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)C1 ZINC000067654760 425911839 /nfs/dbraw/zinc/91/18/39/425911839.db2.gz DCLQBBSVZCIAEX-HNNXBMFYSA-N 1 1 319.449 2.686 50 0 DFAAMO CCOc1ccc2oc(C)c(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2c1 ZINC000067643325 425912076 /nfs/dbraw/zinc/91/20/76/425912076.db2.gz RYPPJXXBNKVNOQ-CYBMUJFWSA-N 1 1 316.401 2.821 50 0 DFAAMO COc1ccccc1-c1ncc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000067677273 425912173 /nfs/dbraw/zinc/91/21/73/425912173.db2.gz 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/nfs/dbraw/zinc/72/81/86/425728186.db2.gz FBUQXKOJUVOFPL-SFHVURJKSA-N 1 1 300.446 3.000 50 0 DFAAMO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012596967 425733076 /nfs/dbraw/zinc/73/30/76/425733076.db2.gz LVSDYFXJCJTFEY-OAHLLOKOSA-N 1 1 305.422 2.758 50 0 DFAAMO c1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000014880211 425775358 /nfs/dbraw/zinc/77/53/58/425775358.db2.gz BJBSFVNLAKIVKT-UHFFFAOYSA-N 1 1 316.408 2.908 50 0 DFAAMO Fc1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCC4)C3)CC2)cc1 ZINC000022914660 425796242 /nfs/dbraw/zinc/79/62/42/425796242.db2.gz KATMUWLOAYXOBV-LJQANCHMSA-N 1 1 317.452 2.965 50 0 DFAAMO C[N@@H+](CCC(=O)NC(N)=O)C(c1ccccc1)c1ccccc1 ZINC000022058387 425796562 /nfs/dbraw/zinc/79/65/62/425796562.db2.gz KGSQLBFGZKJOFH-UHFFFAOYSA-N 1 1 311.385 2.707 50 0 DFAAMO C[C@H](CNc1ncnc2ccsc21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025501469 425806115 /nfs/dbraw/zinc/80/61/15/425806115.db2.gz BQXHXBYHSLZQQM-IJLUTSLNSA-N 1 1 306.435 2.601 50 0 DFAAMO Cc1cccc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000025944172 425809538 /nfs/dbraw/zinc/80/95/38/425809538.db2.gz NTIMAPCLKJFNQV-HNNXBMFYSA-N 1 1 309.413 2.567 50 0 DFAAMO COc1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000013048767 425747264 /nfs/dbraw/zinc/74/72/64/425747264.db2.gz YAEVDUYNZOLFMM-AWEZNQCLSA-N 1 1 303.362 2.713 50 0 DFAAMO CCC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 ZINC000013331040 425753868 /nfs/dbraw/zinc/75/38/68/425753868.db2.gz ZJJKSAPAMMZOTH-AWEZNQCLSA-N 1 1 324.852 2.970 50 0 DFAAMO CCCCN(C)c1nc(N2CCOCC2)[nH+]c2c1SCCC2 ZINC000013625428 425756801 /nfs/dbraw/zinc/75/68/01/425756801.db2.gz QWMICNYCDYVVFO-UHFFFAOYSA-N 1 1 322.478 2.588 50 0 DFAAMO FC(F)(F)Oc1ccccc1CN[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684025 425857826 /nfs/dbraw/zinc/85/78/26/425857826.db2.gz CYLIEUIFXRYMAX-LBPRGKRZSA-N 1 1 300.324 2.912 50 0 DFAAMO FC(F)(F)Oc1ccccc1CN[C@H]1CC[N@H+](C2CC2)C1 ZINC000044684025 425857827 /nfs/dbraw/zinc/85/78/27/425857827.db2.gz CYLIEUIFXRYMAX-LBPRGKRZSA-N 1 1 300.324 2.912 50 0 DFAAMO CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000044791140 425857947 /nfs/dbraw/zinc/85/79/47/425857947.db2.gz PCXISWPOAGRSOJ-AWEZNQCLSA-N 1 1 306.406 2.881 50 0 DFAAMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000044791140 425857948 /nfs/dbraw/zinc/85/79/48/425857948.db2.gz PCXISWPOAGRSOJ-AWEZNQCLSA-N 1 1 306.406 2.881 50 0 DFAAMO c1[nH]c2ccccc2c1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000044907450 425858607 /nfs/dbraw/zinc/85/86/07/425858607.db2.gz ULLXWQABDWRRJH-UHFFFAOYSA-N 1 1 322.416 2.869 50 0 DFAAMO c1csc(-c2noc(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)c1 ZINC000044937949 425858797 /nfs/dbraw/zinc/85/87/97/425858797.db2.gz DKJFBHRBRMNIEY-LLVKDONJSA-N 1 1 305.403 2.799 50 0 DFAAMO O=C(C[NH+]1CCC(O)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000028968083 425823343 /nfs/dbraw/zinc/82/33/43/425823343.db2.gz YQZKRJMIWIEGDU-UHFFFAOYSA-N 1 1 324.424 2.677 50 0 DFAAMO Cc1csc2c1ncn(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)c2=O ZINC000032553294 425838725 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COc1cc(C[NH2+]Cc2cccc3c2OCCCO3)ccn1 ZINC000048710985 425877135 /nfs/dbraw/zinc/87/71/35/425877135.db2.gz ODSWOXKYVXSRQL-UHFFFAOYSA-N 1 1 300.358 2.541 50 0 DFAAMO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170586 425878779 /nfs/dbraw/zinc/87/87/79/425878779.db2.gz JSUKEUOHDAIKRC-NSHDSACASA-N 1 1 313.336 2.588 50 0 biogenic,in-vitro DFAAMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)o1 ZINC000049170586 425878780 /nfs/dbraw/zinc/87/87/80/425878780.db2.gz JSUKEUOHDAIKRC-NSHDSACASA-N 1 1 313.336 2.588 50 0 biogenic,in-vitro DFAAMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](C(C)C)C3)nc2c1 ZINC000049169143 425878884 /nfs/dbraw/zinc/87/88/84/425878884.db2.gz ISQXEMBQQAESGJ-LBPRGKRZSA-N 1 1 322.430 2.819 50 0 biogenic,in-vitro DFAAMO Cc1nsc(C)c1C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000333389870 268395033 /nfs/dbraw/zinc/39/50/33/268395033.db2.gz CVBFIADUVKZJCD-UHFFFAOYSA-N 1 1 304.419 2.578 50 0 DFAAMO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)CC3=CCCCC3)C2)[nH]n1 ZINC000071278854 425984056 /nfs/dbraw/zinc/98/40/56/425984056.db2.gz RVERUVNXNREKOY-MRXNPFEDSA-N 1 1 316.449 2.547 50 0 DFAAMO CS[C@@H]1CCC[C@H]1N(C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000107147318 425984116 /nfs/dbraw/zinc/98/41/16/425984116.db2.gz LXBPBLCADIOPAS-RRFJBIMHSA-N 1 1 313.511 2.786 50 0 DFAAMO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)CC3=CCCCC3)C2)[nH]n1 ZINC000071278855 425984402 /nfs/dbraw/zinc/98/44/02/425984402.db2.gz RVERUVNXNREKOY-INIZCTEOSA-N 1 1 316.449 2.547 50 0 DFAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000071761291 425988521 /nfs/dbraw/zinc/98/85/21/425988521.db2.gz SMRFTJZBDKCNAV-MRXNPFEDSA-N 1 1 322.836 2.726 50 0 DFAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCCC1 ZINC000071761291 425988523 /nfs/dbraw/zinc/98/85/23/425988523.db2.gz SMRFTJZBDKCNAV-MRXNPFEDSA-N 1 1 322.836 2.726 50 0 DFAAMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1C[C@H]1C1CC1 ZINC000107359591 425989430 /nfs/dbraw/zinc/98/94/30/425989430.db2.gz NJLLBWRGJYAQCZ-WDSOQIARSA-N 1 1 312.457 2.713 50 0 DFAAMO 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ZINC000071907754 426002336 /nfs/dbraw/zinc/00/23/36/426002336.db2.gz JHPCENOQCCYPFY-KRWDZBQOSA-N 1 1 303.427 2.501 50 0 DFAAMO C[N@@H+](CCc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000071907754 426002338 /nfs/dbraw/zinc/00/23/38/426002338.db2.gz JHPCENOQCCYPFY-KRWDZBQOSA-N 1 1 303.427 2.501 50 0 DFAAMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000071915699 426004509 /nfs/dbraw/zinc/00/45/09/426004509.db2.gz MYNHXDBQAPUQQO-IAGOWNOFSA-N 1 1 323.440 2.884 50 0 DFAAMO C[N@@H+](CC1CCC(C(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158479628 425941919 /nfs/dbraw/zinc/94/19/19/425941919.db2.gz XZLMNAXQSMZPCN-NRXISQOPSA-N 1 1 301.496 2.958 50 0 DFAAMO c1csc(-c2nc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)no2)c1 ZINC000069508633 425944203 /nfs/dbraw/zinc/94/42/03/425944203.db2.gz HCPJNXINPBAUMH-NSHDSACASA-N 1 1 305.403 2.799 50 0 DFAAMO c1csc(-c2nc(C[N@H+](C[C@@H]3CCOC3)C3CC3)no2)c1 ZINC000069508633 425944204 /nfs/dbraw/zinc/94/42/04/425944204.db2.gz HCPJNXINPBAUMH-NSHDSACASA-N 1 1 305.403 2.799 50 0 DFAAMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]1Cn1nc(C)nc1C ZINC000069511816 425944262 /nfs/dbraw/zinc/94/42/62/425944262.db2.gz ZWHIEVFRBPPQDM-QGZVFWFLSA-N 1 1 314.433 2.877 50 0 DFAAMO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)n1 ZINC000069601445 425949637 /nfs/dbraw/zinc/94/96/37/425949637.db2.gz ZXXXJHROGBLFQK-HNNXBMFYSA-N 1 1 309.373 2.598 50 0 DFAAMO c1ncn(C[C@@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)n1 ZINC000069601445 425949640 /nfs/dbraw/zinc/94/96/40/425949640.db2.gz ZXXXJHROGBLFQK-HNNXBMFYSA-N 1 1 309.373 2.598 50 0 DFAAMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000069630810 425950495 /nfs/dbraw/zinc/95/04/95/425950495.db2.gz AXAANZJKHDCXRV-KRWDZBQOSA-N 1 1 314.433 2.978 50 0 DFAAMO Cc1cnn(C[C@H](C)[NH2+][C@@H](C)c2nc(-c3ccccc3)no2)c1 ZINC000069629768 425951137 /nfs/dbraw/zinc/95/11/37/425951137.db2.gz LAVKAEQIRVMYFQ-KBPBESRZSA-N 1 1 311.389 2.981 50 0 DFAAMO c1ccc(CC[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)nc1 ZINC000071915621 426004775 /nfs/dbraw/zinc/00/47/75/426004775.db2.gz FYZLHWIAXLHNBX-MRXNPFEDSA-N 1 1 311.433 2.779 50 0 DFAAMO c1ccc(CC[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)nc1 ZINC000071915621 426004779 /nfs/dbraw/zinc/00/47/79/426004779.db2.gz FYZLHWIAXLHNBX-MRXNPFEDSA-N 1 1 311.433 2.779 50 0 DFAAMO CCn1c(=O)c2sccc2nc1SC[C@@H]1CCC[N@@H+](C)C1 ZINC000069658143 425952021 /nfs/dbraw/zinc/95/20/21/425952021.db2.gz NSKZAXMOAFDVJC-LLVKDONJSA-N 1 1 323.487 2.912 50 0 DFAAMO O[C@@H](C[N@H+]1CCCC[C@@H]1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000069659343 425952139 /nfs/dbraw/zinc/95/21/39/425952139.db2.gz PEZOCEZKWUCQFR-PBHICJAKSA-N 1 1 321.371 2.749 50 0 DFAAMO Cc1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCO)n2)cc1F ZINC000069663208 425952284 /nfs/dbraw/zinc/95/22/84/425952284.db2.gz MUURTHCDZYGMRL-CQSZACIVSA-N 1 1 319.380 2.921 50 0 DFAAMO Cc1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCO)n2)cc1F ZINC000069663208 425952288 /nfs/dbraw/zinc/95/22/88/425952288.db2.gz MUURTHCDZYGMRL-CQSZACIVSA-N 1 1 319.380 2.921 50 0 DFAAMO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2cc(F)ccc2F)cn1 ZINC000069661336 425952413 /nfs/dbraw/zinc/95/24/13/425952413.db2.gz QRGNDNZCRVWUEW-CVEARBPZSA-N 1 1 307.344 2.569 50 0 DFAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)c2cc(F)ccc2F)cn1 ZINC000069661336 425952416 /nfs/dbraw/zinc/95/24/16/425952416.db2.gz QRGNDNZCRVWUEW-CVEARBPZSA-N 1 1 307.344 2.569 50 0 DFAAMO COc1cccc(C[N@H+]2CCC[C@H]2Cn2nc(C)nc2C)c1 ZINC000069703063 425954185 /nfs/dbraw/zinc/95/41/85/425954185.db2.gz SGYBGKJMDUXVLQ-INIZCTEOSA-N 1 1 300.406 2.568 50 0 DFAAMO c1cn(-c2ccccc2)nc1C[N@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069740961 425955175 /nfs/dbraw/zinc/95/51/75/425955175.db2.gz HCAWEIFLPZADQH-GOSISDBHSA-N 1 1 322.416 2.519 50 0 DFAAMO c1cn(-c2ccccc2)nc1C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069740961 425955177 /nfs/dbraw/zinc/95/51/77/425955177.db2.gz HCAWEIFLPZADQH-GOSISDBHSA-N 1 1 322.416 2.519 50 0 DFAAMO Cc1nc(C)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)s1 ZINC000069770585 425956459 /nfs/dbraw/zinc/95/64/59/425956459.db2.gz PNQJBZQOMQCIMA-CYBMUJFWSA-N 1 1 304.419 2.742 50 0 DFAAMO CCn1c(C)cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000069773627 425956862 /nfs/dbraw/zinc/95/68/62/425956862.db2.gz QJLJASTXYRDUMY-IAGOWNOFSA-N 1 1 303.450 2.824 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](CCc3cccs3)C2)n1 ZINC000069820239 425959790 /nfs/dbraw/zinc/95/97/90/425959790.db2.gz USUDJSYKEIPDDO-OAHLLOKOSA-N 1 1 304.463 2.911 50 0 DFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccnc2)C1 ZINC000069872409 425960919 /nfs/dbraw/zinc/96/09/19/425960919.db2.gz ZTTDQFHBWMNPDS-ZACQAIPSSA-N 1 1 310.401 2.554 50 0 DFAAMO CC[N@H+]1CCCN(C(=O)CCCOc2ccccc2F)CC1 ZINC000069873560 425961676 /nfs/dbraw/zinc/96/16/76/425961676.db2.gz XCIHBWVOMQOHNV-UHFFFAOYSA-N 1 1 308.397 2.539 50 0 DFAAMO c1cnn(C[C@H]2CCCC[N@@H+]2Cc2cn3ccsc3n2)c1 ZINC000069923491 425963194 /nfs/dbraw/zinc/96/31/94/425963194.db2.gz DHFVABGIJQNRBN-CQSZACIVSA-N 1 1 301.419 2.647 50 0 DFAAMO c1cnn(C[C@H]2CCCC[N@H+]2Cc2cn3ccsc3n2)c1 ZINC000069923491 425963196 /nfs/dbraw/zinc/96/31/96/425963196.db2.gz 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426010511 /nfs/dbraw/zinc/01/05/11/426010511.db2.gz PLNICMFKRKWNMV-ROUUACIJSA-N 1 1 317.408 2.919 50 0 DFAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000072169141 426011259 /nfs/dbraw/zinc/01/12/59/426011259.db2.gz DTSWEHJESZNMFQ-KRWDZBQOSA-N 1 1 311.429 2.794 50 0 DFAAMO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](CCc2ccccn2)C1 ZINC000108128433 426011474 /nfs/dbraw/zinc/01/14/74/426011474.db2.gz UKNOXRPRCGBSPS-PBHICJAKSA-N 1 1 304.340 2.710 50 0 DFAAMO C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000072294871 426013141 /nfs/dbraw/zinc/01/31/41/426013141.db2.gz GXLQJQVHDLMNBC-MBNYWOFBSA-N 1 1 316.430 2.743 50 0 DFAAMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H](c2ccsc2)C[C@H]1C ZINC000072294871 426013142 /nfs/dbraw/zinc/01/31/42/426013142.db2.gz GXLQJQVHDLMNBC-MBNYWOFBSA-N 1 1 316.430 2.743 50 0 DFAAMO Cc1nc(CN(C)[C@@H]2CC[N@@H+](CCCc3ccccc3)C2)no1 ZINC000076047350 426095566 /nfs/dbraw/zinc/09/55/66/426095566.db2.gz WGSHAVRTUXTGLZ-QGZVFWFLSA-N 1 1 314.433 2.517 50 0 DFAAMO c1cc2cc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)ccc2[nH]1 ZINC000077407780 426131545 /nfs/dbraw/zinc/13/15/45/426131545.db2.gz OGHWOJPVPVLYTA-SFHVURJKSA-N 1 1 313.445 2.855 50 0 DFAAMO Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077440011 426133939 /nfs/dbraw/zinc/13/39/39/426133939.db2.gz PBPXOCZSXVOXIT-SFHVURJKSA-N 1 1 316.445 2.849 50 0 DFAAMO Cc1ccc(NC(=O)[C@H](C(C)C)N2CC[NH+](C)CC2)cc1C ZINC000075572814 426077310 /nfs/dbraw/zinc/07/73/10/426077310.db2.gz GQMRLZWUTKMTDT-KRWDZBQOSA-N 1 1 303.450 2.514 50 0 DFAAMO C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCOCC2(CCC2)C1 ZINC000170595230 426139565 /nfs/dbraw/zinc/13/95/65/426139565.db2.gz BZVPLPMXNUEAIJ-HNNXBMFYSA-N 1 1 308.466 2.574 50 0 DFAAMO Fc1ccccc1SCC[NH+]1CCN(c2ncccn2)CC1 ZINC000078394439 426168565 /nfs/dbraw/zinc/16/85/65/426168565.db2.gz ZDSJKUSFZCJMPZ-UHFFFAOYSA-N 1 1 318.421 2.530 50 0 DFAAMO COC(=O)c1sccc1C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000089364851 426288007 /nfs/dbraw/zinc/28/80/07/426288007.db2.gz JBUQMASYCCMBEJ-AWEZNQCLSA-N 1 1 323.389 2.839 50 0 DFAAMO COC(=O)c1sccc1C[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000089364851 426288010 /nfs/dbraw/zinc/28/80/10/426288010.db2.gz JBUQMASYCCMBEJ-AWEZNQCLSA-N 1 1 323.389 2.839 50 0 DFAAMO O=C([C@H]1C[C@@H]1c1ccccc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000089813434 426310763 /nfs/dbraw/zinc/31/07/63/426310763.db2.gz UCVGQQFAHKGZHM-CABCVRRESA-N 1 1 304.821 2.750 50 0 DFAAMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC000089894275 426316515 /nfs/dbraw/zinc/31/65/15/426316515.db2.gz LVBPGRBWYUDDDR-HUUCEWRRSA-N 1 1 322.453 2.508 50 0 DFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000089938536 426320631 /nfs/dbraw/zinc/32/06/31/426320631.db2.gz SMUYUZYPXAEKNV-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Oc2cccnc2)cc1 ZINC000089938536 426320633 /nfs/dbraw/zinc/32/06/33/426320633.db2.gz SMUYUZYPXAEKNV-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000089938739 426320662 /nfs/dbraw/zinc/32/06/62/426320662.db2.gz KRIYBTSCXXAPLD-AWEZNQCLSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccnc(Oc2ccccc2)c1 ZINC000089938739 426320667 /nfs/dbraw/zinc/32/06/67/426320667.db2.gz KRIYBTSCXXAPLD-AWEZNQCLSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000089938698 426321002 /nfs/dbraw/zinc/32/10/02/426321002.db2.gz BQVGXSOZKJFNCY-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000089938698 426321005 /nfs/dbraw/zinc/32/10/05/426321005.db2.gz BQVGXSOZKJFNCY-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(Cl)cc2cccnc21 ZINC000089938367 426321338 /nfs/dbraw/zinc/32/13/38/426321338.db2.gz AKZMDZZUFCGYFA-NSHDSACASA-N 1 1 303.793 2.664 50 0 DFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(Cl)cc2cccnc21 ZINC000089938367 426321341 /nfs/dbraw/zinc/32/13/41/426321341.db2.gz AKZMDZZUFCGYFA-NSHDSACASA-N 1 1 303.793 2.664 50 0 DFAAMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000089997020 426323825 /nfs/dbraw/zinc/32/38/25/426323825.db2.gz WRNDJSOUXLOGDJ-DZGCQCFKSA-N 1 1 319.792 2.812 50 0 DFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000089997020 426323827 /nfs/dbraw/zinc/32/38/27/426323827.db2.gz WRNDJSOUXLOGDJ-DZGCQCFKSA-N 1 1 319.792 2.812 50 0 DFAAMO CCN(CC1CCOCC1)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000091494041 426341705 /nfs/dbraw/zinc/34/17/05/426341705.db2.gz LFOOFMZGVPFYOZ-GOSISDBHSA-N 1 1 318.461 2.873 50 0 DFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C(C)=O)c1)C2 ZINC000095355243 426367208 /nfs/dbraw/zinc/36/72/08/426367208.db2.gz QZFIBKIPILPVPC-CRAIPNDOSA-N 1 1 314.429 2.836 50 0 DFAAMO Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(C)ccc1C ZINC000095363160 426367543 /nfs/dbraw/zinc/36/75/43/426367543.db2.gz BVVBRGHUFKECDA-MRXNPFEDSA-N 1 1 301.390 2.566 50 0 DFAAMO Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C(=O)[O-])c1cc(C)ccc1C ZINC000095363160 426367545 /nfs/dbraw/zinc/36/75/45/426367545.db2.gz BVVBRGHUFKECDA-MRXNPFEDSA-N 1 1 301.390 2.566 50 0 DFAAMO Cc1sc2ncnc(N3C[C@H]4CC[C@@H](C3)[N@@H+](C)C4)c2c1C ZINC000095359513 426367928 /nfs/dbraw/zinc/36/79/28/426367928.db2.gz PWIMCGBAXVHRBQ-STQMWFEESA-N 1 1 302.447 2.839 50 0 DFAAMO CCc1csc(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)n1 ZINC000095371153 426369406 /nfs/dbraw/zinc/36/94/06/426369406.db2.gz YAECHBDFKLEELJ-LLVKDONJSA-N 1 1 306.435 2.903 50 0 DFAAMO CCn1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000095376325 426369680 /nfs/dbraw/zinc/36/96/80/426369680.db2.gz RLTHEUQNBPKOQA-AZUAARDMSA-N 1 1 324.472 2.999 50 0 DFAAMO CN(C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C)C1CCSCC1 ZINC000095370216 426370076 /nfs/dbraw/zinc/37/00/76/426370076.db2.gz UHWGBEFQVNNAMW-HNNXBMFYSA-N 1 1 310.438 2.782 50 0 DFAAMO CN(C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C)C1Cc2ccccc2C1 ZINC000095525435 426373312 /nfs/dbraw/zinc/37/33/12/426373312.db2.gz IEINVWMHXORPCY-FQEVSTJZSA-N 1 1 320.436 2.669 50 0 DFAAMO CN(C(=O)[C@@H]1Cc2ccccc2C[N@H+]1C)C1Cc2ccccc2C1 ZINC000095525435 426373317 /nfs/dbraw/zinc/37/33/17/426373317.db2.gz IEINVWMHXORPCY-FQEVSTJZSA-N 1 1 320.436 2.669 50 0 DFAAMO C[N@H+](CCc1ccccn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000095958673 426376857 /nfs/dbraw/zinc/37/68/57/426376857.db2.gz YPLUZMGPSLBHQK-QGZVFWFLSA-N 1 1 313.376 2.501 50 0 DFAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000095958673 426376861 /nfs/dbraw/zinc/37/68/61/426376861.db2.gz YPLUZMGPSLBHQK-QGZVFWFLSA-N 1 1 313.376 2.501 50 0 DFAAMO C[C@@H](CN1CCN(C)CC1)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000095967786 426379546 /nfs/dbraw/zinc/37/95/46/426379546.db2.gz PKIPIKLJFLARTB-STQMWFEESA-N 1 1 313.848 2.766 50 0 DFAAMO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cn2)cc1 ZINC000095967397 426379673 /nfs/dbraw/zinc/37/96/73/426379673.db2.gz VUYWHMCUVNQGGW-MRXNPFEDSA-N 1 1 311.364 2.902 50 0 DFAAMO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cn2)cc1 ZINC000095967397 426379676 /nfs/dbraw/zinc/37/96/76/426379676.db2.gz VUYWHMCUVNQGGW-MRXNPFEDSA-N 1 1 311.364 2.902 50 0 DFAAMO c1c[nH+]c([C@H]2CCCN(Cc3noc(-c4ccsc4)n3)C2)[nH]1 ZINC000095971478 426380182 /nfs/dbraw/zinc/38/01/82/426380182.db2.gz WFCBDQLTALBUMX-NSHDSACASA-N 1 1 315.402 2.901 50 0 DFAAMO CC[N@@H+](C[C@H](O)c1ccccc1Br)CC(C)(C)O ZINC000095973104 426380320 /nfs/dbraw/zinc/38/03/20/426380320.db2.gz KOPZQJONGRVDMH-ZDUSSCGKSA-N 1 1 316.239 2.575 50 0 DFAAMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NC2CCCCCCC2)C[C@@H]1O ZINC000095995994 426386531 /nfs/dbraw/zinc/38/65/31/426386531.db2.gz CSIUTHHNPWTILT-IRXDYDNUSA-N 1 1 324.509 2.944 50 0 DFAAMO O=C(C[NH2+][C@H](CO)c1ccc(Cl)c(F)c1)Nc1ccccc1 ZINC000096006519 426386852 /nfs/dbraw/zinc/38/68/52/426386852.db2.gz CPFUVNHHPAWOKF-OAHLLOKOSA-N 1 1 322.767 2.741 50 0 DFAAMO c1nc2c(n1CCc1ccccc1)CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096004552 426387326 /nfs/dbraw/zinc/38/73/26/426387326.db2.gz KANLMLIYNCWUTN-KRWDZBQOSA-N 1 1 311.429 2.520 50 0 DFAAMO COCC[N@H+]1CC[C@@H](Nc2ccc(Br)c(F)c2)C1 ZINC000096011614 426387977 /nfs/dbraw/zinc/38/79/77/426387977.db2.gz BAOHUOSNTLFMHJ-LLVKDONJSA-N 1 1 317.202 2.721 50 0 DFAAMO CCO[C@@H]1C[C@@H]([NH+]2CCN([C@@H](C)C(F)(F)F)CC2)C12CCC2 ZINC000096009229 426388084 /nfs/dbraw/zinc/38/80/84/426388084.db2.gz TYPYTLPRRAWMTL-BFHYXJOUSA-N 1 1 320.399 2.903 50 0 DFAAMO CC[N@@H+]1CC[C@H](N(C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419335 /nfs/dbraw/zinc/41/93/35/426419335.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 1 1 313.445 2.833 50 0 DFAAMO CC[N@H+]1CC[C@H](N(C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419338 /nfs/dbraw/zinc/41/93/38/426419338.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 1 1 313.445 2.833 50 0 DFAAMO CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419340 /nfs/dbraw/zinc/41/93/40/426419340.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 1 1 313.445 2.833 50 0 DFAAMO CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)C[C@@H]1C ZINC000096419588 426419342 /nfs/dbraw/zinc/41/93/42/426419342.db2.gz ROIRRISWIXKVFP-YOEHRIQHSA-N 1 1 313.445 2.833 50 0 DFAAMO Cc1[nH+]ccn1CCCC(=O)Nc1cc(C)nc(C(C)C)n1 ZINC000096420507 426419905 /nfs/dbraw/zinc/41/99/05/426419905.db2.gz ZSVPABHNMCJMEN-UHFFFAOYSA-N 1 1 301.394 2.832 50 0 DFAAMO O=C(c1ccncc1)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000096424151 426420896 /nfs/dbraw/zinc/42/08/96/426420896.db2.gz IZXHDZNSRNLOQY-UHFFFAOYSA-N 1 1 301.434 2.810 50 0 DFAAMO C[C@H]1C[C@@H]([N@@H+](C)CCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000176915458 426424229 /nfs/dbraw/zinc/42/42/29/426424229.db2.gz DTVJTTTYELPIST-RDJZCZTQSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@H]1C[C@@H]([NH+](C)CCCC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176915458 426424233 /nfs/dbraw/zinc/42/42/33/426424233.db2.gz DTVJTTTYELPIST-RDJZCZTQSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@H]1C[C@@H]([NH+](C)CCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176915458 426424236 /nfs/dbraw/zinc/42/42/36/426424236.db2.gz DTVJTTTYELPIST-RDJZCZTQSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@H]1C[C@@H]([N@H+](C)CCCC(=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000176915458 426424238 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ZINC000069571285 425947718 /nfs/dbraw/zinc/94/77/18/425947718.db2.gz ABHUYYLJPPTZCM-UHFFFAOYSA-N 1 1 311.223 2.663 50 0 DFAAMO Cc1cc(N2CCC(N(C)C(=O)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000069660501 425951519 /nfs/dbraw/zinc/95/15/19/425951519.db2.gz HJWFCGMSZKBFIL-UHFFFAOYSA-N 1 1 316.449 2.711 50 0 DFAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)c(F)c2)cn1 ZINC000069659039 425951995 /nfs/dbraw/zinc/95/19/95/425951995.db2.gz MFTIISYDWZSPAN-CVEARBPZSA-N 1 1 307.344 2.569 50 0 DFAAMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cc1F ZINC000069739766 425955099 /nfs/dbraw/zinc/95/50/99/425955099.db2.gz GEQFZQAZIXUZQP-IRXDYDNUSA-N 1 1 320.408 2.810 50 0 DFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000069773899 425956361 /nfs/dbraw/zinc/95/63/61/425956361.db2.gz SXPYYFXWYWBIKK-ZDUSSCGKSA-N 1 1 305.451 2.770 50 0 DFAAMO CC(C)c1nc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000069773899 425956365 /nfs/dbraw/zinc/95/63/65/425956365.db2.gz SXPYYFXWYWBIKK-ZDUSSCGKSA-N 1 1 305.451 2.770 50 0 DFAAMO CC(C)c1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000069773903 425956506 /nfs/dbraw/zinc/95/65/06/425956506.db2.gz SXPYYFXWYWBIKK-CYBMUJFWSA-N 1 1 305.451 2.770 50 0 DFAAMO CC(C)c1nc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000069773903 425956509 /nfs/dbraw/zinc/95/65/09/425956509.db2.gz SXPYYFXWYWBIKK-CYBMUJFWSA-N 1 1 305.451 2.770 50 0 DFAAMO CC[N@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000069779591 425957942 /nfs/dbraw/zinc/95/79/42/425957942.db2.gz VBOYIWKNNYKWJN-UHFFFAOYSA-N 1 1 311.223 2.617 50 0 DFAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000069816555 425959332 /nfs/dbraw/zinc/95/93/32/425959332.db2.gz VJJOWDJMKHPWSW-CQSZACIVSA-N 1 1 319.478 2.989 50 0 DFAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cs1 ZINC000069816555 425959335 /nfs/dbraw/zinc/95/93/35/425959335.db2.gz VJJOWDJMKHPWSW-CQSZACIVSA-N 1 1 319.478 2.989 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)n1 ZINC000069817790 425960009 /nfs/dbraw/zinc/96/00/09/425960009.db2.gz JCIKCNRTQXWLHT-CQSZACIVSA-N 1 1 305.451 2.572 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1nccc2ccccc21 ZINC000069818624 425960238 /nfs/dbraw/zinc/96/02/38/425960238.db2.gz NSZPFGZWWKGGDL-SJORKVTESA-N 1 1 309.413 2.934 50 0 DFAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000104279605 425962226 /nfs/dbraw/zinc/96/22/26/425962226.db2.gz UCHZGLURTGJZSQ-CHWSQXEVSA-N 1 1 312.421 2.990 50 0 DFAAMO C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000104279605 425962229 /nfs/dbraw/zinc/96/22/29/425962229.db2.gz UCHZGLURTGJZSQ-CHWSQXEVSA-N 1 1 312.421 2.990 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@H](O)c2cccc(F)c2)c1 ZINC000069924829 425962799 /nfs/dbraw/zinc/96/27/99/425962799.db2.gz UXLATPQNUYUQEL-SJORKVTESA-N 1 1 303.381 2.529 50 0 DFAAMO Cc1cnn(CC[NH2+][C@@H](C)c2nc(-c3cccs3)no2)c1 ZINC000070011672 425964926 /nfs/dbraw/zinc/96/49/26/425964926.db2.gz VYBOJQIIEKCVDS-NSHDSACASA-N 1 1 303.391 2.654 50 0 DFAAMO O[C@H](C[N@H+]1CCCC[C@@H]1Cn1cccn1)c1ccccc1F ZINC000069981949 425965210 /nfs/dbraw/zinc/96/52/10/425965210.db2.gz ADMCBALGLVCVAN-RHSMWYFYSA-N 1 1 303.381 2.610 50 0 DFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000069969832 425965592 /nfs/dbraw/zinc/96/55/92/425965592.db2.gz ABBWDUHPTDSRGA-CQSZACIVSA-N 1 1 321.384 2.612 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000070040734 425966104 /nfs/dbraw/zinc/96/61/04/425966104.db2.gz QBXVZJNEEFLYHH-INIZCTEOSA-N 1 1 323.400 2.906 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000070040734 425966106 /nfs/dbraw/zinc/96/61/06/425966106.db2.gz QBXVZJNEEFLYHH-INIZCTEOSA-N 1 1 323.400 2.906 50 0 DFAAMO Cc1c(C)c(C)c(S(=O)(=O)NCC[N@H+](C)C2CC2)c(C)c1C ZINC000070038280 425966802 /nfs/dbraw/zinc/96/68/02/425966802.db2.gz HJWZESHGMYGVBN-UHFFFAOYSA-N 1 1 324.490 2.601 50 0 DFAAMO CC(C)OC[C@H](O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000070194883 425970228 /nfs/dbraw/zinc/97/02/28/425970228.db2.gz KAJHFTOOLDYOPZ-LLVKDONJSA-N 1 1 322.268 2.728 50 0 DFAAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1F ZINC000106137994 425971367 /nfs/dbraw/zinc/97/13/67/425971367.db2.gz LWRLNZCDKICOAT-KBPBESRZSA-N 1 1 307.413 2.745 50 0 DFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccnc2)C1 ZINC000106839198 425975731 /nfs/dbraw/zinc/97/57/31/425975731.db2.gz XBALNODHOZDCGR-HUUCEWRRSA-N 1 1 304.438 2.562 50 0 DFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccccn2)C1 ZINC000106839184 425975778 /nfs/dbraw/zinc/97/57/78/425975778.db2.gz CPDZTOSIDBCMND-HUUCEWRRSA-N 1 1 304.438 2.562 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313831 426046280 /nfs/dbraw/zinc/04/62/80/426046280.db2.gz NOWGKVALNFPLJH-DLBZAZTESA-N 1 1 314.360 2.572 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1CC[C@H](O)C1 ZINC000074313831 426046282 /nfs/dbraw/zinc/04/62/82/426046282.db2.gz NOWGKVALNFPLJH-DLBZAZTESA-N 1 1 314.360 2.572 50 0 DFAAMO C[C@@H]([NH2+]Cc1nc(-c2ccsc2)no1)[C@@H](C)n1cccn1 ZINC000072269730 426011050 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COc1ccc([C@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C2)cc1 ZINC000072294849 426012721 /nfs/dbraw/zinc/01/27/21/426012721.db2.gz FBHTZAZWOPNWEA-WMZOPIPTSA-N 1 1 305.418 2.680 50 0 DFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C(N)=O)c2ccccc2)C1 ZINC000108357198 426014604 /nfs/dbraw/zinc/01/46/04/426014604.db2.gz GHVHSASVRDVIQM-AYOQOUSVSA-N 1 1 323.440 2.638 50 0 DFAAMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C(N)=O)c2ccccc2)C1 ZINC000108357198 426014606 /nfs/dbraw/zinc/01/46/06/426014606.db2.gz GHVHSASVRDVIQM-AYOQOUSVSA-N 1 1 323.440 2.638 50 0 DFAAMO C[C@@H]1CCC[N@@H+](CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072312031 426015275 /nfs/dbraw/zinc/01/52/75/426015275.db2.gz AIAHIMJENGYSDN-MRXNPFEDSA-N 1 1 305.441 2.680 50 0 DFAAMO Cc1cccc(O[C@H]2COCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000077265571 426125283 /nfs/dbraw/zinc/12/52/83/426125283.db2.gz KJPUPXVBYIYEPM-QGZVFWFLSA-N 1 1 316.376 2.809 50 0 biogenic,in-vitro DFAAMO Cc1cccc(O[C@H]2COCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000077265571 426125285 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Cc1ccc(C[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1F ZINC000092091022 193155673 /nfs/dbraw/zinc/15/56/73/193155673.db2.gz XOAHGWQMGJLVPT-OAHLLOKOSA-N 1 1 306.425 2.819 50 0 DFAAMO COC[C@]1(O)CC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1(C)C ZINC000092097844 193157504 /nfs/dbraw/zinc/15/75/04/193157504.db2.gz QPNDHMVDFBNEKO-GOSISDBHSA-N 1 1 302.418 2.777 50 0 DFAAMO CC[N@@H+](Cc1ccccn1)Cc1ccccc1N1CCOCC1 ZINC000093338902 193234761 /nfs/dbraw/zinc/23/47/61/193234761.db2.gz ZQBKJWNVLZWJAN-UHFFFAOYSA-N 1 1 311.429 2.940 50 0 DFAAMO C[N@H+](CCO)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000095986520 193478555 /nfs/dbraw/zinc/47/85/55/193478555.db2.gz YKKZIDMZINESHU-CQSZACIVSA-N 1 1 302.443 2.840 50 0 DFAAMO C[N@@H+](CCO)Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000095986520 193478556 /nfs/dbraw/zinc/47/85/56/193478556.db2.gz YKKZIDMZINESHU-CQSZACIVSA-N 1 1 302.443 2.840 50 0 DFAAMO CN1CCC[C@]2(CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)C1=O ZINC000012588104 181779856 /nfs/dbraw/zinc/77/98/56/181779856.db2.gz ITHYLNQQJUTIHF-ROVVAWJSSA-N 1 1 302.393 2.783 50 0 DFAAMO O=C(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1=CCCC1 ZINC000012588013 181780095 /nfs/dbraw/zinc/78/00/95/181780095.db2.gz XYNBLHPVMWOGCU-SFHVURJKSA-N 1 1 310.441 2.845 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cc2noc3ccccc23)C1 ZINC000015675041 182012097 /nfs/dbraw/zinc/01/20/97/182012097.db2.gz HCAUHTCHDUFXLC-AWEZNQCLSA-N 1 1 315.417 2.609 50 0 DFAAMO C[NH+](C)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccco1 ZINC000015831433 182019490 /nfs/dbraw/zinc/01/94/90/182019490.db2.gz QKOGQXABXYQHMY-AWEZNQCLSA-N 1 1 322.792 2.731 50 0 DFAAMO CCOc1ccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016247780 182038849 /nfs/dbraw/zinc/03/88/49/182038849.db2.gz JVHKXRHUJNQAKG-IYBDPMFKSA-N 1 1 323.433 2.590 50 0 DFAAMO CCOc1ccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016247780 182038851 /nfs/dbraw/zinc/03/88/51/182038851.db2.gz JVHKXRHUJNQAKG-IYBDPMFKSA-N 1 1 323.433 2.590 50 0 DFAAMO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CC[NH+](CC)CC1 ZINC000016602904 182051783 /nfs/dbraw/zinc/05/17/83/182051783.db2.gz KLSMROKVVOOPPH-KRWDZBQOSA-N 1 1 304.434 2.625 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(C(C)C)cc2)CC1 ZINC000016605234 182053374 /nfs/dbraw/zinc/05/33/74/182053374.db2.gz WEJLGMHBZOTJRB-HNNXBMFYSA-N 1 1 304.434 2.741 50 0 DFAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000016527095 182048609 /nfs/dbraw/zinc/04/86/09/182048609.db2.gz ZUZKMCNBLSXMHU-ZDUSSCGKSA-N 1 1 311.809 2.994 50 0 DFAAMO Cc1cc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C(C)C ZINC000016662235 182056543 /nfs/dbraw/zinc/05/65/43/182056543.db2.gz RZTWRRSTEYBCQR-IXDOHACOSA-N 1 1 321.461 2.967 50 0 DFAAMO Cc1cc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C(C)C ZINC000016662235 182056544 /nfs/dbraw/zinc/05/65/44/182056544.db2.gz RZTWRRSTEYBCQR-IXDOHACOSA-N 1 1 321.461 2.967 50 0 DFAAMO Cc1ncsc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000019227906 182109123 /nfs/dbraw/zinc/10/91/23/182109123.db2.gz ZRXXTMAALLQCQZ-GFCCVEGCSA-N 1 1 305.403 2.611 50 0 DFAAMO CC[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000019527772 182127847 /nfs/dbraw/zinc/12/78/47/182127847.db2.gz RJZAJAGVNTTXJV-UHFFFAOYSA-N 1 1 310.825 2.662 50 0 DFAAMO CN(C)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019732996 182139425 /nfs/dbraw/zinc/13/94/25/182139425.db2.gz LKIFJNJBDORNCI-UHFFFAOYSA-N 1 1 323.440 2.711 50 0 DFAAMO CCc1cccc2c(=O)c(CN3CC[NH+](CC)CC3)c(C)[nH]c12 ZINC000019793177 182150153 /nfs/dbraw/zinc/15/01/53/182150153.db2.gz SBCNQLSHGJVRCM-UHFFFAOYSA-N 1 1 313.445 2.949 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000020608762 182237941 /nfs/dbraw/zinc/23/79/41/182237941.db2.gz HANXEDWDHMPAGM-OAHLLOKOSA-N 1 1 318.461 2.916 50 0 DFAAMO Cc1noc2ncnc(NCCC[N@H+](C)Cc3ccccc3)c12 ZINC000021714727 182284992 /nfs/dbraw/zinc/28/49/92/182284992.db2.gz RGVJNAQCLXTRRB-UHFFFAOYSA-N 1 1 311.389 2.860 50 0 DFAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3cccc(F)c3)cc2)CC1 ZINC000022027907 182304822 /nfs/dbraw/zinc/30/48/22/182304822.db2.gz VNKZTMSVRDPHPI-UHFFFAOYSA-N 1 1 312.388 2.804 50 0 DFAAMO Cc1cccc(C(=O)c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000022028122 182305490 /nfs/dbraw/zinc/30/54/90/182305490.db2.gz WVUPBNIAFRKWMS-UHFFFAOYSA-N 1 1 308.425 2.973 50 0 DFAAMO COCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022333955 182318985 /nfs/dbraw/zinc/31/89/85/182318985.db2.gz OYYDJKHNIRSMGM-UHFFFAOYSA-N 1 1 324.424 2.567 50 0 DFAAMO Cc1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)s1 ZINC000022913440 182340334 /nfs/dbraw/zinc/34/03/34/182340334.db2.gz SZAUZQGITWSIEU-INIZCTEOSA-N 1 1 310.507 2.971 50 0 DFAAMO OCC[C@@H]1CN(Cc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000022932747 182342500 /nfs/dbraw/zinc/34/25/00/182342500.db2.gz VVYGVCYMRWOJMO-QGZVFWFLSA-N 1 1 316.470 2.817 50 0 DFAAMO OCC[C@@H]1C[N@H+](Cc2cccs2)CCN1Cc1ccccc1 ZINC000022932747 182342502 /nfs/dbraw/zinc/34/25/02/182342502.db2.gz VVYGVCYMRWOJMO-QGZVFWFLSA-N 1 1 316.470 2.817 50 0 DFAAMO OCC[C@@H]1C[N@@H+](Cc2cccs2)CCN1Cc1ccccc1 ZINC000022932747 182342505 /nfs/dbraw/zinc/34/25/05/182342505.db2.gz VVYGVCYMRWOJMO-QGZVFWFLSA-N 1 1 316.470 2.817 50 0 DFAAMO c1ccc2oc([C@H]3CCC[N@@H+](Cc4nnnn4C4CC4)C3)nc2c1 ZINC000024667980 182387234 /nfs/dbraw/zinc/38/72/34/182387234.db2.gz VZQBVMJEDHAZNM-LBPRGKRZSA-N 1 1 324.388 2.529 50 0 DFAAMO c1ccc2oc([C@H]3CCC[N@H+](Cc4nnnn4C4CC4)C3)nc2c1 ZINC000024667980 182387235 /nfs/dbraw/zinc/38/72/35/182387235.db2.gz VZQBVMJEDHAZNM-LBPRGKRZSA-N 1 1 324.388 2.529 50 0 DFAAMO CC[NH+](CC)C1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000067898136 284569401 /nfs/dbraw/zinc/56/94/01/284569401.db2.gz BAWGLNKQKFSNDK-UHFFFAOYSA-N 1 1 316.401 2.907 50 0 biogenic,in-vitro DFAAMO Cc1ccc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)o1 ZINC000039379632 183017581 /nfs/dbraw/zinc/01/75/81/183017581.db2.gz LFLNIBWCWWUDCE-QGZVFWFLSA-N 1 1 306.450 2.789 50 0 DFAAMO CCc1ccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)o1 ZINC000039394571 183017864 /nfs/dbraw/zinc/01/78/64/183017864.db2.gz ODBIHBRLWPCAOV-MRXNPFEDSA-N 1 1 308.466 2.757 50 0 DFAAMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000041625907 183211810 /nfs/dbraw/zinc/21/18/10/183211810.db2.gz NUXIMTGESVVMLN-LBPRGKRZSA-N 1 1 321.446 2.606 50 0 DFAAMO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000042651710 183294139 /nfs/dbraw/zinc/29/41/39/183294139.db2.gz DCOCRZDNRWMTCD-CQSZACIVSA-N 1 1 300.406 2.511 50 0 DFAAMO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000042651868 183294406 /nfs/dbraw/zinc/29/44/06/183294406.db2.gz CWIBOXKTQDOWTI-HNNXBMFYSA-N 1 1 314.433 2.819 50 0 DFAAMO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccco1 ZINC000044366046 183406769 /nfs/dbraw/zinc/40/67/69/183406769.db2.gz AQFVGTZVNPXZGA-OAHLLOKOSA-N 1 1 316.376 2.869 50 0 DFAAMO CC(C)C[N@H+]1CCN(C/C=C/c2ccccc2)C[C@H]1CCO ZINC000105282477 194093390 /nfs/dbraw/zinc/09/33/90/194093390.db2.gz AVUIDFVFVJGVBX-MBNRZODZSA-N 1 1 302.462 2.724 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc3ccccc32)[C@@H](C)CO1 ZINC000106524906 194224840 /nfs/dbraw/zinc/22/48/40/194224840.db2.gz MBDOAYALEWVNQN-UXLLHSPISA-N 1 1 315.413 2.689 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc3ccccc32)[C@@H](C)CO1 ZINC000106524906 194224843 /nfs/dbraw/zinc/22/48/43/194224843.db2.gz MBDOAYALEWVNQN-UXLLHSPISA-N 1 1 315.413 2.689 50 0 DFAAMO CCCCc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000106577548 194232706 /nfs/dbraw/zinc/23/27/06/194232706.db2.gz TXFFWDUEHIJDKE-ZWKOTPCHSA-N 1 1 316.445 2.622 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)/C=C\c2cccc3cccnc23)C1 ZINC000106788535 194253177 /nfs/dbraw/zinc/25/31/77/194253177.db2.gz NBXMIOSEJYJRAN-XZVRFQMRSA-N 1 1 309.413 2.847 50 0 DFAAMO C[C@@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)C1CCCCC1)C2=O ZINC000056552573 184015584 /nfs/dbraw/zinc/01/55/84/184015584.db2.gz GDHDVNWMZZXPGK-CXAGYDPISA-N 1 1 307.438 2.709 50 0 DFAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC2(CC1)OCCO2 ZINC000056138996 184005623 /nfs/dbraw/zinc/00/56/23/184005623.db2.gz YNVSQNJUPBLKJD-CYBMUJFWSA-N 1 1 314.385 2.578 50 0 DFAAMO CC(C)OCc1cccc(C[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000056171652 184006140 /nfs/dbraw/zinc/00/61/40/184006140.db2.gz NCIFFYDBEURGII-SFHVURJKSA-N 1 1 312.413 2.928 50 0 DFAAMO Cc1csc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000057153319 184028641 /nfs/dbraw/zinc/02/86/41/184028641.db2.gz XEEKTGOGFDRBCR-OAHLLOKOSA-N 1 1 315.442 2.732 50 0 DFAAMO Cc1csc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000057153319 184028642 /nfs/dbraw/zinc/02/86/42/184028642.db2.gz XEEKTGOGFDRBCR-OAHLLOKOSA-N 1 1 315.442 2.732 50 0 DFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)COC1CCCCC1 ZINC000057223375 184030181 /nfs/dbraw/zinc/03/01/81/184030181.db2.gz IUQNGKVVQAAPTH-UHFFFAOYSA-N 1 1 314.389 2.864 50 0 DFAAMO CC(C)[C@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056762728 184018955 /nfs/dbraw/zinc/01/89/55/184018955.db2.gz PLFKVKSDJXBJMK-HNNXBMFYSA-N 1 1 319.449 2.727 50 0 DFAAMO Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000056969612 184023132 /nfs/dbraw/zinc/02/31/32/184023132.db2.gz MIMOBLJKFPTBFQ-INIZCTEOSA-N 1 1 307.438 2.760 50 0 DFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000058014295 184067383 /nfs/dbraw/zinc/06/73/83/184067383.db2.gz JTHNIDZAISLVNH-KRWDZBQOSA-N 1 1 309.413 2.724 50 0 DFAAMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccs3)on2)C1 ZINC000058264762 184096154 /nfs/dbraw/zinc/09/61/54/184096154.db2.gz TWEAWWZKHPULGS-GFCCVEGCSA-N 1 1 319.430 2.865 50 0 DFAAMO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000058313364 184104166 /nfs/dbraw/zinc/10/41/66/184104166.db2.gz XVWMLFLENRBNQU-GXFFZTMASA-N 1 1 307.369 2.890 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2)C1 ZINC000058401454 184113224 /nfs/dbraw/zinc/11/32/24/184113224.db2.gz ATTBUHIBYSXQQO-AWEZNQCLSA-N 1 1 324.852 2.955 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCOc2cccc(Cl)c2)C1 ZINC000058431338 184117788 /nfs/dbraw/zinc/11/77/88/184117788.db2.gz FUBUDBJCIBAYSA-AWEZNQCLSA-N 1 1 324.852 2.955 50 0 DFAAMO Cc1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)c(C)n1C(C)C ZINC000061605433 184177159 /nfs/dbraw/zinc/17/71/59/184177159.db2.gz MVZJKXGMEFSRCW-UHFFFAOYSA-N 1 1 303.450 2.996 50 0 DFAAMO 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425863181 /nfs/dbraw/zinc/86/31/81/425863181.db2.gz RZECILZOTVXCDC-UHFFFAOYSA-N 1 1 311.360 2.774 50 0 DFAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(N)=O)CC2)cc1 ZINC000046087358 425864132 /nfs/dbraw/zinc/86/41/32/425864132.db2.gz LSEUXVRGNBXNGA-AWEZNQCLSA-N 1 1 316.445 2.654 50 0 DFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2nn(C)cc2Cl)cc1 ZINC000028243593 425820496 /nfs/dbraw/zinc/82/04/96/425820496.db2.gz YJAKTMUIUVPRFO-UHFFFAOYSA-N 1 1 315.764 2.820 50 0 DFAAMO CC(C)[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccccc1 ZINC000028842962 425823645 /nfs/dbraw/zinc/82/36/45/425823645.db2.gz WUSGALWDRJKQHF-UHFFFAOYSA-N 1 1 305.422 2.521 50 0 DFAAMO COc1ccc(C[N@@H+](C)CCC(=O)N2CCCCC2)cc1OC ZINC000046502586 425865193 /nfs/dbraw/zinc/86/51/93/425865193.db2.gz HLFAIRRPUZJOAG-UHFFFAOYSA-N 1 1 320.433 2.538 50 0 DFAAMO COc1ccc([C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000032186619 425838043 /nfs/dbraw/zinc/83/80/43/425838043.db2.gz YPZJYLXZURECSA-INIZCTEOSA-N 1 1 301.386 2.869 50 0 in-vitro DFAAMO O=c1c2c(ncn1Cc1[nH]cc[nH+]1)sc1c2CCCCCC1 ZINC000032561840 425839032 /nfs/dbraw/zinc/83/90/32/425839032.db2.gz ILPVLNBXOJQXJO-UHFFFAOYSA-N 1 1 314.414 2.888 50 0 DFAAMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)cn1 ZINC000035425907 425844317 /nfs/dbraw/zinc/84/43/17/425844317.db2.gz FGKOZDOLFPYEFW-ZDUSSCGKSA-N 1 1 300.362 2.830 50 0 biogenic,in-vitro DFAAMO Cc1ccccc1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036100001 425845034 /nfs/dbraw/zinc/84/50/34/425845034.db2.gz PFXDZIATOMTGIY-RBUKOAKNSA-N 1 1 321.461 2.762 50 0 DFAAMO CC(C)OC[C@H](O)C[N@@H+](Cc1cccn1C)Cc1ccccc1 ZINC000036098111 425845100 /nfs/dbraw/zinc/84/51/00/425845100.db2.gz HHFRYYRMHGATMM-LJQANCHMSA-N 1 1 316.445 2.813 50 0 DFAAMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036097020 425845136 /nfs/dbraw/zinc/84/51/36/425845136.db2.gz YJPZEAYIKCFAAC-MSOLQXFVSA-N 1 1 321.461 2.844 50 0 DFAAMO COCCC[N@H+](Cc1cccc(C)c1)C[C@H](O)COCC(C)C ZINC000036100507 425845320 /nfs/dbraw/zinc/84/53/20/425845320.db2.gz 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C[C@@H](NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2n(n1)CCC2 ZINC000414051283 428190072 /nfs/dbraw/zinc/19/00/72/428190072.db2.gz JEEWGUYAIZVIDM-RHSMWYFYSA-N 1 1 314.433 2.910 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@H]1C(N)=O ZINC000408473874 428668361 /nfs/dbraw/zinc/66/83/61/428668361.db2.gz OJJTZDJUTLTEOT-CZUORRHYSA-N 1 1 302.418 2.561 50 0 DFAAMO Cc1ccc[nH+]c1N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012429302 274813804 /nfs/dbraw/zinc/81/38/04/274813804.db2.gz UIRMXECPSIHQDT-KRWDZBQOSA-N 1 1 323.444 2.923 50 0 DFAAMO CC[N@H+](Cc1cc(OC)ccc1-n1cccn1)C[C@@H]1CCCO1 ZINC000220370079 276140291 /nfs/dbraw/zinc/14/02/91/276140291.db2.gz WCDLSRXYFHLCLZ-KRWDZBQOSA-N 1 1 315.417 2.882 50 0 DFAAMO CCOCC1(CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095524614 276313616 /nfs/dbraw/zinc/31/36/16/276313616.db2.gz RXTSBGPVVVIIFU-INIZCTEOSA-N 1 1 304.434 2.531 50 0 DFAAMO C[NH+](C)[C@H](CNC(=O)N1CCc2sccc2C1)c1ccco1 ZINC000044895076 276856280 /nfs/dbraw/zinc/85/62/80/276856280.db2.gz 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ZINC000568670953 430381870 /nfs/dbraw/zinc/38/18/70/430381870.db2.gz DETUDZILMZXWLK-GJZGRUSLSA-N 1 1 316.401 2.886 50 0 DFAAMO COC[C@@H]1C[C@H](OC)C[N@H+]1Cc1ncc(-c2ccccc2C)o1 ZINC000568670953 430381874 /nfs/dbraw/zinc/38/18/74/430381874.db2.gz DETUDZILMZXWLK-GJZGRUSLSA-N 1 1 316.401 2.886 50 0 DFAAMO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2cnoc2C2CC2)c1 ZINC000583614759 430411062 /nfs/dbraw/zinc/41/10/62/430411062.db2.gz IEKVIKCRCZUJFN-NVXWUHKLSA-N 1 1 314.385 2.869 50 0 DFAAMO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2cnoc2C2CC2)c1 ZINC000583614759 430411067 /nfs/dbraw/zinc/41/10/67/430411067.db2.gz IEKVIKCRCZUJFN-NVXWUHKLSA-N 1 1 314.385 2.869 50 0 DFAAMO C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCS1(=O)=O ZINC000097142367 278808350 /nfs/dbraw/zinc/80/83/50/278808350.db2.gz WVDOPGWCZGZOCS-SNVBAGLBSA-N 1 1 310.806 2.512 50 0 DFAAMO CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154054248 295291038 /nfs/dbraw/zinc/29/10/38/295291038.db2.gz CBFNLTXMPICLFP-INIZCTEOSA-N 1 1 319.445 2.805 50 0 DFAAMO CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CCOC2(CCC2)C1 ZINC000154054248 295291040 /nfs/dbraw/zinc/29/10/40/295291040.db2.gz CBFNLTXMPICLFP-INIZCTEOSA-N 1 1 319.445 2.805 50 0 DFAAMO Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC000041597647 301132900 /nfs/dbraw/zinc/13/29/00/301132900.db2.gz VTZMXSTZVJZSJO-AWEZNQCLSA-N 1 1 307.781 2.669 50 0 DFAAMO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc2c(c1)OCCO2 ZINC000182556490 316107401 /nfs/dbraw/zinc/10/74/01/316107401.db2.gz HCCNMWURUWQIDL-OCCSQVGLSA-N 1 1 301.390 2.993 50 0 DFAAMO COc1ccc2c(c1)CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC000097236159 323209402 /nfs/dbraw/zinc/20/94/02/323209402.db2.gz AABJNFWKXIMDRJ-UHFFFAOYSA-N 1 1 313.401 2.995 50 0 DFAAMO CCN1CCN([C@@H]2CC[N@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000191065990 323234175 /nfs/dbraw/zinc/23/41/75/323234175.db2.gz AYVLCJGFSDWJCR-QRVBRYPASA-N 1 1 305.510 2.691 50 0 DFAAMO CCN1CCN([C@@H]2CC[N@@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000191065990 323234180 /nfs/dbraw/zinc/23/41/80/323234180.db2.gz AYVLCJGFSDWJCR-QRVBRYPASA-N 1 1 305.510 2.691 50 0 DFAAMO CC(C)n1ccnc1CNC(=O)[C@@H](C)[N@@H+](C)C1CCCCC1 ZINC000534675232 334320577 /nfs/dbraw/zinc/32/05/77/334320577.db2.gz MZJRUUFZYDNWQR-CQSZACIVSA-N 1 1 306.454 2.733 50 0 DFAAMO Cc1noc(C)c1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328631177 534352763 /nfs/dbraw/zinc/35/27/63/534352763.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 1 1 314.433 2.811 50 0 DFAAMO Cc1noc(C)c1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328631177 534352766 /nfs/dbraw/zinc/35/27/66/534352766.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 1 1 314.433 2.811 50 0 DFAAMO Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328631177 534352774 /nfs/dbraw/zinc/35/27/74/534352774.db2.gz KEBCQUVHRDRJLM-WMZOPIPTSA-N 1 1 314.433 2.811 50 0 DFAAMO CC[C@@H](C(=O)[O-])[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000262369752 535438370 /nfs/dbraw/zinc/43/83/70/535438370.db2.gz JTYFXWSGULTKKQ-HKUYNNGSSA-N 1 1 316.445 2.838 50 0 DFAAMO CC[C@@H](C(=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262369752 535438375 /nfs/dbraw/zinc/43/83/75/535438375.db2.gz JTYFXWSGULTKKQ-HKUYNNGSSA-N 1 1 316.445 2.838 50 0 DFAAMO CC[C@@H](C(=O)[O-])[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262369752 535438380 /nfs/dbraw/zinc/43/83/80/535438380.db2.gz JTYFXWSGULTKKQ-HKUYNNGSSA-N 1 1 316.445 2.838 50 0 DFAAMO C[N@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1ccccc1C(=O)[O-] ZINC000216537477 563710388 /nfs/dbraw/zinc/71/03/88/563710388.db2.gz QHQWXIIOLOHJDA-UHFFFAOYSA-N 1 1 310.397 2.962 50 0 DFAAMO C[N@@H+](Cc1ccc2c(c1)C[NH+](C)C2)Cc1ccccc1C(=O)[O-] ZINC000216537477 563710393 /nfs/dbraw/zinc/71/03/93/563710393.db2.gz QHQWXIIOLOHJDA-UHFFFAOYSA-N 1 1 310.397 2.962 50 0 DFAAMO C[NH+](Cc1ccc2c(c1)C[N@@H+](C)C2)Cc1ccccc1C(=O)[O-] ZINC000216537477 563710397 /nfs/dbraw/zinc/71/03/97/563710397.db2.gz QHQWXIIOLOHJDA-UHFFFAOYSA-N 1 1 310.397 2.962 50 0 DFAAMO C[NH+](Cc1ccc2c(c1)C[N@H+](C)C2)Cc1ccccc1C(=O)[O-] ZINC000216537477 563710400 /nfs/dbraw/zinc/71/04/00/563710400.db2.gz QHQWXIIOLOHJDA-UHFFFAOYSA-N 1 1 310.397 2.962 50 0 DFAAMO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000169751769 563897214 /nfs/dbraw/zinc/89/72/14/563897214.db2.gz LXYVQXKSJYPPOP-CYBMUJFWSA-N 1 1 319.430 2.666 50 0 DFAAMO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000169751769 563897215 /nfs/dbraw/zinc/89/72/15/563897215.db2.gz LXYVQXKSJYPPOP-CYBMUJFWSA-N 1 1 319.430 2.666 50 0 DFAAMO CC[N@@H+](C)C1(CNC(=O)c2c(C)cccc2OC)CCCC1 ZINC000584884050 563925427 /nfs/dbraw/zinc/92/54/27/563925427.db2.gz IBUCEMMAURZFDS-UHFFFAOYSA-N 1 1 304.434 2.998 50 0 DFAAMO CC(C)n1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000299754491 563938932 /nfs/dbraw/zinc/93/89/32/563938932.db2.gz XZRHUZAGEQSYBJ-RDJZCZTQSA-N 1 1 318.465 2.801 50 0 DFAAMO c1cn(Cc2ccncc2)c(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000095519503 185376996 /nfs/dbraw/zinc/37/69/96/185376996.db2.gz VPYOHKANKKFTRD-UHFFFAOYSA-N 1 1 320.400 2.500 50 0 DFAAMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1nncs1 ZINC000076732697 185036974 /nfs/dbraw/zinc/03/69/74/185036974.db2.gz FWMGOMKNDJBTLS-JTQLQIEISA-N 1 1 324.837 2.693 50 0 DFAAMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000076732697 185036976 /nfs/dbraw/zinc/03/69/76/185036976.db2.gz FWMGOMKNDJBTLS-JTQLQIEISA-N 1 1 324.837 2.693 50 0 DFAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(C(C)C)n1 ZINC000076958547 185060854 /nfs/dbraw/zinc/06/08/54/185060854.db2.gz MZICCZCMYFEACI-OAHLLOKOSA-N 1 1 320.481 2.878 50 0 DFAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(C(C)C)n1 ZINC000076958546 185061086 /nfs/dbraw/zinc/06/10/86/185061086.db2.gz MZICCZCMYFEACI-HNNXBMFYSA-N 1 1 320.481 2.878 50 0 DFAAMO CCc1nnc(C[N@H+](C)C[C@@H]2CCOc3ccccc3C2)o1 ZINC000095523710 185377613 /nfs/dbraw/zinc/37/76/13/185377613.db2.gz QXMFZOJXDDSJAB-CYBMUJFWSA-N 1 1 301.390 2.705 50 0 DFAAMO CCc1nnc(C[N@@H+](C)C[C@@H]2CCOc3ccccc3C2)o1 ZINC000095523710 185377614 /nfs/dbraw/zinc/37/76/14/185377614.db2.gz QXMFZOJXDDSJAB-CYBMUJFWSA-N 1 1 301.390 2.705 50 0 DFAAMO CCc1cc(CN(C)C(=O)[C@H](C)n2cc[nH+]c2C(C)C)on1 ZINC000095526801 185378081 /nfs/dbraw/zinc/37/80/81/185378081.db2.gz QZLDJFBISNZXRI-LBPRGKRZSA-N 1 1 304.394 2.777 50 0 DFAAMO c1cn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cn1 ZINC000181285705 199276062 /nfs/dbraw/zinc/27/60/62/199276062.db2.gz PSYGSGIBKDATLG-MRXNPFEDSA-N 1 1 322.416 2.548 50 0 DFAAMO C[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1ccc(F)cc1 ZINC000230478648 398356603 /nfs/dbraw/zinc/35/66/03/398356603.db2.gz PIBFFSIGIXQXPI-FRFSOERESA-N 1 1 304.409 2.920 50 0 DFAAMO C[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccsc1 ZINC000230192790 398356654 /nfs/dbraw/zinc/35/66/54/398356654.db2.gz GEZCEXQNDBMROR-IJEWVQPXSA-N 1 1 321.490 2.977 50 0 DFAAMO Cn1cc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Cl)cn1 ZINC000229558777 398354862 /nfs/dbraw/zinc/35/48/62/398354862.db2.gz LXPBHWFMRTWRNS-HZPDHXFCSA-N 1 1 305.809 2.944 50 0 DFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(F)cc2)c1 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427821035 /nfs/dbraw/zinc/82/10/35/427821035.db2.gz FCOOOBNGHHJNRD-KSZLIROESA-N 1 1 319.445 2.544 50 0 DFAAMO O=C(NCc1ccc(Cl)s1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000372531501 428457209 /nfs/dbraw/zinc/45/72/09/428457209.db2.gz LCSQISSYXVEGEN-JTQLQIEISA-N 1 1 324.837 2.660 50 0 DFAAMO Brc1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000006726530 275369005 /nfs/dbraw/zinc/36/90/05/275369005.db2.gz MJANUFLPRSVKPI-UHFFFAOYSA-N 1 1 312.207 2.788 50 0 DFAAMO CN(Cc1ccccc1Cl)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426734291 429411975 /nfs/dbraw/zinc/41/19/75/429411975.db2.gz LKUBKAVJNSSOEW-LBPRGKRZSA-N 1 1 318.808 2.853 50 0 DFAAMO CC1CC[NH+](CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 ZINC000009950984 275940267 /nfs/dbraw/zinc/94/02/67/275940267.db2.gz UBPFFTIVDRRGCW-RDTXWAMCSA-N 1 1 321.465 2.813 50 0 DFAAMO CC[N@H+](Cc1cc2c(cc1OC)OCCCO2)C[C@H]1CCCO1 ZINC000219313855 276140308 /nfs/dbraw/zinc/14/03/08/276140308.db2.gz XMPWRCMGFRWYFV-OAHLLOKOSA-N 1 1 321.417 2.857 50 0 DFAAMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004263714 277112974 /nfs/dbraw/zinc/11/29/74/277112974.db2.gz XUUMJMMQAPWYAE-VBQJREDUSA-N 1 1 305.418 2.607 50 0 DFAAMO COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2Cc2ncc(C)o2)cc1 ZINC000583615614 430411085 /nfs/dbraw/zinc/41/10/85/430411085.db2.gz PYEDFLIGKQPMER-FUHWJXTLSA-N 1 1 316.401 2.864 50 0 DFAAMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000583619722 430411166 /nfs/dbraw/zinc/41/11/66/430411166.db2.gz UXOQIIYMVNPCRU-BZUAXINKSA-N 1 1 306.406 2.568 50 0 DFAAMO CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1cnoc1C1CC1 ZINC000583619722 430411172 /nfs/dbraw/zinc/41/11/72/430411172.db2.gz UXOQIIYMVNPCRU-BZUAXINKSA-N 1 1 306.406 2.568 50 0 DFAAMO COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2cc(C)no2)cc1 ZINC000583615649 430411298 /nfs/dbraw/zinc/41/12/98/430411298.db2.gz WUFWPSIGBASKES-ROUUACIJSA-N 1 1 316.401 2.864 50 0 DFAAMO C[C@H]1SCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]1C ZINC000071911151 280090263 /nfs/dbraw/zinc/09/02/63/280090263.db2.gz DURHAQDFGAYOAC-WDEREUQCSA-N 1 1 323.849 2.674 50 0 DFAAMO Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c1C ZINC000078459158 280385301 /nfs/dbraw/zinc/38/53/01/280385301.db2.gz ZAQOUSPRKYJEBO-CYBMUJFWSA-N 1 1 324.490 2.681 50 0 DFAAMO Cc1nc2c(s1)[C@H]([NH2+]Cc1nnc3n1CCCC3)CCC2 ZINC000183868971 282044205 /nfs/dbraw/zinc/04/42/05/282044205.db2.gz SUFYUYNWEQSGNC-LLVKDONJSA-N 1 1 303.435 2.547 50 0 DFAAMO C[C@H](c1ccc(F)cc1F)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000071909031 290232710 /nfs/dbraw/zinc/23/27/10/290232710.db2.gz PRERJOMIHIBBEO-GDBMZVCRSA-N 1 1 323.431 2.738 50 0 DFAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)N1CCc2sccc2C1 ZINC000040145625 290387874 /nfs/dbraw/zinc/38/78/74/290387874.db2.gz PQYBNFHXYOPXSO-ZDUSSCGKSA-N 1 1 307.463 2.690 50 0 DFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCOC3(CCC3)C2)c1C ZINC000154226165 295294750 /nfs/dbraw/zinc/29/47/50/295294750.db2.gz DGAPFNJCOYKEDA-KRWDZBQOSA-N 1 1 319.445 2.606 50 0 DFAAMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCOC3(CCC3)C2)c1C ZINC000154226165 295294751 /nfs/dbraw/zinc/29/47/51/295294751.db2.gz DGAPFNJCOYKEDA-KRWDZBQOSA-N 1 1 319.445 2.606 50 0 DFAAMO Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)no1 ZINC000041597650 301133427 /nfs/dbraw/zinc/13/34/27/301133427.db2.gz VTZMXSTZVJZSJO-CQSZACIVSA-N 1 1 307.781 2.669 50 0 DFAAMO Cc1cc(CN(C)C(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)on1 ZINC000215653928 301270426 /nfs/dbraw/zinc/27/04/26/301270426.db2.gz KAPDZBLZQZNHRO-INIZCTEOSA-N 1 1 301.390 2.553 50 0 DFAAMO C[C@]1(CNCc2csnn2)CCC[N@H+]1Cc1ccccc1 ZINC000154808400 323214172 /nfs/dbraw/zinc/21/41/72/323214172.db2.gz KMFSHXRZDDVBFA-MRXNPFEDSA-N 1 1 302.447 2.682 50 0 DFAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2N2CCCC2)C1 ZINC000534589036 334293500 /nfs/dbraw/zinc/29/35/00/334293500.db2.gz UZQUSIWUTFCXPK-OAHLLOKOSA-N 1 1 301.434 2.501 50 0 DFAAMO C[C@H](CN1CCN(C)CC1)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534590722 334294016 /nfs/dbraw/zinc/29/40/16/334294016.db2.gz KMBLNJMYFSOFNT-OAHLLOKOSA-N 1 1 321.896 2.597 50 0 DFAAMO Cc1[nH+]ccn1CC(=O)NCC1(c2cccc(F)c2)CCCC1 ZINC000534644244 334306494 /nfs/dbraw/zinc/30/64/94/334306494.db2.gz XLWUHUUOEFTDOU-UHFFFAOYSA-N 1 1 315.392 2.959 50 0 DFAAMO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000534639328 334310519 /nfs/dbraw/zinc/31/05/19/334310519.db2.gz WOMXWVFTEKZBKS-KRWDZBQOSA-N 1 1 314.433 2.718 50 0 DFAAMO CSCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534641451 334311493 /nfs/dbraw/zinc/31/14/93/334311493.db2.gz UUIHBIAAPQIMTE-CQSZACIVSA-N 1 1 312.866 2.956 50 0 DFAAMO Cc1cc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)ccc1O ZINC000534663366 334322965 /nfs/dbraw/zinc/32/29/65/334322965.db2.gz LXHCLQNYXLOAIE-LJQANCHMSA-N 1 1 313.397 2.733 50 0 DFAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000004150757 500778440 /nfs/dbraw/zinc/77/84/40/500778440.db2.gz GNYNHSAEVPAYHT-CQSZACIVSA-N 1 1 317.389 2.729 50 0 DFAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2F)N3)C1 ZINC000004150757 500778443 /nfs/dbraw/zinc/77/84/43/500778443.db2.gz GNYNHSAEVPAYHT-CQSZACIVSA-N 1 1 317.389 2.729 50 0 DFAAMO Cc1cc(C[N@@H+]2C[C@H](c3nnc(C(C)C)[nH]3)[C@@H](C3CC3)C2)on1 ZINC000685942697 546412086 /nfs/dbraw/zinc/41/20/86/546412086.db2.gz MDFUZGWCGDZTLC-CABCVRRESA-N 1 1 315.421 2.850 50 0 DFAAMO Cc1cc(C[N@H+]2C[C@H](c3nc(C(C)C)n[nH]3)[C@@H](C3CC3)C2)on1 ZINC000685942697 546412089 /nfs/dbraw/zinc/41/20/89/546412089.db2.gz MDFUZGWCGDZTLC-CABCVRRESA-N 1 1 315.421 2.850 50 0 DFAAMO Cc1cc(C[N@@H+]2C[C@H](c3nc(C(C)C)n[nH]3)[C@@H](C3CC3)C2)on1 ZINC000685942697 546412090 /nfs/dbraw/zinc/41/20/90/546412090.db2.gz MDFUZGWCGDZTLC-CABCVRRESA-N 1 1 315.421 2.850 50 0 DFAAMO CCc1nnc([C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000299754020 563938916 /nfs/dbraw/zinc/93/89/16/563938916.db2.gz LNFOGTPUJVYHDK-JKSUJKDBSA-N 1 1 312.417 2.818 50 0 DFAAMO CCc1nnc([C@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)[nH]1 ZINC000299754020 563938917 /nfs/dbraw/zinc/93/89/17/563938917.db2.gz LNFOGTPUJVYHDK-JKSUJKDBSA-N 1 1 312.417 2.818 50 0 DFAAMO CCCN(Cc1nccn1C)C(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000095519598 185377071 /nfs/dbraw/zinc/37/70/71/185377071.db2.gz GKFDRGYULIKGLV-AWEZNQCLSA-N 1 1 317.437 2.740 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)N1CC(c2ccccn2)C1)[NH+](C)C ZINC000095519200 185377227 /nfs/dbraw/zinc/37/72/27/185377227.db2.gz SDPKGHUGJAMCIS-GOSISDBHSA-N 1 1 309.413 2.619 50 0 DFAAMO CCc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCCOC)C2)c1 ZINC000095524952 185377739 /nfs/dbraw/zinc/37/77/39/185377739.db2.gz HOFFVEJMJZEHLZ-MRXNPFEDSA-N 1 1 319.449 2.729 50 0 DFAAMO COc1cccc(C[NH2+]Cc2ccc(C)nc2N2CCCC2)n1 ZINC000225387667 398348427 /nfs/dbraw/zinc/34/84/27/398348427.db2.gz NXCUPQUUVLFDIH-UHFFFAOYSA-N 1 1 312.417 2.684 50 0 DFAAMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCCSCC(C)C)C1 ZINC000089984746 185274522 /nfs/dbraw/zinc/27/45/22/185274522.db2.gz IQXUKKJPBNRNKS-CQSZACIVSA-N 1 1 302.484 2.976 50 0 DFAAMO C[C@H](CCc1ccco1)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000090522493 185300290 /nfs/dbraw/zinc/30/02/90/185300290.db2.gz BTZSJBQSCWPDMS-LZQZEXGQSA-N 1 1 320.477 2.958 50 0 DFAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082120327 192357885 /nfs/dbraw/zinc/35/78/85/192357885.db2.gz IBFAKYLDWLRXFD-LBPRGKRZSA-N 1 1 305.451 2.775 50 0 DFAAMO CN(Cc1nccs1)C(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095388972 185351139 /nfs/dbraw/zinc/35/11/39/185351139.db2.gz QTMQLDIMHWZQKL-AWEZNQCLSA-N 1 1 307.394 2.544 50 0 DFAAMO Cc1c(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cnn1C ZINC000095390237 185351517 /nfs/dbraw/zinc/35/15/17/185351517.db2.gz JDNQUQQEIJLGEA-AZUAARDMSA-N 1 1 324.472 2.825 50 0 DFAAMO O=C(c1cncc(F)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095390588 185351567 /nfs/dbraw/zinc/35/15/67/185351567.db2.gz SBPWDFZRZCHQTM-RHSMWYFYSA-N 1 1 317.408 2.557 50 0 DFAAMO Cc1csc(CCCNC(=O)CC[C@H]2CCC[N@H+](C)C2)n1 ZINC000095390222 185351622 /nfs/dbraw/zinc/35/16/22/185351622.db2.gz RHXPWPBVECFQJH-CQSZACIVSA-N 1 1 309.479 2.622 50 0 DFAAMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000095397388 185353227 /nfs/dbraw/zinc/35/32/27/185353227.db2.gz IKIQBMSQIDGKNP-JQWIXIFHSA-N 1 1 319.380 2.786 50 0 DFAAMO CC(C)[N@@H+](CCNC(=O)N[C@@H](c1nccs1)C1CC1)C1CC1 ZINC000095404591 185355477 /nfs/dbraw/zinc/35/54/77/185355477.db2.gz BOBWABLQXHOMNR-CQSZACIVSA-N 1 1 322.478 2.766 50 0 DFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 ZINC000095407649 185356154 /nfs/dbraw/zinc/35/61/54/185356154.db2.gz XBNHUGGRMPFNGY-CYBMUJFWSA-N 1 1 319.453 2.580 50 0 DFAAMO C[C@@H]1CN(c2cc(CNc3cc[nH+]cc3Cl)ccn2)CCO1 ZINC000095408663 185356599 /nfs/dbraw/zinc/35/65/99/185356599.db2.gz IBOKNFUYERQAME-GFCCVEGCSA-N 1 1 318.808 2.967 50 0 DFAAMO C[C@H]1CN(c2cc(CNc3cc[nH+]cc3Cl)ccn2)CCO1 ZINC000095408664 185356727 /nfs/dbraw/zinc/35/67/27/185356727.db2.gz IBOKNFUYERQAME-LBPRGKRZSA-N 1 1 318.808 2.967 50 0 DFAAMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CCO)cc1 ZINC000095417566 185359190 /nfs/dbraw/zinc/35/91/90/185359190.db2.gz YRSVUKKWEYMCTO-UHFFFAOYSA-N 1 1 301.390 2.570 50 0 DFAAMO 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COCc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000046954143 425867125 /nfs/dbraw/zinc/86/71/25/425867125.db2.gz HBXKFYGLEZVHBB-CABCVRRESA-N 1 1 304.434 2.683 50 0 DFAAMO O[C@@H](C[NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000048264125 425874089 /nfs/dbraw/zinc/87/40/89/425874089.db2.gz STHSWMLNBKSBSJ-ZDUSSCGKSA-N 1 1 301.371 2.621 50 0 DFAAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000048342047 425874518 /nfs/dbraw/zinc/87/45/18/425874518.db2.gz BQNZOYRRUKKPLA-GFCCVEGCSA-N 1 1 318.446 2.662 50 0 DFAAMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000049171177 425878965 /nfs/dbraw/zinc/87/89/65/425878965.db2.gz YATCZFFLRRCIEC-ZDUSSCGKSA-N 1 1 311.385 2.648 50 0 biogenic,in-vitro DFAAMO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1nc(-c2cccs2)no1 ZINC000069415982 425938807 /nfs/dbraw/zinc/93/88/07/425938807.db2.gz MOOFGKOKZFVHBI-MNOVXSKESA-N 1 1 303.391 2.734 50 0 DFAAMO c1cn(-c2ccccc2C[NH+]2CCOCC2)c(-c2ccncc2)n1 ZINC000071613848 425987626 /nfs/dbraw/zinc/98/76/26/425987626.db2.gz 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/nfs/dbraw/zinc/13/92/84/426139284.db2.gz ABXVRVXWKPLLGR-STQMWFEESA-N 1 1 323.437 2.544 50 0 DFAAMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1Cl ZINC000078254846 426162818 /nfs/dbraw/zinc/16/28/18/426162818.db2.gz FUSOSWFLPYOXOO-OAHLLOKOSA-N 1 1 315.841 2.574 50 0 DFAAMO Cc1ccc(C)c(C[N@H+](C)C[C@@H](O)COCCOC(C)C)c1 ZINC000078601920 426176893 /nfs/dbraw/zinc/17/68/93/426176893.db2.gz MDWWFSZJJJVSIY-GOSISDBHSA-N 1 1 309.450 2.538 50 0 DFAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc2cn[nH]c21 ZINC000172838733 426231284 /nfs/dbraw/zinc/23/12/84/426231284.db2.gz IQFCHASSNLZQJJ-CQSZACIVSA-N 1 1 300.406 2.509 50 0 DFAAMO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc2c[nH]nc21 ZINC000172838733 426231286 /nfs/dbraw/zinc/23/12/86/426231286.db2.gz IQFCHASSNLZQJJ-CQSZACIVSA-N 1 1 300.406 2.509 50 0 DFAAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc2c[nH]nc21 ZINC000172838733 426231288 /nfs/dbraw/zinc/23/12/88/426231288.db2.gz IQFCHASSNLZQJJ-CQSZACIVSA-N 1 1 300.406 2.509 50 0 DFAAMO Cc1csc(=O)n1CC[N@H+](Cc1cccc(O)c1)CC1CC1 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DFAAMO COCCn1cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cn1 ZINC000089905479 426317191 /nfs/dbraw/zinc/31/71/91/426317191.db2.gz LGPPJDBEISTSGG-WBVHZDCISA-N 1 1 314.433 2.777 50 0 DFAAMO C[C@H](Nc1cc[nH+]cc1Cl)c1cccc(S(N)(=O)=O)c1 ZINC000089905339 426317409 /nfs/dbraw/zinc/31/74/09/426317409.db2.gz WZYXPBVARJMYHV-VIFPVBQESA-N 1 1 311.794 2.556 50 0 DFAAMO CCS[C@H]1CCCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000089275179 426284804 /nfs/dbraw/zinc/28/48/04/426284804.db2.gz NKTZXMYSCWKSBR-QWRGUYRKSA-N 1 1 312.401 2.661 50 0 DFAAMO CCCOCC[N@@H+]1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1 ZINC000096137071 426400837 /nfs/dbraw/zinc/40/08/37/426400837.db2.gz FWGMPYTXQRPRCA-UHFFFAOYSA-N 1 1 315.417 2.870 50 0 DFAAMO CCCOCC[N@H+]1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1 ZINC000096137071 426400842 /nfs/dbraw/zinc/40/08/42/426400842.db2.gz FWGMPYTXQRPRCA-UHFFFAOYSA-N 1 1 315.417 2.870 50 0 DFAAMO Cc1nn(C)c2nc(NCCC[N@@H+]3CCC[C@@H](C)C3)sc12 ZINC000096180326 426403153 /nfs/dbraw/zinc/40/31/53/426403153.db2.gz DBMGBKNXGCNXTE-LLVKDONJSA-N 1 1 307.467 2.872 50 0 DFAAMO C[C@]1(O)CC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C[C@@H]1O ZINC000096179851 426403679 /nfs/dbraw/zinc/40/36/79/426403679.db2.gz FHIFWOAEBLQZQE-OALUTQOASA-N 1 1 313.397 2.797 50 0 DFAAMO C=Cc1ccc(NC(=O)NCCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000096164249 426403715 /nfs/dbraw/zinc/40/37/15/426403715.db2.gz HKADXBLOCUBIAI-KRWDZBQOSA-N 1 1 317.433 2.688 50 0 DFAAMO CCN(CC1CCOCC1)C(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000091494043 426341445 /nfs/dbraw/zinc/34/14/45/426341445.db2.gz LFOOFMZGVPFYOZ-SFHVURJKSA-N 1 1 318.461 2.873 50 0 DFAAMO Cc1ccc([C@H](C(=O)N2CCc3ncccc3C2)[NH+](C)C)cc1 ZINC000092037524 426346375 /nfs/dbraw/zinc/34/63/75/426346375.db2.gz PHLMILQPIWMKRO-GOSISDBHSA-N 1 1 309.413 2.578 50 0 DFAAMO CCc1cc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)on1 ZINC000095353275 426367022 /nfs/dbraw/zinc/36/70/22/426367022.db2.gz VKJUSEGRYONAPQ-MRXNPFEDSA-N 1 1 319.380 2.637 50 0 DFAAMO COc1cc2c(cc1CNC(=O)[C@@H]1CCCCC[N@H+]1C)CCC2 ZINC000095362685 426367677 /nfs/dbraw/zinc/36/76/77/426367677.db2.gz DOBYTACKCNDRNC-KRWDZBQOSA-N 1 1 316.445 2.675 50 0 DFAAMO Cc1cccc([C@H](C(=O)NCc2cnc(C)cc2C)[NH+](C)C)c1 ZINC000095380994 426371488 /nfs/dbraw/zinc/37/14/88/426371488.db2.gz GYOWOSZDYSFAMF-GOSISDBHSA-N 1 1 311.429 2.926 50 0 DFAAMO Nc1ncccc1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095380116 426371535 /nfs/dbraw/zinc/37/15/35/426371535.db2.gz ULMDCLAZVDCPOG-PKOBYXMFSA-N 1 1 322.456 2.760 50 0 DFAAMO Cc1nn(C)c2nc(N3CCC[C@@]4(CCC[N@@H+](C)C4)C3)sc12 ZINC000095505741 426373878 /nfs/dbraw/zinc/37/38/78/426373878.db2.gz JDQFGGQJKGOJKT-MRXNPFEDSA-N 1 1 319.478 2.650 50 0 DFAAMO CCCOc1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1OC ZINC000095940828 426374807 /nfs/dbraw/zinc/37/48/07/426374807.db2.gz RDVHEWHDTIGXCQ-LRTDBIEQSA-N 1 1 313.463 2.683 50 0 DFAAMO Cc1nc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)sc1C ZINC000176362418 426375031 /nfs/dbraw/zinc/37/50/31/426375031.db2.gz FEJJTFSZOWTYOR-CYBMUJFWSA-N 1 1 317.462 2.677 50 0 DFAAMO Cc1cc2ncnc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2cc1C ZINC000095945042 426375780 /nfs/dbraw/zinc/37/57/80/426375780.db2.gz ZFRSCLHIKYHLCP-OAHLLOKOSA-N 1 1 312.417 2.522 50 0 DFAAMO Cc1cc2ncnc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2cc1C ZINC000095945042 426375784 /nfs/dbraw/zinc/37/57/84/426375784.db2.gz ZFRSCLHIKYHLCP-OAHLLOKOSA-N 1 1 312.417 2.522 50 0 DFAAMO CC1CC[NH+](CC(=O)Nc2cc(Br)ccn2)CC1 ZINC000095946200 426376207 /nfs/dbraw/zinc/37/62/07/426376207.db2.gz VUFZCSFDTJKVBG-UHFFFAOYSA-N 1 1 312.211 2.515 50 0 DFAAMO CCc1ccc(C(=O)Nc2ccc3c(c2)N(C)CC[N@H+](C)C3)o1 ZINC000095986353 426383963 /nfs/dbraw/zinc/38/39/63/426383963.db2.gz CVWPTRAJBJWWGI-UHFFFAOYSA-N 1 1 313.401 2.976 50 0 DFAAMO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000096404740 426414935 /nfs/dbraw/zinc/41/49/35/426414935.db2.gz AFFBCRQVVOJCRE-HZPDHXFCSA-N 1 1 304.821 2.750 50 0 DFAAMO CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096419597 426419548 /nfs/dbraw/zinc/41/95/48/426419548.db2.gz PZDVNEQDBPUAAA-BBWFWOEESA-N 1 1 302.418 2.890 50 0 DFAAMO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000096430905 426423007 /nfs/dbraw/zinc/42/30/07/426423007.db2.gz VLBAJGJWFNAKLR-HZMVEIRTSA-N 1 1 310.482 2.770 50 0 DFAAMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000096432448 426423429 /nfs/dbraw/zinc/42/34/29/426423429.db2.gz SSXFEHZQFYVOLK-DZGCQCFKSA-N 1 1 304.459 2.676 50 0 DFAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000096434599 426424004 /nfs/dbraw/zinc/42/40/04/426424004.db2.gz SAJIRYGZVIUJDQ-LBPRGKRZSA-N 1 1 308.426 2.778 50 0 DFAAMO Cc1nc(C(C)(C)[NH2+]CC(=O)NCc2cccs2)sc1C ZINC000096443574 426426593 /nfs/dbraw/zinc/42/65/93/426426593.db2.gz RFLITAOMKUZYCG-UHFFFAOYSA-N 1 1 323.487 2.963 50 0 DFAAMO C[N@@H+](C[C@H]1CCCCO1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096445679 426426893 /nfs/dbraw/zinc/42/68/93/426426893.db2.gz RKRGSIZSSBYKBZ-OAHLLOKOSA-N 1 1 312.454 2.887 50 0 DFAAMO CC[C@@](C)([NH2+]CC(=O)N1CCc2ccccc21)c1nccs1 ZINC000096443430 426427031 /nfs/dbraw/zinc/42/70/31/426427031.db2.gz WMECZDDCSLRAKW-QGZVFWFLSA-N 1 1 315.442 2.947 50 0 DFAAMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CCS(C)(=O)=O ZINC000096447088 426428302 /nfs/dbraw/zinc/42/83/02/426428302.db2.gz QKPDKYALGOPUSM-NWDGAFQWSA-N 1 1 303.855 2.808 50 0 DFAAMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCS(C)(=O)=O ZINC000096447088 426428306 /nfs/dbraw/zinc/42/83/06/426428306.db2.gz QKPDKYALGOPUSM-NWDGAFQWSA-N 1 1 303.855 2.808 50 0 DFAAMO Cc1nnc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)o1 ZINC000096455356 426430394 /nfs/dbraw/zinc/43/03/94/426430394.db2.gz JXTMKOXXTVJKPQ-MRXNPFEDSA-N 1 1 301.390 2.640 50 0 DFAAMO Cc1nnc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)o1 ZINC000096455356 426430397 /nfs/dbraw/zinc/43/03/97/426430397.db2.gz JXTMKOXXTVJKPQ-MRXNPFEDSA-N 1 1 301.390 2.640 50 0 DFAAMO O=C1CCC(=O)N1CC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000096481031 426433060 /nfs/dbraw/zinc/43/30/60/426433060.db2.gz RYAXJSGTOMCTJS-APWZRJJASA-N 1 1 312.413 2.537 50 0 DFAAMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000096489709 426434179 /nfs/dbraw/zinc/43/41/79/426434179.db2.gz TVBQVGGLKOBPKC-CYBMUJFWSA-N 1 1 315.417 2.918 50 0 DFAAMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000096489709 426434181 /nfs/dbraw/zinc/43/41/81/426434181.db2.gz TVBQVGGLKOBPKC-CYBMUJFWSA-N 1 1 315.417 2.918 50 0 DFAAMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C1 ZINC000096489870 426435922 /nfs/dbraw/zinc/43/59/22/426435922.db2.gz XQIWUNKVPDRRRN-MRXNPFEDSA-N 1 1 314.360 2.883 50 0 DFAAMO CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000096492878 426436049 /nfs/dbraw/zinc/43/60/49/426436049.db2.gz DSHAIKMWMGMPRU-WMLDXEAASA-N 1 1 304.434 2.599 50 0 DFAAMO Cc1cc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)no1 ZINC000096493144 426436312 /nfs/dbraw/zinc/43/63/12/426436312.db2.gz UKMYQKPXGXAERT-KRWDZBQOSA-N 1 1 300.358 2.995 50 0 DFAAMO CC[C@@H](C)Oc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccn1 ZINC000096495015 426436646 /nfs/dbraw/zinc/43/66/46/426436646.db2.gz JSHGUJDXYGJFDQ-OAHLLOKOSA-N 1 1 319.449 2.815 50 0 DFAAMO C[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccsc1 ZINC000096499807 426437057 /nfs/dbraw/zinc/43/70/57/426437057.db2.gz GEZCEXQNDBMROR-FMKPAKJESA-N 1 1 321.490 2.977 50 0 DFAAMO CCC[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1)C(=O)OC ZINC000097164443 426456410 /nfs/dbraw/zinc/45/64/10/426456410.db2.gz YPAOXLHGHKUXDF-SJORKVTESA-N 1 1 318.461 2.971 50 0 DFAAMO Cn1cc(C2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)cn1 ZINC000097203180 426458800 /nfs/dbraw/zinc/45/88/00/426458800.db2.gz XIHUVNLTZRLPFK-UHFFFAOYSA-N 1 1 321.428 2.985 50 0 DFAAMO COc1cccc2cc(C[NH2+]Cc3cc(C(N)=O)cs3)oc21 ZINC000097228851 426460219 /nfs/dbraw/zinc/46/02/19/426460219.db2.gz NAPWPXNKYMMVOV-UHFFFAOYSA-N 1 1 316.382 2.892 50 0 DFAAMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000097236612 426461455 /nfs/dbraw/zinc/46/14/55/426461455.db2.gz ZUNOQSLBYKIHNR-SJORKVTESA-N 1 1 314.360 2.707 50 0 DFAAMO C[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000097236612 426461457 /nfs/dbraw/zinc/46/14/57/426461457.db2.gz ZUNOQSLBYKIHNR-SJORKVTESA-N 1 1 314.360 2.707 50 0 DFAAMO CC(C)c1[nH+]ccn1CC(=O)NCCc1cccc2cccnc21 ZINC000097236168 426461930 /nfs/dbraw/zinc/46/19/30/426461930.db2.gz ZVSCPDOVDNQZND-UHFFFAOYSA-N 1 1 322.412 2.914 50 0 DFAAMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)CCc2cccc(F)c2)C1 ZINC000097371347 426464236 /nfs/dbraw/zinc/46/42/36/426464236.db2.gz HNTZTDAEGXXAMI-YOEHRIQHSA-N 1 1 306.425 2.947 50 0 DFAAMO CCSc1ncc(C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)cn1 ZINC000097402544 426467020 /nfs/dbraw/zinc/46/70/20/426467020.db2.gz TVXLIKKLYRFNLP-HNNXBMFYSA-N 1 1 317.462 2.849 50 0 DFAAMO CCSc1ncc(C[N@H+]2CC[C@H](n3nc(C)cc3C)C2)cn1 ZINC000097402544 426467024 /nfs/dbraw/zinc/46/70/24/426467024.db2.gz TVXLIKKLYRFNLP-HNNXBMFYSA-N 1 1 317.462 2.849 50 0 DFAAMO CC(C)Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)on1 ZINC000097546702 426469470 /nfs/dbraw/zinc/46/94/70/426469470.db2.gz 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COc1ccc([C@@](C)(O)[C@@H]2CCC[N@H+]2Cc2cnoc2C)cc1 ZINC000583624118 430414121 /nfs/dbraw/zinc/41/41/21/430414121.db2.gz RSOYSUGXKWWZKN-ZWKOTPCHSA-N 1 1 316.401 2.864 50 0 DFAAMO COc1c(C[NH2+][C@H]2CCOc3c(C)cc(C)cc32)c(C)nn1C ZINC000058407391 277788183 /nfs/dbraw/zinc/78/81/83/277788183.db2.gz BIHHBULYLJGKNC-INIZCTEOSA-N 1 1 315.417 2.967 50 0 DFAAMO CC(C)c1nc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000058563058 278071631 /nfs/dbraw/zinc/07/16/31/278071631.db2.gz MBCITJZSLZYJEL-OAHLLOKOSA-N 1 1 309.479 2.563 50 0 DFAAMO CC(C)(C)OC(=O)N1CCC(C[NH3+])(N2CCCCCC2)CC1 ZINC000058041180 278381733 /nfs/dbraw/zinc/38/17/33/278381733.db2.gz MKUPGBYKNSHDEW-UHFFFAOYSA-N 1 1 311.470 2.591 50 0 DFAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1F ZINC000056502913 279307792 /nfs/dbraw/zinc/30/77/92/279307792.db2.gz LWRLNZCDKICOAT-ZIAGYGMSSA-N 1 1 307.413 2.745 50 0 DFAAMO C[NH+](C)[C@@H]1CCC[N@@H+](CCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000299772036 289296399 /nfs/dbraw/zinc/29/63/99/289296399.db2.gz 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521729797 /nfs/dbraw/zinc/72/97/97/521729797.db2.gz RMPOAYOBHJYZPS-ZDUSSCGKSA-N 1 1 317.389 2.543 50 0 DFAAMO O=c1cc(C[N@@H+]2CCCC[C@H]2CCO)[nH]c2ccc(F)cc12 ZINC000091269810 527562485 /nfs/dbraw/zinc/56/24/85/527562485.db2.gz GVDDMEIJMJYMOT-AWEZNQCLSA-N 1 1 304.365 2.816 50 0 DFAAMO CC(C)OCCCN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000328606896 527937947 /nfs/dbraw/zinc/93/79/47/527937947.db2.gz TWNRRSRBQMACFQ-SFHVURJKSA-N 1 1 305.466 2.841 50 0 DFAAMO Fc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940011 546412203 /nfs/dbraw/zinc/41/22/03/546412203.db2.gz KIYDVBLDCKDQPF-HKUYNNGSSA-N 1 1 324.403 2.937 50 0 DFAAMO O[C@H](COc1cccc(CN2CCC2)c1)C[NH+]1CCCCCC1 ZINC000095507982 185376007 /nfs/dbraw/zinc/37/60/07/185376007.db2.gz NSBDSTOJEANKOZ-SFHVURJKSA-N 1 1 318.461 2.508 50 0 DFAAMO Cc1nn(C)c2nc(N(C)C[C@@H]3CC[N@H+](CC(C)C)C3)sc12 ZINC000095511187 185376165 /nfs/dbraw/zinc/37/61/65/185376165.db2.gz BBDHSMZMBDSCHF-ZDUSSCGKSA-N 1 1 321.494 2.752 50 0 DFAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1c(C)noc1C ZINC000095518670 185376790 /nfs/dbraw/zinc/37/67/90/185376790.db2.gz FJUZJONJMKJNSE-JKSUJKDBSA-N 1 1 317.433 2.680 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)N1CC(c2cccnc2)C1)[NH+](C)C ZINC000095517548 185376936 /nfs/dbraw/zinc/37/69/36/185376936.db2.gz DBXKVDQPGBZHBR-GOSISDBHSA-N 1 1 309.413 2.619 50 0 DFAAMO Cc1cnc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)o1 ZINC000328646526 231282722 /nfs/dbraw/zinc/28/27/22/231282722.db2.gz SQEIHQDWSVHZEQ-RDJZCZTQSA-N 1 1 300.406 2.503 50 0 DFAAMO COc1c([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2)c(C)nn1C ZINC000229510190 398354757 /nfs/dbraw/zinc/35/47/57/398354757.db2.gz MADYBCYGPJZGMX-JKSUJKDBSA-N 1 1 315.417 2.608 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2C[C@@H](O)c2cccc(F)c2)c1 ZINC000229491551 398355223 /nfs/dbraw/zinc/35/52/23/398355223.db2.gz UXLATPQNUYUQEL-IAGOWNOFSA-N 1 1 303.381 2.529 50 0 DFAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cccn1C ZINC000091550473 282210321 /nfs/dbraw/zinc/21/03/21/282210321.db2.gz VUUPAEPRGDAQEO-OAHLLOKOSA-N 1 1 300.406 2.615 50 0 DFAAMO CCCc1onc(C)c1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000089960420 185271935 /nfs/dbraw/zinc/27/19/35/185271935.db2.gz VUBNCDQAUYMSJM-UHFFFAOYSA-N 1 1 316.405 2.871 50 0 DFAAMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 ZINC000090534045 185301483 /nfs/dbraw/zinc/30/14/83/185301483.db2.gz QCYWKOBFIDECJS-TZMCWYRMSA-N 1 1 324.432 2.889 50 0 DFAAMO C[N@H+]1CCC[C@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)C1 ZINC000090563066 185303886 /nfs/dbraw/zinc/30/38/86/185303886.db2.gz FULWOHICHVGIAN-CYBMUJFWSA-N 1 1 321.852 2.750 50 0 DFAAMO Fc1ccccc1OC1C[NH+]([C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000082109132 192358269 /nfs/dbraw/zinc/35/82/69/192358269.db2.gz SYIFJBXBRDGWQY-CQSZACIVSA-N 1 1 321.392 2.617 50 0 DFAAMO COC(=O)c1cc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)c[nH]1 ZINC000092788286 185341147 /nfs/dbraw/zinc/34/11/47/185341147.db2.gz QNXLSYXJWTZSNZ-ZDUSSCGKSA-N 1 1 319.430 2.946 50 0 DFAAMO COc1cccc(C2=CC[N@H+](CC(=O)N[C@H](C)C3CC3)CC2)c1 ZINC000095389978 185351133 /nfs/dbraw/zinc/35/11/33/185351133.db2.gz SFFGTDLSWJBXDU-CQSZACIVSA-N 1 1 314.429 2.699 50 0 DFAAMO COc1cccc(C2=CC[N@@H+](CC(=O)N[C@H](C)C3CC3)CC2)c1 ZINC000095389978 185351134 /nfs/dbraw/zinc/35/11/34/185351134.db2.gz SFFGTDLSWJBXDU-CQSZACIVSA-N 1 1 314.429 2.699 50 0 DFAAMO CN(Cc1ccc(Cl)nc1)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000095388997 185351348 /nfs/dbraw/zinc/35/13/48/185351348.db2.gz NSUDPFQSBLJDSB-CYBMUJFWSA-N 1 1 309.841 2.815 50 0 DFAAMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000095404820 185355499 /nfs/dbraw/zinc/35/54/99/185355499.db2.gz RHMCVHVUOZDOGI-DLBZAZTESA-N 1 1 315.417 2.980 50 0 DFAAMO O=C(NCc1ccco1)C1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095408570 185356749 /nfs/dbraw/zinc/35/67/49/185356749.db2.gz HDMKXYMKAKOOKQ-UHFFFAOYSA-N 1 1 319.792 2.861 50 0 DFAAMO C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)c1ccco1 ZINC000095420673 185360394 /nfs/dbraw/zinc/36/03/94/185360394.db2.gz VNGRNTNNWIGHAE-AWEZNQCLSA-N 1 1 324.384 2.966 50 0 DFAAMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)CCc1ccccn1 ZINC000095409701 185357105 /nfs/dbraw/zinc/35/71/05/185357105.db2.gz AMITWDCHUCWOPT-LBPRGKRZSA-N 1 1 318.808 2.632 50 0 DFAAMO C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCc1ccccn1 ZINC000095409701 185357106 /nfs/dbraw/zinc/35/71/06/185357106.db2.gz AMITWDCHUCWOPT-LBPRGKRZSA-N 1 1 318.808 2.632 50 0 DFAAMO CN(C)[C@H]1CCCC[N@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000082147793 192362315 /nfs/dbraw/zinc/36/23/15/192362315.db2.gz WZWDKJUJPCWSHZ-IBGZPJMESA-N 1 1 312.461 2.848 50 0 DFAAMO CN(C)[C@H]1CCCC[N@@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000082147793 192362317 /nfs/dbraw/zinc/36/23/17/192362317.db2.gz WZWDKJUJPCWSHZ-IBGZPJMESA-N 1 1 312.461 2.848 50 0 DFAAMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000095430320 185362747 /nfs/dbraw/zinc/36/27/47/185362747.db2.gz CSUGPWUXBQNSNC-VIFPVBQESA-N 1 1 317.216 2.699 50 0 DFAAMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000095430320 185362748 /nfs/dbraw/zinc/36/27/48/185362748.db2.gz CSUGPWUXBQNSNC-VIFPVBQESA-N 1 1 317.216 2.699 50 0 DFAAMO CN1CCN(C[C@@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)CC1 ZINC000095433966 185364008 /nfs/dbraw/zinc/36/40/08/185364008.db2.gz OGIZMDDIMBLSEN-AZUAARDMSA-N 1 1 313.489 2.921 50 0 DFAAMO Cc1ccoc1C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437782 185365582 /nfs/dbraw/zinc/36/55/82/185365582.db2.gz TYJWFEXBGSZCJO-UHFFFAOYSA-N 1 1 305.765 2.599 50 0 DFAAMO COc1ccc(CC[NH2+][C@@H](c2nccn2C)c2ccncc2)cc1 ZINC000095466810 185372208 /nfs/dbraw/zinc/37/22/08/185372208.db2.gz WGHHZPCAUWVKIJ-GOSISDBHSA-N 1 1 322.412 2.745 50 0 DFAAMO CCNC(=O)CC[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000097032964 185399713 /nfs/dbraw/zinc/39/97/13/185399713.db2.gz QDKVUETXCBJNLU-CQSZACIVSA-N 1 1 314.433 2.577 50 0 DFAAMO CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000097032964 185399714 /nfs/dbraw/zinc/39/97/14/185399714.db2.gz QDKVUETXCBJNLU-CQSZACIVSA-N 1 1 314.433 2.577 50 0 DFAAMO CCNC(=O)CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000097032964 185399715 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Cc1csc(-c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C)cc2)n1 ZINC000089708848 426303602 /nfs/dbraw/zinc/30/36/02/426303602.db2.gz MCPZGUULMSKKLN-CYBMUJFWSA-N 1 1 315.442 2.895 50 0 DFAAMO Cc1cn2nc(N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)sc2n1 ZINC000089702183 426304018 /nfs/dbraw/zinc/30/40/18/426304018.db2.gz FQMLNVSTJRJGKF-UONOGXRCSA-N 1 1 313.430 2.957 50 0 DFAAMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000089761707 426306736 /nfs/dbraw/zinc/30/67/36/426306736.db2.gz YTTCSLYZUBCUDZ-UHFFFAOYSA-N 1 1 323.412 2.648 50 0 DFAAMO O=C(CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1cccc(F)c1 ZINC000089775156 426307934 /nfs/dbraw/zinc/30/79/34/426307934.db2.gz LOPJHPSTWFTRLZ-CZUORRHYSA-N 1 1 306.381 2.655 50 0 DFAAMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000089894286 426316078 /nfs/dbraw/zinc/31/60/78/426316078.db2.gz IAQMOAQPFYHTKR-DZGCQCFKSA-N 1 1 322.453 2.545 50 0 DFAAMO C[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCSC1 ZINC000089936622 426319843 /nfs/dbraw/zinc/31/98/43/426319843.db2.gz ZBOKPJMUBAAHQS-LLVKDONJSA-N 1 1 321.414 2.620 50 0 DFAAMO C[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCSC1 ZINC000089936622 426319845 /nfs/dbraw/zinc/31/98/45/426319845.db2.gz ZBOKPJMUBAAHQS-LLVKDONJSA-N 1 1 321.414 2.620 50 0 DFAAMO COc1ccccc1-c1nc(CN2CC[N@@H+](C)C[C@@H]2C)cs1 ZINC000089939306 426320797 /nfs/dbraw/zinc/32/07/97/426320797.db2.gz PFRAULPCPCMIHQ-ZDUSSCGKSA-N 1 1 317.458 2.955 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)c1cc(Cl)ccc1Cl ZINC000089939197 426320860 /nfs/dbraw/zinc/32/08/60/426320860.db2.gz JVPCVSWQSZPWIR-YGRLFVJLSA-N 1 1 303.233 2.663 50 0 DFAAMO OCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000090740534 426330854 /nfs/dbraw/zinc/33/08/54/426330854.db2.gz TWCMWDBARFJWIY-UHFFFAOYSA-N 1 1 303.233 2.888 50 0 DFAAMO Cc1ccc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)nn1 ZINC000091650270 426343501 /nfs/dbraw/zinc/34/35/01/426343501.db2.gz YFTLSVBRHCBZMA-QZTJIDSGSA-N 1 1 308.429 2.886 50 0 DFAAMO Cc1ccc(CN(CCO)C(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000095356739 426366639 /nfs/dbraw/zinc/36/66/39/426366639.db2.gz ZUZAVEFGNBTCJH-SFHVURJKSA-N 1 1 318.461 2.580 50 0 DFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1ccc(F)c(F)c1)C2 ZINC000095357987 426366756 /nfs/dbraw/zinc/36/67/56/426366756.db2.gz OIUNQMCNEXGWSN-HUUCEWRRSA-N 1 1 322.399 2.840 50 0 DFAAMO CC(C)[C@H]1CN(C(=O)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000095347673 426366826 /nfs/dbraw/zinc/36/68/26/426366826.db2.gz CXFOHHXNTOKXHA-CQSZACIVSA-N 1 1 314.351 2.918 50 0 DFAAMO CC(C)[C@H]1CN(C(=O)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000095347673 426366829 /nfs/dbraw/zinc/36/68/29/426366829.db2.gz CXFOHHXNTOKXHA-CQSZACIVSA-N 1 1 314.351 2.918 50 0 DFAAMO O=C(C[N@H+]1CCC[C@H](c2ccccc2)C1)NCc1ccc(O)cc1 ZINC000095356425 426366962 /nfs/dbraw/zinc/36/69/62/426366962.db2.gz PSZWKJBEPJFMLV-SFHVURJKSA-N 1 1 324.424 2.888 50 0 DFAAMO CC[N@H+]1CCC[C@](C)(C(=O)NCCCc2nc(C)cs2)C1 ZINC000095386886 426370355 /nfs/dbraw/zinc/37/03/55/426370355.db2.gz CBAYCQHYFRSOHD-INIZCTEOSA-N 1 1 309.479 2.622 50 0 DFAAMO CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)N(C)C)C3)o1 ZINC000095382346 426370819 /nfs/dbraw/zinc/37/08/19/426370819.db2.gz JQERWMJUSJDNKV-HUUCEWRRSA-N 1 1 319.449 2.810 50 0 DFAAMO COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000095383993 426370862 /nfs/dbraw/zinc/37/08/62/426370862.db2.gz CPTJNRZNBZOOCB-SFHVURJKSA-N 1 1 318.461 2.844 50 0 DFAAMO Cc1nc(CCCNC(=O)CC[C@@H]2CCC[N@H+](C)C2)sc1C ZINC000095385004 426371109 /nfs/dbraw/zinc/37/11/09/426371109.db2.gz NNYMHSFHEQQTLR-HNNXBMFYSA-N 1 1 323.506 2.931 50 0 DFAAMO COCCn1ccnc1[C@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000095498672 426373691 /nfs/dbraw/zinc/37/36/91/426373691.db2.gz SBWAXWKAJPDGSA-HNNXBMFYSA-N 1 1 300.406 2.617 50 0 DFAAMO Cc1ccc(C(=O)N2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000095959648 426377016 /nfs/dbraw/zinc/37/70/16/426377016.db2.gz HZFNKPVSFSVDNN-UHFFFAOYSA-N 1 1 301.415 2.722 50 0 DFAAMO Cn1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)cn1 ZINC000095964448 426378019 /nfs/dbraw/zinc/37/80/19/426378019.db2.gz GXZHQSMLDQHQLS-KRWDZBQOSA-N 1 1 311.385 2.749 50 0 DFAAMO C(CN1CCOC2(CCCC2)C1)C[N@H+]1CCOC2(CCCC2)C1 ZINC000095970034 426379315 /nfs/dbraw/zinc/37/93/15/426379315.db2.gz AKRIXJYGYOJDCK-UHFFFAOYSA-N 1 1 322.493 2.667 50 0 DFAAMO O[C@H]1C[C@H](c2cc(F)ccc2F)[N@@H+](CCc2ccccn2)C1 ZINC000095973149 426379992 /nfs/dbraw/zinc/37/99/92/426379992.db2.gz UKNOXRPRCGBSPS-WMLDXEAASA-N 1 1 304.340 2.710 50 0 DFAAMO NC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095982243 426383036 /nfs/dbraw/zinc/38/30/36/426383036.db2.gz GSHJYUKCGQRALL-VIFPVBQESA-N 1 1 306.715 2.666 50 0 DFAAMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095982243 426383040 /nfs/dbraw/zinc/38/30/40/426383040.db2.gz GSHJYUKCGQRALL-VIFPVBQESA-N 1 1 306.715 2.666 50 0 DFAAMO COc1ccc(NC(C)=O)cc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000095986837 426383998 /nfs/dbraw/zinc/38/39/98/426383998.db2.gz XAUCXBSPQVIQRD-RISCZKNCSA-N 1 1 303.406 2.691 50 0 DFAAMO CCOC(=O)c1cnn([C@H]2CCC[N@@H+](Cc3ccsc3)C2)c1 ZINC000095999624 426386602 /nfs/dbraw/zinc/38/66/02/426386602.db2.gz WWNIHXKJLMJAOS-HNNXBMFYSA-N 1 1 319.430 2.958 50 0 DFAAMO COc1cc(Br)ccc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000096005932 426387149 /nfs/dbraw/zinc/38/71/49/426387149.db2.gz DKUQITCHBVTYEO-LLVKDONJSA-N 1 1 314.223 2.926 50 0 DFAAMO COCC[N@H+]1CC[C@H](Nc2ccc(Br)c(F)c2)C1 ZINC000096011613 426388540 /nfs/dbraw/zinc/38/85/40/426388540.db2.gz BAOHUOSNTLFMHJ-NSHDSACASA-N 1 1 317.202 2.721 50 0 DFAAMO O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000096404738 426414633 /nfs/dbraw/zinc/41/46/33/426414633.db2.gz AFFBCRQVVOJCRE-CVEARBPZSA-N 1 1 304.821 2.750 50 0 DFAAMO O=C1CCCN1[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000096410340 426416076 /nfs/dbraw/zinc/41/60/76/426416076.db2.gz ZEEWNHUBDPTJNM-OAHLLOKOSA-N 1 1 304.459 2.866 50 0 DFAAMO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)C(C1CC1)C1CC1 ZINC000096414842 426418218 /nfs/dbraw/zinc/41/82/18/426418218.db2.gz JWYNFNGROOUXSJ-UHFFFAOYSA-N 1 1 323.458 2.589 50 0 DFAAMO C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@H](c2ccco2)C1 ZINC000096441792 426425956 /nfs/dbraw/zinc/42/59/56/426425956.db2.gz ZANWWCLHPHNQFP-ZBFHGGJFSA-N 1 1 313.401 2.764 50 0 DFAAMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@H](c2ccco2)C1 ZINC000096441792 426425957 /nfs/dbraw/zinc/42/59/57/426425957.db2.gz ZANWWCLHPHNQFP-ZBFHGGJFSA-N 1 1 313.401 2.764 50 0 DFAAMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 ZINC000096482486 426433785 /nfs/dbraw/zinc/43/37/85/426433785.db2.gz NHUBFXAGAYRVAF-CYBMUJFWSA-N 1 1 323.412 2.633 50 0 DFAAMO CN(C)C(=O)N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000096489726 426436206 /nfs/dbraw/zinc/43/62/06/426436206.db2.gz UDBJPHDKEVDVRF-UHFFFAOYSA-N 1 1 324.428 2.548 50 0 DFAAMO COc1cccc2cc([C@H](C)[NH2+][C@@H](CO)c3cnn(C)c3)oc21 ZINC000097034808 426439866 /nfs/dbraw/zinc/43/98/66/426439866.db2.gz OHRUXYDBDISSBK-FZMZJTMJSA-N 1 1 315.373 2.559 50 0 DFAAMO CCc1nnc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)n1C ZINC000097081918 426445969 /nfs/dbraw/zinc/44/59/69/426445969.db2.gz ASYYSCRJQIGPSI-CYBMUJFWSA-N 1 1 324.432 2.722 50 0 DFAAMO Cc1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)o1 ZINC000097099041 426448502 /nfs/dbraw/zinc/44/85/02/426448502.db2.gz ZOFZIMDWOHLCQP-ZDUSSCGKSA-N 1 1 307.415 2.848 50 0 DFAAMO Cc1noc(-c2cccnc2NCCc2cn3c([nH+]2)CCCC3)n1 ZINC000097104442 426449899 /nfs/dbraw/zinc/44/98/99/426449899.db2.gz XUKFKAKRCRLABM-UHFFFAOYSA-N 1 1 324.388 2.627 50 0 DFAAMO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000097112745 426450788 /nfs/dbraw/zinc/45/07/88/426450788.db2.gz UJNQMTCFQVUDIK-HRCADAONSA-N 1 1 317.433 2.817 50 0 DFAAMO Cc1nc2cc(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)ccc2[nH]1 ZINC000097117061 426451838 /nfs/dbraw/zinc/45/18/38/426451838.db2.gz FCIIYTBAYRBVDI-GFCCVEGCSA-N 1 1 312.417 2.570 50 0 DFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000097376952 426465196 /nfs/dbraw/zinc/46/51/96/426465196.db2.gz GCPWZEYXIGXCKL-CQSZACIVSA-N 1 1 315.465 2.895 50 0 DFAAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000097376973 426465942 /nfs/dbraw/zinc/46/59/42/426465942.db2.gz YOSRBLFQESGTEF-HNNXBMFYSA-N 1 1 315.465 2.826 50 0 DFAAMO Cc1ccc([C@@H](C)CC[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)o1 ZINC000097495256 426467288 /nfs/dbraw/zinc/46/72/88/426467288.db2.gz UPLLWUHWRZWRCB-AWEZNQCLSA-N 1 1 315.417 2.868 50 0 DFAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]1CCO ZINC000097475647 426467909 /nfs/dbraw/zinc/46/79/09/426467909.db2.gz NZDRYWUVMDSTEV-MRXNPFEDSA-N 1 1 317.408 2.975 50 0 DFAAMO Cc1ccccc1-c1cccc(C[N@@H+]2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000097528021 426469073 /nfs/dbraw/zinc/46/90/73/426469073.db2.gz FJANKWGTXCMACC-PMACEKPBSA-N 1 1 310.441 2.769 50 0 DFAAMO Cc1ccccc1-c1cccc(C[N@H+]2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000097528021 426469075 /nfs/dbraw/zinc/46/90/75/426469075.db2.gz FJANKWGTXCMACC-PMACEKPBSA-N 1 1 310.441 2.769 50 0 DFAAMO Cc1cc(C)n(C2C[NH+](Cc3ccccc3Cn3cccn3)C2)n1 ZINC000097594969 426469983 /nfs/dbraw/zinc/46/99/83/426469983.db2.gz ACADVCSHRLALRW-UHFFFAOYSA-N 1 1 321.428 2.802 50 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/nfs/dbraw/zinc/34/09/57/182340957.db2.gz CEDRTIDANHDILI-QGZVFWFLSA-N 1 1 306.425 2.901 50 0 DFAAMO Cc1ncc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)n1C ZINC000022914189 182341185 /nfs/dbraw/zinc/34/11/85/182341185.db2.gz RLAIRVAIJBCDDW-KRWDZBQOSA-N 1 1 304.482 2.863 50 0 DFAAMO Cc1ncc(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)n1C ZINC000022914189 182341188 /nfs/dbraw/zinc/34/11/88/182341188.db2.gz RLAIRVAIJBCDDW-KRWDZBQOSA-N 1 1 304.482 2.863 50 0 DFAAMO C[N@@H+](C1CCOCC1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000022919511 182341256 /nfs/dbraw/zinc/34/12/56/182341256.db2.gz CEDRTIDANHDILI-KRWDZBQOSA-N 1 1 306.425 2.901 50 0 DFAAMO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000024179044 182376616 /nfs/dbraw/zinc/37/66/16/182376616.db2.gz JFOCTMILRVHBOV-UHFFFAOYSA-N 1 1 324.424 2.757 50 0 DFAAMO O=C(c1ccccc1)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000039978747 183026546 /nfs/dbraw/zinc/02/65/46/183026546.db2.gz FDQSFKIYLJKMKD-UHFFFAOYSA-N 1 1 324.424 2.914 50 0 DFAAMO Cc1cccc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)n1 ZINC000039380762 183017652 /nfs/dbraw/zinc/01/76/52/183017652.db2.gz PKFCSULHQNWULM-LJQANCHMSA-N 1 1 317.477 2.591 50 0 DFAAMO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000040466348 183072932 /nfs/dbraw/zinc/07/29/32/183072932.db2.gz KNXJXVXBNVVMSK-LBPRGKRZSA-N 1 1 311.410 2.875 50 0 DFAAMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(=O)n2ccccc2n1 ZINC000040466348 183072935 /nfs/dbraw/zinc/07/29/35/183072935.db2.gz KNXJXVXBNVVMSK-LBPRGKRZSA-N 1 1 311.410 2.875 50 0 DFAAMO CC(C)Oc1ccc(Br)cc1CNCC[NH+](C)C ZINC000040719656 183123661 /nfs/dbraw/zinc/12/36/61/183123661.db2.gz YAVYMQTVMVOFTI-UHFFFAOYSA-N 1 1 315.255 2.888 50 0 DFAAMO C[N@H+]1CCC[C@@](O)(CN(Cc2ccccc2)c2ccccn2)C1 ZINC000041124038 183169042 /nfs/dbraw/zinc/16/90/42/183169042.db2.gz JJHNIRJZTQDFPC-IBGZPJMESA-N 1 1 311.429 2.545 50 0 DFAAMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2F)on1 ZINC000042182695 183238813 /nfs/dbraw/zinc/23/88/13/183238813.db2.gz MSMDBBJJIPFOIH-UWVGGRQHSA-N 1 1 309.316 2.939 50 0 DFAAMO C[C@H](CNC(=O)Nc1nccs1)[N@@H+]1CCc2sccc2C1 ZINC000043160303 183341941 /nfs/dbraw/zinc/34/19/41/183341941.db2.gz BVNOJLUKVJHBMR-SNVBAGLBSA-N 1 1 322.459 2.773 50 0 DFAAMO C[C@H](CNC(=O)Nc1nccs1)[N@H+]1CCc2sccc2C1 ZINC000043160303 183341942 /nfs/dbraw/zinc/34/19/42/183341942.db2.gz BVNOJLUKVJHBMR-SNVBAGLBSA-N 1 1 322.459 2.773 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc3ccccc32)[C@H](C)CO1 ZINC000043754736 183385029 /nfs/dbraw/zinc/38/50/29/183385029.db2.gz MBDOAYALEWVNQN-INMHGKMJSA-N 1 1 315.413 2.689 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc3ccccc32)[C@H](C)CO1 ZINC000043754736 183385031 /nfs/dbraw/zinc/38/50/31/183385031.db2.gz MBDOAYALEWVNQN-INMHGKMJSA-N 1 1 315.413 2.689 50 0 DFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000046995069 183577305 /nfs/dbraw/zinc/57/73/05/183577305.db2.gz USMMKZMZFFRFAK-TZMCWYRMSA-N 1 1 301.415 2.653 50 0 DFAAMO Cn1cc[nH+]c1CC1CCN(c2cnc3ccccc3n2)CC1 ZINC000105793635 194129366 /nfs/dbraw/zinc/12/93/66/194129366.db2.gz MDCCFDLPFFVCFW-UHFFFAOYSA-N 1 1 307.401 2.822 50 0 DFAAMO COCc1cccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000106078744 194183716 /nfs/dbraw/zinc/18/37/16/194183716.db2.gz HBXKFYGLEZVHBB-LSDHHAIUSA-N 1 1 304.434 2.683 50 0 DFAAMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(F)cc1 ZINC000106138000 194186831 /nfs/dbraw/zinc/18/68/31/194186831.db2.gz WOSVKUNZKZQSML-KGLIPLIRSA-N 1 1 307.413 2.745 50 0 DFAAMO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000106553492 194230035 /nfs/dbraw/zinc/23/00/35/194230035.db2.gz HKBVRBYDRHXACV-RBSFLKMASA-N 1 1 321.465 2.655 50 0 DFAAMO CC(C)[C@@H](C)NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056762727 184018706 /nfs/dbraw/zinc/01/87/06/184018706.db2.gz PLFKVKSDJXBJMK-OAHLLOKOSA-N 1 1 319.449 2.727 50 0 DFAAMO C[NH+](C)[C@H](C(=O)N1CCC(n2cccc2)CC1)c1ccccc1 ZINC000057559687 184041767 /nfs/dbraw/zinc/04/17/67/184041767.db2.gz BPRGZVQBTGXBGL-SFHVURJKSA-N 1 1 311.429 2.955 50 0 DFAAMO CCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C(C)C)cc2)C1 ZINC000057865867 184058360 /nfs/dbraw/zinc/05/83/60/184058360.db2.gz NRSDSZJGPDOWPE-ROUUACIJSA-N 1 1 318.461 2.692 50 0 DFAAMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccn(C)n2)cc1)C(C)C ZINC000058380721 184110717 /nfs/dbraw/zinc/11/07/17/184110717.db2.gz LXAXIZZBGYPTDU-UHFFFAOYSA-N 1 1 300.406 2.903 50 0 DFAAMO CCn1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000058391549 184111456 /nfs/dbraw/zinc/11/14/56/184111456.db2.gz ULGRJJDMKAKGEF-MRXNPFEDSA-N 1 1 312.417 2.754 50 0 DFAAMO CC[N@@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000058268067 184097977 /nfs/dbraw/zinc/09/79/77/184097977.db2.gz ILROQYXXKXPQTM-ZDUSSCGKSA-N 1 1 308.422 2.611 50 0 DFAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000058269232 184098260 /nfs/dbraw/zinc/09/82/60/184098260.db2.gz ZGGLNMUQCOPILG-CQSZACIVSA-N 1 1 304.438 2.977 50 0 DFAAMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C3CCCC3)c2)CCO1 ZINC000058282457 184099961 /nfs/dbraw/zinc/09/99/61/184099961.db2.gz ZEVDDCWXKKZHLJ-HNNXBMFYSA-N 1 1 316.445 2.714 50 0 DFAAMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C3CCCC3)c2)CCO1 ZINC000058282457 184099963 /nfs/dbraw/zinc/09/99/63/184099963.db2.gz ZEVDDCWXKKZHLJ-HNNXBMFYSA-N 1 1 316.445 2.714 50 0 DFAAMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cc2noc3ccccc23)C1 ZINC000058393874 184112540 /nfs/dbraw/zinc/11/25/40/184112540.db2.gz YGSULESUONTYTJ-CQSZACIVSA-N 1 1 315.417 2.607 50 0 DFAAMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000058452503 184119689 /nfs/dbraw/zinc/11/96/89/184119689.db2.gz OEFHEMWKDCXNMI-ZDUSSCGKSA-N 1 1 300.324 2.758 50 0 DFAAMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000058452503 184119692 /nfs/dbraw/zinc/11/96/92/184119692.db2.gz OEFHEMWKDCXNMI-ZDUSSCGKSA-N 1 1 300.324 2.758 50 0 DFAAMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000060296401 184145884 /nfs/dbraw/zinc/14/58/84/184145884.db2.gz GVSQMMXXGSRBLL-CYBMUJFWSA-N 1 1 300.324 2.935 50 0 DFAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccccc1)OCCO3 ZINC000064794976 184303295 /nfs/dbraw/zinc/30/32/95/184303295.db2.gz KPAIZQBDWPWISI-UHFFFAOYSA-N 1 1 323.352 2.755 50 0 DFAAMO Cc1cc(C)c(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)c(-n2cccn2)c1 ZINC000065386303 184333358 /nfs/dbraw/zinc/33/33/58/184333358.db2.gz ZLWVAAIHKCTSNU-SJORKVTESA-N 1 1 310.445 2.815 50 0 DFAAMO CNc1cc[nH+]c(N2CC[C@@H](c3cc(OC)ccc3OC)C2)n1 ZINC000065395222 184334978 /nfs/dbraw/zinc/33/49/78/184334978.db2.gz WSIUKDHNKVUNDX-GFCCVEGCSA-N 1 1 314.389 2.529 50 0 DFAAMO Cc1ccccc1OC[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000065423057 184342318 /nfs/dbraw/zinc/34/23/18/184342318.db2.gz BTRUGRTWZBKQQI-OAHLLOKOSA-N 1 1 312.417 2.658 50 0 DFAAMO Cc1ccc(F)c(NC(=O)C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000065395429 184335300 /nfs/dbraw/zinc/33/53/00/184335300.db2.gz VTTZOFHWXFUXRV-MRXNPFEDSA-N 1 1 316.380 2.547 50 0 DFAAMO c1ncn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)n1 ZINC000065532064 184361699 /nfs/dbraw/zinc/36/16/99/184361699.db2.gz ATMMTNRQRQKXNZ-GOSISDBHSA-N 1 1 305.385 2.999 50 0 DFAAMO Cn1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1=O ZINC000052276003 425883971 /nfs/dbraw/zinc/88/39/71/425883971.db2.gz LVKOBPPZTXXEKI-INIZCTEOSA-N 1 1 318.804 2.612 50 0 DFAAMO Cn1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1=O ZINC000052276003 425883972 /nfs/dbraw/zinc/88/39/72/425883972.db2.gz LVKOBPPZTXXEKI-INIZCTEOSA-N 1 1 318.804 2.612 50 0 DFAAMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccc(F)cc1F ZINC000065563004 184365841 /nfs/dbraw/zinc/36/58/41/184365841.db2.gz CJAQXMKAWGOZNJ-UHFFFAOYSA-N 1 1 300.268 2.798 50 0 DFAAMO Cc1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)on1 ZINC000065554756 184366158 /nfs/dbraw/zinc/36/61/58/184366158.db2.gz JRFOJEKAEWAYIK-ZDUSSCGKSA-N 1 1 315.373 2.629 50 0 DFAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CC2=CCCOC2)c(C)c1 ZINC000158450097 197272968 /nfs/dbraw/zinc/27/29/68/197272968.db2.gz WLNVCYDJRVNCAE-UHFFFAOYSA-N 1 1 302.418 2.829 50 0 DFAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CC2=CCCOC2)c(C)c1 ZINC000158450097 197272970 /nfs/dbraw/zinc/27/29/70/197272970.db2.gz WLNVCYDJRVNCAE-UHFFFAOYSA-N 1 1 302.418 2.829 50 0 DFAAMO CCN1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000037976779 542433377 /nfs/dbraw/zinc/43/33/77/542433377.db2.gz RCLCHINMVSJVMZ-UHFFFAOYSA-N 1 1 310.825 2.685 50 0 DFAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(OC)nc1 ZINC000055053535 542453331 /nfs/dbraw/zinc/45/33/31/542453331.db2.gz UERZASFFCWUDPK-HNNXBMFYSA-N 1 1 306.431 2.925 50 0 DFAAMO CC[N@H+](Cc1ccccc1F)Cc1c(O)c(C)ncc1CO ZINC000067742681 542460772 /nfs/dbraw/zinc/46/07/72/542460772.db2.gz CHXYWZDPBPIQMB-UHFFFAOYSA-N 1 1 304.365 2.749 50 0 DFAAMO CC[N@@H+](Cc1ccccc1F)Cc1c(O)c(C)ncc1CO ZINC000067742681 542460777 /nfs/dbraw/zinc/46/07/77/542460777.db2.gz CHXYWZDPBPIQMB-UHFFFAOYSA-N 1 1 304.365 2.749 50 0 DFAAMO Cc1c[nH+]c(N)nc1N1CCC(c2nc3ccccc3n2C)CC1 ZINC000092028748 256548979 /nfs/dbraw/zinc/54/89/79/256548979.db2.gz XQTZTEMILIJGFP-UHFFFAOYSA-N 1 1 322.416 2.638 50 0 DFAAMO O=C(/C=C/c1cccc2cccnc12)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229868246 256598704 /nfs/dbraw/zinc/59/87/04/256598704.db2.gz NJCHASFWKXDGDF-UIVAWZFMSA-N 1 1 321.424 2.991 50 0 DFAAMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000514288721 257216607 /nfs/dbraw/zinc/21/66/07/257216607.db2.gz XVTGUCXLWGGPNA-ZBFHGGJFSA-N 1 1 320.408 2.779 50 0 biogenic,in-vitro DFAAMO Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730942 257214183 /nfs/dbraw/zinc/21/41/83/257214183.db2.gz DAGSYWQWSJXATF-LSDHHAIUSA-N 1 1 305.422 2.628 50 0 DFAAMO CCn1cc(CC[NH2+]C2(c3noc(C)n3)CCCCCC2)cn1 ZINC000348352849 257236445 /nfs/dbraw/zinc/23/64/45/257236445.db2.gz MNKNTUWRZZLAOI-UHFFFAOYSA-N 1 1 317.437 2.976 50 0 DFAAMO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCOc3ccccc32)CC[N@H+]1C ZINC000521396384 257240262 /nfs/dbraw/zinc/24/02/62/257240262.db2.gz SUEPTKOBVXWPSJ-ARFHVFGLSA-N 1 1 302.418 2.747 50 0 DFAAMO Cc1ccccc1CNC(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000426712565 257243492 /nfs/dbraw/zinc/24/34/92/257243492.db2.gz DJAWZFHBCOIMRU-HNNXBMFYSA-N 1 1 301.434 2.763 50 0 DFAAMO Cc1ccccc1CNC(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000426712566 257243498 /nfs/dbraw/zinc/24/34/98/257243498.db2.gz DJAWZFHBCOIMRU-OAHLLOKOSA-N 1 1 301.434 2.763 50 0 DFAAMO Cc1ccc(C)c(CNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000426641500 257245240 /nfs/dbraw/zinc/24/52/40/257245240.db2.gz XMJZMLKQOBENQA-KRWDZBQOSA-N 1 1 301.434 2.683 50 0 DFAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3cccc4cc[nH]c43)C2)n1 ZINC000426641376 257245242 /nfs/dbraw/zinc/24/52/42/257245242.db2.gz MNXUZDHGTIXPCT-MRXNPFEDSA-N 1 1 324.428 2.736 50 0 DFAAMO CCN(CCNC(=O)C[C@H]1CCCC[N@H+]1C)c1cccc(C)c1 ZINC000426533943 257248044 /nfs/dbraw/zinc/24/80/44/257248044.db2.gz YHWJCRVSCZYXCV-QGZVFWFLSA-N 1 1 317.477 2.812 50 0 DFAAMO CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2nc3ccccc3o2)C1 ZINC000426410711 257251292 /nfs/dbraw/zinc/25/12/92/257251292.db2.gz NWPJPIDXAMGQQW-AWEZNQCLSA-N 1 1 315.417 2.607 50 0 DFAAMO OCCn1ccc([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)n1 ZINC000426383336 257252350 /nfs/dbraw/zinc/25/23/50/257252350.db2.gz RFSIFIAJYGTLRC-PYJQOMOHSA-N 1 1 311.429 2.768 50 0 DFAAMO CCOCC[N@@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000408524833 257254649 /nfs/dbraw/zinc/25/46/49/257254649.db2.gz ZTPRAIQBZHZISR-KGLIPLIRSA-N 1 1 300.443 2.648 50 0 DFAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCC(=O)[O-] ZINC000408513104 257256393 /nfs/dbraw/zinc/25/63/93/257256393.db2.gz SIGGKSFLJSCKJF-WBVHZDCISA-N 1 1 304.434 2.694 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCC(=O)[O-] ZINC000408513104 257256395 /nfs/dbraw/zinc/25/63/95/257256395.db2.gz SIGGKSFLJSCKJF-WBVHZDCISA-N 1 1 304.434 2.694 50 0 DFAAMO C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCCC(=O)[O-] ZINC000408513104 257256396 /nfs/dbraw/zinc/25/63/96/257256396.db2.gz SIGGKSFLJSCKJF-WBVHZDCISA-N 1 1 304.434 2.694 50 0 DFAAMO C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCC(=O)[O-] ZINC000408513104 257256398 /nfs/dbraw/zinc/25/63/98/257256398.db2.gz SIGGKSFLJSCKJF-WBVHZDCISA-N 1 1 304.434 2.694 50 0 DFAAMO Cc1nc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cs1 ZINC000252467442 257258873 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COc1cccc(C=O)c1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016488407 425786077 /nfs/dbraw/zinc/78/60/77/425786077.db2.gz DBSGTOAWDDXOKI-GASCZTMLSA-N 1 1 321.417 2.776 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2cccc3ccccc32)C[C@@H](C)O1 ZINC000017246985 425788237 /nfs/dbraw/zinc/78/82/37/425788237.db2.gz FUDPJBJZLBBXRV-BFYDXBDKSA-N 1 1 315.413 2.689 50 0 DFAAMO O[C@@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000020218751 425791637 /nfs/dbraw/zinc/79/16/37/425791637.db2.gz XRSLWYZHBTZEPV-SFHVURJKSA-N 1 1 300.377 2.681 50 0 DFAAMO O[C@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000020218780 425792165 /nfs/dbraw/zinc/79/21/65/425792165.db2.gz KCXDZWBLLFAVEN-GOSISDBHSA-N 1 1 318.367 2.820 50 0 DFAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000020271755 425793179 /nfs/dbraw/zinc/79/31/79/425793179.db2.gz QYHUMOQVSALKMY-QGZVFWFLSA-N 1 1 317.452 2.965 50 0 DFAAMO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCc2ccccc2C1 ZINC000025408454 425803932 /nfs/dbraw/zinc/80/39/32/425803932.db2.gz 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425858191 /nfs/dbraw/zinc/85/81/91/425858191.db2.gz OLJUCDHVCNBYBD-CYBMUJFWSA-N 1 1 317.389 2.889 50 0 DFAAMO COc1ccc(OCc2noc(C[N@H+]3CCC[C@@H](C)C3)n2)cc1 ZINC000044893132 425858192 /nfs/dbraw/zinc/85/81/92/425858192.db2.gz OLJUCDHVCNBYBD-CYBMUJFWSA-N 1 1 317.389 2.889 50 0 DFAAMO CC(C)c1nc(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cs1 ZINC000046746982 425866195 /nfs/dbraw/zinc/86/61/95/425866195.db2.gz HOIYERACPZKFLX-ZDUSSCGKSA-N 1 1 321.446 2.821 50 0 DFAAMO Cc1ccc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000045744815 425862168 /nfs/dbraw/zinc/86/21/68/425862168.db2.gz FMVDMLWWVCBHEU-HNNXBMFYSA-N 1 1 324.490 2.704 50 0 DFAAMO OCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000046090736 425864276 /nfs/dbraw/zinc/86/42/76/425864276.db2.gz OGWWHJDSHNYEIK-UHFFFAOYSA-N 1 1 307.781 2.594 50 0 DFAAMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000027140150 425814917 /nfs/dbraw/zinc/81/49/17/425814917.db2.gz ROXAZSNGVJCVQD-NSHDSACASA-N 1 1 312.435 2.840 50 0 DFAAMO COc1ccccc1/C=C1/SC(=O)N(C[NH+]2CCCC2)C1=O ZINC000027472775 425817158 /nfs/dbraw/zinc/81/71/58/425817158.db2.gz SUXYCRDBGKHDCP-GXDHUFHOSA-N 1 1 318.398 2.785 50 0 DFAAMO Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000028036891 425818928 /nfs/dbraw/zinc/81/89/28/425818928.db2.gz OZIFPRNBYARPJM-UHFFFAOYSA-N 1 1 315.442 2.800 50 0 DFAAMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC2(CC1)OCCO2 ZINC000028078241 425819530 /nfs/dbraw/zinc/81/95/30/425819530.db2.gz JTPWACOSVIXDEA-LLVKDONJSA-N 1 1 321.402 2.698 50 0 DFAAMO CCC(CC)C(=O)NCC1(N2CC[NH+](CC)CC2)CCCCC1 ZINC000028403205 425821157 /nfs/dbraw/zinc/82/11/57/425821157.db2.gz PSGXFESQTRPROA-UHFFFAOYSA-N 1 1 323.525 2.879 50 0 DFAAMO O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)NC(C1CC1)C1CC1 ZINC000028278923 425821262 /nfs/dbraw/zinc/82/12/62/425821262.db2.gz BNVGZAVTFDCRQC-SFHVURJKSA-N 1 1 312.457 2.998 50 0 DFAAMO CC(C)[C@H](CNC(=O)C1CCC1)[N@H+]1CCc2ccccc2C1 ZINC000029173923 425824742 /nfs/dbraw/zinc/82/47/42/425824742.db2.gz GQNRSJCSYOLDEL-SFHVURJKSA-N 1 1 300.446 2.986 50 0 DFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000030318956 425831059 /nfs/dbraw/zinc/83/10/59/425831059.db2.gz FTPLBPXJRUZPIF-UHFFFAOYSA-N 1 1 316.351 2.753 50 0 DFAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N[C@H]1CCOc2ccccc21 ZINC000033968375 425842519 /nfs/dbraw/zinc/84/25/19/425842519.db2.gz QZISXPINLXZEMR-SFHVURJKSA-N 1 1 322.408 2.685 50 0 DFAAMO O=C(C[N@H+]1CCc2ccccc2C1)N[C@H]1CCOc2ccccc21 ZINC000033968375 425842520 /nfs/dbraw/zinc/84/25/20/425842520.db2.gz QZISXPINLXZEMR-SFHVURJKSA-N 1 1 322.408 2.685 50 0 DFAAMO COCC[N@H+](Cc1cccs1)C[C@@H](O)Cc1ccccc1 ZINC000036096542 425844786 /nfs/dbraw/zinc/84/47/86/425844786.db2.gz RCHSACNNYUFNFP-INIZCTEOSA-N 1 1 305.443 2.800 50 0 DFAAMO CC[N@@H+](C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)CC(C)(C)O ZINC000036146304 425845028 /nfs/dbraw/zinc/84/50/28/425845028.db2.gz ISAGALGFVLPGDN-AWEZNQCLSA-N 1 1 310.825 2.926 50 0 DFAAMO COc1ccc(C[N@@H+](C[C@H](O)COC(C)C)CC2CC2)cc1 ZINC000036102402 425845107 /nfs/dbraw/zinc/84/51/07/425845107.db2.gz UMVQZTNVVCUJCL-KRWDZBQOSA-N 1 1 307.434 2.693 50 0 DFAAMO CCc1noc([C@@H](C)N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000044335233 425855969 /nfs/dbraw/zinc/85/59/69/425855969.db2.gz RSHVWOZKHKIAFX-OAHLLOKOSA-N 1 1 314.433 2.819 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2[nH]nc3ccccc32)C1 ZINC000046991806 425867468 /nfs/dbraw/zinc/86/74/68/425867468.db2.gz LHAIKWMQKZCRJE-AWEZNQCLSA-N 1 1 314.433 2.805 50 0 DFAAMO C[C@H]1CCC[N@H+](CCCCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000046991806 425867469 /nfs/dbraw/zinc/86/74/69/425867469.db2.gz LHAIKWMQKZCRJE-AWEZNQCLSA-N 1 1 314.433 2.805 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2n[nH]c3ccccc32)C1 ZINC000046991806 425867470 /nfs/dbraw/zinc/86/74/70/425867470.db2.gz LHAIKWMQKZCRJE-AWEZNQCLSA-N 1 1 314.433 2.805 50 0 DFAAMO COc1ccc(CC(=O)Nc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000047174342 425868571 /nfs/dbraw/zinc/86/85/71/425868571.db2.gz AERGCUXMQBFMRQ-UHFFFAOYSA-N 1 1 322.368 2.766 50 0 DFAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccnn1C(C)C ZINC000048261296 425873831 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c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2cn3ccsc3n2)c1 ZINC000069923487 425962651 /nfs/dbraw/zinc/96/26/51/425962651.db2.gz DHFVABGIJQNRBN-AWEZNQCLSA-N 1 1 301.419 2.647 50 0 DFAAMO c1cnn(C[C@@H]2CCCC[N@H+]2Cc2cn3ccsc3n2)c1 ZINC000069923487 425962653 /nfs/dbraw/zinc/96/26/53/425962653.db2.gz DHFVABGIJQNRBN-AWEZNQCLSA-N 1 1 301.419 2.647 50 0 DFAAMO Cc1[nH+]ccn1-c1ccc(F)cc1CNC(=O)CCOC(C)C ZINC000069898764 425962761 /nfs/dbraw/zinc/96/27/61/425962761.db2.gz KXDCFNOVICDKAH-UHFFFAOYSA-N 1 1 319.380 2.751 50 0 DFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cscn1 ZINC000069918961 425962837 /nfs/dbraw/zinc/96/28/37/425962837.db2.gz FYKNWOVWCMPOIU-GJZGRUSLSA-N 1 1 307.463 2.551 50 0 DFAAMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000069951703 425963796 /nfs/dbraw/zinc/96/37/96/425963796.db2.gz USDZCEVANCWRAK-LSDHHAIUSA-N 1 1 305.422 2.739 50 0 DFAAMO CCOCC[N@H+]1CCN(CCCOc2ccc(F)cc2)C[C@@H]1C ZINC000070018424 425966565 /nfs/dbraw/zinc/96/65/65/425966565.db2.gz WFOAPRBHBILCGK-INIZCTEOSA-N 1 1 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COc1ccc(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000022027986 182304199 /nfs/dbraw/zinc/30/41/99/182304199.db2.gz SPYHDZVXFDWARS-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO COc1ccccc1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000022027871 182304301 /nfs/dbraw/zinc/30/43/01/182304301.db2.gz ISPNFOSCZQTNRN-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO CN1CC[NH+](C[C@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000022041000 182305708 /nfs/dbraw/zinc/30/57/08/182305708.db2.gz HACBNWCURIYQSS-IBGZPJMESA-N 1 1 308.425 2.901 50 0 DFAAMO CC(C)c1ccc(NC(=O)CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000022752703 182332408 /nfs/dbraw/zinc/33/24/08/182332408.db2.gz HUGQBEQAOZKQNF-QGZVFWFLSA-N 1 1 301.434 2.529 50 0 DFAAMO C[N@H+]1CCN(Cc2ccccc2OC2CCCC2)C[C@@H]1CCO ZINC000022851949 182337584 /nfs/dbraw/zinc/33/75/84/182337584.db2.gz SWGNNMKKODRWQJ-KRWDZBQOSA-N 1 1 318.461 2.506 50 0 DFAAMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NCc1ccco1 ZINC000024250260 182378202 /nfs/dbraw/zinc/37/82/02/182378202.db2.gz QDCSDLUSWDUJGK-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/01/89/49/183018949.db2.gz YMIPVTQINCVMGC-GOSISDBHSA-N 1 1 314.429 2.657 50 0 DFAAMO O[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040459041 183069734 /nfs/dbraw/zinc/06/97/34/183069734.db2.gz LYHWADLVONSVFH-LSDHHAIUSA-N 1 1 317.351 2.838 50 0 DFAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H](C)SC)cc2)CC1 ZINC000040540969 183098065 /nfs/dbraw/zinc/09/80/65/183098065.db2.gz OHSQHYKYUPDHEF-AWEZNQCLSA-N 1 1 321.490 2.514 50 0 DFAAMO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)on1 ZINC000042182697 183239034 /nfs/dbraw/zinc/23/90/34/183239034.db2.gz MSMDBBJJIPFOIH-ZJUUUORDSA-N 1 1 309.316 2.939 50 0 DFAAMO COc1ccc(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)cn1 ZINC000042202887 183241768 /nfs/dbraw/zinc/24/17/68/183241768.db2.gz XQIUCPHLTOQKKJ-LBPRGKRZSA-N 1 1 314.385 2.712 50 0 DFAAMO Fc1ccc(-c2n[nH]cc2CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000042229198 183245039 /nfs/dbraw/zinc/24/50/39/183245039.db2.gz BONKLBYUGNBZOC-ZDUSSCGKSA-N 1 1 314.408 2.790 50 0 DFAAMO Fc1ccc(-c2n[nH]cc2CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000042229198 183245040 /nfs/dbraw/zinc/24/50/40/183245040.db2.gz BONKLBYUGNBZOC-ZDUSSCGKSA-N 1 1 314.408 2.790 50 0 DFAAMO Cc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](O)C3)n2)cc1F ZINC000042286691 183249690 /nfs/dbraw/zinc/24/96/90/183249690.db2.gz MWVUPNLGYHWFGI-YPMHNXCESA-N 1 1 305.353 2.702 50 0 DFAAMO Cc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](O)C3)n2)cc1F ZINC000042286691 183249692 /nfs/dbraw/zinc/24/96/92/183249692.db2.gz MWVUPNLGYHWFGI-YPMHNXCESA-N 1 1 305.353 2.702 50 0 DFAAMO CCc1noc([C@H](C)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000042651711 183294103 /nfs/dbraw/zinc/29/41/03/183294103.db2.gz DCOCRZDNRWMTCD-AWEZNQCLSA-N 1 1 300.406 2.511 50 0 DFAAMO Cc1ccn2cc(Cn3cnc4cccc(F)c4c3=O)[nH+]c2c1 ZINC000043082558 183334985 /nfs/dbraw/zinc/33/49/85/183334985.db2.gz VLDAUPHIFPJFST-UHFFFAOYSA-N 1 1 308.316 2.540 50 0 DFAAMO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)no1 ZINC000044591155 183424477 /nfs/dbraw/zinc/42/44/77/183424477.db2.gz 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Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000058405319 184113832 /nfs/dbraw/zinc/11/38/32/184113832.db2.gz WVKFLIZZYBWUEQ-RISCZKNCSA-N 1 1 302.422 2.801 50 0 DFAAMO COc1c(C[NH2+]Cc2cccc3c2OCO3)c(C(C)C)nn1C ZINC000058421758 184116646 /nfs/dbraw/zinc/11/66/46/184116646.db2.gz VPDXITKALQYWIZ-UHFFFAOYSA-N 1 1 317.389 2.571 50 0 DFAAMO COc1c(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(C)nn1C ZINC000058426864 184117021 /nfs/dbraw/zinc/11/70/21/184117021.db2.gz IPHCQLXUIBEDHK-HNNXBMFYSA-N 1 1 319.380 2.880 50 0 DFAAMO CCN1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000064166521 184292833 /nfs/dbraw/zinc/29/28/33/184292833.db2.gz ANGGMFVRAWVHIX-UHFFFAOYSA-N 1 1 316.323 2.639 50 0 DFAAMO CCN1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCC1=O ZINC000064166521 184292835 /nfs/dbraw/zinc/29/28/35/184292835.db2.gz ANGGMFVRAWVHIX-UHFFFAOYSA-N 1 1 316.323 2.639 50 0 DFAAMO CN(C)[C@@H]1C[C@@H](CO)[N@H+](C/C=C/C=C/c2ccc(Cl)cc2)C1 ZINC000065508541 184356523 /nfs/dbraw/zinc/35/65/23/184356523.db2.gz 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ZINC000067742169 542460711 /nfs/dbraw/zinc/46/07/11/542460711.db2.gz ZFSKGIOKDHUYOA-UHFFFAOYSA-N 1 1 313.445 2.589 50 0 DFAAMO O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)NCC1CCCCC1 ZINC000076756342 542476979 /nfs/dbraw/zinc/47/69/79/542476979.db2.gz WRSNXCCQRJBRNR-SFHVURJKSA-N 1 1 315.461 2.869 50 0 DFAAMO O=C(C[N@H+]1CC[C@H](Nc2ccccc2)C1)NCC1CCCCC1 ZINC000076756342 542476980 /nfs/dbraw/zinc/47/69/80/542476980.db2.gz WRSNXCCQRJBRNR-SFHVURJKSA-N 1 1 315.461 2.869 50 0 DFAAMO O=C(N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)C1(c2ccccc2)CC1 ZINC000078203474 542479155 /nfs/dbraw/zinc/47/91/55/542479155.db2.gz HWSBJUWEDHIAJQ-CGTJXYLNSA-N 1 1 310.441 2.661 50 0 DFAAMO CCOc1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)ccc1OC ZINC000244811503 256605871 /nfs/dbraw/zinc/60/58/71/256605871.db2.gz SEAXPLMJQOALBN-ZBFHGGJFSA-N 1 1 304.434 2.762 50 0 DFAAMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000514288681 257216152 /nfs/dbraw/zinc/21/61/52/257216152.db2.gz RKJVNOFIIFYXLF-WBVHZDCISA-N 1 1 318.392 2.533 50 0 biogenic,in-vitro DFAAMO Cc1nc(C)c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000263584754 257213320 /nfs/dbraw/zinc/21/33/20/257213320.db2.gz AFDYTUHNTUNAHE-UONOGXRCSA-N 1 1 307.463 2.754 50 0 DFAAMO Cc1ccc2nc(CCNc3cc(C4CC([NH3+])C4)ncn3)[nH]c2c1 ZINC000219896327 257274212 /nfs/dbraw/zinc/27/42/12/257274212.db2.gz OEKCATQGBHIDPO-UHFFFAOYSA-N 1 1 322.416 2.521 50 0 DFAAMO CCc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)nc1 ZINC000338983368 257237208 /nfs/dbraw/zinc/23/72/08/257237208.db2.gz YGJVDCVVJOBEFZ-HNNXBMFYSA-N 1 1 311.433 2.561 50 0 DFAAMO C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000408524238 257254902 /nfs/dbraw/zinc/25/49/02/257254902.db2.gz YXWKNSVVISTGAS-LBPRGKRZSA-N 1 1 314.389 2.943 50 0 DFAAMO CN1CC[N@@H+](Cc2cccc3nonc32)C[C@H]1c1ccccc1 ZINC000243901533 257259545 /nfs/dbraw/zinc/25/95/45/257259545.db2.gz BCGDDNSXEFCWTN-KRWDZBQOSA-N 1 1 308.385 2.712 50 0 DFAAMO C[N@@H+]1CCN(Cc2cccc3nonc32)C[C@H]1c1ccccc1 ZINC000243901533 257259547 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STJYUDXIDUXZKM-UHFFFAOYSA-N 1 1 311.381 2.972 50 0 DFAAMO Cc1noc([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C)c(C)c3)C2)n1 ZINC000071828187 425993133 /nfs/dbraw/zinc/99/31/33/425993133.db2.gz BFMZSXUYBOYLNE-DLBZAZTESA-N 1 1 315.417 2.908 50 0 DFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1C[C@H]1c1ccco1 ZINC000107494209 425993856 /nfs/dbraw/zinc/99/38/56/425993856.db2.gz SVLRHUKKPXQCIH-MSOLQXFVSA-N 1 1 324.424 2.948 50 0 DFAAMO Cc1nc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)nc2ccccc12 ZINC000071875631 425997712 /nfs/dbraw/zinc/99/77/12/425997712.db2.gz GECMHNDOVZMRMO-OAHLLOKOSA-N 1 1 307.401 2.799 50 0 DFAAMO Cc1nc(C[N@H+]2CCC[C@@H]2Cn2cccn2)nc2ccccc12 ZINC000071875631 425997714 /nfs/dbraw/zinc/99/77/14/425997714.db2.gz GECMHNDOVZMRMO-OAHLLOKOSA-N 1 1 307.401 2.799 50 0 DFAAMO Cc1nc(CN2CCC[N@@H+](C/C=C/c3ccccc3)CC2)no1 ZINC000071877593 425998181 /nfs/dbraw/zinc/99/81/81/425998181.db2.gz PXOLQTVCLXZHQE-WEVVVXLNSA-N 1 1 312.417 2.599 50 0 DFAAMO CC[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccc(S(N)(=O)=O)c1 ZINC000125964665 425998944 /nfs/dbraw/zinc/99/89/44/425998944.db2.gz XSJWYIZAJTUWGP-WFASDCNBSA-N 1 1 319.430 2.531 50 0 DFAAMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)cc1 ZINC000071904662 426002346 /nfs/dbraw/zinc/00/23/46/426002346.db2.gz WXNGZFWINDAXHT-IBGZPJMESA-N 1 1 323.440 2.713 50 0 DFAAMO Cn1nccc1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000069441223 425939898 /nfs/dbraw/zinc/93/98/98/425939898.db2.gz PKIGQZDWMQNWLH-HNNXBMFYSA-N 1 1 312.417 2.628 50 0 DFAAMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000069455386 425940450 /nfs/dbraw/zinc/94/04/50/425940450.db2.gz KLHZEEXWKMDQLO-INIZCTEOSA-N 1 1 319.408 2.992 50 0 DFAAMO CSc1ccc(C)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000069452026 425941076 /nfs/dbraw/zinc/94/10/76/425941076.db2.gz XNPGUGOOEGSJSR-ZDUSSCGKSA-N 1 1 304.459 2.931 50 0 DFAAMO COc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1C ZINC000069491544 425942732 /nfs/dbraw/zinc/94/27/32/425942732.db2.gz VCTGZYVDBDUXDY-HZPDHXFCSA-N 1 1 302.418 2.702 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(OC)cc1 ZINC000069491712 425942917 /nfs/dbraw/zinc/94/29/17/425942917.db2.gz NEYDXQISSYVBMW-SJORKVTESA-N 1 1 302.418 2.784 50 0 DFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000069512553 425944314 /nfs/dbraw/zinc/94/43/14/425944314.db2.gz JUWFYPVOUNGNPN-GJZGRUSLSA-N 1 1 316.401 2.504 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1nccs1 ZINC000069585906 425947815 /nfs/dbraw/zinc/94/78/15/425947815.db2.gz SMFPXTDVAOWMGT-KGLIPLIRSA-N 1 1 307.463 2.551 50 0 DFAAMO Cc1ncc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000069615419 425949246 /nfs/dbraw/zinc/94/92/46/425949246.db2.gz FXCUELNVDHLURV-CQSZACIVSA-N 1 1 302.399 2.883 50 0 DFAAMO Cc1ncc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000069615419 425949248 /nfs/dbraw/zinc/94/92/48/425949248.db2.gz FXCUELNVDHLURV-CQSZACIVSA-N 1 1 302.399 2.883 50 0 DFAAMO Cn1ccc2c1cccc2C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069592481 425949565 /nfs/dbraw/zinc/94/95/65/425949565.db2.gz UYTPEPSFRGLMMD-ROUUACIJSA-N 1 1 311.429 2.877 50 0 DFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCc2ccccn2)C1 ZINC000069631926 425950311 /nfs/dbraw/zinc/95/03/11/425950311.db2.gz UYGGTKUWWASNHD-KRWDZBQOSA-N 1 1 312.417 2.773 50 0 DFAAMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000069630812 425951016 /nfs/dbraw/zinc/95/10/16/425951016.db2.gz AXAANZJKHDCXRV-QGZVFWFLSA-N 1 1 314.433 2.978 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)n1 ZINC000069624536 425951193 /nfs/dbraw/zinc/95/11/93/425951193.db2.gz YOUMBQQXRLPFKR-CQSZACIVSA-N 1 1 306.360 2.838 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cccc(F)c2F)n1 ZINC000069624536 425951195 /nfs/dbraw/zinc/95/11/95/425951195.db2.gz YOUMBQQXRLPFKR-CQSZACIVSA-N 1 1 306.360 2.838 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000069665165 425953201 /nfs/dbraw/zinc/95/32/01/425953201.db2.gz LKCRJJVGYFDJEI-MSOLQXFVSA-N 1 1 309.413 2.934 50 0 DFAAMO C[C@H]([C@H](C)[NH2+]Cc1nc(Cc2ccccc2)no1)n1cccn1 ZINC000069777816 425957199 /nfs/dbraw/zinc/95/71/99/425957199.db2.gz NGGYONIAXBWXQX-UONOGXRCSA-N 1 1 311.389 2.596 50 0 DFAAMO CNC(=O)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000069814896 425958949 /nfs/dbraw/zinc/95/89/49/425958949.db2.gz CZKNSSAMBNSCHN-OAHLLOKOSA-N 1 1 320.339 2.865 50 0 DFAAMO Cn1cc([C@H]2CCC[N@H+]2CCC(=O)N2CCc3ccccc32)cn1 ZINC000069840874 425959936 /nfs/dbraw/zinc/95/99/36/425959936.db2.gz DXKIVYHRQLIBTR-QGZVFWFLSA-N 1 1 324.428 2.536 50 0 DFAAMO Cc1cc2cn[nH]c2c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000069843616 425960424 /nfs/dbraw/zinc/96/04/24/425960424.db2.gz ZGJLBFXDYWMBPY-CVEARBPZSA-N 1 1 312.417 2.570 50 0 DFAAMO Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000069843616 425960428 /nfs/dbraw/zinc/96/04/28/425960428.db2.gz ZGJLBFXDYWMBPY-CVEARBPZSA-N 1 1 312.417 2.570 50 0 DFAAMO Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000069843616 425960430 /nfs/dbraw/zinc/96/04/30/425960430.db2.gz ZGJLBFXDYWMBPY-CVEARBPZSA-N 1 1 312.417 2.570 50 0 DFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000069848691 425961260 /nfs/dbraw/zinc/96/12/60/425961260.db2.gz RYGLBSYEBUBHQE-GFCCVEGCSA-N 1 1 306.797 2.904 50 0 DFAAMO Cc1ccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)s1 ZINC000069901639 425962891 /nfs/dbraw/zinc/96/28/91/425962891.db2.gz ATKNRBKZWYWEGF-AWEZNQCLSA-N 1 1 303.431 2.968 50 0 DFAAMO O=[S@@](CC[N@H+]1CCCC[C@@H]1Cn1cccn1)c1ccccc1 ZINC000069921972 425963211 /nfs/dbraw/zinc/96/32/11/425963211.db2.gz HWWIXHZQPOPRCW-OPAMFIHVSA-N 1 1 317.458 2.545 50 0 DFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)cc3cn[nH]c32)C1 ZINC000069928115 425963739 /nfs/dbraw/zinc/96/37/39/425963739.db2.gz SSWSGYOBIDQIHV-OAHLLOKOSA-N 1 1 323.400 2.854 50 0 DFAAMO Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000069928115 425963741 /nfs/dbraw/zinc/96/37/41/425963741.db2.gz SSWSGYOBIDQIHV-OAHLLOKOSA-N 1 1 323.400 2.854 50 0 DFAAMO c1ncn(C[C@H]2CCC[N@@H+](Cc3ncc(-c4ccccc4)o3)C2)n1 ZINC000069927948 425964557 /nfs/dbraw/zinc/96/45/57/425964557.db2.gz ATKTYUWGBVVHKY-HNNXBMFYSA-N 1 1 323.400 2.845 50 0 DFAAMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCn3cccn3)n2)cc1F ZINC000069982002 425965232 /nfs/dbraw/zinc/96/52/32/425965232.db2.gz WOXZJDYSQJAUTO-LBPRGKRZSA-N 1 1 315.352 2.731 50 0 DFAAMO C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070040068 425966750 /nfs/dbraw/zinc/96/67/50/425966750.db2.gz IVGRXQYHFUNSOK-KXBFYZLASA-N 1 1 322.412 2.893 50 0 DFAAMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000070040068 425966752 /nfs/dbraw/zinc/96/67/52/425966752.db2.gz IVGRXQYHFUNSOK-KXBFYZLASA-N 1 1 322.412 2.893 50 0 DFAAMO CC[NH+]1CCN(C(=O)c2cccc3c4c([nH]c32)CCCC4)CC1 ZINC000074343949 426047275 /nfs/dbraw/zinc/04/72/75/426047275.db2.gz BQXFIJWWNYUTAK-UHFFFAOYSA-N 1 1 311.429 2.824 50 0 DFAAMO CC(C)OCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000075142620 426064988 /nfs/dbraw/zinc/06/49/88/426064988.db2.gz DKFKDHZYHUJITK-WMZOPIPTSA-N 1 1 318.461 2.780 50 0 DFAAMO C[C@H](c1cccc2ccccc21)[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000072253398 426010417 /nfs/dbraw/zinc/01/04/17/426010417.db2.gz XJHDDSRIWYNZAI-WBVHZDCISA-N 1 1 322.412 2.893 50 0 DFAAMO CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348301 426014202 /nfs/dbraw/zinc/01/42/02/426014202.db2.gz OYWBNEVZRPDTGU-UYAOXDASSA-N 1 1 315.505 2.720 50 0 DFAAMO CCN1CCN([C@@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348301 426014205 /nfs/dbraw/zinc/01/42/05/426014205.db2.gz OYWBNEVZRPDTGU-UYAOXDASSA-N 1 1 315.505 2.720 50 0 DFAAMO CCN1CCN([C@@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348301 426014209 /nfs/dbraw/zinc/01/42/09/426014209.db2.gz OYWBNEVZRPDTGU-UYAOXDASSA-N 1 1 315.505 2.720 50 0 DFAAMO CC[N@@H+](C)C[C@H]1CCN(c2nc3cc(C)nn3c3ccccc32)C1 ZINC000072302154 426014322 /nfs/dbraw/zinc/01/43/22/426014322.db2.gz WCNAAYJHBIVUPG-OAHLLOKOSA-N 1 1 323.444 2.969 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C[C@H](C)S1 ZINC000075890767 426089319 /nfs/dbraw/zinc/08/93/19/426089319.db2.gz DPSOSDJIIVAFLP-VNHYZAJKSA-N 1 1 306.431 2.838 50 0 DFAAMO CN(C[C@H]1CCN(c2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000077302737 426126674 /nfs/dbraw/zinc/12/66/74/426126674.db2.gz KJBRTAVNCPWISP-CQSZACIVSA-N 1 1 307.401 2.921 50 0 DFAAMO Cc1nc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)c(C)o1 ZINC000077342454 426127743 /nfs/dbraw/zinc/12/77/43/426127743.db2.gz CUDBMRFIFFQPTP-UHFFFAOYSA-N 1 1 319.430 2.701 50 0 DFAAMO Cc1nc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c(C)o1 ZINC000077342454 426127747 /nfs/dbraw/zinc/12/77/47/426127747.db2.gz CUDBMRFIFFQPTP-UHFFFAOYSA-N 1 1 319.430 2.701 50 0 DFAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCC(F)(F)F ZINC000077423351 426133348 /nfs/dbraw/zinc/13/33/48/426133348.db2.gz IIPHMUNGWYBMFD-CQSZACIVSA-N 1 1 314.351 2.844 50 0 DFAAMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCCN2CCOC2=O)c1 ZINC000075838690 426086742 /nfs/dbraw/zinc/08/67/42/426086742.db2.gz NODRSQNKFREKLV-QGZVFWFLSA-N 1 1 317.433 2.732 50 0 DFAAMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ncccc1F ZINC000170614933 426140448 /nfs/dbraw/zinc/14/04/48/426140448.db2.gz YWAWGJGZANLFQR-MRXNPFEDSA-N 1 1 315.392 2.790 50 0 DFAAMO COc1ccccc1[C@@H](C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000089909789 426318190 /nfs/dbraw/zinc/31/81/90/426318190.db2.gz ZDRMIMHHMZHTFL-HUUCEWRRSA-N 1 1 317.433 2.636 50 0 DFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000089938238 426319637 /nfs/dbraw/zinc/31/96/37/426319637.db2.gz ACLSKLVWAFCVEB-SNVBAGLBSA-N 1 1 306.391 2.571 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1nc(-c2ccco2)cs1 ZINC000089938238 426319640 /nfs/dbraw/zinc/31/96/40/426319640.db2.gz ACLSKLVWAFCVEB-SNVBAGLBSA-N 1 1 306.391 2.571 50 0 DFAAMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1Oc1cccnc1 ZINC000089938677 426321048 /nfs/dbraw/zinc/32/10/48/426321048.db2.gz SVDHWNFMTYHCBZ-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1Oc1cccnc1 ZINC000089938677 426321051 /nfs/dbraw/zinc/32/10/51/426321051.db2.gz SVDHWNFMTYHCBZ-CQSZACIVSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000089938700 426321425 /nfs/dbraw/zinc/32/14/25/426321425.db2.gz BQVGXSOZKJFNCY-AWEZNQCLSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccnc1Oc1ccccc1 ZINC000089938700 426321427 /nfs/dbraw/zinc/32/14/27/426321427.db2.gz BQVGXSOZKJFNCY-AWEZNQCLSA-N 1 1 311.385 2.650 50 0 DFAAMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000089938486 426321464 /nfs/dbraw/zinc/32/14/64/426321464.db2.gz LWMNUIUZFIDEHE-NSHDSACASA-N 1 1 303.793 2.664 50 0 DFAAMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(Cl)c2cccnc12 ZINC000089938486 426321466 /nfs/dbraw/zinc/32/14/66/426321466.db2.gz LWMNUIUZFIDEHE-NSHDSACASA-N 1 1 303.793 2.664 50 0 DFAAMO c1ccc(C2CC[NH+](Cc3nc([C@H]4CCOC4)no3)CC2)cc1 ZINC000096148910 426401365 /nfs/dbraw/zinc/40/13/65/426401365.db2.gz DFQZVFBQWYGRGS-INIZCTEOSA-N 1 1 313.401 2.953 50 0 DFAAMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1O ZINC000096163371 426402947 /nfs/dbraw/zinc/40/29/47/426402947.db2.gz KIFSSARXIFCQFM-IRXDYDNUSA-N 1 1 303.427 2.733 50 0 DFAAMO COc1ccccc1[C@H]([NH2+]Cc1ncnn1C)C1CCCC1 ZINC000091349788 426341736 /nfs/dbraw/zinc/34/17/36/426341736.db2.gz RNDKHDWCKHOSHN-QGZVFWFLSA-N 1 1 300.406 2.845 50 0 DFAAMO CCCc1nc(C(=O)NCCNc2[nH+]cccc2C)cs1 ZINC000091270300 426342072 /nfs/dbraw/zinc/34/20/72/426342072.db2.gz KPZIOUNNXWOBMX-UHFFFAOYSA-N 1 1 304.419 2.641 50 0 DFAAMO CC(C)c1nc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)co1 ZINC000092028775 426346469 /nfs/dbraw/zinc/34/64/69/426346469.db2.gz RJDGXPFIBBCYBI-KDOFPFPSSA-N 1 1 322.449 2.798 50 0 DFAAMO CC(C)c1nc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)co1 ZINC000092028775 426346472 /nfs/dbraw/zinc/34/64/72/426346472.db2.gz RJDGXPFIBBCYBI-KDOFPFPSSA-N 1 1 322.449 2.798 50 0 DFAAMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000095348560 426366316 /nfs/dbraw/zinc/36/63/16/426366316.db2.gz PPZXNTGERUTALA-KRWDZBQOSA-N 1 1 310.397 2.573 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)NCCc1ccncc1 ZINC000095357565 426367194 /nfs/dbraw/zinc/36/71/94/426367194.db2.gz VKWXKTQCOHWDIS-LJQANCHMSA-N 1 1 323.440 2.620 50 0 DFAAMO Cc1ccccc1[C@@H](C(=O)NCCCC(C)(C)CO)[NH+](C)C ZINC000095362574 426367619 /nfs/dbraw/zinc/36/76/19/426367619.db2.gz FQSQUCPCCBFEMU-INIZCTEOSA-N 1 1 306.450 2.513 50 0 DFAAMO COc1cc2c(cc1CNC(=O)[C@H]1CCCCC[N@H+]1C)CCC2 ZINC000095362684 426367709 /nfs/dbraw/zinc/36/77/09/426367709.db2.gz DOBYTACKCNDRNC-QGZVFWFLSA-N 1 1 316.445 2.675 50 0 DFAAMO CC(C)n1cc[nH+]c1[C@H]1CCCN(c2cncc(N(C)C)n2)C1 ZINC000095362271 426367818 /nfs/dbraw/zinc/36/78/18/426367818.db2.gz LPMKXRQLMOTTNL-AWEZNQCLSA-N 1 1 314.437 2.704 50 0 DFAAMO Cc1noc2nc(C)nc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)c12 ZINC000095362256 426367999 /nfs/dbraw/zinc/36/79/99/426367999.db2.gz OXAOXHQZZMZSOD-HNNXBMFYSA-N 1 1 323.400 2.921 50 0 DFAAMO Cc1ccc([C@@H](CNc2nc(N)nc3c2CCCC3)[NH+](C)C)o1 ZINC000095358889 426368077 /nfs/dbraw/zinc/36/80/77/426368077.db2.gz IDOPWGOFSQCHFF-CQSZACIVSA-N 1 1 315.421 2.554 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)NCCc1ccc(O)cc1)[NH+](C)C ZINC000095361831 426368219 /nfs/dbraw/zinc/36/82/19/426368219.db2.gz YYBMORDTWNYJLV-GOSISDBHSA-N 1 1 312.413 2.662 50 0 DFAAMO CCOCC1CCN(C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000095374450 426369013 /nfs/dbraw/zinc/36/90/13/426369013.db2.gz QDTFNHYDFJKPBN-KRWDZBQOSA-N 1 1 322.424 2.704 50 0 DFAAMO Cc1cccc(OC2CN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000095373737 426369022 /nfs/dbraw/zinc/36/90/22/426369022.db2.gz NMWNZURBXMXOGW-MRXNPFEDSA-N 1 1 316.445 2.849 50 0 DFAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2C ZINC000095374193 426369036 /nfs/dbraw/zinc/36/90/36/426369036.db2.gz LZOIXADFKHSOJP-JKSUJKDBSA-N 1 1 324.424 2.901 50 0 DFAAMO CCc1nc(C)c(CNC(=O)CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000095378889 426369397 /nfs/dbraw/zinc/36/93/97/426369397.db2.gz PVABEHWZTKWVIK-ZDUSSCGKSA-N 1 1 309.479 2.752 50 0 DFAAMO COC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095371530 426369436 /nfs/dbraw/zinc/36/94/36/426369436.db2.gz QFUSXESKLMLKOP-ARFHVFGLSA-N 1 1 322.355 2.593 50 0 DFAAMO CCCCSc1nc(N[C@@H](C)c2cnn(C)c2)cc(N)[nH+]1 ZINC000095379076 426369875 /nfs/dbraw/zinc/36/98/75/426369875.db2.gz YHXCOQWKEYEPAK-JTQLQIEISA-N 1 1 306.439 2.858 50 0 DFAAMO CCCCSc1nc(N)cc(N[C@@H](C)c2cnn(C)c2)[nH+]1 ZINC000095379076 426369876 /nfs/dbraw/zinc/36/98/76/426369876.db2.gz YHXCOQWKEYEPAK-JTQLQIEISA-N 1 1 306.439 2.858 50 0 DFAAMO CCn1ccnc1CN1C[C@H]2CC[C@H](C[N@@H+]2CC=C(C)C)C1 ZINC000095384291 426370772 /nfs/dbraw/zinc/37/07/72/426370772.db2.gz PEPNFJLMRMDTDY-DLBZAZTESA-N 1 1 302.466 2.765 50 0 DFAAMO CN(Cc1ccc(Cl)nc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095388609 426372251 /nfs/dbraw/zinc/37/22/51/426372251.db2.gz YJIMSPXMPVIVNN-AWEZNQCLSA-N 1 1 309.841 2.958 50 0 DFAAMO CCCOc1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1OC ZINC000095940827 426375269 /nfs/dbraw/zinc/37/52/69/426375269.db2.gz RDVHEWHDTIGXCQ-YEJXKQKISA-N 1 1 313.463 2.683 50 0 DFAAMO Cc1ccc(CN2CCN(c3cc[nH+]cc3Cl)CC2)nc1 ZINC000095980413 426381348 /nfs/dbraw/zinc/38/13/48/426381348.db2.gz YVUKPHNXDBNMPX-UHFFFAOYSA-N 1 1 302.809 2.761 50 0 DFAAMO NC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095982244 426382924 /nfs/dbraw/zinc/38/29/24/426382924.db2.gz GSHJYUKCGQRALL-SECBINFHSA-N 1 1 306.715 2.666 50 0 DFAAMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000095982244 426382927 /nfs/dbraw/zinc/38/29/27/426382927.db2.gz GSHJYUKCGQRALL-SECBINFHSA-N 1 1 306.715 2.666 50 0 DFAAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCSC(C)(C)C)C1 ZINC000095996332 426385828 /nfs/dbraw/zinc/38/58/28/426385828.db2.gz UFRRAEJQTYEDEV-KBPBESRZSA-N 1 1 313.511 2.644 50 0 DFAAMO NC(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000096008453 426387437 /nfs/dbraw/zinc/38/74/37/426387437.db2.gz JJGWEXIQSACTMC-UHFFFAOYSA-N 1 1 316.788 2.664 50 0 DFAAMO O=C1CCCN1[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000096410339 426415566 /nfs/dbraw/zinc/41/55/66/426415566.db2.gz ZEEWNHUBDPTJNM-HNNXBMFYSA-N 1 1 304.459 2.866 50 0 DFAAMO CC[N@@H+](CCNC(=O)c1cccc(-c2noc(C)n2)c1)C(C)C ZINC000096423727 426420471 /nfs/dbraw/zinc/42/04/71/426420471.db2.gz IMYPWQSHGDVSJI-UHFFFAOYSA-N 1 1 316.405 2.505 50 0 DFAAMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(OC)c2)C1 ZINC000096435749 426425257 /nfs/dbraw/zinc/42/52/57/426425257.db2.gz HKTPCJYHGNVWNE-INIZCTEOSA-N 1 1 306.406 2.525 50 0 DFAAMO CC(C)(C)NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000096441734 426426072 /nfs/dbraw/zinc/42/60/72/426426072.db2.gz NUQRSVQKGQBRCM-SJORKVTESA-N 1 1 318.461 2.879 50 0 DFAAMO FC(F)CN1CCC(N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000096478773 426433642 /nfs/dbraw/zinc/43/36/42/426433642.db2.gz YGHXUQKLUXIVQT-MRXNPFEDSA-N 1 1 315.452 2.570 50 0 DFAAMO FC(F)CN1CCC(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000096478773 426433646 /nfs/dbraw/zinc/43/36/46/426433646.db2.gz YGHXUQKLUXIVQT-MRXNPFEDSA-N 1 1 315.452 2.570 50 0 DFAAMO c1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c2c(c1)OCCCO2 ZINC000096489691 426434134 /nfs/dbraw/zinc/43/41/34/426434134.db2.gz SNWZEHKHLHFTMC-AWEZNQCLSA-N 1 1 303.402 2.849 50 0 DFAAMO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@H]1CCOC1 ZINC000096490076 426436100 /nfs/dbraw/zinc/43/61/00/426436100.db2.gz OKJDYMQBFHSGRP-CYBMUJFWSA-N 1 1 305.809 2.994 50 0 DFAAMO O=C(CC[N@H+]1CCC[C@H](n2cccn2)C1)c1ccc(F)cc1 ZINC000096495498 426437233 /nfs/dbraw/zinc/43/72/33/426437233.db2.gz AWCXQAIBXKVPMW-INIZCTEOSA-N 1 1 301.365 2.932 50 0 DFAAMO Cc1[nH+]ccn1C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000096501879 426437791 /nfs/dbraw/zinc/43/77/91/426437791.db2.gz ZQLIXRGGGCVBDA-LLVKDONJSA-N 1 1 300.280 2.650 50 0 DFAAMO COc1ccc(/C=C\C(=O)NCCC[N@@H+](C)C(C)C)cc1F ZINC000097073736 426445170 /nfs/dbraw/zinc/44/51/70/426445170.db2.gz CWQXOHSHEMTPHN-CLFYSBASSA-N 1 1 308.397 2.694 50 0 DFAAMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000097136994 426453377 /nfs/dbraw/zinc/45/33/77/426453377.db2.gz RZJYOEIPCAKLJN-LBPRGKRZSA-N 1 1 316.323 2.686 50 0 DFAAMO C[N@H+]1CCC[C@H]1CCNC(C)(C)c1cn(-c2ccccc2)nn1 ZINC000097112498 426450857 /nfs/dbraw/zinc/45/08/57/426450857.db2.gz HRYSLPKQVCGKAC-HNNXBMFYSA-N 1 1 313.449 2.576 50 0 DFAAMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C)cc(C)n1 ZINC000097142917 426454289 /nfs/dbraw/zinc/45/42/89/426454289.db2.gz VQCOPYOCYDHJRA-UHFFFAOYSA-N 1 1 301.394 2.805 50 0 DFAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000097200843 426457715 /nfs/dbraw/zinc/45/77/15/426457715.db2.gz BUKLTPQHNBCAAP-HNNXBMFYSA-N 1 1 300.406 2.929 50 0 DFAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000097200843 426457718 /nfs/dbraw/zinc/45/77/18/426457718.db2.gz BUKLTPQHNBCAAP-HNNXBMFYSA-N 1 1 300.406 2.929 50 0 DFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000097436983 426466347 /nfs/dbraw/zinc/46/63/47/426466347.db2.gz FTMATRFEPYWLBX-CQSZACIVSA-N 1 1 314.351 2.848 50 0 DFAAMO C[C@H](CC[NH+]1CCN(C2CCOCC2)CC1)c1ccccc1 ZINC000097675245 426471813 /nfs/dbraw/zinc/47/18/13/426471813.db2.gz KVULBBJSQUDWKX-QGZVFWFLSA-N 1 1 302.462 2.977 50 0 DFAAMO CC(C)CN(Cc1ccco1)C(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000097742686 426473324 /nfs/dbraw/zinc/47/33/24/426473324.db2.gz KAPXTJRLMMSDBZ-KRWDZBQOSA-N 1 1 322.449 2.764 50 0 DFAAMO O=S(=O)(/C=C\c1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000098009519 426475151 /nfs/dbraw/zinc/47/51/51/426475151.db2.gz HUXNYSIPBBSWBP-KVNDZABWSA-N 1 1 320.458 2.594 50 0 DFAAMO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(F)c3)C2=O)cc1 ZINC000101362029 426484236 /nfs/dbraw/zinc/48/42/36/426484236.db2.gz KLSDQVXYSMFXFY-INIZCTEOSA-N 1 1 312.344 2.556 50 0 DFAAMO CSc1ncc(C[N@@H+](C)[C@@H](C)Cc2cc(C)ccn2)cn1 ZINC000215011559 426551485 /nfs/dbraw/zinc/55/14/85/426551485.db2.gz LKXPYKRLHQNVSC-ZDUSSCGKSA-N 1 1 302.447 2.965 50 0 DFAAMO Cc1ncc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)n1C ZINC000215393371 426552057 /nfs/dbraw/zinc/55/20/57/426552057.db2.gz XYXVSGJTFAQYJU-LBPRGKRZSA-N 1 1 301.390 2.693 50 0 DFAAMO Cc1ncc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)n1C ZINC000215393371 426552063 /nfs/dbraw/zinc/55/20/63/426552063.db2.gz XYXVSGJTFAQYJU-LBPRGKRZSA-N 1 1 301.390 2.693 50 0 DFAAMO CN(Cc1cccnc1N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215613215 426553827 /nfs/dbraw/zinc/55/38/27/426553827.db2.gz NVHAMLGKKBEITD-KRWDZBQOSA-N 1 1 310.445 2.618 50 0 DFAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000221318806 426579151 /nfs/dbraw/zinc/57/91/51/426579151.db2.gz BKBUKDWDJGJXHE-OAHLLOKOSA-N 1 1 320.408 2.680 50 0 DFAAMO Cc1cccc2c(CN3CCN4CC[N@H+](C)C[C@H]4C3)cccc12 ZINC000225326954 426597824 /nfs/dbraw/zinc/59/78/24/426597824.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 1 1 309.457 2.580 50 0 DFAAMO Cc1cccc2c(C[N@H+]3CCN4CCN(C)C[C@H]4C3)cccc12 ZINC000225326954 426597826 /nfs/dbraw/zinc/59/78/26/426597826.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 1 1 309.457 2.580 50 0 DFAAMO Cc1cccc2c(C[N@@H+]3CCN4CCN(C)C[C@H]4C3)cccc12 ZINC000225326954 426597829 /nfs/dbraw/zinc/59/78/29/426597829.db2.gz LEJACEFCQCFHPF-SFHVURJKSA-N 1 1 309.457 2.580 50 0 DFAAMO C[N@@H+](CCO)C1(CNc2ncnc3ccsc32)CCCCC1 ZINC000225388345 426598842 /nfs/dbraw/zinc/59/88/42/426598842.db2.gz RENZWRWUBCKBPP-UHFFFAOYSA-N 1 1 320.462 2.730 50 0 DFAAMO O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1Cl)[C@H]1CSC[NH2+]1 ZINC000225463724 426602145 /nfs/dbraw/zinc/60/21/45/426602145.db2.gz BPUOIBYNGFCIQG-DVVUODLYSA-N 1 1 317.241 2.628 50 0 DFAAMO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C ZINC000225480188 426604597 /nfs/dbraw/zinc/60/45/97/426604597.db2.gz DEEAZEACGFQSNO-CYBMUJFWSA-N 1 1 309.410 2.951 50 0 DFAAMO CCC1(CC)C[N@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000216141476 426557334 /nfs/dbraw/zinc/55/73/34/426557334.db2.gz TWWQPDUHSOEXCO-UHFFFAOYSA-N 1 1 312.417 2.930 50 0 DFAAMO CCC1(CC)C[N@@H+](Cc2cnc(-c3ccccn3)nc2)CCO1 ZINC000216141476 426557337 /nfs/dbraw/zinc/55/73/37/426557337.db2.gz TWWQPDUHSOEXCO-UHFFFAOYSA-N 1 1 312.417 2.930 50 0 DFAAMO Cc1cc([C@H]2CCCN2C(=O)NCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000230190286 426645151 /nfs/dbraw/zinc/64/51/51/426645151.db2.gz GBTKTWPZIALKGR-HUUCEWRRSA-N 1 1 320.437 2.704 50 0 DFAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCS[C@@H]3COCC[C@H]32)o1 ZINC000230181765 426646636 /nfs/dbraw/zinc/64/66/36/426646636.db2.gz 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428456620 /nfs/dbraw/zinc/45/66/20/428456620.db2.gz LCSQISSYXVEGEN-SNVBAGLBSA-N 1 1 324.837 2.660 50 0 DFAAMO CCCC(CCC)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000373294305 428539830 /nfs/dbraw/zinc/53/98/30/428539830.db2.gz RJPQFBNGIOUGFR-OAHLLOKOSA-N 1 1 310.482 2.915 50 0 DFAAMO OCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000343523703 428552885 /nfs/dbraw/zinc/55/28/85/428552885.db2.gz UDQDHZHSDKPBDV-QZTJIDSGSA-N 1 1 301.361 2.626 50 0 DFAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007486488 274285148 /nfs/dbraw/zinc/28/51/48/274285148.db2.gz XNOUURWFZKUXCU-CYBMUJFWSA-N 1 1 315.417 2.625 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000007486488 274285149 /nfs/dbraw/zinc/28/51/49/274285149.db2.gz XNOUURWFZKUXCU-CYBMUJFWSA-N 1 1 315.417 2.625 50 0 DFAAMO Cc1[nH]c2ccccc2c1C1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000048342433 274656017 /nfs/dbraw/zinc/65/60/17/274656017.db2.gz QXFYUMLNSMHGIH-UHFFFAOYSA-N 1 1 320.458 2.700 50 0 DFAAMO 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/nfs/dbraw/zinc/05/74/53/275057453.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 1 1 318.436 2.808 50 0 DFAAMO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057454 /nfs/dbraw/zinc/05/74/54/275057454.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 1 1 318.436 2.808 50 0 DFAAMO O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000247031568 275057455 /nfs/dbraw/zinc/05/74/55/275057455.db2.gz YKYQELFZTIEMET-KFKAGJAMSA-N 1 1 318.436 2.808 50 0 DFAAMO c1ccc(C[N@H+]2CCCN(c3nc4ccccc4[nH]3)CC2)nc1 ZINC000069527769 275067121 /nfs/dbraw/zinc/06/71/21/275067121.db2.gz HKSIWBGVKWBVMU-UHFFFAOYSA-N 1 1 307.401 2.670 50 0 DFAAMO Brc1cncc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000078303348 275377461 /nfs/dbraw/zinc/37/74/61/275377461.db2.gz HFEMSOIGAFUIBI-NILFDRSVSA-N 1 1 322.250 2.765 50 0 DFAAMO C[N@H+]1CCN(C(=O)c2cc(C3CC3)on2)C2(CCCCC2)C1 ZINC000174567976 277096752 /nfs/dbraw/zinc/09/67/52/277096752.db2.gz NFTVEWOUEWDWHP-UHFFFAOYSA-N 1 1 303.406 2.643 50 0 DFAAMO CC(C)(C)C1CCC2(CC1)NC(=O)N(C[NH+]1CCCCC1)C2=O ZINC000057335985 277134026 /nfs/dbraw/zinc/13/40/26/277134026.db2.gz PGTJBVAMECSWHK-UHFFFAOYSA-N 1 1 321.465 2.957 50 0 DFAAMO COCCN(C)CCC[NH2+]Cc1ccc(Br)cc1 ZINC000097287839 277212019 /nfs/dbraw/zinc/21/20/19/277212019.db2.gz UTBJCWWWAWXGDD-UHFFFAOYSA-N 1 1 315.255 2.507 50 0 DFAAMO CC(C)(C)SCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000225785954 277223084 /nfs/dbraw/zinc/22/30/84/277223084.db2.gz YWXBUGZNOOTUML-ZFWWWQNUSA-N 1 1 310.507 2.993 50 0 DFAAMO C[C@H](C1CC1)[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1 ZINC000040120231 278160785 /nfs/dbraw/zinc/16/07/85/278160785.db2.gz NPWBLYLMNRJZKP-MRXNPFEDSA-N 1 1 316.445 2.536 50 0 DFAAMO C[C@H]1CCN(C(=O)C[NH+]2CCC(C(F)(F)F)CC2)[C@@H](C)C1 ZINC000225740134 278357770 /nfs/dbraw/zinc/35/77/70/278357770.db2.gz AMPCOGBWNFQYLT-RYUDHWBXSA-N 1 1 306.372 2.908 50 0 DFAAMO Cc1cc(N[C@@H]2CS(=O)(=O)c3ccccc32)nc(C2CC2)[nH+]1 ZINC000097376186 278734579 /nfs/dbraw/zinc/73/45/79/278734579.db2.gz BMRRZUPGANOCCX-CYBMUJFWSA-N 1 1 315.398 2.603 50 0 DFAAMO CC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000253417176 288113141 /nfs/dbraw/zinc/11/31/41/288113141.db2.gz NPHVQZHBYSHOQP-MJVIPROJSA-N 1 1 303.324 2.584 50 0 DFAAMO Cc1ccc(N2C(=O)N(C[NH+]3CCCCC3)C(=O)[C@@H]2C)cc1 ZINC000057322983 280859718 /nfs/dbraw/zinc/85/97/18/280859718.db2.gz BNWMYTMXXSSSSA-AWEZNQCLSA-N 1 1 301.390 2.596 50 0 DFAAMO Cc1cc(CN(C)C(=O)[C@H](c2ccccc2C)[NH+](C)C)on1 ZINC000095380574 301270517 /nfs/dbraw/zinc/27/05/17/301270517.db2.gz RVNDXFGLDWPZIE-INIZCTEOSA-N 1 1 301.390 2.553 50 0 DFAAMO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)c1nccn1C ZINC000182625951 316110155 /nfs/dbraw/zinc/11/01/55/316110155.db2.gz RSFVZSXQOFAWBO-KBPBESRZSA-N 1 1 312.417 2.959 50 0 DFAAMO CC(=O)N1CC[NH+](Cc2ccccc2NCCC(C)C)CC1 ZINC000187527187 316211414 /nfs/dbraw/zinc/21/14/14/316211414.db2.gz YDCGHBYKGJQJHH-UHFFFAOYSA-N 1 1 303.450 2.809 50 0 DFAAMO Cc1ccc([C@@H](C(=O)NCc2cc(C)nc(C)c2)[NH+](C)C)cc1 ZINC000095366000 332169478 /nfs/dbraw/zinc/16/94/78/332169478.db2.gz YKOFHTAVKIEQBL-SFHVURJKSA-N 1 1 311.429 2.926 50 0 DFAAMO Cc1cc(Cl)cc2c(NC[C@H]3CN(C)CCO3)cc[nH+]c12 ZINC000534651151 334312045 /nfs/dbraw/zinc/31/20/45/334312045.db2.gz OQLZQDHEBHPWQW-ZDUSSCGKSA-N 1 1 305.809 2.939 50 0 DFAAMO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000169751770 563897033 /nfs/dbraw/zinc/89/70/33/563897033.db2.gz LXYVQXKSJYPPOP-ZDUSSCGKSA-N 1 1 319.430 2.666 50 0 DFAAMO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000169751770 563897036 /nfs/dbraw/zinc/89/70/36/563897036.db2.gz LXYVQXKSJYPPOP-ZDUSSCGKSA-N 1 1 319.430 2.666 50 0 DFAAMO COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2CCC(C)(C)O)cc1 ZINC000225525344 398349122 /nfs/dbraw/zinc/34/91/22/398349122.db2.gz QHLRLQMAGSOKMW-WMZOPIPTSA-N 1 1 307.434 2.528 50 0 DFAAMO Cc1cc(NC(=O)CC[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)no1 ZINC000065967871 398352920 /nfs/dbraw/zinc/35/29/20/398352920.db2.gz WEENMNBMLIXSPK-DGKWVBSXSA-N 1 1 303.406 2.822 50 0 DFAAMO Cc1cccc([C@H](C(=O)NCCc2ccc(O)cc2)[NH+](C)C)c1 ZINC000095391755 185352003 /nfs/dbraw/zinc/35/20/03/185352003.db2.gz OQRYZNVDPNKCNV-GOSISDBHSA-N 1 1 312.413 2.662 50 0 DFAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000065487957 282268779 /nfs/dbraw/zinc/26/87/79/282268779.db2.gz ZLROLKRDLYYKKU-HNNXBMFYSA-N 1 1 318.396 2.547 50 0 DFAAMO CCSCC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000095401468 185354574 /nfs/dbraw/zinc/35/45/74/185354574.db2.gz XZRUBTMYSLRIMA-UHFFFAOYSA-N 1 1 306.475 2.976 50 0 DFAAMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000095397387 185353147 /nfs/dbraw/zinc/35/31/47/185353147.db2.gz IKIQBMSQIDGKNP-PWSUYJOCSA-N 1 1 319.380 2.786 50 0 DFAAMO C[C@@H](C(=O)Nc1ccn(CC(F)(F)F)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095431065 185363171 /nfs/dbraw/zinc/36/31/71/185363171.db2.gz CZCGGTKTGZMLPJ-AXFHLTTASA-N 1 1 318.343 2.645 50 0 DFAAMO Cc1cc(Cl)cc2c(=O)n(C[C@H]3CCCC[N@@H+]3C)cnc12 ZINC000584885219 398426295 /nfs/dbraw/zinc/42/62/95/398426295.db2.gz KDOFYLZPQMOONR-CYBMUJFWSA-N 1 1 305.809 2.843 50 0 DFAAMO Cc1cccc2nc(CC[NH2+]C3CSCCSC3)[nH]c21 ZINC000584890729 398427187 /nfs/dbraw/zinc/42/71/87/398427187.db2.gz NNLFLIBBMLOFQP-UHFFFAOYSA-N 1 1 307.488 2.852 50 0 DFAAMO CCCOc1ccc(C[N@@H+](C)Cc2c[nH]nc2C)cc1CO ZINC000584900650 398430837 /nfs/dbraw/zinc/43/08/37/398430837.db2.gz XMOIJDQQYQNQBA-UHFFFAOYSA-N 1 1 303.406 2.631 50 0 DFAAMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccccc2F)C[C@@H](C)O1 ZINC000229518532 201838054 /nfs/dbraw/zinc/83/80/54/201838054.db2.gz LMZXRVNJDLHLQK-RBSFLKMASA-N 1 1 320.408 2.540 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000068300653 398493624 /nfs/dbraw/zinc/49/36/24/398493624.db2.gz IVUUWMGWSDBRJH-HYVNUMGLSA-N 1 1 307.434 2.624 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H](c2ccccc2)O1 ZINC000068300653 398493627 /nfs/dbraw/zinc/49/36/27/398493627.db2.gz IVUUWMGWSDBRJH-HYVNUMGLSA-N 1 1 307.434 2.624 50 0 DFAAMO Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000069772451 190815286 /nfs/dbraw/zinc/81/52/86/190815286.db2.gz DECOTAQKPZKUPJ-ABAIWWIYSA-N 1 1 316.405 2.764 50 0 DFAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071466 398556559 /nfs/dbraw/zinc/55/65/59/398556559.db2.gz ZCXUVFLQWJGMIW-NSHDSACASA-N 1 1 307.829 2.739 50 0 DFAAMO Cc1cccc2c1ncnc2N(C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328620354 398566002 /nfs/dbraw/zinc/56/60/02/398566002.db2.gz GXWYCEKRTAWQAE-AWEZNQCLSA-N 1 1 307.401 2.834 50 0 DFAAMO CC(=O)N(C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C)cc1)C1CC1 ZINC000328623629 398566699 /nfs/dbraw/zinc/56/66/99/398566699.db2.gz CABNXGGOCJTOCW-MOPGFXCFSA-N 1 1 316.445 2.504 50 0 DFAAMO Cc1ccc2nc(C[N@@H+](C)C[C@H]3CCc4nccn4C3)cn2c1 ZINC000328639488 398569265 /nfs/dbraw/zinc/56/92/65/398569265.db2.gz POOYZIPUTPBXQH-OAHLLOKOSA-N 1 1 309.417 2.534 50 0 DFAAMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069668297 398579655 /nfs/dbraw/zinc/57/96/55/398579655.db2.gz GIFHHEIXWVOWSY-UKRRQHHQSA-N 1 1 324.388 2.554 50 0 DFAAMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069668297 398579659 /nfs/dbraw/zinc/57/96/59/398579659.db2.gz GIFHHEIXWVOWSY-UKRRQHHQSA-N 1 1 324.388 2.554 50 0 DFAAMO Cc1cnn(C[C@@H]2CCCC[N@H+]2Cc2c(C)nn(C)c2Cl)c1 ZINC000069738442 398583128 /nfs/dbraw/zinc/58/31/28/398583128.db2.gz BLXDSFCLEKKLDC-AWEZNQCLSA-N 1 1 321.856 2.942 50 0 DFAAMO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2c(C)nn(C)c2Cl)c1 ZINC000069738442 398583131 /nfs/dbraw/zinc/58/31/31/398583131.db2.gz BLXDSFCLEKKLDC-AWEZNQCLSA-N 1 1 321.856 2.942 50 0 DFAAMO CCOc1ccc(NC(=O)NCC[N@@H+](C)C2CC2)cc1OCC ZINC000069982571 398590765 /nfs/dbraw/zinc/59/07/65/398590765.db2.gz LWBOCXLFUAAOII-UHFFFAOYSA-N 1 1 321.421 2.700 50 0 DFAAMO CCc1ncc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cn1 ZINC000071764234 191027295 /nfs/dbraw/zinc/02/72/95/191027295.db2.gz IWRMCEFLIGOTIQ-SFHVURJKSA-N 1 1 316.493 2.981 50 0 DFAAMO CC(C)[C@@H]1CN(Cc2cccnc2N)CCC[N@H+]1CC1CC1 ZINC000071768084 191028987 /nfs/dbraw/zinc/02/89/87/191028987.db2.gz WVSQUUDSVGDQQQ-KRWDZBQOSA-N 1 1 302.466 2.606 50 0 DFAAMO Cc1noc(C)c1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071767890 191029235 /nfs/dbraw/zinc/02/92/35/191029235.db2.gz GXNVDTYEYNYBES-INIZCTEOSA-N 1 1 319.449 2.874 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 ZINC000072131300 191044528 /nfs/dbraw/zinc/04/45/28/191044528.db2.gz GVZRBGBYWHINGB-AWEZNQCLSA-N 1 1 324.852 2.888 50 0 DFAAMO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1nc3ccccc3o1)CC2 ZINC000071871790 398613325 /nfs/dbraw/zinc/61/33/25/398613325.db2.gz JKIWZZXJCWQCRU-LBPRGKRZSA-N 1 1 311.389 2.647 50 0 DFAAMO Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)sc1C ZINC000072297551 398615005 /nfs/dbraw/zinc/61/50/05/398615005.db2.gz JRQFEXWYWAZSPE-LSDHHAIUSA-N 1 1 321.490 2.950 50 0 DFAAMO Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000072151971 191057840 /nfs/dbraw/zinc/05/78/40/191057840.db2.gz RZAUQAVGNUUXQL-UYAOXDASSA-N 1 1 311.425 2.837 50 0 DFAAMO CC(C)Cc1nc(CN(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)no1 ZINC000072155961 191059671 /nfs/dbraw/zinc/05/96/71/191059671.db2.gz JLQINPLHFXTGRO-JKSUJKDBSA-N 1 1 320.481 2.964 50 0 DFAAMO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccc[nH]c1=O ZINC000072158604 191061460 /nfs/dbraw/zinc/06/14/60/191061460.db2.gz DMQDCUPGHPPNEX-OAHLLOKOSA-N 1 1 317.433 2.562 50 0 DFAAMO O=c1n2c(c(-c3ccccc3)n1-c1ccc(F)cc1)C[NH2+]CC2 ZINC000072233699 398613266 /nfs/dbraw/zinc/61/32/66/398613266.db2.gz QGVNMAARAONSFU-UHFFFAOYSA-N 1 1 309.344 2.548 50 0 DFAAMO Cc1nnnn1CCC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC000072163357 191063256 /nfs/dbraw/zinc/06/32/56/191063256.db2.gz DKSITDPRAPFUML-GOSISDBHSA-N 1 1 313.449 2.716 50 0 DFAAMO CN1C[C@@]2(CCC[N@@H+](Cc3c(F)cccc3F)CC2)OC1=O ZINC000072167130 191066436 /nfs/dbraw/zinc/06/64/36/191066436.db2.gz FJPFDFJCJZNBTQ-INIZCTEOSA-N 1 1 310.344 2.772 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCCc2ccccc21 ZINC000072270593 191092355 /nfs/dbraw/zinc/09/23/55/191092355.db2.gz QDYUTXIFPFKXDZ-MRXNPFEDSA-N 1 1 324.428 2.569 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCCc2ccccc21 ZINC000072270593 191092358 /nfs/dbraw/zinc/09/23/58/191092358.db2.gz QDYUTXIFPFKXDZ-MRXNPFEDSA-N 1 1 324.428 2.569 50 0 DFAAMO COCC[N@H+]1CCN(Cc2coc(-c3cccs3)n2)C[C@@H]1C ZINC000072279849 191101675 /nfs/dbraw/zinc/10/16/75/191101675.db2.gz MTESBNQCBMHUIL-ZDUSSCGKSA-N 1 1 321.446 2.556 50 0 DFAAMO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000188037695 186247569 /nfs/dbraw/zinc/24/75/69/186247569.db2.gz ULQKLXBNQFWOSW-HOTGVXAUSA-N 1 1 320.452 2.847 50 0 DFAAMO O=C(c1ccc[nH]1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072409476 191154213 /nfs/dbraw/zinc/15/42/13/191154213.db2.gz WFPCSTDYWJKEJD-UHFFFAOYSA-N 1 1 309.413 2.678 50 0 DFAAMO CCc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n2nccc2n1 ZINC000072474226 191176812 /nfs/dbraw/zinc/17/68/12/191176812.db2.gz YXQYBRSNTMZILJ-KRWDZBQOSA-N 1 1 321.428 2.978 50 0 DFAAMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)C1 ZINC000072838116 191235812 /nfs/dbraw/zinc/23/58/12/191235812.db2.gz 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Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000058304715 184102852 /nfs/dbraw/zinc/10/28/52/184102852.db2.gz VGYOMTMUCZPPCC-JFIYKMOQSA-N 1 1 316.445 2.709 50 0 DFAAMO Cc1cccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000058304714 184103149 /nfs/dbraw/zinc/10/31/49/184103149.db2.gz VGYOMTMUCZPPCC-JZXOWHBKSA-N 1 1 316.445 2.709 50 0 DFAAMO Cc1cccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000058304714 184103151 /nfs/dbraw/zinc/10/31/51/184103151.db2.gz VGYOMTMUCZPPCC-JZXOWHBKSA-N 1 1 316.445 2.709 50 0 DFAAMO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000058313362 184104071 /nfs/dbraw/zinc/10/40/71/184104071.db2.gz XVWMLFLENRBNQU-MFKMUULPSA-N 1 1 307.369 2.890 50 0 DFAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccncc3)C2)n1 ZINC000058331141 184106649 /nfs/dbraw/zinc/10/66/49/184106649.db2.gz OGPQFICJQRWCOU-QGZVFWFLSA-N 1 1 324.428 2.678 50 0 DFAAMO O=C(Nc1cn[nH]c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788073 184187610 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CCOc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3ccno3)cc2c1 ZINC000067724587 542458808 /nfs/dbraw/zinc/45/88/08/542458808.db2.gz YIPGBEDBVYBNRP-UHFFFAOYSA-N 1 1 313.357 2.547 50 0 DFAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C3CCC3)C2)nc1 ZINC000067727137 542459620 /nfs/dbraw/zinc/45/96/20/542459620.db2.gz GSVLLUUKXPFGKP-INIZCTEOSA-N 1 1 315.461 2.772 50 0 DFAAMO O=C(NC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1ccc[nH]1 ZINC000067742885 542460995 /nfs/dbraw/zinc/46/09/95/542460995.db2.gz MQRVEQMNIWZLQP-ZGRWHYIRSA-N 1 1 309.413 2.780 50 0 DFAAMO CCOc1ccnc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000426578864 257245777 /nfs/dbraw/zinc/24/57/77/257245777.db2.gz SVFQKNQJVUOANN-AWEZNQCLSA-N 1 1 313.401 2.936 50 0 DFAAMO Cc1[nH+]cn(CCNC(=O)[C@]2(c3ccccc3)CC2(C)C)c1C ZINC000426519370 257247758 /nfs/dbraw/zinc/24/77/58/257247758.db2.gz XBCHRFICNJAWSX-LJQANCHMSA-N 1 1 311.429 2.984 50 0 DFAAMO CC1(C)C[C@@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000408517279 257255175 /nfs/dbraw/zinc/25/51/75/257255175.db2.gz 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RWHRPQNUIJRMMH-INIZCTEOSA-N 1 1 304.434 2.585 50 0 DFAAMO Cc1ccc(N2C[C@H](C)[N@H+](CCCCCCO)CC2=O)cc1 ZINC000091444641 193056265 /nfs/dbraw/zinc/05/62/65/193056265.db2.gz RWHRPQNUIJRMMH-INIZCTEOSA-N 1 1 304.434 2.585 50 0 DFAAMO OCc1cccc(C[C@@H]2CC[N@H+](C3CSCCSC3)C2)c1 ZINC000091808902 193110921 /nfs/dbraw/zinc/11/09/21/193110921.db2.gz HRORACVKXSKIAC-HNNXBMFYSA-N 1 1 323.527 2.892 50 0 DFAAMO CCc1nc(C)sc1CNC(=O)[C@]1(C)CCC[N@H+](CC)C1 ZINC000091943065 193129433 /nfs/dbraw/zinc/12/94/33/193129433.db2.gz LCRIMRVIAWWCQN-MRXNPFEDSA-N 1 1 309.479 2.752 50 0 DFAAMO Cc1nc(N)cc(N2CCC[C@H](COc3cccc(F)c3)C2)[nH+]1 ZINC000091943876 193129675 /nfs/dbraw/zinc/12/96/75/193129675.db2.gz YFZANTBWMHEVQH-ZDUSSCGKSA-N 1 1 316.380 2.802 50 0 DFAAMO Cc1ccc([C@@H](C(=O)N2CCc3ncccc3C2)[NH+](C)C)cc1 ZINC000092037521 193144507 /nfs/dbraw/zinc/14/45/07/193144507.db2.gz PHLMILQPIWMKRO-SFHVURJKSA-N 1 1 309.413 2.578 50 0 DFAAMO c1nc2ncccn2c1C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000093364502 193239305 /nfs/dbraw/zinc/23/93/05/193239305.db2.gz UIOQZOOIWICMSH-HNNXBMFYSA-N 1 1 308.385 2.773 50 0 DFAAMO COc1cc(OC)c(C[N@@H+]2CCOC3(CCCC3)C2)c(OC)c1 ZINC000093589169 193270841 /nfs/dbraw/zinc/27/08/41/193270841.db2.gz NAFYNEHFFICUGW-UHFFFAOYSA-N 1 1 321.417 2.857 50 0 DFAAMO COc1cc(OC)c(C[N@H+]2CCOC3(CCCC3)C2)c(OC)c1 ZINC000093589169 193270842 /nfs/dbraw/zinc/27/08/42/193270842.db2.gz NAFYNEHFFICUGW-UHFFFAOYSA-N 1 1 321.417 2.857 50 0 DFAAMO O=C(C[NH2+][C@@H](CO)c1ccc(Cl)c(F)c1)Nc1ccccc1 ZINC000096006518 193488011 /nfs/dbraw/zinc/48/80/11/193488011.db2.gz CPFUVNHHPAWOKF-HNNXBMFYSA-N 1 1 322.767 2.741 50 0 DFAAMO C[C@@H](C[N@@H+]1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000215602055 399206447 /nfs/dbraw/zinc/20/64/47/399206447.db2.gz AWCBWNKABFQCRC-GUYCJALGSA-N 1 1 303.381 2.736 50 0 DFAAMO C[C@@H](C[N@H+]1CCO[C@H](c2cnn(C)c2)C1)c1ccc(F)cc1 ZINC000215602055 399206453 /nfs/dbraw/zinc/20/64/53/399206453.db2.gz AWCBWNKABFQCRC-GUYCJALGSA-N 1 1 303.381 2.736 50 0 DFAAMO C[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000018173368 182095772 /nfs/dbraw/zinc/09/57/72/182095772.db2.gz VJUSNBKXGZHAKN-INIZCTEOSA-N 1 1 312.344 2.590 50 0 DFAAMO C[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000018173368 182095773 /nfs/dbraw/zinc/09/57/73/182095773.db2.gz VJUSNBKXGZHAKN-INIZCTEOSA-N 1 1 312.344 2.590 50 0 DFAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000019359122 182117605 /nfs/dbraw/zinc/11/76/05/182117605.db2.gz NOKJBEBOLQRJMD-UHFFFAOYSA-N 1 1 311.429 2.798 50 0 DFAAMO CC(C)=CCN1CC[N@@H+](Cc2sccc2C)C[C@@H]1CCO ZINC000019720950 182138412 /nfs/dbraw/zinc/13/84/12/182138412.db2.gz IDBODEUXRLBXAR-INIZCTEOSA-N 1 1 308.491 2.891 50 0 DFAAMO CC(C)=CC[N@@H+]1CCN(Cc2sccc2C)C[C@@H]1CCO ZINC000019720950 182138414 /nfs/dbraw/zinc/13/84/14/182138414.db2.gz IDBODEUXRLBXAR-INIZCTEOSA-N 1 1 308.491 2.891 50 0 DFAAMO CC(C)=CC[N@H+]1CCN(Cc2sccc2C)C[C@@H]1CCO ZINC000019720950 182138416 /nfs/dbraw/zinc/13/84/16/182138416.db2.gz IDBODEUXRLBXAR-INIZCTEOSA-N 1 1 308.491 2.891 50 0 DFAAMO OCC[C@H]1C[N@H+](C2CCCC2)CCN1Cc1ccc(F)cc1 ZINC000019761088 182144494 /nfs/dbraw/zinc/14/44/94/182144494.db2.gz ZFLIAIWBRLGAGA-SFHVURJKSA-N 1 1 306.425 2.637 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2C(C)(C)C)C[C@@H](C)O1 ZINC000019781651 182147883 /nfs/dbraw/zinc/14/78/83/182147883.db2.gz HEIQUICBMLVKRZ-BZUAXINKSA-N 1 1 321.461 2.833 50 0 DFAAMO CCc1ccc2[nH]c(C)c(CN3CC[NH+](CC)CC3)c(=O)c2c1 ZINC000019792181 182150172 /nfs/dbraw/zinc/15/01/72/182150172.db2.gz CXQLVXKHTYZJBL-UHFFFAOYSA-N 1 1 313.445 2.949 50 0 DFAAMO Cc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3F)C2=O)cc1 ZINC000019889482 182160592 /nfs/dbraw/zinc/16/05/92/182160592.db2.gz CNEHDRGYFFVDSZ-INIZCTEOSA-N 1 1 312.344 2.556 50 0 DFAAMO CCOc1ccccc1CN1CC[N@@H+](CC(C)C)C[C@@H]1CCO ZINC000020387700 182213835 /nfs/dbraw/zinc/21/38/35/182213835.db2.gz SNQRTWDCKYYNBU-SFHVURJKSA-N 1 1 320.477 2.610 50 0 DFAAMO CC[C@H]1CCCC[N@H+]1CCCNc1ncnc2onc(C)c21 ZINC000020575147 182235066 /nfs/dbraw/zinc/23/50/66/182235066.db2.gz XHJBOITUXYCLBE-ZDUSSCGKSA-N 1 1 303.410 2.993 50 0 DFAAMO CCC[N@@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000020807316 182247921 /nfs/dbraw/zinc/24/79/21/182247921.db2.gz FQNRHDOCDDVKOR-INIZCTEOSA-N 1 1 300.402 2.749 50 0 DFAAMO CC(C)[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020996203 182258260 /nfs/dbraw/zinc/25/82/60/182258260.db2.gz JCMPIWLFAZATLO-INIZCTEOSA-N 1 1 302.418 2.710 50 0 DFAAMO CC(C)N1CC[N@H+](Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020996203 182258262 /nfs/dbraw/zinc/25/82/62/182258262.db2.gz JCMPIWLFAZATLO-INIZCTEOSA-N 1 1 302.418 2.710 50 0 DFAAMO CC(C)N1CC[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020996203 182258264 /nfs/dbraw/zinc/25/82/64/182258264.db2.gz JCMPIWLFAZATLO-INIZCTEOSA-N 1 1 302.418 2.710 50 0 DFAAMO CC[N@@H+](CCNc1ncnc2onc(C)c21)Cc1ccccc1 ZINC000021714711 182284640 /nfs/dbraw/zinc/28/46/40/182284640.db2.gz UDHGXSZJCPQXTA-UHFFFAOYSA-N 1 1 311.389 2.860 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSCc1cccc(C)c1 ZINC000040025502 183028736 /nfs/dbraw/zinc/02/87/36/183028736.db2.gz DBGHORPJPJBCLH-MRXNPFEDSA-N 1 1 306.475 2.829 50 0 DFAAMO CCOc1cccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000039489980 183019224 /nfs/dbraw/zinc/01/92/24/183019224.db2.gz PGUNDTDDZFZPQP-GOSISDBHSA-N 1 1 320.477 2.610 50 0 DFAAMO CC(C)c1ccc(NC(=O)[C@H](C)N2CCC[N@@H+](C)CC2)cc1 ZINC000040161239 183041426 /nfs/dbraw/zinc/04/14/26/183041426.db2.gz CMXSUAGHADDHIK-HNNXBMFYSA-N 1 1 303.450 2.775 50 0 DFAAMO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040459058 183069822 /nfs/dbraw/zinc/06/98/22/183069822.db2.gz YAOMQNJTYUSQLR-AAEUAGOBSA-N 1 1 321.314 2.840 50 0 DFAAMO CC[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000041577928 183206518 /nfs/dbraw/zinc/20/65/18/183206518.db2.gz QJPZEQFYRFGDEM-OAHLLOKOSA-N 1 1 303.450 2.809 50 0 DFAAMO CC(C)c1nnc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)s1 ZINC000043697361 183381453 /nfs/dbraw/zinc/38/14/53/183381453.db2.gz HROZCMWIFYDWPF-JTQLQIEISA-N 1 1 323.422 2.679 50 0 DFAAMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1)Cc1cnn(C)c1 ZINC000055920343 184000928 /nfs/dbraw/zinc/00/09/28/184000928.db2.gz CGBUIPWGFOABMG-UHFFFAOYSA-N 1 1 300.406 2.659 50 0 DFAAMO Cc1csc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000057153318 184028771 /nfs/dbraw/zinc/02/87/71/184028771.db2.gz XEEKTGOGFDRBCR-HNNXBMFYSA-N 1 1 315.442 2.732 50 0 DFAAMO Cc1csc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000057153318 184028773 /nfs/dbraw/zinc/02/87/73/184028773.db2.gz XEEKTGOGFDRBCR-HNNXBMFYSA-N 1 1 315.442 2.732 50 0 DFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000057222145 184030109 /nfs/dbraw/zinc/03/01/09/184030109.db2.gz DBJHNOGJSPTHFZ-INIZCTEOSA-N 1 1 320.352 2.518 50 0 DFAAMO CCc1nc(C[NH2+]CCNC(=O)c2ccc(C)c(F)c2)cs1 ZINC000058217455 184089274 /nfs/dbraw/zinc/08/92/74/184089274.db2.gz KBKCTCUKOQAXEY-UHFFFAOYSA-N 1 1 321.421 2.673 50 0 DFAAMO Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H](C)OCC(C)C ZINC000058378515 184110131 /nfs/dbraw/zinc/11/01/31/184110131.db2.gz JNZFALHRVYEHBQ-LBPRGKRZSA-N 1 1 302.378 2.575 50 0 DFAAMO CC[N@@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1OC)C(C)C ZINC000058268069 184097883 /nfs/dbraw/zinc/09/78/83/184097883.db2.gz ILROQYXXKXPQTM-CYBMUJFWSA-N 1 1 308.422 2.611 50 0 DFAAMO CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058281869 184099426 /nfs/dbraw/zinc/09/94/26/184099426.db2.gz MYXDZKAFBPGUFN-OAHLLOKOSA-N 1 1 304.434 2.936 50 0 DFAAMO O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000058299465 184102583 /nfs/dbraw/zinc/10/25/83/184102583.db2.gz BMTNNKLDTQJEBT-OALUTQOASA-N 1 1 323.440 2.763 50 0 DFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cc2noc3ccccc23)C1 ZINC000058393875 184112640 /nfs/dbraw/zinc/11/26/40/184112640.db2.gz YGSULESUONTYTJ-AWEZNQCLSA-N 1 1 315.417 2.607 50 0 DFAAMO CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000058440199 184118386 /nfs/dbraw/zinc/11/83/86/184118386.db2.gz UCSRFINCKXYULC-GFCCVEGCSA-N 1 1 303.431 2.644 50 0 DFAAMO Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccccc32)[NH+](C)C)cc1 ZINC000060156156 184145185 /nfs/dbraw/zinc/14/51/85/184145185.db2.gz HIUXUFLXEASMHB-KRWDZBQOSA-N 1 1 322.412 2.904 50 0 DFAAMO C[C@H]1C[N@@H+](C)CC[C@@H]1NC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000052193692 425883931 /nfs/dbraw/zinc/88/39/31/425883931.db2.gz AGNDTFYHYGCJKN-GWCFXTLKSA-N 1 1 316.779 2.888 50 0 DFAAMO COc1ccnc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000065201926 184314673 /nfs/dbraw/zinc/31/46/73/184314673.db2.gz TVZXSTABBLYILF-INIZCTEOSA-N 1 1 312.417 2.952 50 0 DFAAMO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065410955 184339834 /nfs/dbraw/zinc/33/98/34/184339834.db2.gz PSXOXAIPUNISQS-GFCCVEGCSA-N 1 1 311.389 2.570 50 0 DFAAMO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000065410955 184339835 /nfs/dbraw/zinc/33/98/35/184339835.db2.gz PSXOXAIPUNISQS-GFCCVEGCSA-N 1 1 311.389 2.570 50 0 DFAAMO COc1cccc2c1OCC(C[N@H+](C)Cc1cnn(C)c1C)=C2 ZINC000065409389 184339841 /nfs/dbraw/zinc/33/98/41/184339841.db2.gz CGQYEZKMJRXIEC-UHFFFAOYSA-N 1 1 313.401 2.645 50 0 DFAAMO COc1cccc2c1OCC(C[N@@H+](C)Cc1cnn(C)c1C)=C2 ZINC000065409389 184339842 /nfs/dbraw/zinc/33/98/42/184339842.db2.gz CGQYEZKMJRXIEC-UHFFFAOYSA-N 1 1 313.401 2.645 50 0 DFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](Cn3ccnc3)C2)cc1 ZINC000065410108 184339945 /nfs/dbraw/zinc/33/99/45/184339945.db2.gz CIOSOXJRFRRTHO-KRWDZBQOSA-N 1 1 312.417 2.754 50 0 DFAAMO OCC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCCO2 ZINC000065457946 184348480 /nfs/dbraw/zinc/34/84/80/184348480.db2.gz YYGAGZWRHNOXRD-UHFFFAOYSA-N 1 1 305.399 2.514 50 0 DFAAMO CC(=O)Nc1cccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000065568539 184367682 /nfs/dbraw/zinc/36/76/82/184367682.db2.gz VINDRTMUVXOYNR-MJBXVCDLSA-N 1 1 317.433 2.523 50 0 DFAAMO CCN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000065605499 184371320 /nfs/dbraw/zinc/37/13/20/184371320.db2.gz WTMZFMAWSYKQON-GOEBONIOSA-N 1 1 312.417 2.707 50 0 DFAAMO CCN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000065605499 184371321 /nfs/dbraw/zinc/37/13/21/184371321.db2.gz WTMZFMAWSYKQON-GOEBONIOSA-N 1 1 312.417 2.707 50 0 DFAAMO CCN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000065605499 184371324 /nfs/dbraw/zinc/37/13/24/184371324.db2.gz WTMZFMAWSYKQON-GOEBONIOSA-N 1 1 312.417 2.707 50 0 DFAAMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000065605495 184371554 /nfs/dbraw/zinc/37/15/54/184371554.db2.gz VWMCEQIEAVGRLF-UHFFFAOYSA-N 1 1 324.424 2.791 50 0 DFAAMO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000065502542 184355941 /nfs/dbraw/zinc/35/59/41/184355941.db2.gz UVZVFKBASYZUEN-CQSZACIVSA-N 1 1 318.442 2.548 50 0 DFAAMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000065502542 184355942 /nfs/dbraw/zinc/35/59/42/184355942.db2.gz UVZVFKBASYZUEN-CQSZACIVSA-N 1 1 318.442 2.548 50 0 DFAAMO O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000065623230 184374774 /nfs/dbraw/zinc/37/47/74/184374774.db2.gz BMTNNKLDTQJEBT-RBUKOAKNSA-N 1 1 323.440 2.763 50 0 DFAAMO C[C@@H](NC(=O)CC[N@H+]1CCOC2(CCCC2)C1)c1ccccc1 ZINC000158452679 197274196 /nfs/dbraw/zinc/27/41/96/197274196.db2.gz LZYSHHLUTIOYGG-MRXNPFEDSA-N 1 1 316.445 2.899 50 0 DFAAMO CN1CCN(CC[NH2+]Cc2sc3ccccc3c2Cl)CC1 ZINC000037979295 542433634 /nfs/dbraw/zinc/43/36/34/542433634.db2.gz AUFWBVRVUJLMOV-UHFFFAOYSA-N 1 1 323.893 2.892 50 0 DFAAMO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2F)C1)c1cncs1 ZINC000067726156 542459531 /nfs/dbraw/zinc/45/95/31/542459531.db2.gz PVOOJZUBEZXTCL-GFCCVEGCSA-N 1 1 319.405 2.534 50 0 DFAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(OC)nc1 ZINC000055053537 542453086 /nfs/dbraw/zinc/45/30/86/542453086.db2.gz UERZASFFCWUDPK-OAHLLOKOSA-N 1 1 306.431 2.925 50 0 DFAAMO CCc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc1 ZINC000426574796 257245890 /nfs/dbraw/zinc/24/58/90/257245890.db2.gz DUGRLZASUXLBRS-SFHVURJKSA-N 1 1 300.450 2.741 50 0 DFAAMO CC1=CCN(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000426599026 257246089 /nfs/dbraw/zinc/24/60/89/257246089.db2.gz WNGHQNHWUGJWTJ-GOSISDBHSA-N 1 1 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ZINC000039985819 183026948 /nfs/dbraw/zinc/02/69/48/183026948.db2.gz YLHZVARDQNVXEW-WMZOPIPTSA-N 1 1 317.477 2.670 50 0 DFAAMO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccccc1 ZINC000040007763 183027086 /nfs/dbraw/zinc/02/70/86/183027086.db2.gz CKSUTLPMWXPHGQ-ZWKOTPCHSA-N 1 1 318.461 2.653 50 0 DFAAMO CN(C)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000040007781 183027402 /nfs/dbraw/zinc/02/74/02/183027402.db2.gz WIENXGLRUJXCID-LJQANCHMSA-N 1 1 323.440 2.882 50 0 DFAAMO CN(C)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000040007781 183027405 /nfs/dbraw/zinc/02/74/05/183027405.db2.gz WIENXGLRUJXCID-LJQANCHMSA-N 1 1 323.440 2.882 50 0 DFAAMO Cc1ccccc1C[NH+]1CCN(Cc2nnsc2Cl)CC1 ZINC000039990590 183027495 /nfs/dbraw/zinc/02/74/95/183027495.db2.gz JYQQPDQNJQWHDB-UHFFFAOYSA-N 1 1 322.865 2.818 50 0 DFAAMO C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000040086496 183031745 /nfs/dbraw/zinc/03/17/45/183031745.db2.gz QFTNIYNICAIPHE-SWLSCSKDSA-N 1 1 320.364 2.605 50 0 DFAAMO 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CC[C@@H](c1cccnc1)[N@H+](C)CC(=O)NCc1ccccc1F ZINC000065395792 184335082 /nfs/dbraw/zinc/33/50/82/184335082.db2.gz JFVUVPQTDBCKFY-KRWDZBQOSA-N 1 1 315.392 2.920 50 0 DFAAMO CC[C@@H](c1cccnc1)[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000065395792 184335083 /nfs/dbraw/zinc/33/50/83/184335083.db2.gz JFVUVPQTDBCKFY-KRWDZBQOSA-N 1 1 315.392 2.920 50 0 DFAAMO c1cc(C2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)n[nH]1 ZINC000065523321 184359168 /nfs/dbraw/zinc/35/91/68/184359168.db2.gz WWMFNKMXDGIZBP-UHFFFAOYSA-N 1 1 307.401 2.975 50 0 DFAAMO Cc1c[nH+]c(NCc2ccccc2-n2ccnc2)nc1N(C)C ZINC000065528130 184360145 /nfs/dbraw/zinc/36/01/45/184360145.db2.gz KVEOZGZPAVUHBK-UHFFFAOYSA-N 1 1 308.389 2.649 50 0 DFAAMO Cc1onc(-c2ccccc2)c1C(=O)NCC1=CCC[N@H+](C)C1 ZINC000065501598 184355657 /nfs/dbraw/zinc/35/56/57/184355657.db2.gz NNODEDUGEXGSLO-UHFFFAOYSA-N 1 1 311.385 2.642 50 0 DFAAMO CC(C)[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccccn1 ZINC000052218314 425883989 /nfs/dbraw/zinc/88/39/89/425883989.db2.gz XNEOQAWMDJMJPH-UHFFFAOYSA-N 1 1 323.396 2.588 50 0 DFAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc2c(c1)CCO2 ZINC000067758224 184485154 /nfs/dbraw/zinc/48/51/54/184485154.db2.gz SIGPDNZYEXRYLT-UHFFFAOYSA-N 1 1 313.401 2.762 50 0 DFAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H](C)O)CCO2 ZINC000067818361 184486800 /nfs/dbraw/zinc/48/68/00/184486800.db2.gz SBYFOKXMPAGMEL-AWEZNQCLSA-N 1 1 313.397 2.943 50 0 DFAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H](C)O)CCO2 ZINC000067818361 184486802 /nfs/dbraw/zinc/48/68/02/184486802.db2.gz SBYFOKXMPAGMEL-AWEZNQCLSA-N 1 1 313.397 2.943 50 0 DFAAMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000156649848 197130420 /nfs/dbraw/zinc/13/04/20/197130420.db2.gz PBNCDAAJHIVXRQ-HOTGVXAUSA-N 1 1 313.449 2.792 50 0 DFAAMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000156649848 197130422 /nfs/dbraw/zinc/13/04/22/197130422.db2.gz PBNCDAAJHIVXRQ-HOTGVXAUSA-N 1 1 313.449 2.792 50 0 DFAAMO Cc1ncoc1C(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012315531 542421991 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CCCCc1cn(CC2CC[NH+](Cc3nc(C)c[nH]3)CC2)nn1 ZINC000019608047 182133594 /nfs/dbraw/zinc/13/35/94/182133594.db2.gz PWPJXMWSLMTGOT-UHFFFAOYSA-N 1 1 316.453 2.564 50 0 DFAAMO COc1ccccc1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019771087 182145443 /nfs/dbraw/zinc/14/54/43/182145443.db2.gz FAYSMRIAJFOPIT-SFHVURJKSA-N 1 1 318.461 2.506 50 0 DFAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000019842288 182155743 /nfs/dbraw/zinc/15/57/43/182155743.db2.gz OCBPZWIBIDDBDH-UHFFFAOYSA-N 1 1 311.429 2.798 50 0 DFAAMO Cc1cccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000019789911 182149247 /nfs/dbraw/zinc/14/92/47/182149247.db2.gz CKJURQPLBQMSJF-UHFFFAOYSA-N 1 1 308.425 2.882 50 0 DFAAMO O[C@@H](c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019809098 182152897 /nfs/dbraw/zinc/15/28/97/182152897.db2.gz JXTCBBRMDNXMEA-OALUTQOASA-N 1 1 315.388 2.975 50 0 DFAAMO Cn1ccnc1CN1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019850556 182157209 /nfs/dbraw/zinc/15/72/09/182157209.db2.gz YCFGJUWCHRSHJE-GOSISDBHSA-N 1 1 312.461 2.559 50 0 DFAAMO CC[C@@H](C)c1ccccc1OCCOCC[NH+]1CCN(C)CC1 ZINC000020118024 182188580 /nfs/dbraw/zinc/18/85/80/182188580.db2.gz CBBACHDWDRRTII-QGZVFWFLSA-N 1 1 320.477 2.843 50 0 DFAAMO CC(C)C[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020231773 182199263 /nfs/dbraw/zinc/19/92/63/182199263.db2.gz BPVDFJMEFUTYIS-KRWDZBQOSA-N 1 1 315.461 2.693 50 0 DFAAMO CC[NH+]1CCN(CCCCOc2ccc3c(c2)CCC3)CC1 ZINC000020390046 182213656 /nfs/dbraw/zinc/21/36/56/182213656.db2.gz GBXVCEQSGVFKSI-UHFFFAOYSA-N 1 1 302.462 2.972 50 0 DFAAMO COc1ccc(CN2CC[N@@H+](CC(C)C)C[C@@H]2CCO)cc1C ZINC000020451295 182218658 /nfs/dbraw/zinc/21/86/58/182218658.db2.gz CAIBUMYYFAMSBM-SFHVURJKSA-N 1 1 320.477 2.528 50 0 DFAAMO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020512510 182226105 /nfs/dbraw/zinc/22/61/05/182226105.db2.gz AAJZGIJQXHXUCX-UHFFFAOYSA-N 1 1 323.440 2.751 50 0 DFAAMO CCCOc1ccc(OCCCCN2CC[NH+](C)CC2)cc1 ZINC000020639419 182240779 /nfs/dbraw/zinc/24/07/79/182240779.db2.gz 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/nfs/dbraw/zinc/26/38/07/182263807.db2.gz CWVNXBFCQJIOFW-HUUCEWRRSA-N 1 1 304.434 2.613 50 0 DFAAMO C[C@@H](C(=O)Nc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822272 182294381 /nfs/dbraw/zinc/29/43/81/182294381.db2.gz QGRKVRYNHSZETA-KRWDZBQOSA-N 1 1 323.440 2.831 50 0 DFAAMO COc1ccc(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000022027876 182304651 /nfs/dbraw/zinc/30/46/51/182304651.db2.gz PVRKIXNUSRYKBV-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO COc1cccc(C(=O)c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000022028131 182305571 /nfs/dbraw/zinc/30/55/71/182305571.db2.gz WJIASZDEUZRVJD-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO COc1ccc(C(=O)c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000022028134 182305976 /nfs/dbraw/zinc/30/59/76/182305976.db2.gz SWCLJAWBLUNBCT-UHFFFAOYSA-N 1 1 324.424 2.674 50 0 DFAAMO COc1ccc(C[N@H+]2CC[C@H](c3nc4cccnc4n3C)C2)cc1 ZINC000065285318 399240958 /nfs/dbraw/zinc/24/09/58/399240958.db2.gz MELCHAWFBSJZCX-HNNXBMFYSA-N 1 1 322.412 2.966 50 0 DFAAMO Cc1ncc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)n1C 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CC[N@H+](Cc1ccncc1)C[C@@H](O)COc1ccc(C)cc1 ZINC000040162328 183042049 /nfs/dbraw/zinc/04/20/49/183042049.db2.gz FEMGQMHBZWKKRY-QGZVFWFLSA-N 1 1 300.402 2.652 50 0 DFAAMO CCCCc1ccc(NC(=O)CN2CCC[N@@H+](C)CC2)cc1 ZINC000040161496 183042231 /nfs/dbraw/zinc/04/22/31/183042231.db2.gz LCYUSBJYOURRIA-UHFFFAOYSA-N 1 1 303.450 2.605 50 0 DFAAMO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2F)on1 ZINC000042182696 183239170 /nfs/dbraw/zinc/23/91/70/183239170.db2.gz MSMDBBJJIPFOIH-NXEZZACHSA-N 1 1 309.316 2.939 50 0 DFAAMO CC[N@@H+]1CCc2nc(NC(=O)/C=C\c3ccco3)sc2C1 ZINC000042136979 183234110 /nfs/dbraw/zinc/23/41/10/183234110.db2.gz FMQOMJVDFNWCEO-WAYWQWQTSA-N 1 1 303.387 2.766 50 0 DFAAMO CC[N@H+]1CCc2nc(NC(=O)/C=C\c3ccco3)sc2C1 ZINC000042136979 183234112 /nfs/dbraw/zinc/23/41/12/183234112.db2.gz FMQOMJVDFNWCEO-WAYWQWQTSA-N 1 1 303.387 2.766 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 ZINC000042359956 183257871 /nfs/dbraw/zinc/25/78/71/183257871.db2.gz CUWPNHRIUFBOEW-ZDUSSCGKSA-N 1 1 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CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)CC2 ZINC000075603658 426078806 /nfs/dbraw/zinc/07/88/06/426078806.db2.gz UESLUWJYRVQVOA-GFCCVEGCSA-N 1 1 317.437 2.792 50 0 DFAAMO COc1ccc(C[N@@H+](C)CC(C)(C)O)cc1Br ZINC000075746031 426083211 /nfs/dbraw/zinc/08/32/11/426083211.db2.gz FWHLGCGQQPBORZ-UHFFFAOYSA-N 1 1 302.212 2.660 50 0 DFAAMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)c(O)co2)c1 ZINC000075838772 426086018 /nfs/dbraw/zinc/08/60/18/426086018.db2.gz DWMLUXKNJPQIJB-MRXNPFEDSA-N 1 1 314.385 2.749 50 0 DFAAMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)c(O)co2)c1 ZINC000075838772 426086020 /nfs/dbraw/zinc/08/60/20/426086020.db2.gz DWMLUXKNJPQIJB-MRXNPFEDSA-N 1 1 314.385 2.749 50 0 DFAAMO CCOc1cc2c(cc1CN1C[C@@H]3CC[N@@H+](C)[C@@H]3C1)CCC2 ZINC000077555447 426139688 /nfs/dbraw/zinc/13/96/88/426139688.db2.gz OQYYKUUGSQDXOQ-FUHWJXTLSA-N 1 1 300.446 2.710 50 0 DFAAMO C[C@@H](Cc1ccccc1)C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000132190832 426168345 /nfs/dbraw/zinc/16/83/45/426168345.db2.gz 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426277979 /nfs/dbraw/zinc/27/79/79/426277979.db2.gz DRZAGZMASPUSFB-AWEZNQCLSA-N 1 1 314.385 2.576 50 0 DFAAMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(=O)c(O)co1 ZINC000088562197 426277982 /nfs/dbraw/zinc/27/79/82/426277982.db2.gz DRZAGZMASPUSFB-AWEZNQCLSA-N 1 1 314.385 2.576 50 0 DFAAMO CCc1cc(CN(C)C(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)on1 ZINC000092098802 426346307 /nfs/dbraw/zinc/34/63/07/426346307.db2.gz HWEMYVBPGQPDJJ-KRWDZBQOSA-N 1 1 315.417 2.807 50 0 DFAAMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000095351038 426366371 /nfs/dbraw/zinc/36/63/71/426366371.db2.gz YCWXCLKTFSAAHC-LBPRGKRZSA-N 1 1 324.421 2.771 50 0 DFAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccsc2)C1 ZINC000095355310 426366706 /nfs/dbraw/zinc/36/67/06/426366706.db2.gz IJVAGGFGENORBJ-CZUORRHYSA-N 1 1 304.459 2.971 50 0 DFAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C3CCCCC3)no1)C2 ZINC000095355499 426366726 /nfs/dbraw/zinc/36/67/26/426366726.db2.gz RHLUIGGPSBJGJI-LSDHHAIUSA-N 1 1 317.433 2.775 50 0 DFAAMO 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ZINC000252480279 427174651 /nfs/dbraw/zinc/17/46/51/427174651.db2.gz BZHADAYWQYKZKT-OAHLLOKOSA-N 1 1 304.434 2.854 50 0 DFAAMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(-c4ccncc4)no3)C2)[nH]1 ZINC000252481204 427175184 /nfs/dbraw/zinc/17/51/84/427175184.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 1 1 324.388 2.543 50 0 DFAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cc(-c4ccncc4)no3)C2)n1 ZINC000252481204 427175192 /nfs/dbraw/zinc/17/51/92/427175192.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 1 1 324.388 2.543 50 0 DFAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cc(-c4ccncc4)no3)C2)n1 ZINC000252481204 427175196 /nfs/dbraw/zinc/17/51/96/427175196.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 1 1 324.388 2.543 50 0 DFAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cc(-c4ccncc4)no3)C2)n[nH]1 ZINC000252481204 427175203 /nfs/dbraw/zinc/17/52/03/427175203.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 1 1 324.388 2.543 50 0 DFAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(-c4ccncc4)no3)C2)n[nH]1 ZINC000252481204 427175210 /nfs/dbraw/zinc/17/52/10/427175210.db2.gz CIKJMGGTDVKHOW-AWEZNQCLSA-N 1 1 324.388 2.543 50 0 DFAAMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)n1C ZINC000252498474 427183361 /nfs/dbraw/zinc/18/33/61/427183361.db2.gz RCUWLUALCWSYPT-VIFPVBQESA-N 1 1 314.311 2.873 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc2n[nH]cc2c1 ZINC000252513860 427186190 /nfs/dbraw/zinc/18/61/90/427186190.db2.gz AJIYSRKKNKTIAZ-XYPHTWIQSA-N 1 1 314.433 2.864 50 0 DFAAMO C[NH+](C)[C@@H](C(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 ZINC000252509452 427186309 /nfs/dbraw/zinc/18/63/09/427186309.db2.gz YOBWFIRAIUAINA-QGZVFWFLSA-N 1 1 316.401 2.635 50 0 DFAAMO C[NH+](C)[C@H](C(=O)NCC1=CCCCC1)c1ccc2c(c1)OCO2 ZINC000252509451 427186373 /nfs/dbraw/zinc/18/63/73/427186373.db2.gz YOBWFIRAIUAINA-KRWDZBQOSA-N 1 1 316.401 2.635 50 0 DFAAMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000252551318 427188232 /nfs/dbraw/zinc/18/82/32/427188232.db2.gz UBSNKGMNGNURPK-LBPRGKRZSA-N 1 1 303.406 2.641 50 0 DFAAMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000284772550 427196616 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CN(C(=O)Nc1ccon1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183626151 427303759 /nfs/dbraw/zinc/30/37/59/427303759.db2.gz KZLAJBQPEIZXLG-OAHLLOKOSA-N 1 1 314.389 2.803 50 0 DFAAMO Cc1cc(F)ccc1C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263523232 427506945 /nfs/dbraw/zinc/50/69/45/427506945.db2.gz RZIHZNLSVRMLTO-INIZCTEOSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263523232 427506950 /nfs/dbraw/zinc/50/69/50/427506950.db2.gz RZIHZNLSVRMLTO-INIZCTEOSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263523232 427506957 /nfs/dbraw/zinc/50/69/57/427506957.db2.gz RZIHZNLSVRMLTO-INIZCTEOSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263523232 427506960 /nfs/dbraw/zinc/50/69/60/427506960.db2.gz RZIHZNLSVRMLTO-INIZCTEOSA-N 1 1 308.397 2.505 50 0 DFAAMO CC1(C)CC[C@H](C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)O1 ZINC000184673195 427514979 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Cc1nc(CCNC(=O)C[C@@H](C)n2cc[nH+]c2C)sc1C ZINC000299777224 427769344 /nfs/dbraw/zinc/76/93/44/427769344.db2.gz KDPPTUVDIBYOAT-SNVBAGLBSA-N 1 1 306.435 2.575 50 0 DFAAMO COc1cccc([C@H]2CC[N@H+](Cc3nnc(C)s3)C2)c1OC ZINC000299796732 427770828 /nfs/dbraw/zinc/77/08/28/427770828.db2.gz PHJRLKWAPZDIFT-LBPRGKRZSA-N 1 1 319.430 2.853 50 0 DFAAMO COc1cccc([C@H]2CC[N@@H+](Cc3nnc(C)s3)C2)c1OC ZINC000299796732 427770830 /nfs/dbraw/zinc/77/08/30/427770830.db2.gz PHJRLKWAPZDIFT-LBPRGKRZSA-N 1 1 319.430 2.853 50 0 DFAAMO O=C([C@@H]1CCC[N@H+](C2CCCC2)C1)N1CCc2ncccc2C1 ZINC000095353171 275003832 /nfs/dbraw/zinc/00/38/32/275003832.db2.gz LYLAPVUYOUNLKK-MRXNPFEDSA-N 1 1 313.445 2.621 50 0 DFAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)Nc2ccccc21 ZINC000012089347 275024684 /nfs/dbraw/zinc/02/46/84/275024684.db2.gz KZPVXSGFTINIGG-IBGZPJMESA-N 1 1 307.397 2.834 50 0 DFAAMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365536733 429337494 /nfs/dbraw/zinc/33/74/94/429337494.db2.gz KBKWUYKKQMWHRR-JQFCIGGWSA-N 1 1 315.417 2.643 50 0 DFAAMO CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1cccnc1 ZINC000065575937 275771649 /nfs/dbraw/zinc/77/16/49/275771649.db2.gz UGYKXAFGSSJOPK-CYBMUJFWSA-N 1 1 301.438 2.855 50 0 DFAAMO CCN(Cc1csnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000097139504 276144532 /nfs/dbraw/zinc/14/45/32/276144532.db2.gz XIBZZQFTZWIGCK-INIZCTEOSA-N 1 1 302.447 2.635 50 0 DFAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC)nn2)C12CCCC2 ZINC000253392369 276364778 /nfs/dbraw/zinc/36/47/78/276364778.db2.gz JAUYZYFIJGSRCY-GJZGRUSLSA-N 1 1 305.422 2.655 50 0 DFAAMO C[N@H+]1CC[C@@H](Nc2cc(=O)n3ccccc3n2)[C@H]1c1ccccc1 ZINC000242047946 277138696 /nfs/dbraw/zinc/13/86/96/277138696.db2.gz VRMIPJLFNDGVJA-DNVCBOLYSA-N 1 1 320.396 2.552 50 0 DFAAMO CN1C[C@]2(CCC[N@@H+](Cc3c(F)cccc3F)CC2)OC1=O ZINC000072167131 277207213 /nfs/dbraw/zinc/20/72/13/277207213.db2.gz FJPFDFJCJZNBTQ-MRXNPFEDSA-N 1 1 310.344 2.772 50 0 DFAAMO CCOC[C@H]1CC[N@@H+](CC23CC(C2)CN3C(=O)OC(C)(C)C)C1 ZINC000583651783 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Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1ccccc1F ZINC000154053296 323214002 /nfs/dbraw/zinc/21/40/02/323214002.db2.gz JTFXQUZFTRZBFH-UHFFFAOYSA-N 1 1 322.405 2.997 50 0 DFAAMO O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1C[NH+]1CCCC1 ZINC000017242923 331573491 /nfs/dbraw/zinc/57/34/91/331573491.db2.gz DKSGSEBFXLVNPF-LCYFTJDESA-N 1 1 306.362 2.915 50 0 DFAAMO Cc1cc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)ccc1O ZINC000534663365 334322953 /nfs/dbraw/zinc/32/29/53/334322953.db2.gz LXHCLQNYXLOAIE-IBGZPJMESA-N 1 1 313.397 2.733 50 0 DFAAMO CC(C)(C)c1nc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)no1 ZINC000299749404 526871435 /nfs/dbraw/zinc/87/14/35/526871435.db2.gz KEYMMDHWKXCYAL-GFCCVEGCSA-N 1 1 315.421 2.894 50 0 DFAAMO C=CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000328596954 526916409 /nfs/dbraw/zinc/91/64/09/526916409.db2.gz BUVVOVYXARBYAC-WMLDXEAASA-N 1 1 301.434 2.635 50 0 DFAAMO C=CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000328596954 526916411 /nfs/dbraw/zinc/91/64/11/526916411.db2.gz 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/nfs/dbraw/zinc/34/92/14/398349214.db2.gz FSJPFFNCJUYQTE-RTBURBONSA-N 1 1 312.413 2.962 50 0 DFAAMO COc1cccc(CNC2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000225636590 398350177 /nfs/dbraw/zinc/35/01/77/398350177.db2.gz LLQHTVIESVTCHX-UHFFFAOYSA-N 1 1 317.458 2.906 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2C[C@@H](O)c2ccccc2F)c1 ZINC000229551462 398354687 /nfs/dbraw/zinc/35/46/87/398354687.db2.gz CTVYGCVQOSXKAO-CRAIPNDOSA-N 1 1 317.408 2.919 50 0 DFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000089997019 185275925 /nfs/dbraw/zinc/27/59/25/185275925.db2.gz WRNDJSOUXLOGDJ-UKRRQHHQSA-N 1 1 319.792 2.812 50 0 DFAAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000089997019 185275926 /nfs/dbraw/zinc/27/59/26/185275926.db2.gz WRNDJSOUXLOGDJ-UKRRQHHQSA-N 1 1 319.792 2.812 50 0 DFAAMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3csnn3)c2C1 ZINC000092406381 185316495 /nfs/dbraw/zinc/31/64/95/185316495.db2.gz GJFHAZBZVHCVMR-UHFFFAOYSA-N 1 1 302.403 2.762 50 0 DFAAMO CC(C)c1[nH+]ccn1CCCn1cc(-c2nccs2)nn1 ZINC000095388967 185351245 /nfs/dbraw/zinc/35/12/45/185351245.db2.gz QXMYFCPXZUWKSL-UHFFFAOYSA-N 1 1 302.407 2.812 50 0 DFAAMO OCc1ccnc(N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082148521 192362041 /nfs/dbraw/zinc/36/20/41/192362041.db2.gz ISTONMHTSAPNTE-INIZCTEOSA-N 1 1 312.417 2.564 50 0 DFAAMO COc1ccc([C@H](O)CNc2cc[nH+]cc2Cl)cc1OC ZINC000095408629 185356714 /nfs/dbraw/zinc/35/67/14/185356714.db2.gz OGQVLVUAMJWRGX-CYBMUJFWSA-N 1 1 308.765 2.898 50 0 DFAAMO C[N@@H+](Cc1cnc2ccccn12)C1CCN(c2ccccn2)CC1 ZINC000095413174 185357913 /nfs/dbraw/zinc/35/79/13/185357913.db2.gz NRJYXJPFQQXZEM-UHFFFAOYSA-N 1 1 321.428 2.830 50 0 DFAAMO CC(C)NC(=O)Cc1ccc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000095410393 185357186 /nfs/dbraw/zinc/35/71/86/185357186.db2.gz JCZMIJJXGXCGLB-YJBOKZPZSA-N 1 1 317.477 2.894 50 0 DFAAMO CCCS(=O)(=O)CC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000095432218 185363629 /nfs/dbraw/zinc/36/36/29/185363629.db2.gz MTPMCCABLSHAEZ-UHFFFAOYSA-N 1 1 316.492 2.635 50 0 DFAAMO CCC(CC)C[N@H+]1CCN(Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000020600495 190646788 /nfs/dbraw/zinc/64/67/88/190646788.db2.gz IYBMIRSBJPORPQ-KRWDZBQOSA-N 1 1 308.466 2.893 50 0 DFAAMO Cc1cc([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)no1 ZINC000252488423 398419668 /nfs/dbraw/zinc/41/96/68/398419668.db2.gz IRQKJNQWDPOADF-INIZCTEOSA-N 1 1 314.389 2.934 50 0 DFAAMO Cc1cc([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccnc2)no1 ZINC000252488423 398419673 /nfs/dbraw/zinc/41/96/73/398419673.db2.gz IRQKJNQWDPOADF-INIZCTEOSA-N 1 1 314.389 2.934 50 0 DFAAMO CC[NH+]1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1 ZINC000023281407 398424125 /nfs/dbraw/zinc/42/41/25/398424125.db2.gz BDXUSUXKHPMYKW-UHFFFAOYSA-N 1 1 306.793 2.584 50 0 DFAAMO O=c1c2ccncc2ncn1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584891072 398428153 /nfs/dbraw/zinc/42/81/53/398428153.db2.gz RJWVYPWYPMEFRR-MRXNPFEDSA-N 1 1 320.396 2.629 50 0 DFAAMO CCn1nccc1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000253370396 398422403 /nfs/dbraw/zinc/42/24/03/398422403.db2.gz QFTVYFGYGIYQGL-DFQSSKMNSA-N 1 1 324.472 2.903 50 0 DFAAMO CCn1nccc1CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370396 398422406 /nfs/dbraw/zinc/42/24/06/398422406.db2.gz QFTVYFGYGIYQGL-DFQSSKMNSA-N 1 1 324.472 2.903 50 0 DFAAMO COCC[N@H+]1CC[C@@H](C(=O)N2CCC3(C2)CCCCCC3)C1 ZINC000584903212 398430771 /nfs/dbraw/zinc/43/07/71/398430771.db2.gz RKRNDEULUNLVCS-MRXNPFEDSA-N 1 1 308.466 2.528 50 0 DFAAMO Cc1[nH+]ccn1CCNC(=O)c1cc2cccc(Cl)c2n1C ZINC000584901722 398430892 /nfs/dbraw/zinc/43/08/92/398430892.db2.gz WYOQRTLPAMHBLB-UHFFFAOYSA-N 1 1 316.792 2.767 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc21 ZINC000069947443 190841422 /nfs/dbraw/zinc/84/14/22/190841422.db2.gz BELNUAOCJBCTTA-MSOLQXFVSA-N 1 1 323.440 2.863 50 0 DFAAMO c1csc(-c2cc(C[N@H+]3CCC[C@@H]3Cn3cncn3)no2)c1 ZINC000069621792 398578596 /nfs/dbraw/zinc/57/85/96/398578596.db2.gz DHWBKZVGOGEWTG-CYBMUJFWSA-N 1 1 315.402 2.659 50 0 DFAAMO c1csc(-c2cc(C[N@@H+]3CCC[C@@H]3Cn3cncn3)no2)c1 ZINC000069621792 398578598 /nfs/dbraw/zinc/57/85/98/398578598.db2.gz DHWBKZVGOGEWTG-CYBMUJFWSA-N 1 1 315.402 2.659 50 0 DFAAMO Cc1cc(C)n2cc(C[N@@H+]3CCCC[C@@H]3Cn3cccn3)nc2n1 ZINC000069709314 398580980 /nfs/dbraw/zinc/58/09/80/398580980.db2.gz FPBWYLUBVKEAAL-QGZVFWFLSA-N 1 1 324.432 2.597 50 0 DFAAMO Cc1cc(C)n2cc(C[N@H+]3CCCC[C@@H]3Cn3cccn3)nc2n1 ZINC000069709314 398580983 /nfs/dbraw/zinc/58/09/83/398580983.db2.gz FPBWYLUBVKEAAL-QGZVFWFLSA-N 1 1 324.432 2.597 50 0 DFAAMO C[C@H]([C@H](C)[NH2+]Cc1nc(-c2cccs2)no1)n1cccn1 ZINC000069951353 398589886 /nfs/dbraw/zinc/58/98/86/398589886.db2.gz JLFARXNTMPBITO-WDEREUQCSA-N 1 1 303.391 2.734 50 0 DFAAMO CCc1noc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071721306 191013641 /nfs/dbraw/zinc/01/36/41/191013641.db2.gz IRGKOIPCMWDBFK-HNNXBMFYSA-N 1 1 306.454 2.574 50 0 DFAAMO CC(C)[C@@H]1C[N@@H+](CCCO)CCCN1Cc1ccc(F)cc1 ZINC000071747549 191021020 /nfs/dbraw/zinc/02/10/20/191021020.db2.gz RLBYINXSCCPVAY-SFHVURJKSA-N 1 1 308.441 2.740 50 0 DFAAMO Cc1ncccc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071746894 191021379 /nfs/dbraw/zinc/02/13/79/191021379.db2.gz UWPIBSXGAJHWRE-SFHVURJKSA-N 1 1 315.461 2.973 50 0 DFAAMO O=C(CC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)NCc1ccc(F)cc1 ZINC000072162549 191063243 /nfs/dbraw/zinc/06/32/43/191063243.db2.gz LRTDYRXMISMAGT-IYBDPMFKSA-N 1 1 302.393 2.730 50 0 DFAAMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]1Cn1cccn1 ZINC000072267534 191090227 /nfs/dbraw/zinc/09/02/27/191090227.db2.gz WJUBZGTXRBHOOL-HNNXBMFYSA-N 1 1 307.401 2.799 50 0 DFAAMO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2csc(C[NH3+])n2)C1 ZINC000237497202 186297933 /nfs/dbraw/zinc/29/79/33/186297933.db2.gz ZZFWASYGTCCHND-QMTHXVAHSA-N 1 1 319.405 2.964 50 0 DFAAMO CCCN1CC[NH2+][C@@H](Cc2cccc(-c3cccnc3)c2)C1=O ZINC000072352741 191128895 /nfs/dbraw/zinc/12/88/95/191128895.db2.gz SGZSTCCOWSUTOT-SFHVURJKSA-N 1 1 309.413 2.502 50 0 DFAAMO C[C@H](C[N@H+]1CC[C@H](N2CCOCC2)C1)c1cccc(Cl)c1 ZINC000097103856 398665286 /nfs/dbraw/zinc/66/52/86/398665286.db2.gz JVKKQTKFBFTIQE-PBHICJAKSA-N 1 1 308.853 2.850 50 0 DFAAMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000097235722 398666680 /nfs/dbraw/zinc/66/66/80/398666680.db2.gz HLMWJOKTLKSFCX-ZDUSSCGKSA-N 1 1 306.406 2.507 50 0 DFAAMO CSc1ccc(C[N@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)cc1 ZINC000072411222 191154607 /nfs/dbraw/zinc/15/46/07/191154607.db2.gz WQWZKYAHTHKTFL-MRXNPFEDSA-N 1 1 306.431 2.825 50 0 DFAAMO CCn1c[nH+]cc1Cn1ccnc1-c1cccc(OC)c1OC ZINC000072433327 191163835 /nfs/dbraw/zinc/16/38/35/191163835.db2.gz TWOFRELCEFBUSL-UHFFFAOYSA-N 1 1 312.373 2.832 50 0 DFAAMO Nc1cc(N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)ncn1 ZINC000072473340 191175731 /nfs/dbraw/zinc/17/57/31/191175731.db2.gz SDLZOFXJCMMPIX-INIZCTEOSA-N 1 1 311.433 2.568 50 0 DFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(F)cc2)C1 ZINC000072794395 191228622 /nfs/dbraw/zinc/22/86/22/191228622.db2.gz SJAXVOMRXDPIOT-CABCVRRESA-N 1 1 310.438 2.658 50 0 DFAAMO COc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000106661382 398698622 /nfs/dbraw/zinc/69/86/22/398698622.db2.gz UIPUUGUTCNCDBU-DLBZAZTESA-N 1 1 316.445 2.713 50 0 DFAAMO COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000003410843 181016602 /nfs/dbraw/zinc/01/66/02/181016602.db2.gz UKLPWYXYCCXPGO-CYBMUJFWSA-N 1 1 322.792 2.974 50 0 DFAAMO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000004203028 181084563 /nfs/dbraw/zinc/08/45/63/181084563.db2.gz WUEVXPVJRUPJLC-IYBDPMFKSA-N 1 1 302.418 2.985 50 0 DFAAMO COc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000004746141 181146906 /nfs/dbraw/zinc/14/69/06/181146906.db2.gz CNCJLNINHHPJGZ-KRWDZBQOSA-N 1 1 316.445 2.920 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](O)C1 ZINC000074325307 398740789 /nfs/dbraw/zinc/74/07/89/398740789.db2.gz NOWGKVALNFPLJH-IAGOWNOFSA-N 1 1 314.360 2.572 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](O)C1 ZINC000074325307 398740790 /nfs/dbraw/zinc/74/07/90/398740790.db2.gz NOWGKVALNFPLJH-IAGOWNOFSA-N 1 1 314.360 2.572 50 0 DFAAMO CC[N@@H+](C)C1(CNC(=O)c2cc(C(C)C)nn2C)CCCCC1 ZINC000085533919 192514157 /nfs/dbraw/zinc/51/41/57/192514157.db2.gz OGCVYQBSPPOYJQ-UHFFFAOYSA-N 1 1 320.481 2.928 50 0 DFAAMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CC1CCOCC1 ZINC000089761680 192860452 /nfs/dbraw/zinc/86/04/52/192860452.db2.gz NUGLHMQHLALIDV-UHFFFAOYSA-N 1 1 318.461 2.830 50 0 DFAAMO CC[C@@H]1CN(C(=O)c2c(F)cccc2OC)CC[N@H+]1C(C)C ZINC000091289430 193031490 /nfs/dbraw/zinc/03/14/90/193031490.db2.gz FTVLBKWATMVILN-CYBMUJFWSA-N 1 1 308.397 2.779 50 0 DFAAMO Cn1cccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091416549 193052794 /nfs/dbraw/zinc/05/27/94/193052794.db2.gz IZEBKQXYESGNSA-ZWKOTPCHSA-N 1 1 323.440 2.762 50 0 DFAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1N)C2 ZINC000091586416 193075260 /nfs/dbraw/zinc/07/52/60/193075260.db2.gz PQOQTAVIPOGHHZ-DOTOQJQBSA-N 1 1 300.450 2.526 50 0 DFAAMO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccnc1N)C2 ZINC000091586416 193075261 /nfs/dbraw/zinc/07/52/61/193075261.db2.gz 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CC[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)cn2C)CC1 ZINC000065170628 399239007 /nfs/dbraw/zinc/23/90/07/399239007.db2.gz CJOHAGDBZBIFFH-UHFFFAOYSA-N 1 1 315.392 2.609 50 0 DFAAMO COc1ccccc1CCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000022678753 182330148 /nfs/dbraw/zinc/33/01/48/182330148.db2.gz PBZFBSQUYBTGOO-OAHLLOKOSA-N 1 1 316.401 2.640 50 0 DFAAMO COc1cccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000022919739 182341248 /nfs/dbraw/zinc/34/12/48/182341248.db2.gz RFJRGWCVACRFCX-SFHVURJKSA-N 1 1 318.461 2.506 50 0 DFAAMO OCC[C@H]1C[N@H+](C2CCCCC2)CCN1Cc1ccccc1 ZINC000023372944 182358843 /nfs/dbraw/zinc/35/88/43/182358843.db2.gz KSBGIJVCPZKVBG-IBGZPJMESA-N 1 1 302.462 2.888 50 0 DFAAMO CCC[C@H](NC(=O)[C@@H](C)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000039985817 183026715 /nfs/dbraw/zinc/02/67/15/183026715.db2.gz YLHZVARDQNVXEW-AEFFLSMTSA-N 1 1 317.477 2.670 50 0 DFAAMO CN1CC[NH+](Cc2ccc(NC(=O)CC(C)(C)C)cc2)CC1 ZINC000040089754 183032811 /nfs/dbraw/zinc/03/28/11/183032811.db2.gz DGTZWOOTBPKBMX-UHFFFAOYSA-N 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C[NH+](C)[C@@H](C(=O)N1CCC(n2cccc2)CC1)c1ccccc1 ZINC000057559688 184041861 /nfs/dbraw/zinc/04/18/61/184041861.db2.gz BPRGZVQBTGXBGL-GOSISDBHSA-N 1 1 311.429 2.955 50 0 DFAAMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCc1cccs1 ZINC000057843666 184056869 /nfs/dbraw/zinc/05/68/69/184056869.db2.gz HAWSQNLZNAANAM-GFCCVEGCSA-N 1 1 324.471 2.631 50 0 DFAAMO COc1ccc(CCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058201676 184087111 /nfs/dbraw/zinc/08/71/11/184087111.db2.gz VXMKUQZINNZGRL-KRWDZBQOSA-N 1 1 318.461 2.864 50 0 DFAAMO COc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000058210664 184088708 /nfs/dbraw/zinc/08/87/08/184088708.db2.gz PXEXCHFTQZCUFF-AWEZNQCLSA-N 1 1 305.422 2.937 50 0 DFAAMO CC[NH+](CC)CC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000058290491 184101103 /nfs/dbraw/zinc/10/11/03/184101103.db2.gz PNZQYWJHFYNOCH-UHFFFAOYSA-N 1 1 314.433 2.757 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(F)cc2)C[C@H](C)O1 ZINC000058403199 184113201 /nfs/dbraw/zinc/11/32/01/184113201.db2.gz 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O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000263560706 304241687 /nfs/dbraw/zinc/24/16/87/304241687.db2.gz BQETVAPRTIQMAC-SJLPKXTDSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000263560706 304241690 /nfs/dbraw/zinc/24/16/90/304241690.db2.gz BQETVAPRTIQMAC-SJLPKXTDSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000263560706 304241692 /nfs/dbraw/zinc/24/16/92/304241692.db2.gz BQETVAPRTIQMAC-SJLPKXTDSA-N 1 1 314.429 2.834 50 0 DFAAMO COCCN1[C@H](C)C[N@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000248835284 285064268 /nfs/dbraw/zinc/06/42/68/285064268.db2.gz MEGWTMPCMXFIQJ-FGTMMUONSA-N 1 1 324.509 2.909 50 0 DFAAMO COCC[N@H+]1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000248835284 285064269 /nfs/dbraw/zinc/06/42/69/285064269.db2.gz MEGWTMPCMXFIQJ-FGTMMUONSA-N 1 1 324.509 2.909 50 0 DFAAMO COCC[N@@H+]1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1C ZINC000248835284 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O=C(NCCF)NCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000426668956 257244578 /nfs/dbraw/zinc/24/45/78/257244578.db2.gz HCHJHSCTEZZNJT-MRXNPFEDSA-N 1 1 307.413 2.700 50 0 DFAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NC1(c2cc(F)ccc2F)CC1 ZINC000426545482 257246650 /nfs/dbraw/zinc/24/66/50/257246650.db2.gz UQVMAKWTMSBVQI-JTQLQIEISA-N 1 1 305.328 2.836 50 0 DFAAMO c1c(CNc2ncccn2)nn2c1C[N@@H+](CC1=CCCCC1)CC2 ZINC000426410726 257251757 /nfs/dbraw/zinc/25/17/57/257251757.db2.gz PLYFASALMONMOB-UHFFFAOYSA-N 1 1 324.432 2.601 50 0 DFAAMO c1c(CNc2ncccn2)nn2c1C[N@H+](CC1=CCCCC1)CC2 ZINC000426410726 257251758 /nfs/dbraw/zinc/25/17/58/257251758.db2.gz PLYFASALMONMOB-UHFFFAOYSA-N 1 1 324.432 2.601 50 0 DFAAMO CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000408522976 257254868 /nfs/dbraw/zinc/25/48/68/257254868.db2.gz FTSFJRMPEXJHGS-CYBMUJFWSA-N 1 1 316.323 2.543 50 0 DFAAMO Cc1cccc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1C ZINC000408517267 257255400 /nfs/dbraw/zinc/25/54/00/257255400.db2.gz FEAJXZDWEFVIBB-OAHLLOKOSA-N 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C[N@@H+](Cc1ccsc1)Cc1cnc(NC[C@H]2CCCO2)nc1 ZINC000216045480 542874586 /nfs/dbraw/zinc/87/45/86/542874586.db2.gz QZTIGNVOKIESIZ-OAHLLOKOSA-N 1 1 318.446 2.761 50 0 DFAAMO CCCc1cc(CN(C)Cc2cnc(-c3ccccn3)nc2)n[nH]1 ZINC000216020298 542874885 /nfs/dbraw/zinc/87/48/85/542874885.db2.gz ZFTPXZQQGKEMHY-UHFFFAOYSA-N 1 1 322.416 2.846 50 0 DFAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000220296719 542879615 /nfs/dbraw/zinc/87/96/15/542879615.db2.gz OEBHZLVRHCEYPS-UHFFFAOYSA-N 1 1 313.449 2.663 50 0 DFAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000220296719 542879619 /nfs/dbraw/zinc/87/96/19/542879619.db2.gz OEBHZLVRHCEYPS-UHFFFAOYSA-N 1 1 313.449 2.663 50 0 DFAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(O)cc2Cl)[C@@H](C)C1 ZINC000221765744 542881718 /nfs/dbraw/zinc/88/17/18/542881718.db2.gz LILUTSOTPKWOJL-BLLLJJGKSA-N 1 1 324.852 2.777 50 0 DFAAMO CCOC(=O)[C@]12CC[C@@H](O)C[C@H]1CC[N@@H+](Cc1ccccc1)C2 ZINC000239038542 542911484 /nfs/dbraw/zinc/91/14/84/542911484.db2.gz 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ZINC000248699027 268166890 /nfs/dbraw/zinc/16/68/90/268166890.db2.gz DPFBVMJZTFVMAC-XJKSGUPXSA-N 1 1 308.397 2.758 50 0 DFAAMO COc1ccc(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000048018190 425872793 /nfs/dbraw/zinc/87/27/93/425872793.db2.gz UFGVLYQJEMCFFO-CQSZACIVSA-N 1 1 320.437 2.866 50 0 DFAAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccnn1Cc1cccs1 ZINC000048342046 425874515 /nfs/dbraw/zinc/87/45/15/425874515.db2.gz BQNZOYRRUKKPLA-LBPRGKRZSA-N 1 1 318.446 2.662 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccco2)sc1C ZINC000048342898 425874700 /nfs/dbraw/zinc/87/47/00/425874700.db2.gz PUBYLLGBVGLFCQ-GFCCVEGCSA-N 1 1 319.430 2.926 50 0 DFAAMO CC[NH+]1CCN(Cc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000048366536 425874899 /nfs/dbraw/zinc/87/48/99/425874899.db2.gz DVJLFBOLVNZYST-UHFFFAOYSA-N 1 1 314.433 2.998 50 0 DFAAMO CCCc1nnc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049170320 425878940 /nfs/dbraw/zinc/87/89/40/425878940.db2.gz CFABZWLXQFTXDC-ZDUSSCGKSA-N 1 1 315.373 2.740 50 0 biogenic,in-vitro DFAAMO CCOCC[N@H+]1CCC(=O)N(Cc2ccccc2)[C@H](CC)C1 ZINC000071403980 425985776 /nfs/dbraw/zinc/98/57/76/425985776.db2.gz VIFZNKAUNFGFPY-QGZVFWFLSA-N 1 1 304.434 2.536 50 0 DFAAMO CSc1cccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CC[C@H]2C3)c1 ZINC000071589418 425986676 /nfs/dbraw/zinc/98/66/76/425986676.db2.gz INGXOEMLPZAOLN-CABCVRRESA-N 1 1 304.459 2.851 50 0 DFAAMO Cc1cnn(CCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000071523769 425987441 /nfs/dbraw/zinc/98/74/41/425987441.db2.gz DRDMHUUFLRBNGN-KRWDZBQOSA-N 1 1 303.381 2.794 50 0 DFAAMO Cc1cnn(CCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000071523769 425987443 /nfs/dbraw/zinc/98/74/43/425987443.db2.gz DRDMHUUFLRBNGN-KRWDZBQOSA-N 1 1 303.381 2.794 50 0 DFAAMO Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cn1 ZINC000071830768 425993095 /nfs/dbraw/zinc/99/30/95/425993095.db2.gz VBCLEQZMFGTIMD-HLLBOEOZSA-N 1 1 301.434 2.867 50 0 DFAAMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c2ccccc2n1 ZINC000071839982 425994470 /nfs/dbraw/zinc/99/44/70/425994470.db2.gz UAVYZGXBBAOCNF-OAHLLOKOSA-N 1 1 309.413 2.854 50 0 DFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cn3ccccc3n2)C1 ZINC000071870699 425997423 /nfs/dbraw/zinc/99/74/23/425997423.db2.gz OYTJZTHLIVDCBC-CQSZACIVSA-N 1 1 323.400 2.571 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2cn3ccsc3n2)c1 ZINC000071875998 425997951 /nfs/dbraw/zinc/99/79/51/425997951.db2.gz RDBLQZSOSNGNDK-CQSZACIVSA-N 1 1 301.419 2.565 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2cn3ccsc3n2)c1 ZINC000071875998 425997954 /nfs/dbraw/zinc/99/79/54/425997954.db2.gz RDBLQZSOSNGNDK-CQSZACIVSA-N 1 1 301.419 2.565 50 0 DFAAMO O[C@@H](C[N@H+]1CCCC[C@@H]1Cn1cncn1)c1ccccc1Cl ZINC000071876379 425998073 /nfs/dbraw/zinc/99/80/73/425998073.db2.gz PPKDNZKIKQPUHJ-CJNGLKHVSA-N 1 1 320.824 2.520 50 0 DFAAMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000071893070 426000330 /nfs/dbraw/zinc/00/03/30/426000330.db2.gz LTOVEYYOOJRMKT-YJBOKZPZSA-N 1 1 309.413 2.923 50 0 DFAAMO CCS[C@H]1CCCC[N@H+](CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000071899667 426001160 /nfs/dbraw/zinc/00/11/60/426001160.db2.gz AHDLRZUILJBDJI-AWEZNQCLSA-N 1 1 324.494 2.583 50 0 DFAAMO CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000071899667 426001162 /nfs/dbraw/zinc/00/11/62/426001162.db2.gz AHDLRZUILJBDJI-AWEZNQCLSA-N 1 1 324.494 2.583 50 0 DFAAMO CC[N@H+](CC(=O)Nc1ccn(C)n1)Cc1ccc(Cl)cc1 ZINC000071894022 426001240 /nfs/dbraw/zinc/00/12/40/426001240.db2.gz RWDSRGVPXZZNRI-UHFFFAOYSA-N 1 1 306.797 2.534 50 0 DFAAMO CC[N@@H+](CC(=O)Nc1ccn(C)n1)Cc1ccc(Cl)cc1 ZINC000071894022 426001242 /nfs/dbraw/zinc/00/12/42/426001242.db2.gz RWDSRGVPXZZNRI-UHFFFAOYSA-N 1 1 306.797 2.534 50 0 DFAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000069452016 425940724 /nfs/dbraw/zinc/94/07/24/425940724.db2.gz PZXATEVZOCNINH-IYBDPMFKSA-N 1 1 316.445 2.648 50 0 DFAAMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000069486014 425941837 /nfs/dbraw/zinc/94/18/37/425941837.db2.gz YUGHMPDNYKCNDR-MRXNPFEDSA-N 1 1 314.364 2.617 50 0 DFAAMO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000069486014 425941841 /nfs/dbraw/zinc/94/18/41/425941841.db2.gz YUGHMPDNYKCNDR-MRXNPFEDSA-N 1 1 314.364 2.617 50 0 DFAAMO COc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1C ZINC000069491542 425942907 /nfs/dbraw/zinc/94/29/07/425942907.db2.gz VCTGZYVDBDUXDY-HOTGVXAUSA-N 1 1 302.418 2.702 50 0 DFAAMO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nnc(-c3ccco3)o2)c1 ZINC000069491653 425943060 /nfs/dbraw/zinc/94/30/60/425943060.db2.gz ZDXYYVBHVFJMCK-RYUDHWBXSA-N 1 1 301.350 2.574 50 0 DFAAMO C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069490875 425943074 /nfs/dbraw/zinc/94/30/74/425943074.db2.gz HOHMIPSKHRVAIE-RYQLBKOJSA-N 1 1 316.445 2.677 50 0 DFAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)n(C)n1 ZINC000069508237 425944198 /nfs/dbraw/zinc/94/41/98/425944198.db2.gz FIINJWZHSHFNEE-INIZCTEOSA-N 1 1 312.417 2.813 50 0 DFAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(C)cc2)n(C)n1 ZINC000069508237 425944200 /nfs/dbraw/zinc/94/42/00/425944200.db2.gz FIINJWZHSHFNEE-INIZCTEOSA-N 1 1 312.417 2.813 50 0 DFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)nn2C)c1 ZINC000069567731 425946960 /nfs/dbraw/zinc/94/69/60/425946960.db2.gz XBIUPKHCEXZQEG-UHFFFAOYSA-N 1 1 315.421 2.502 50 0 DFAAMO O=S(=O)(CC[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000069592160 425947398 /nfs/dbraw/zinc/94/73/98/425947398.db2.gz ZGCIAZAXRUWHST-KRWDZBQOSA-N 1 1 315.438 2.950 50 0 DFAAMO O=S(=O)(CC[N@H+]1CC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000069592160 425947401 /nfs/dbraw/zinc/94/74/01/425947401.db2.gz ZGCIAZAXRUWHST-KRWDZBQOSA-N 1 1 315.438 2.950 50 0 DFAAMO c1ncn(C[C@H]2CCC[N@@H+]2Cc2ncc(-c3ccccc3)o2)n1 ZINC000069601441 425949772 /nfs/dbraw/zinc/94/97/72/425949772.db2.gz ZXXXJHROGBLFQK-OAHLLOKOSA-N 1 1 309.373 2.598 50 0 DFAAMO c1ncn(C[C@H]2CCC[N@H+]2Cc2ncc(-c3ccccc3)o2)n1 ZINC000069601441 425949774 /nfs/dbraw/zinc/94/97/74/425949774.db2.gz ZXXXJHROGBLFQK-OAHLLOKOSA-N 1 1 309.373 2.598 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sc(C)nc1C ZINC000069598953 425949796 /nfs/dbraw/zinc/94/97/96/425949796.db2.gz FTCKHEPIPSOXQO-KGLIPLIRSA-N 1 1 307.463 2.849 50 0 DFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1OC ZINC000069656239 425951631 /nfs/dbraw/zinc/95/16/31/425951631.db2.gz JEMLRNRUGMGFQF-STQMWFEESA-N 1 1 308.447 2.846 50 0 DFAAMO c1cnn(C[C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000069769155 425956250 /nfs/dbraw/zinc/95/62/50/425956250.db2.gz UDSIZZPHKVSARF-GOSISDBHSA-N 1 1 307.401 2.733 50 0 DFAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000069769155 425956254 /nfs/dbraw/zinc/95/62/54/425956254.db2.gz UDSIZZPHKVSARF-GOSISDBHSA-N 1 1 307.401 2.733 50 0 DFAAMO C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000069840940 425960024 /nfs/dbraw/zinc/96/00/24/425960024.db2.gz RPXWKNRULVQEKC-DGCLKSJQSA-N 1 1 300.324 2.843 50 0 DFAAMO C[C@H]1C[N@@H+](CC2CCCC2)CCN1C[C@H](O)c1ccccc1 ZINC000069840450 425960294 /nfs/dbraw/zinc/96/02/94/425960294.db2.gz YRCIFVHAXMVPQE-LPHOPBHVSA-N 1 1 302.462 2.916 50 0 DFAAMO Cc1cc(N2CCC(N(C)C(=O)C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000069842636 425960558 /nfs/dbraw/zinc/96/05/58/425960558.db2.gz WFSSGQRLWUPGCX-UHFFFAOYSA-N 1 1 304.438 2.567 50 0 DFAAMO CC(C)(C)c1nc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000069848459 425961989 /nfs/dbraw/zinc/96/19/89/425961989.db2.gz OVJAMNPSXNIIKV-ZDUSSCGKSA-N 1 1 319.478 2.944 50 0 DFAAMO CC(C)(C)c1nc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cs1 ZINC000069848459 425961991 /nfs/dbraw/zinc/96/19/91/425961991.db2.gz OVJAMNPSXNIIKV-ZDUSSCGKSA-N 1 1 319.478 2.944 50 0 DFAAMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000069950766 425964475 /nfs/dbraw/zinc/96/44/75/425964475.db2.gz RXXAXIVZEORNRK-INIZCTEOSA-N 1 1 312.417 2.637 50 0 DFAAMO O=C(CC[N@H+](CCCCO)C1CC1)Nc1cccc(Cl)c1 ZINC000070009288 425964915 /nfs/dbraw/zinc/96/49/15/425964915.db2.gz PRFQWGMFBPUDMM-UHFFFAOYSA-N 1 1 310.825 2.906 50 0 DFAAMO Cc1cnn(CC[NH2+]Cc2nc(-c3ccccc3Cl)no2)c1 ZINC000070018279 425967092 /nfs/dbraw/zinc/96/70/92/425967092.db2.gz DJHCNGLVZAZKLD-UHFFFAOYSA-N 1 1 317.780 2.685 50 0 DFAAMO COC(CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)OC ZINC000161608211 426032068 /nfs/dbraw/zinc/03/20/68/426032068.db2.gz HLGHUWLTMCHVPI-QZTJIDSGSA-N 1 1 318.461 2.592 50 0 DFAAMO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccco2)o1 ZINC000072149737 426010526 /nfs/dbraw/zinc/01/05/26/426010526.db2.gz VBXMHZYWTJTZCV-LBPRGKRZSA-N 1 1 319.361 2.637 50 0 DFAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccco2)o1 ZINC000072149737 426010527 /nfs/dbraw/zinc/01/05/27/426010527.db2.gz VBXMHZYWTJTZCV-LBPRGKRZSA-N 1 1 319.361 2.637 50 0 DFAAMO Cc1ccoc1-c1nnc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000072269757 426011281 /nfs/dbraw/zinc/01/12/81/426011281.db2.gz KQSBGVQHWVGCED-NWDGAFQWSA-N 1 1 301.350 2.574 50 0 DFAAMO CCO[C@@H]1C[C@@H]([NH+]2CCN([C@H](C)C(F)(F)F)CC2)C12CCC2 ZINC000108178624 426012417 /nfs/dbraw/zinc/01/24/17/426012417.db2.gz TYPYTLPRRAWMTL-MGPQQGTHSA-N 1 1 320.399 2.903 50 0 DFAAMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc[nH]3)c2)C[C@H](C)O1 ZINC000072291712 426013041 /nfs/dbraw/zinc/01/30/41/426013041.db2.gz MONDCKSQYAWDTE-OKILXGFUSA-N 1 1 313.401 2.876 50 0 DFAAMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc[nH]3)c2)C[C@H](C)O1 ZINC000072291712 426013044 /nfs/dbraw/zinc/01/30/44/426013044.db2.gz MONDCKSQYAWDTE-OKILXGFUSA-N 1 1 313.401 2.876 50 0 DFAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000072299677 426014058 /nfs/dbraw/zinc/01/40/58/426014058.db2.gz SHLFURILVNRFDC-GFCCVEGCSA-N 1 1 309.841 2.659 50 0 DFAAMO C[C@H]1CCC[N@@H+](CCN2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072312032 426015377 /nfs/dbraw/zinc/01/53/77/426015377.db2.gz AIAHIMJENGYSDN-INIZCTEOSA-N 1 1 305.441 2.680 50 0 DFAAMO CCc1nnc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000076109938 426100748 /nfs/dbraw/zinc/10/07/48/426100748.db2.gz YOLOXRCRPRJESZ-MRXNPFEDSA-N 1 1 314.433 2.586 50 0 DFAAMO COc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cc1O ZINC000077404695 426131646 /nfs/dbraw/zinc/13/16/46/426131646.db2.gz 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Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCN2C(=O)CCC2=O)c1 ZINC000134873948 426198025 /nfs/dbraw/zinc/19/80/25/426198025.db2.gz VJWACMFKHYBRTA-INIZCTEOSA-N 1 1 300.402 2.589 50 0 DFAAMO CC(C)c1nnc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)n1C ZINC000173837768 426249307 /nfs/dbraw/zinc/24/93/07/426249307.db2.gz STIMSEHDLIWNLB-HNNXBMFYSA-N 1 1 306.454 2.862 50 0 DFAAMO CC(C)c1nnc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1C ZINC000173837768 426249311 /nfs/dbraw/zinc/24/93/11/426249311.db2.gz STIMSEHDLIWNLB-HNNXBMFYSA-N 1 1 306.454 2.862 50 0 DFAAMO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000089537073 426296050 /nfs/dbraw/zinc/29/60/50/426296050.db2.gz SVVZUVULQZKDOK-LBPRGKRZSA-N 1 1 315.442 2.895 50 0 DFAAMO Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000089537073 426296052 /nfs/dbraw/zinc/29/60/52/426296052.db2.gz SVVZUVULQZKDOK-LBPRGKRZSA-N 1 1 315.442 2.895 50 0 DFAAMO Cc1cccc(-c2cncc(C(=O)N3CCC[N@H+](C)CC3)c2)c1 ZINC000089678011 426302292 /nfs/dbraw/zinc/30/22/92/426302292.db2.gz GXJLUKJSQGPIAY-UHFFFAOYSA-N 1 1 309.413 2.835 50 0 DFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@@H]1c1ccco1 ZINC000089861156 426313692 /nfs/dbraw/zinc/31/36/92/426313692.db2.gz SVLRHUKKPXQCIH-ZWKOTPCHSA-N 1 1 324.424 2.948 50 0 DFAAMO Cc1ccccc1Cc1nnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000152292758 426336453 /nfs/dbraw/zinc/33/64/53/426336453.db2.gz YUVYATOBKLEKRA-GOSISDBHSA-N 1 1 313.401 2.581 50 0 DFAAMO Cc1ccccc1Cc1nnc(C[N@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000152292758 426336457 /nfs/dbraw/zinc/33/64/57/426336457.db2.gz YUVYATOBKLEKRA-GOSISDBHSA-N 1 1 313.401 2.581 50 0 DFAAMO CCc1noc([C@@H](C)[N@@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000089290032 426285687 /nfs/dbraw/zinc/28/56/87/426285687.db2.gz QMKLZSAAWKJBLG-OLZOCXBDSA-N 1 1 318.425 2.745 50 0 DFAAMO CCc1noc([C@@H](C)[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)n1 ZINC000089290032 426285690 /nfs/dbraw/zinc/28/56/90/426285690.db2.gz QMKLZSAAWKJBLG-OLZOCXBDSA-N 1 1 318.425 2.745 50 0 DFAAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000122858259 426398253 /nfs/dbraw/zinc/39/82/53/426398253.db2.gz DQPDWJWNBMISAC-CYBMUJFWSA-N 1 1 301.415 2.994 50 0 DFAAMO Cc1[nH]c2c(cccc2C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c1C ZINC000096164000 426403419 /nfs/dbraw/zinc/40/34/19/426403419.db2.gz NURSMWYJWZJKDX-LSDHHAIUSA-N 1 1 311.429 2.951 50 0 DFAAMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000091855781 426344733 /nfs/dbraw/zinc/34/47/33/426344733.db2.gz IWHYDJZQOGBHTM-DZGCQCFKSA-N 1 1 319.430 2.684 50 0 DFAAMO O=C(C1CC1)N1CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000121475800 426345981 /nfs/dbraw/zinc/34/59/81/426345981.db2.gz AHRUPQYVGWLAOZ-UHFFFAOYSA-N 1 1 320.408 2.539 50 0 DFAAMO Cc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)o1 ZINC000095362948 426368200 /nfs/dbraw/zinc/36/82/00/426368200.db2.gz SJWYAMNVFIXQLH-HNNXBMFYSA-N 1 1 316.401 2.752 50 0 DFAAMO Cc1cccc2[nH]c(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)nc21 ZINC000095369916 426369558 /nfs/dbraw/zinc/36/95/58/426369558.db2.gz MIZDLKUXCILAHY-AWEZNQCLSA-N 1 1 314.433 2.752 50 0 DFAAMO Cc1cccc2nc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)[nH]c21 ZINC000095369916 426369563 /nfs/dbraw/zinc/36/95/63/426369563.db2.gz MIZDLKUXCILAHY-AWEZNQCLSA-N 1 1 314.433 2.752 50 0 DFAAMO Cc1cccc2nc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)[nH]c21 ZINC000095369916 426369568 /nfs/dbraw/zinc/36/95/68/426369568.db2.gz MIZDLKUXCILAHY-AWEZNQCLSA-N 1 1 314.433 2.752 50 0 DFAAMO C[NH+](C)[C@H](C(=O)NCCCc1ccco1)c1ccc(F)cc1 ZINC000095382235 426370972 /nfs/dbraw/zinc/37/09/72/426370972.db2.gz UPNBZKOUHSVGPG-INIZCTEOSA-N 1 1 304.365 2.770 50 0 DFAAMO C[N@@H+]1CCN(C(=O)C[C@@H]2CSCCS2)c2ccccc2C1 ZINC000095433649 426372123 /nfs/dbraw/zinc/37/21/23/426372123.db2.gz DGIRVTWIEUPOAJ-CQSZACIVSA-N 1 1 322.499 2.704 50 0 DFAAMO C[N@H+]1CCN(C(=O)C[C@@H]2CSCCS2)c2ccccc2C1 ZINC000095433649 426372126 /nfs/dbraw/zinc/37/21/26/426372126.db2.gz DGIRVTWIEUPOAJ-CQSZACIVSA-N 1 1 322.499 2.704 50 0 DFAAMO CCN(C(=O)Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095940484 426375334 /nfs/dbraw/zinc/37/53/34/426375334.db2.gz RRIDMNCSXSLWNT-IBGZPJMESA-N 1 1 323.440 2.747 50 0 DFAAMO CCSc1cccc(C(=O)N2CC[NH+]([C@@H](C)COC)CC2)c1 ZINC000095978721 426381849 /nfs/dbraw/zinc/38/18/49/426381849.db2.gz UQGSVJGPHPHQJA-AWEZNQCLSA-N 1 1 322.474 2.591 50 0 DFAAMO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000095986035 426384308 /nfs/dbraw/zinc/38/43/08/426384308.db2.gz LQWVBOYCXNAZPH-MRVPVSSYSA-N 1 1 308.332 2.594 50 0 DFAAMO Cc1cc2[nH]c(C(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cc2c(C)c1 ZINC000095995452 426386435 /nfs/dbraw/zinc/38/64/35/426386435.db2.gz SDNDDLHSOPLSIE-RDTXWAMCSA-N 1 1 311.429 2.951 50 0 DFAAMO C(=C\c1ccccc1)\C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000096256135 426411492 /nfs/dbraw/zinc/41/14/92/426411492.db2.gz SSFJIIYMDRAJID-DAXSKMNVSA-N 1 1 300.446 2.744 50 0 DFAAMO C[C@H]1C[C@H]([N@@H+](C)CCn2cccn2)CCN1Cc1ccccc1 ZINC000096414941 426418382 /nfs/dbraw/zinc/41/83/82/426418382.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 1 1 312.461 2.868 50 0 DFAAMO C[C@H]1C[C@H](N(C)CCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000096414941 426418383 /nfs/dbraw/zinc/41/83/83/426418383.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 1 1 312.461 2.868 50 0 DFAAMO C[C@H]1C[C@H](N(C)CCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000096414941 426418387 /nfs/dbraw/zinc/41/83/87/426418387.db2.gz AHDHPUAGZKBXTG-PKOBYXMFSA-N 1 1 312.461 2.868 50 0 DFAAMO Cc1[nH+]cn(C[C@H](O)COc2ccccc2C(F)(F)F)c1C ZINC000097085555 426447220 /nfs/dbraw/zinc/44/72/20/426447220.db2.gz RPBNOSQXMVGSAW-LBPRGKRZSA-N 1 1 314.307 2.959 50 0 DFAAMO Cc1cccc(C)c1NCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000096426311 426421980 /nfs/dbraw/zinc/42/19/80/426421980.db2.gz FOLDEWXTHHTQLG-MRXNPFEDSA-N 1 1 303.450 2.562 50 0 DFAAMO CCn1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000096492860 426435334 /nfs/dbraw/zinc/43/53/34/426435334.db2.gz FVOPYZANWKFRFK-UHFFFAOYSA-N 1 1 309.417 2.936 50 0 DFAAMO CCn1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000096492860 426435336 /nfs/dbraw/zinc/43/53/36/426435336.db2.gz FVOPYZANWKFRFK-UHFFFAOYSA-N 1 1 309.417 2.936 50 0 DFAAMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCn4cccn4)C3)nc2c1 ZINC000096490606 426435665 /nfs/dbraw/zinc/43/56/65/426435665.db2.gz JVUNPXKJAIURON-HNNXBMFYSA-N 1 1 309.417 2.947 50 0 DFAAMO Cc1ccc2nc([C@H]3CCC[N@H+](CCn4cccn4)C3)[nH]c2c1 ZINC000096490606 426435668 /nfs/dbraw/zinc/43/56/68/426435668.db2.gz JVUNPXKJAIURON-HNNXBMFYSA-N 1 1 309.417 2.947 50 0 DFAAMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCn4cccn4)C3)[nH]c2c1 ZINC000096490606 426435670 /nfs/dbraw/zinc/43/56/70/426435670.db2.gz JVUNPXKJAIURON-HNNXBMFYSA-N 1 1 309.417 2.947 50 0 DFAAMO CC[C@H]([NH2+]CC(=O)NC1CC1)c1ccccc1Br ZINC000096492260 426435985 /nfs/dbraw/zinc/43/59/85/426435985.db2.gz OGGCIYXCNHSBQU-ZDUSSCGKSA-N 1 1 311.223 2.768 50 0 DFAAMO C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C[C@@H]1CCOC1 ZINC000096490074 426436026 /nfs/dbraw/zinc/43/60/26/426436026.db2.gz OKJDYMQBFHSGRP-ZDUSSCGKSA-N 1 1 305.809 2.994 50 0 DFAAMO CC[N@@H+](CCO)Cc1ccc(Br)c2cccnc12 ZINC000096497155 426437224 /nfs/dbraw/zinc/43/72/24/426437224.db2.gz GDTHAGGUXXREOZ-UHFFFAOYSA-N 1 1 309.207 2.812 50 0 DFAAMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000096500039 426437438 /nfs/dbraw/zinc/43/74/38/426437438.db2.gz UARPKKXSJNEBKF-LLVKDONJSA-N 1 1 303.328 2.807 50 0 DFAAMO C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2ccccc2)C1 ZINC000096495192 426437446 /nfs/dbraw/zinc/43/74/46/426437446.db2.gz PGSUBCLGGVFBQV-KRWDZBQOSA-N 1 1 311.385 2.699 50 0 DFAAMO C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2Nc2ccccc2)C1 ZINC000096495192 426437449 /nfs/dbraw/zinc/43/74/49/426437449.db2.gz PGSUBCLGGVFBQV-KRWDZBQOSA-N 1 1 311.385 2.699 50 0 DFAAMO COc1ccc([C@H](C)C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000097034005 426439888 /nfs/dbraw/zinc/43/98/88/426439888.db2.gz XQYNYKXMXBKODF-JLSDUUJJSA-N 1 1 305.418 2.679 50 0 DFAAMO COc1cccc2cc([C@H](C)[NH2+][C@H](CO)c3cnn(C)c3)oc21 ZINC000097034810 426440936 /nfs/dbraw/zinc/44/09/36/426440936.db2.gz OHRUXYDBDISSBK-SMDDNHRTSA-N 1 1 315.373 2.559 50 0 DFAAMO COC(=O)c1ccc(Cl)c(C[N@@H+](C)CC2CCOCC2)c1 ZINC000097080435 426445727 /nfs/dbraw/zinc/44/57/27/426445727.db2.gz SYPPMJWQHUCMJX-UHFFFAOYSA-N 1 1 311.809 2.985 50 0 DFAAMO CCC[C@@H](C)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000097082170 426445844 /nfs/dbraw/zinc/44/58/44/426445844.db2.gz LKTJTRFHNMGCQU-OAHLLOKOSA-N 1 1 303.450 2.951 50 0 DFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N(CCOC)Cc1ccccc1F ZINC000097117681 426451437 /nfs/dbraw/zinc/45/14/37/426451437.db2.gz XZBCNFJXIWYSCK-QGZVFWFLSA-N 1 1 322.424 2.675 50 0 DFAAMO Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000097142783 426453805 /nfs/dbraw/zinc/45/38/05/426453805.db2.gz QXBQVIHCAZGKNA-GDBMZVCRSA-N 1 1 314.433 2.871 50 0 DFAAMO CCn1cc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cn1 ZINC000097143351 426454333 /nfs/dbraw/zinc/45/43/33/426454333.db2.gz QTYMJWOCBQQWHT-CQSZACIVSA-N 1 1 304.463 2.843 50 0 DFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCSCc1ccccc1 ZINC000097172947 426456041 /nfs/dbraw/zinc/45/60/41/426456041.db2.gz JIZASWPNWXLDKM-MRXNPFEDSA-N 1 1 306.475 2.910 50 0 DFAAMO C[C@H](NC(=O)[C@H]1COCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000097228938 426460032 /nfs/dbraw/zinc/46/00/32/426460032.db2.gz LYXIHSYTHXUIAB-KBXCAEBGSA-N 1 1 310.397 2.519 50 0 DFAAMO OCC[N@H+]1CCCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000097212583 426459196 /nfs/dbraw/zinc/45/91/96/426459196.db2.gz VWCAUXFFPJHORO-UHFFFAOYSA-N 1 1 323.799 2.532 50 0 DFAAMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(-c2cccc(C)c2)nc1 ZINC000097217321 426460603 /nfs/dbraw/zinc/46/06/03/426460603.db2.gz BNKVHRSWUJPAJL-QGZVFWFLSA-N 1 1 324.428 2.553 50 0 DFAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(-c2cccc(C)c2)nc1 ZINC000097217321 426460606 /nfs/dbraw/zinc/46/06/06/426460606.db2.gz BNKVHRSWUJPAJL-QGZVFWFLSA-N 1 1 324.428 2.553 50 0 DFAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ncc[nH]1)c1ccco1 ZINC000097635160 426470877 /nfs/dbraw/zinc/47/08/77/426470877.db2.gz KUBKFWQDFALRCJ-HNNXBMFYSA-N 1 1 324.384 2.702 50 0 DFAAMO C[C@@H](c1cccc(CN(C)CCN2CCCCC2=O)c1)[NH+](C)C ZINC000097819537 426474215 /nfs/dbraw/zinc/47/42/15/426474215.db2.gz LQHRVBKLZODCNV-INIZCTEOSA-N 1 1 317.477 2.754 50 0 DFAAMO c1nc(NC[C@@H]2CCCO2)ncc1C[N@H+]1CCC2(CCCC2)C1 ZINC000215332560 426554661 /nfs/dbraw/zinc/55/46/61/426554661.db2.gz VWXJYCXPZAJEJU-INIZCTEOSA-N 1 1 316.449 2.834 50 0 DFAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000215523445 426552758 /nfs/dbraw/zinc/55/27/58/426552758.db2.gz OFBZLVWTRBQMIV-HNNXBMFYSA-N 1 1 307.401 2.725 50 0 DFAAMO CN1Cc2ccc(C[N@@H+](C)Cc3cccc4nonc43)cc2C1 ZINC000215599257 426553763 /nfs/dbraw/zinc/55/37/63/426553763.db2.gz JNFJKTIONJTURF-UHFFFAOYSA-N 1 1 308.385 2.800 50 0 DFAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000194935711 426495524 /nfs/dbraw/zinc/49/55/24/426495524.db2.gz QQJHKFBLXMKWHT-CQSZACIVSA-N 1 1 316.405 2.524 50 0 DFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](CC)c1cccc(C)n1 ZINC000219002016 426570534 /nfs/dbraw/zinc/57/05/34/426570534.db2.gz MYOJJXBHNDWYTC-CQSZACIVSA-N 1 1 300.406 2.807 50 0 DFAAMO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000186675786 426575799 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Cc1noc(-c2ccc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)nc2)n1 ZINC000095498780 185374393 /nfs/dbraw/zinc/37/43/93/185374393.db2.gz MJWFFTUISLNMQS-CYBMUJFWSA-N 1 1 310.361 2.547 50 0 DFAAMO CC(C)=CCC[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000095505620 185375227 /nfs/dbraw/zinc/37/52/27/185375227.db2.gz KACOEFWHCFMMHW-GOEBONIOSA-N 1 1 319.474 2.922 50 0 DFAAMO Cc1ccccc1[C@@H](C(=O)N1CC(c2cccnc2)C1)[NH+](C)C ZINC000095517547 185376907 /nfs/dbraw/zinc/37/69/07/185376907.db2.gz DBXKVDQPGBZHBR-SFHVURJKSA-N 1 1 309.413 2.619 50 0 DFAAMO CCN(CCC(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000076983562 185063802 /nfs/dbraw/zinc/06/38/02/185063802.db2.gz GQUFCTVKGPSLRO-LBPRGKRZSA-N 1 1 321.387 2.987 50 0 DFAAMO c1cn(Cc2ccncc2)c(C2CCN(c3cnccn3)CC2)[nH+]1 ZINC000095524336 185377839 /nfs/dbraw/zinc/37/78/39/185377839.db2.gz SHSFUHQBOSGFJC-UHFFFAOYSA-N 1 1 320.400 2.500 50 0 DFAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(OC)ccc(F)c1F ZINC000230533333 398356729 /nfs/dbraw/zinc/35/67/29/398356729.db2.gz 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185300462 /nfs/dbraw/zinc/30/04/62/185300462.db2.gz BTZSJBQSCWPDMS-MNEFBYGVSA-N 1 1 320.477 2.958 50 0 DFAAMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccccn3)c2C)n[nH]1 ZINC000090534042 185301487 /nfs/dbraw/zinc/30/14/87/185301487.db2.gz QCYWKOBFIDECJS-OCCSQVGLSA-N 1 1 324.432 2.889 50 0 DFAAMO C[N@H+]1CCC[C@@H](CNC(=O)N2CCc3ccc(Cl)cc3C2)C1 ZINC000090563069 185303822 /nfs/dbraw/zinc/30/38/22/185303822.db2.gz FULWOHICHVGIAN-ZDUSSCGKSA-N 1 1 321.852 2.750 50 0 DFAAMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000082096879 192355193 /nfs/dbraw/zinc/35/51/93/192355193.db2.gz CRVCZURMBFHYIQ-OAHLLOKOSA-N 1 1 321.465 2.867 50 0 DFAAMO C[NH+](C)[C@H](C(=O)N1C[C@@H]2CC=CC[C@@H]2C1)c1cccc(F)c1 ZINC000072164608 282233466 /nfs/dbraw/zinc/23/34/66/282233466.db2.gz KVNGYUOWBWZRPO-UXLLHSPISA-N 1 1 302.393 2.853 50 0 DFAAMO CCC[C@@H]1C[N@H+](Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O ZINC000082119964 192357945 /nfs/dbraw/zinc/35/79/45/192357945.db2.gz UUJMECGGQSSIRT-HUUCEWRRSA-N 1 1 308.447 2.687 50 0 DFAAMO CCC[C@@H]1C[N@@H+](Cc2csc(C(C)=O)c2)C[C@H]1NC(C)=O ZINC000082119964 192357947 /nfs/dbraw/zinc/35/79/47/192357947.db2.gz UUJMECGGQSSIRT-HUUCEWRRSA-N 1 1 308.447 2.687 50 0 DFAAMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000092660666 185331916 /nfs/dbraw/zinc/33/19/16/185331916.db2.gz MPUQIDHXFWRZDY-JTQLQIEISA-N 1 1 300.324 2.581 50 0 DFAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000092660666 185331917 /nfs/dbraw/zinc/33/19/17/185331917.db2.gz MPUQIDHXFWRZDY-JTQLQIEISA-N 1 1 300.324 2.581 50 0 DFAAMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C(N)=O)cs3)C2)cc1 ZINC000092783604 185340821 /nfs/dbraw/zinc/34/08/21/185340821.db2.gz VTZYMGHVMQTTDU-CYBMUJFWSA-N 1 1 316.426 2.845 50 0 DFAAMO COCC1(NC(=O)[C@H](c2cccc(F)c2)[NH+](C)C)CCCC1 ZINC000095391143 185351427 /nfs/dbraw/zinc/35/14/27/185351427.db2.gz YDPNXPXREOVPRQ-HNNXBMFYSA-N 1 1 308.397 2.504 50 0 DFAAMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000095397390 185353315 /nfs/dbraw/zinc/35/33/15/185353315.db2.gz IKIQBMSQIDGKNP-CMPLNLGQSA-N 1 1 319.380 2.786 50 0 DFAAMO COC[C@H]1CCC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000095401467 185354556 /nfs/dbraw/zinc/35/45/56/185354556.db2.gz KLBJOHLFUNLXSZ-GJZGRUSLSA-N 1 1 312.454 2.602 50 0 DFAAMO CCc1ccc2occ(C(=O)N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000328593628 529732198 /nfs/dbraw/zinc/73/21/98/529732198.db2.gz PTFPMVUTVMDEQY-UHFFFAOYSA-N 1 1 324.384 2.681 50 0 DFAAMO Cc1n[nH]cc1C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000095418709 185359466 /nfs/dbraw/zinc/35/94/66/185359466.db2.gz CTUDAXPEYPNDQO-AWEZNQCLSA-N 1 1 318.465 2.835 50 0 DFAAMO COCC[N@H+]1CC[C@@H](CNCc2ccc(F)cc2Cl)C1 ZINC000095425763 185361667 /nfs/dbraw/zinc/36/16/67/185361667.db2.gz YOHTVFJNNKLZDS-LBPRGKRZSA-N 1 1 300.805 2.537 50 0 DFAAMO C[N@@H+]1Cc2ccc(NC(=O)C[C@H]3CSCCS3)cc2C1 ZINC000095433575 185364197 /nfs/dbraw/zinc/36/41/97/185364197.db2.gz BZKQNCOOQHCISG-AWEZNQCLSA-N 1 1 308.472 2.809 50 0 DFAAMO 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/nfs/dbraw/zinc/82/98/27/425829827.db2.gz NHSAQONZNVRYCK-UHFFFAOYSA-N 1 1 324.424 2.630 50 0 DFAAMO C[N@@H+]1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000030997339 425833585 /nfs/dbraw/zinc/83/35/85/425833585.db2.gz MHMFEPYZUALXDP-GOSISDBHSA-N 1 1 312.388 2.884 50 0 DFAAMO C[N@H+]1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000030997339 425833587 /nfs/dbraw/zinc/83/35/87/425833587.db2.gz MHMFEPYZUALXDP-GOSISDBHSA-N 1 1 312.388 2.884 50 0 DFAAMO CC[C@H](CNC(=O)c1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000032445814 425838516 /nfs/dbraw/zinc/83/85/16/425838516.db2.gz UEZBOQYJPQGBIS-GOSISDBHSA-N 1 1 309.413 2.648 50 0 DFAAMO O=C(/C=C/c1ccncc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032401382 425838691 /nfs/dbraw/zinc/83/86/91/425838691.db2.gz OFIFPIQNZBZMEE-VOTSOKGWSA-N 1 1 321.424 2.659 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)Cc3cnn(C)c3)c2cc1C ZINC000032539964 425838959 /nfs/dbraw/zinc/83/89/59/425838959.db2.gz XTLRDUTXJSFPQO-UHFFFAOYSA-N 1 1 311.385 2.775 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cnn(C)c3)c2cc1C ZINC000032539964 425838960 /nfs/dbraw/zinc/83/89/60/425838960.db2.gz XTLRDUTXJSFPQO-UHFFFAOYSA-N 1 1 311.385 2.775 50 0 DFAAMO Cc1ccccc1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000032751548 425839609 /nfs/dbraw/zinc/83/96/09/425839609.db2.gz MLEPWULLOHEUMZ-AWEZNQCLSA-N 1 1 318.442 2.835 50 0 DFAAMO C[N@@H+](CCCNC(=O)c1cc2ccccn2n1)Cc1ccccc1 ZINC000032951675 425840889 /nfs/dbraw/zinc/84/08/89/425840889.db2.gz FEWVTDKYUHGZHB-UHFFFAOYSA-N 1 1 322.412 2.586 50 0 DFAAMO Nc1nc(-c2ccccc2)[nH+]c(N)c1Cc1ccc2c(c1)OCO2 ZINC000034093013 425842522 /nfs/dbraw/zinc/84/25/22/425842522.db2.gz YCVGUHLTOFHXPK-UHFFFAOYSA-N 1 1 320.352 2.628 50 0 DFAAMO COCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000036031053 425844937 /nfs/dbraw/zinc/84/49/37/425844937.db2.gz FJETZCGOJHSWPT-GOSISDBHSA-N 1 1 315.413 2.575 50 0 DFAAMO COCCC[N@H+](Cc1cc(C)ccc1C)C[C@@H](O)COC(C)C ZINC000036097384 425845253 /nfs/dbraw/zinc/84/52/53/425845253.db2.gz HCJQYJGRYZMWEO-LJQANCHMSA-N 1 1 323.477 2.928 50 0 DFAAMO C[NH2+][C@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccc(F)cc1 ZINC000036182659 425845611 /nfs/dbraw/zinc/84/56/11/425845611.db2.gz SNSBLQQIOXNVNB-AEFFLSMTSA-N 1 1 315.344 2.901 50 0 DFAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2ccc(C)nc2)c1 ZINC000037176688 425847430 /nfs/dbraw/zinc/84/74/30/425847430.db2.gz OLBHLMIRRZEBFK-UHFFFAOYSA-N 1 1 320.396 2.873 50 0 DFAAMO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000037195937 425847464 /nfs/dbraw/zinc/84/74/64/425847464.db2.gz YSQHHCMSBOQRRU-ZBFHGGJFSA-N 1 1 318.392 2.582 50 0 DFAAMO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000037195937 425847465 /nfs/dbraw/zinc/84/74/65/425847465.db2.gz YSQHHCMSBOQRRU-ZBFHGGJFSA-N 1 1 318.392 2.582 50 0 DFAAMO Cc1[nH+]ccn1C[C@H]1CCc2c(c3cc(O)ccc3n2C)C1=O ZINC000044699627 425857640 /nfs/dbraw/zinc/85/76/40/425857640.db2.gz LMMFEGYKXLPLFC-GFCCVEGCSA-N 1 1 309.369 2.834 50 0 in-vitro DFAAMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1(c2ccc(F)cc2)CC1 ZINC000046994040 425867551 /nfs/dbraw/zinc/86/75/51/425867551.db2.gz WXXQGGGOKYNAPJ-HZPDHXFCSA-N 1 1 302.393 2.600 50 0 DFAAMO O=C(NCc1ccoc1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047087251 425868013 /nfs/dbraw/zinc/86/80/13/425868013.db2.gz HPECHHHWSVPMOM-UHFFFAOYSA-N 1 1 319.430 2.759 50 0 DFAAMO O=C(COc1ccc2ccccc2c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047226765 425868730 /nfs/dbraw/zinc/86/87/30/425868730.db2.gz HMYVQFWFYVESFR-RBUKOAKNSA-N 1 1 324.424 2.962 50 0 DFAAMO Cc1ncsc1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000046786223 425866448 /nfs/dbraw/zinc/86/64/48/425866448.db2.gz XJCBUJRZZPIJJA-UHFFFAOYSA-N 1 1 321.471 2.861 50 0 DFAAMO Cc1ncsc1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000046786223 425866449 /nfs/dbraw/zinc/86/64/49/425866449.db2.gz XJCBUJRZZPIJJA-UHFFFAOYSA-N 1 1 321.471 2.861 50 0 DFAAMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000047983702 425872827 /nfs/dbraw/zinc/87/28/27/425872827.db2.gz DHJUJYPJDZKBPG-SFHVURJKSA-N 1 1 300.446 2.857 50 0 DFAAMO c1cncc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000049169696 425878937 /nfs/dbraw/zinc/87/89/37/425878937.db2.gz MUICODUPDBYTOF-HNNXBMFYSA-N 1 1 307.357 2.516 50 0 biogenic,in-vitro DFAAMO Cc1nnc([C@H](C)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)o1 ZINC000069435112 425939314 /nfs/dbraw/zinc/93/93/14/425939314.db2.gz URBDNYACKSDDTD-ZDUSSCGKSA-N 1 1 318.396 2.786 50 0 DFAAMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000069420990 425939426 /nfs/dbraw/zinc/93/94/26/425939426.db2.gz IKOFCNNCABHKJY-UHFFFAOYSA-N 1 1 313.401 2.944 50 0 DFAAMO CC(C)(C)OC(=O)[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000071241895 425983346 /nfs/dbraw/zinc/98/33/46/425983346.db2.gz DHHDTWQVSPQQQZ-LLVKDONJSA-N 1 1 300.196 2.661 50 0 DFAAMO COCC1(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)CCC1 ZINC000071416220 425985800 /nfs/dbraw/zinc/98/58/00/425985800.db2.gz NHHSWNAALOBSMK-KRWDZBQOSA-N 1 1 322.493 2.772 50 0 DFAAMO c1cc2c(c(C[NH2+]Cc3cccc4c3OCCCO4)c1)OCO2 ZINC000071820841 425992495 /nfs/dbraw/zinc/99/24/95/425992495.db2.gz FBFGVENQUFEVDG-UHFFFAOYSA-N 1 1 313.353 2.866 50 0 DFAAMO Cc1noc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C)c(C)c3)C2)n1 ZINC000071828188 425993366 /nfs/dbraw/zinc/99/33/66/425993366.db2.gz BFMZSXUYBOYLNE-IRXDYDNUSA-N 1 1 315.417 2.908 50 0 DFAAMO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000071841082 425993980 /nfs/dbraw/zinc/99/39/80/425993980.db2.gz OXPAIYYOXDYJRY-AAEUAGOBSA-N 1 1 309.360 2.515 50 0 DFAAMO C[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000071841082 425993982 /nfs/dbraw/zinc/99/39/82/425993982.db2.gz OXPAIYYOXDYJRY-AAEUAGOBSA-N 1 1 309.360 2.515 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]c2ncccc12 ZINC000071870469 425997481 /nfs/dbraw/zinc/99/74/81/425997481.db2.gz PSECXDLJRMPDSZ-CVEARBPZSA-N 1 1 312.417 2.652 50 0 DFAAMO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)NCc1ccccc1F ZINC000071892961 426000377 /nfs/dbraw/zinc/00/03/77/426000377.db2.gz NXNWGCHDTNYZSY-ZDUSSCGKSA-N 1 1 316.376 2.841 50 0 DFAAMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000071892961 426000379 /nfs/dbraw/zinc/00/03/79/426000379.db2.gz NXNWGCHDTNYZSY-ZDUSSCGKSA-N 1 1 316.376 2.841 50 0 DFAAMO O=C(c1cccs1)N1CCC[N@H+](CCc2ccccn2)CC1 ZINC000071900619 426001048 /nfs/dbraw/zinc/00/10/48/426001048.db2.gz BMWYRYPMUAMDKQ-UHFFFAOYSA-N 1 1 315.442 2.534 50 0 DFAAMO O=C(c1cccs1)N1CCC[N@@H+](CCc2ccccn2)CC1 ZINC000071900619 426001051 /nfs/dbraw/zinc/00/10/51/426001051.db2.gz BMWYRYPMUAMDKQ-UHFFFAOYSA-N 1 1 315.442 2.534 50 0 DFAAMO Cc1ccc(C[C@H](NC(=O)C[N@H+](C)C2CC2)c2ccccn2)cc1 ZINC000071909218 426003453 /nfs/dbraw/zinc/00/34/53/426003453.db2.gz IXTYEHZZCYQJHU-IBGZPJMESA-N 1 1 323.440 2.884 50 0 DFAAMO COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1C ZINC000069491541 425943043 /nfs/dbraw/zinc/94/30/43/425943043.db2.gz VCTGZYVDBDUXDY-JKSUJKDBSA-N 1 1 302.418 2.702 50 0 DFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000069528988 425945409 /nfs/dbraw/zinc/94/54/09/425945409.db2.gz NNAZCPAYBQNHCJ-GJZGRUSLSA-N 1 1 316.401 2.504 50 0 DFAAMO CCOc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1 ZINC000069528671 425945706 /nfs/dbraw/zinc/94/57/06/425945706.db2.gz ZMSPUUJIVVWXDO-ZWKOTPCHSA-N 1 1 316.445 2.713 50 0 DFAAMO CCc1nc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)s1 ZINC000069520960 425945900 /nfs/dbraw/zinc/94/59/00/425945900.db2.gz CMPGMJRYFFCFGC-CHWSQXEVSA-N 1 1 307.463 2.713 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cnc(C)s2)n1 ZINC000069601166 425948558 /nfs/dbraw/zinc/94/85/58/425948558.db2.gz GISVAKSRBZNFNX-AWEZNQCLSA-N 1 1 305.451 2.715 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cnc(C)s2)n1 ZINC000069601168 425949304 /nfs/dbraw/zinc/94/93/04/425949304.db2.gz GISVAKSRBZNFNX-CQSZACIVSA-N 1 1 305.451 2.715 50 0 DFAAMO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nc(-c3ccco3)no2)c1 ZINC000069597515 425949336 /nfs/dbraw/zinc/94/93/36/425949336.db2.gz RRCVJFDAJMMTFJ-NWDGAFQWSA-N 1 1 301.350 2.574 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1COC ZINC000069709369 425954784 /nfs/dbraw/zinc/95/47/84/425954784.db2.gz KSCZKLNCUCCTNE-MSOLQXFVSA-N 1 1 316.445 2.922 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCOc2ccccc2F)n1 ZINC000069779152 425957468 /nfs/dbraw/zinc/95/74/68/425957468.db2.gz NMECQYVFRFWUKO-OAHLLOKOSA-N 1 1 318.396 2.577 50 0 DFAAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1c(C)noc1C ZINC000069894953 425962904 /nfs/dbraw/zinc/96/29/04/425962904.db2.gz BZQKWSNQWVSTNP-IRXDYDNUSA-N 1 1 319.449 2.699 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000069924850 425963033 /nfs/dbraw/zinc/96/30/33/425963033.db2.gz DPXLJWPYHCOMTD-IRXDYDNUSA-N 1 1 303.381 2.529 50 0 DFAAMO O[C@@H](C[N@H+]1CCCC[C@@H]1Cn1cccn1)c1cccc(F)c1 ZINC000069946541 425964137 /nfs/dbraw/zinc/96/41/37/425964137.db2.gz HZJNURYUUVBBSF-SJORKVTESA-N 1 1 303.381 2.610 50 0 DFAAMO CCCc1nc(C)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000069979105 425965540 /nfs/dbraw/zinc/96/55/40/425965540.db2.gz AWOWOHZOOUJUST-GFCCVEGCSA-N 1 1 307.463 2.618 50 0 DFAAMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000106768634 425973978 /nfs/dbraw/zinc/97/39/78/425973978.db2.gz YUNFVKFIAZWSES-IUODEOHRSA-N 1 1 313.401 2.736 50 0 DFAAMO C[N@H+](C[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000106910892 425979597 /nfs/dbraw/zinc/97/95/97/425979597.db2.gz DASNGMQSNRKCSO-WFASDCNBSA-N 1 1 308.809 2.556 50 0 DFAAMO C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000106910892 425979599 /nfs/dbraw/zinc/97/95/99/425979599.db2.gz DASNGMQSNRKCSO-WFASDCNBSA-N 1 1 308.809 2.556 50 0 DFAAMO CCOC(=O)CCn1c2ccc(C)cc2c2c1CC[N@@H+](C)C2 ZINC000075284296 426068572 /nfs/dbraw/zinc/06/85/72/426068572.db2.gz VVHZPLOPVVBHFH-UHFFFAOYSA-N 1 1 300.402 2.891 50 0 DFAAMO CCOC(=O)CCn1c2ccc(C)cc2c2c1CC[N@H+](C)C2 ZINC000075284296 426068573 /nfs/dbraw/zinc/06/85/73/426068573.db2.gz VVHZPLOPVVBHFH-UHFFFAOYSA-N 1 1 300.402 2.891 50 0 DFAAMO COc1ccc([C@@H]2CC[N@@H+](CCOC[C@@H]3CCCO3)C2)cc1 ZINC000072294848 426012662 /nfs/dbraw/zinc/01/26/62/426012662.db2.gz FBHTZAZWOPNWEA-AEFFLSMTSA-N 1 1 305.418 2.680 50 0 DFAAMO CC(C)(C)C1CCC(C[N@H+]2C[C@@H](O)[C@H](N3CCCC3)C2)CC1 ZINC000072308559 426013671 /nfs/dbraw/zinc/01/36/71/426013671.db2.gz FHBWMANKXRPRIO-OPQOLIRYSA-N 1 1 308.510 2.980 50 0 DFAAMO CN(Cc1noc(C2CC2)n1)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000072300006 426014386 /nfs/dbraw/zinc/01/43/86/426014386.db2.gz WNBAPSVOSGVWJW-HNNXBMFYSA-N 1 1 304.438 2.643 50 0 DFAAMO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@H](C)c1nc2ccccc2o1 ZINC000108463172 426017033 /nfs/dbraw/zinc/01/70/33/426017033.db2.gz INVQZCLFRWYPHO-VXGBXAGGSA-N 1 1 320.414 2.869 50 0 DFAAMO COC(=O)C[C@@H]1CSCC[N@H+]1[C@H](C)c1nc2ccccc2o1 ZINC000108463172 426017034 /nfs/dbraw/zinc/01/70/34/426017034.db2.gz INVQZCLFRWYPHO-VXGBXAGGSA-N 1 1 320.414 2.869 50 0 DFAAMO Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000072600418 426018080 /nfs/dbraw/zinc/01/80/80/426018080.db2.gz BKTJNKWZUGIUHX-MRXNPFEDSA-N 1 1 318.417 2.551 50 0 DFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCc1ccco1 ZINC000077299050 426126619 /nfs/dbraw/zinc/12/66/19/426126619.db2.gz 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C[NH+](C)CC(=O)Nc1cccc(CNc2ccc(Cl)cn2)c1 ZINC000089314178 426285927 /nfs/dbraw/zinc/28/59/27/426285927.db2.gz ARZBYMSVANSMJN-UHFFFAOYSA-N 1 1 318.808 2.847 50 0 DFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000122858428 426398375 /nfs/dbraw/zinc/39/83/75/426398375.db2.gz DQPDWJWNBMISAC-ZDUSSCGKSA-N 1 1 301.415 2.994 50 0 DFAAMO CCc1[nH+]ccn1CCc1nc(C)nn1Cc1cccc(C)c1 ZINC000096133764 426400407 /nfs/dbraw/zinc/40/04/07/426400407.db2.gz VOHUXHDGNJGJBF-UHFFFAOYSA-N 1 1 309.417 2.945 50 0 DFAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(F)ccc2C)C1 ZINC000096141876 426402586 /nfs/dbraw/zinc/40/25/86/426402586.db2.gz WFUVGASIWOSQMB-CQSZACIVSA-N 1 1 323.412 2.614 50 0 DFAAMO Cc1nc(N)cc(N2CCC[C@H](c3nc4ccccc4n3C)C2)[nH+]1 ZINC000091997519 426346706 /nfs/dbraw/zinc/34/67/06/426346706.db2.gz XRPOKJCYOIILNP-ZDUSSCGKSA-N 1 1 322.416 2.638 50 0 DFAAMO COC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095363717 426367895 /nfs/dbraw/zinc/36/78/95/426367895.db2.gz 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O[C@H](C[C@@H]1CCCCC[N@H+]1CC1OCCO1)c1cccs1 ZINC000095992517 426385364 /nfs/dbraw/zinc/38/53/64/426385364.db2.gz CPIUJSASUPWAER-UONOGXRCSA-N 1 1 311.447 2.789 50 0 DFAAMO CSc1cc(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccn1 ZINC000095995745 426386560 /nfs/dbraw/zinc/38/65/60/426386560.db2.gz KNPPYMHGDLRRMB-TZMCWYRMSA-N 1 1 320.462 2.752 50 0 DFAAMO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[NH+](C2CC2)CC1 ZINC000096404739 426415277 /nfs/dbraw/zinc/41/52/77/426415277.db2.gz AFFBCRQVVOJCRE-JKSUJKDBSA-N 1 1 304.821 2.750 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)NC1CC1 ZINC000096407772 426415704 /nfs/dbraw/zinc/41/57/04/426415704.db2.gz VMTXXJDVSRNAKY-MRXNPFEDSA-N 1 1 317.433 2.551 50 0 DFAAMO C[C@@H]1SCC[N@H+](CCCS(C)(=O)=O)[C@H]1c1ccccc1 ZINC000096411364 426417568 /nfs/dbraw/zinc/41/75/68/426417568.db2.gz QNRAOTQBNGAPJA-DZGCQCFKSA-N 1 1 313.488 2.600 50 0 DFAAMO C[C@@H]1SCC[N@@H+](CCCS(C)(=O)=O)[C@H]1c1ccccc1 ZINC000096411364 426417571 /nfs/dbraw/zinc/41/75/71/426417571.db2.gz 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426435906 /nfs/dbraw/zinc/43/59/06/426435906.db2.gz NGKXREXYRATPOK-AWEZNQCLSA-N 1 1 300.406 2.770 50 0 DFAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccc(CN2CCCC2=O)cc1 ZINC000097037300 426441773 /nfs/dbraw/zinc/44/17/73/426441773.db2.gz VTXATRQPTBVQMA-VKJFTORMSA-N 1 1 315.461 2.950 50 0 DFAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1ccn(CCc2ccncc2)n1 ZINC000097037879 426442182 /nfs/dbraw/zinc/44/21/82/426442182.db2.gz BWHCDUUZWNLVQU-VYDXJSESSA-N 1 1 313.449 2.661 50 0 DFAAMO CCOCC[N@@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000097051163 426443643 /nfs/dbraw/zinc/44/36/43/426443643.db2.gz OKDCUZDHZSKLID-UHFFFAOYSA-N 1 1 312.211 2.565 50 0 DFAAMO CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2C)C[C@@H]1CC ZINC000097098808 426448855 /nfs/dbraw/zinc/44/88/55/426448855.db2.gz NMJVIQMWRPTXOQ-INIZCTEOSA-N 1 1 319.449 2.960 50 0 DFAAMO COc1ccccc1/C=C\C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000097107635 426449888 /nfs/dbraw/zinc/44/98/88/426449888.db2.gz ZPGWJRZRLHZQAV-SNGWPZLWSA-N 1 1 316.445 2.947 50 0 DFAAMO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200732 426457139 /nfs/dbraw/zinc/45/71/39/426457139.db2.gz NUSLWGFFJYVQOW-CHWSQXEVSA-N 1 1 313.405 2.837 50 0 DFAAMO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200732 426457144 /nfs/dbraw/zinc/45/71/44/426457144.db2.gz NUSLWGFFJYVQOW-CHWSQXEVSA-N 1 1 313.405 2.837 50 0 DFAAMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2cccc(C)c2)nc1 ZINC000097217323 426460707 /nfs/dbraw/zinc/46/07/07/426460707.db2.gz BNKVHRSWUJPAJL-KRWDZBQOSA-N 1 1 324.428 2.553 50 0 DFAAMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(-c2cccc(C)c2)nc1 ZINC000097217323 426460710 /nfs/dbraw/zinc/46/07/10/426460710.db2.gz BNKVHRSWUJPAJL-KRWDZBQOSA-N 1 1 324.428 2.553 50 0 DFAAMO Cc1c2cc(C)ccc2oc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097294704 426462477 /nfs/dbraw/zinc/46/24/77/426462477.db2.gz HPXODDSXWAQXPK-MRXNPFEDSA-N 1 1 313.445 2.529 50 0 DFAAMO Cc1nscc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000097378868 426465171 /nfs/dbraw/zinc/46/51/71/426465171.db2.gz 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ZINC000257186967 427307445 /nfs/dbraw/zinc/30/74/45/427307445.db2.gz LBQFQUUCMLSACG-HNNXBMFYSA-N 1 1 313.405 2.727 50 0 DFAAMO CCC(CC)NC(=O)[C@]1(CCO)CC[N@@H+](Cc2ccccc2)C1 ZINC000257190430 427307585 /nfs/dbraw/zinc/30/75/85/427307585.db2.gz MNKQIBUVGFQCNT-IBGZPJMESA-N 1 1 318.461 2.566 50 0 DFAAMO CC(C)[C@@H]1c2nccn2CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000257186968 427307980 /nfs/dbraw/zinc/30/79/80/427307980.db2.gz LBQFQUUCMLSACG-OAHLLOKOSA-N 1 1 313.405 2.727 50 0 DFAAMO CCC(CC)n1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)n1 ZINC000331642532 427465565 /nfs/dbraw/zinc/46/55/65/427465565.db2.gz QVDAMANEXHXHKB-RCCFBDPRSA-N 1 1 321.465 2.606 50 0 DFAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Nc1cnns1 ZINC000299770154 427768084 /nfs/dbraw/zinc/76/80/84/427768084.db2.gz POMSDPAGHVQCBO-LBPRGKRZSA-N 1 1 320.422 2.520 50 0 DFAAMO CC(=O)c1[nH]c(C)c(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1C ZINC000299772156 427768357 /nfs/dbraw/zinc/76/83/57/427768357.db2.gz ZCORRRDXWVCZGP-OAHLLOKOSA-N 1 1 319.449 2.542 50 0 DFAAMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408473817 428668667 /nfs/dbraw/zinc/66/86/67/428668667.db2.gz KIXCLGUJTMZPRB-ZWNOBZJWSA-N 1 1 300.324 2.567 50 0 DFAAMO O=C1CC[C@@H](C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCN1 ZINC000294951012 275017711 /nfs/dbraw/zinc/01/77/11/275017711.db2.gz MLFRPFNABIDQFK-GFCCVEGCSA-N 1 1 315.392 2.581 50 0 DFAAMO O=C1CC[C@H](C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CCN1 ZINC000294951015 275018043 /nfs/dbraw/zinc/01/80/43/275018043.db2.gz MLFRPFNABIDQFK-LBPRGKRZSA-N 1 1 315.392 2.581 50 0 DFAAMO O[C@@H](C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000029657891 275051773 /nfs/dbraw/zinc/05/17/73/275051773.db2.gz BJDQQUHGDHZYTC-ZWKOTPCHSA-N 1 1 301.361 2.933 50 0 DFAAMO O[C@@H](C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000029657891 275051775 /nfs/dbraw/zinc/05/17/75/275051775.db2.gz BJDQQUHGDHZYTC-ZWKOTPCHSA-N 1 1 301.361 2.933 50 0 DFAAMO CC(=O)N1CC[NH+]([C@@H]2CCCOc3c(C)cc(C)cc32)CC1 ZINC000097165316 275462029 /nfs/dbraw/zinc/46/20/29/275462029.db2.gz HXTKEHFORVWCJX-QGZVFWFLSA-N 1 1 302.418 2.681 50 0 DFAAMO CCN1CCN([C@H]2CC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348305 276201739 /nfs/dbraw/zinc/20/17/39/276201739.db2.gz OYWBNEVZRPDTGU-QUCCMNQESA-N 1 1 315.505 2.720 50 0 DFAAMO CCN1CCN([C@H]2CC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000108348305 276201740 /nfs/dbraw/zinc/20/17/40/276201740.db2.gz OYWBNEVZRPDTGU-QUCCMNQESA-N 1 1 315.505 2.720 50 0 DFAAMO C[N@@H+]1CCC[C@@H]1CN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000244724448 277062268 /nfs/dbraw/zinc/06/22/68/277062268.db2.gz MUHUFBMYEONBOM-OAHLLOKOSA-N 1 1 316.424 2.976 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CN1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000244724448 277062270 /nfs/dbraw/zinc/06/22/70/277062270.db2.gz MUHUFBMYEONBOM-OAHLLOKOSA-N 1 1 316.424 2.976 50 0 DFAAMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1cnoc1C1CC1 ZINC000583619724 430411527 /nfs/dbraw/zinc/41/15/27/430411527.db2.gz UXOQIIYMVNPCRU-OWCLPIDISA-N 1 1 306.406 2.568 50 0 DFAAMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cnoc1C1CC1 ZINC000583619724 430411529 /nfs/dbraw/zinc/41/15/29/430411529.db2.gz UXOQIIYMVNPCRU-OWCLPIDISA-N 1 1 306.406 2.568 50 0 DFAAMO COc1ccc([C@@](C)(O)[C@H]2CCC[N@H+]2Cc2ccon2)cc1 ZINC000583615536 430410863 /nfs/dbraw/zinc/41/08/63/430410863.db2.gz FTILHLKQUDQVQL-IAGOWNOFSA-N 1 1 302.374 2.555 50 0 DFAAMO COc1c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c(C)nn1C ZINC000058421569 277788303 /nfs/dbraw/zinc/78/83/03/277788303.db2.gz PCBXTSXGLOSNGK-OAHLLOKOSA-N 1 1 301.390 2.659 50 0 DFAAMO Cc1ccc([C@H](C)CC[NH+]2CCN(C(=O)c3ccc[nH]3)CC2)o1 ZINC000097495258 280973054 /nfs/dbraw/zinc/97/30/54/280973054.db2.gz UPLLWUHWRZWRCB-CQSZACIVSA-N 1 1 315.417 2.868 50 0 DFAAMO C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)[C@@H](c2ccccc2)C1 ZINC000071834969 290022291 /nfs/dbraw/zinc/02/22/91/290022291.db2.gz JRWPXOXPHIMCJD-GVDBMIGSSA-N 1 1 310.397 2.898 50 0 DFAAMO C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)[C@@H](c2ccccc2)C1 ZINC000071834969 290022292 /nfs/dbraw/zinc/02/22/92/290022292.db2.gz JRWPXOXPHIMCJD-GVDBMIGSSA-N 1 1 310.397 2.898 50 0 DFAAMO COCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000030029714 293301151 /nfs/dbraw/zinc/30/11/51/293301151.db2.gz ASAFUPBHBWAJAD-IBGZPJMESA-N 1 1 324.424 2.962 50 0 DFAAMO COCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000030029714 293301154 /nfs/dbraw/zinc/30/11/54/293301154.db2.gz ASAFUPBHBWAJAD-IBGZPJMESA-N 1 1 324.424 2.962 50 0 DFAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCn2cccn2)c1 ZINC000040556365 295183323 /nfs/dbraw/zinc/18/33/23/295183323.db2.gz NDGYNCSYFYLDRM-MRXNPFEDSA-N 1 1 301.390 2.737 50 0 DFAAMO Cc1cc(CN(C)C(=O)[C@H](c2cccc(C)c2)[NH+](C)C)on1 ZINC000095362726 301270391 /nfs/dbraw/zinc/27/03/91/301270391.db2.gz JHOVTTIPRZEARR-INIZCTEOSA-N 1 1 301.390 2.553 50 0 DFAAMO Cc1ccccc1[C@H](C(=O)N(C)CC1(CO)CCCC1)[NH+](C)C ZINC000095357764 302170191 /nfs/dbraw/zinc/17/01/91/302170191.db2.gz FLFXHANNXGRJES-QGZVFWFLSA-N 1 1 318.461 2.609 50 0 DFAAMO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(C)cn2)cc1 ZINC000097099074 323208865 /nfs/dbraw/zinc/20/88/65/323208865.db2.gz VFUVXJDZPBYMMP-HNNXBMFYSA-N 1 1 318.442 2.650 50 0 DFAAMO CC(=O)Nc1nc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)cs1 ZINC000097374668 323209379 /nfs/dbraw/zinc/20/93/79/323209379.db2.gz DNGHYVIICUKTTL-YGRLFVJLSA-N 1 1 317.414 2.756 50 0 DFAAMO COc1ccccc1COC1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000097235555 323209505 /nfs/dbraw/zinc/20/95/05/323209505.db2.gz KIXWNHWXEQJDOC-UHFFFAOYSA-N 1 1 301.390 2.600 50 0 DFAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NC1(CO)CCCCC1 ZINC000534659680 334315524 /nfs/dbraw/zinc/31/55/24/334315524.db2.gz FNDLQQPRDTZJEX-DLBZAZTESA-N 1 1 322.493 2.843 50 0 DFAAMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000245869958 523275800 /nfs/dbraw/zinc/27/58/00/523275800.db2.gz RFFNCVVYNRELJF-SPEDKVCISA-N 1 1 315.438 2.514 50 0 DFAAMO C=CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000328596952 526916094 /nfs/dbraw/zinc/91/60/94/526916094.db2.gz BUVVOVYXARBYAC-PBHICJAKSA-N 1 1 301.434 2.635 50 0 DFAAMO C=CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000328596952 526916095 /nfs/dbraw/zinc/91/60/95/526916095.db2.gz BUVVOVYXARBYAC-PBHICJAKSA-N 1 1 301.434 2.635 50 0 DFAAMO O=c1cc(C[N@@H+]2CCCC[C@@H]2CCO)[nH]c2ccc(F)cc12 ZINC000091269808 527569430 /nfs/dbraw/zinc/56/94/30/527569430.db2.gz GVDDMEIJMJYMOT-CQSZACIVSA-N 1 1 304.365 2.816 50 0 DFAAMO CC[C@@H](C(=O)[O-])[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000262369763 535438577 /nfs/dbraw/zinc/43/85/77/535438577.db2.gz JTYFXWSGULTKKQ-PKOBYXMFSA-N 1 1 316.445 2.838 50 0 DFAAMO CC[C@@H](C(=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262369763 535438579 /nfs/dbraw/zinc/43/85/79/535438579.db2.gz JTYFXWSGULTKKQ-PKOBYXMFSA-N 1 1 316.445 2.838 50 0 DFAAMO CC[C@@H](C(=O)[O-])[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262369763 535438583 /nfs/dbraw/zinc/43/85/83/535438583.db2.gz JTYFXWSGULTKKQ-PKOBYXMFSA-N 1 1 316.445 2.838 50 0 DFAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](c1ncccc1C)C1CC1 ZINC000299755737 563804355 /nfs/dbraw/zinc/80/43/55/563804355.db2.gz CQFHIZPKUXRZHL-SFHVURJKSA-N 1 1 312.417 2.807 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2ccc(F)cc21 ZINC000095473537 185373079 /nfs/dbraw/zinc/37/30/79/185373079.db2.gz LCWIHKFBVGTIOQ-MRXNPFEDSA-N 1 1 317.408 2.771 50 0 DFAAMO Cc1nn(C)c2nc(N(C)C[C@H]3CC[N@H+](CC(C)C)C3)sc12 ZINC000095511188 185376328 /nfs/dbraw/zinc/37/63/28/185376328.db2.gz BBDHSMZMBDSCHF-CYBMUJFWSA-N 1 1 321.494 2.752 50 0 DFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(SC)c1 ZINC000095519952 185377233 /nfs/dbraw/zinc/37/72/33/185377233.db2.gz IRFRRVGWBVFYNG-GJZGRUSLSA-N 1 1 323.462 2.638 50 0 DFAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1N(C)C ZINC000095530618 185378667 /nfs/dbraw/zinc/37/86/67/185378667.db2.gz FWDQKNCFQBPVFR-RBUKOAKNSA-N 1 1 312.461 2.890 50 0 DFAAMO CC(C)[C@@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@H]1[NH+](C)C ZINC000095530618 185378668 /nfs/dbraw/zinc/37/86/68/185378668.db2.gz FWDQKNCFQBPVFR-RBUKOAKNSA-N 1 1 312.461 2.890 50 0 DFAAMO CCCn1cc(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)cn1 ZINC000095530616 185378760 /nfs/dbraw/zinc/37/87/60/185378760.db2.gz LXSFYAJUFPSPPV-QGZVFWFLSA-N 1 1 314.433 2.521 50 0 DFAAMO COCCc1noc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000079097517 185158058 /nfs/dbraw/zinc/15/80/58/185158058.db2.gz PUAXNUHKYVXCKG-GOSISDBHSA-N 1 1 315.417 2.812 50 0 DFAAMO COCCc1noc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000079097517 185158059 /nfs/dbraw/zinc/15/80/59/185158059.db2.gz PUAXNUHKYVXCKG-GOSISDBHSA-N 1 1 315.417 2.812 50 0 DFAAMO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(C(C)=O)cn2C)C1 ZINC000082157800 185174229 /nfs/dbraw/zinc/17/42/29/185174229.db2.gz UZGSFIBUWVTPMT-HNNXBMFYSA-N 1 1 314.433 2.893 50 0 DFAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)cn2C)C1 ZINC000082157800 185174230 /nfs/dbraw/zinc/17/42/30/185174230.db2.gz UZGSFIBUWVTPMT-HNNXBMFYSA-N 1 1 314.433 2.893 50 0 DFAAMO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2csc(C(C)C)n2)cnn1C ZINC000328635746 231271849 /nfs/dbraw/zinc/27/18/49/231271849.db2.gz VALRDSJGPCURNR-LSDHHAIUSA-N 1 1 320.462 2.928 50 0 DFAAMO O=C1C[C@@]2(CC[N@@H+](Cc3cccc(-c4ccccc4)c3)C2)C(=O)N1 ZINC000082147185 192361457 /nfs/dbraw/zinc/36/14/57/192361457.db2.gz KBPBLALEXROREA-HXUWFJFHSA-N 1 1 320.392 2.592 50 0 DFAAMO Cc1[nH+]ccn1-c1cncc(NC[C@@H]2CCOc3ccccc32)n1 ZINC000092896775 185348160 /nfs/dbraw/zinc/34/81/60/185348160.db2.gz OYCWYXUFYQCEBT-AWEZNQCLSA-N 1 1 321.384 2.949 50 0 DFAAMO COc1ccc(CNc2cncc(-n3cc[nH+]c3C)n2)cc1C ZINC000092893998 185348327 /nfs/dbraw/zinc/34/83/27/185348327.db2.gz PTJZGAYEHQIYKI-UHFFFAOYSA-N 1 1 309.373 2.900 50 0 DFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)NCc1ccccc1F)C2 ZINC000095390234 185351520 /nfs/dbraw/zinc/35/15/20/185351520.db2.gz HSOGHLQQEYUBHW-GDBMZVCRSA-N 1 1 319.424 2.842 50 0 DFAAMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)=O)cc1 ZINC000095404819 185355482 /nfs/dbraw/zinc/35/54/82/185355482.db2.gz RHMCVHVUOZDOGI-IAGOWNOFSA-N 1 1 315.417 2.980 50 0 DFAAMO COc1ccc([C@@H](O)CNc2cc[nH+]cc2Cl)cc1OC ZINC000095408630 185356708 /nfs/dbraw/zinc/35/67/08/185356708.db2.gz OGQVLVUAMJWRGX-ZDUSSCGKSA-N 1 1 308.765 2.898 50 0 DFAAMO Cn1cc([C@]2(C)CN(c3cc[nH+]c4ccsc43)CCO2)cn1 ZINC000095415167 185358744 /nfs/dbraw/zinc/35/87/44/185358744.db2.gz XVDRFVCMDIPJBY-INIZCTEOSA-N 1 1 314.414 2.782 50 0 DFAAMO C[C@@H](C(=O)NCc1ccn(C2CCCC2)n1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095429625 185362659 /nfs/dbraw/zinc/36/26/59/185362659.db2.gz XHFHZYACUKSCTD-ZNMIVQPWSA-N 1 1 318.465 2.876 50 0 DFAAMO OC[C@@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccco1 ZINC000095437397 185365502 /nfs/dbraw/zinc/36/55/02/185365502.db2.gz JQTMJNFXFSLTNK-LLVKDONJSA-N 1 1 301.264 2.843 50 0 DFAAMO O=C(CCC[N@H+]1CCN2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000019362229 398407601 /nfs/dbraw/zinc/40/76/01/398407601.db2.gz GXQBFUWUDAEZEL-KRWDZBQOSA-N 1 1 304.409 2.959 50 0 DFAAMO O=C(CCCN1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000019362229 398407608 /nfs/dbraw/zinc/40/76/08/398407608.db2.gz GXQBFUWUDAEZEL-KRWDZBQOSA-N 1 1 304.409 2.959 50 0 DFAAMO O=C(CCCN1CC[N@H+]2CCCC[C@H]2C1)c1ccc(F)cc1 ZINC000019362229 398407613 /nfs/dbraw/zinc/40/76/13/398407613.db2.gz GXQBFUWUDAEZEL-KRWDZBQOSA-N 1 1 304.409 2.959 50 0 DFAAMO CC(C)Oc1cccc(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000095460594 185370814 /nfs/dbraw/zinc/37/08/14/185370814.db2.gz LPOFGIDQPBEBBC-UHFFFAOYSA-N 1 1 312.417 2.586 50 0 DFAAMO COCc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000097013553 185397141 /nfs/dbraw/zinc/39/71/41/185397141.db2.gz GEKOUMQFWJPIPZ-OCCSQVGLSA-N 1 1 303.406 2.580 50 0 DFAAMO Cc1[nH]c(C)c(-c2ccc(C(=O)N[C@@H](C)Cn3cccn3)cc2)[nH+]1 ZINC000584884239 398426041 /nfs/dbraw/zinc/42/60/41/398426041.db2.gz JZBAGMBVOAEKKX-LBPRGKRZSA-N 1 1 323.400 2.709 50 0 DFAAMO CCOC(=O)N1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000584893330 398428022 /nfs/dbraw/zinc/42/80/22/398428022.db2.gz WSGZLXAUGTXQFH-KRWDZBQOSA-N 1 1 318.417 2.761 50 0 DFAAMO Cc1[nH]ccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000253369882 398421863 /nfs/dbraw/zinc/42/18/63/398421863.db2.gz JJEKECXQHKCQAY-RYQLBKOJSA-N 1 1 309.413 2.698 50 0 DFAAMO Cc1[nH]ccc1C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000253369883 398421890 /nfs/dbraw/zinc/42/18/90/398421890.db2.gz JJEKECXQHKCQAY-SZMVWBNQSA-N 1 1 309.413 2.698 50 0 DFAAMO CC(=O)N1CCC[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000584896586 398429269 /nfs/dbraw/zinc/42/92/69/398429269.db2.gz UHKIEZYAGPSOQS-CYBMUJFWSA-N 1 1 303.793 2.733 50 0 DFAAMO Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)C(C)C)CC2)c(C)c1 ZINC000040158377 190665653 /nfs/dbraw/zinc/66/56/53/190665653.db2.gz ZGUMAAMKHPUKRD-UHFFFAOYSA-N 1 1 324.490 2.797 50 0 DFAAMO Cc1csc(N2CC[N@H+](CCc3ccccn3)C[C@H]2C)n1 ZINC000106844324 185455471 /nfs/dbraw/zinc/45/54/71/185455471.db2.gz JXPDCPHTPQOBFK-CQSZACIVSA-N 1 1 302.447 2.600 50 0 DFAAMO C[N@H+]1CCCC[C@H]1CCn1nc(-c2ccc(F)cc2)oc1=O ZINC000295031987 530052800 /nfs/dbraw/zinc/05/28/00/530052800.db2.gz DFFRTJAJKASXKX-AWEZNQCLSA-N 1 1 305.353 2.517 50 0 DFAAMO O=C(COc1ccc2ccccc2c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229724716 201847177 /nfs/dbraw/zinc/84/71/77/201847177.db2.gz HMYVQFWFYVESFR-MOPGFXCFSA-N 1 1 324.424 2.962 50 0 DFAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc(F)cc1 ZINC000069667111 190804251 /nfs/dbraw/zinc/80/42/51/190804251.db2.gz SKJBAIORVIUKJL-QGZVFWFLSA-N 1 1 312.388 2.931 50 0 DFAAMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1cccc2cc[nH]c21 ZINC000328624470 398565997 /nfs/dbraw/zinc/56/59/97/398565997.db2.gz JYHZCFIKQVYGST-ZDUSSCGKSA-N 1 1 308.385 2.699 50 0 DFAAMO CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C)cc1)C1CC1 ZINC000328623631 398566494 /nfs/dbraw/zinc/56/64/94/398566494.db2.gz CABNXGGOCJTOCW-RBUKOAKNSA-N 1 1 316.445 2.504 50 0 DFAAMO CN(Cc1ncccn1)[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000328633841 398568372 /nfs/dbraw/zinc/56/83/72/398568372.db2.gz MIKQEGAGCQEJGM-OAHLLOKOSA-N 1 1 316.836 2.836 50 0 DFAAMO Cc1ccc(-c2cc(C[N@H+]3CCC[C@H]3Cn3cncn3)on2)cc1 ZINC000069601004 398577056 /nfs/dbraw/zinc/57/70/56/398577056.db2.gz YTQRYXZLKBZLJE-INIZCTEOSA-N 1 1 323.400 2.906 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2c(C)noc2C)n1 ZINC000069621429 398578622 /nfs/dbraw/zinc/57/86/22/398578622.db2.gz VOKLCYSWPPMGGP-OAHLLOKOSA-N 1 1 303.410 2.554 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cn3cccc(C)c3n2)n1 ZINC000069653094 398579247 /nfs/dbraw/zinc/57/92/47/398579247.db2.gz NHJAVIDXVRADCX-KRWDZBQOSA-N 1 1 324.432 2.516 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cn3cccc(C)c3n2)n1 ZINC000069653094 398579252 /nfs/dbraw/zinc/57/92/52/398579252.db2.gz NHJAVIDXVRADCX-KRWDZBQOSA-N 1 1 324.432 2.516 50 0 DFAAMO Cc1ccccc1-c1noc(C[NH2+][C@H](C)[C@H](C)n2cccn2)n1 ZINC000069973156 398591507 /nfs/dbraw/zinc/59/15/07/398591507.db2.gz HOJAJJJBYRNJLI-KGLIPLIRSA-N 1 1 311.389 2.981 50 0 DFAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1nccc(C2CCCC2)n1 ZINC000071749623 191022825 /nfs/dbraw/zinc/02/28/25/191022825.db2.gz FHYGAWBRESAJAR-HOTGVXAUSA-N 1 1 304.438 2.654 50 0 DFAAMO c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000092892977 398605297 /nfs/dbraw/zinc/60/52/97/398605297.db2.gz SGBCEAKRRVKZMD-CYBMUJFWSA-N 1 1 302.447 2.804 50 0 DFAAMO COc1ccc2cc([C@H]3C[N@H+](CCCO)CCO3)ccc2c1 ZINC000071763972 191027284 /nfs/dbraw/zinc/02/72/84/191027284.db2.gz IWSNCHWVQVUNDJ-GOSISDBHSA-N 1 1 301.386 2.604 50 0 DFAAMO COc1ccc2cc([C@H]3C[N@@H+](CCCO)CCO3)ccc2c1 ZINC000071763972 191027287 /nfs/dbraw/zinc/02/72/87/191027287.db2.gz IWSNCHWVQVUNDJ-GOSISDBHSA-N 1 1 301.386 2.604 50 0 DFAAMO c1ccc(-c2ncc(C[NH+]3CC(c4cccnc4)C3)cn2)nc1 ZINC000072151509 191056077 /nfs/dbraw/zinc/05/60/77/191056077.db2.gz TVAQXGNSZUKIEO-UHFFFAOYSA-N 1 1 303.369 2.533 50 0 DFAAMO CN1Cc2ccccc2C[C@@H]1C[N@@H+](C)Cc1cccc2nonc21 ZINC000072152484 191058180 /nfs/dbraw/zinc/05/81/80/191058180.db2.gz ZFUBDJUEGPBFGI-QGZVFWFLSA-N 1 1 322.412 2.711 50 0 DFAAMO CN(Cc1cccc2nonc21)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000072152484 191058183 /nfs/dbraw/zinc/05/81/83/191058183.db2.gz ZFUBDJUEGPBFGI-QGZVFWFLSA-N 1 1 322.412 2.711 50 0 DFAAMO CN(Cc1cccc2nonc21)C[C@H]1Cc2ccccc2C[N@H+]1C ZINC000072152484 191058186 /nfs/dbraw/zinc/05/81/86/191058186.db2.gz ZFUBDJUEGPBFGI-QGZVFWFLSA-N 1 1 322.412 2.711 50 0 DFAAMO CCn1ccnc1C[N@@H+]1CCCC[C@@H]1Cn1nc(C)cc1C ZINC000071875344 398612901 /nfs/dbraw/zinc/61/29/01/398612901.db2.gz GANUYBVFIFVIFJ-MRXNPFEDSA-N 1 1 301.438 2.771 50 0 DFAAMO CCn1ccnc1C[N@H+]1CCCC[C@@H]1Cn1nc(C)cc1C ZINC000071875344 398612904 /nfs/dbraw/zinc/61/29/04/398612904.db2.gz GANUYBVFIFVIFJ-MRXNPFEDSA-N 1 1 301.438 2.771 50 0 DFAAMO CSc1nccc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)n1 ZINC000072173907 191069471 /nfs/dbraw/zinc/06/94/71/191069471.db2.gz LTOSUICIYXWBIV-QGZVFWFLSA-N 1 1 318.490 2.901 50 0 DFAAMO NC(=O)C[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072174595 191071507 /nfs/dbraw/zinc/07/15/07/191071507.db2.gz YMIVIPKWUYFIES-CYBMUJFWSA-N 1 1 314.351 2.835 50 0 DFAAMO Cc1cccc(NC2CCN(C(=O)Nc3ccccn3)CC2)[nH+]1 ZINC000072289005 191107068 /nfs/dbraw/zinc/10/70/68/191107068.db2.gz JPLPTBXHXIHRFY-UHFFFAOYSA-N 1 1 311.389 2.893 50 0 DFAAMO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000188037718 186247207 /nfs/dbraw/zinc/24/72/07/186247207.db2.gz ULQKLXBNQFWOSW-CVEARBPZSA-N 1 1 320.452 2.847 50 0 DFAAMO C=Cn1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000225583680 186279807 /nfs/dbraw/zinc/27/98/07/186279807.db2.gz ZYXGOHOCXPAYHK-SLFFLAALSA-N 1 1 322.456 2.984 50 0 DFAAMO C=Cn1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000225583680 186279808 /nfs/dbraw/zinc/27/98/08/186279808.db2.gz ZYXGOHOCXPAYHK-SLFFLAALSA-N 1 1 322.456 2.984 50 0 DFAAMO c1ccc(C2(c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000225599553 186282303 /nfs/dbraw/zinc/28/23/03/186282303.db2.gz MPQZJXDGTGLSPJ-GJZGRUSLSA-N 1 1 311.385 2.685 50 0 DFAAMO c1ccc(C2(c3nc([C@@H]4C[N@H+]5CCC[C@H]5CO4)no3)CC2)cc1 ZINC000225599553 186282305 /nfs/dbraw/zinc/28/23/05/186282305.db2.gz MPQZJXDGTGLSPJ-GJZGRUSLSA-N 1 1 311.385 2.685 50 0 DFAAMO FC(F)Oc1cccc([C@H]2C[N@@H+](C[C@H]3CCOC3)CCO2)c1 ZINC000253369572 186301210 /nfs/dbraw/zinc/30/12/10/186301210.db2.gz FCWTURLUCOCMHD-IUODEOHRSA-N 1 1 313.344 2.698 50 0 DFAAMO CCCN1CC[NH2+][C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000072352738 191129580 /nfs/dbraw/zinc/12/95/80/191129580.db2.gz QDEITGLPSRHAAR-GOSISDBHSA-N 1 1 309.413 2.502 50 0 DFAAMO COc1ccc(C)[nH+]c1NCc1cn(C)nc1-c1ccncc1 ZINC000097231800 398666158 /nfs/dbraw/zinc/66/61/58/398666158.db2.gz WRGRZDNDKHPHNJ-UHFFFAOYSA-N 1 1 309.373 2.806 50 0 DFAAMO COc1ccc([C@@H](C)C[N@H+]2CCc3ncnc(OC)c3C2)cc1 ZINC000097230846 398666166 /nfs/dbraw/zinc/66/61/66/398666166.db2.gz YCXAPHVMIVIFMP-ZDUSSCGKSA-N 1 1 313.401 2.656 50 0 DFAAMO C[N@H+]1CCc2nc(-c3ccco3)nc(NCc3ccco3)c2CC1 ZINC000072409948 191153370 /nfs/dbraw/zinc/15/33/70/191153370.db2.gz JCLOIIBTBWUVNN-UHFFFAOYSA-N 1 1 324.384 2.972 50 0 DFAAMO Cn1cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000072426518 191161188 /nfs/dbraw/zinc/16/11/88/191161188.db2.gz JJTXIKGNILRGSY-UHFFFAOYSA-N 1 1 312.461 2.561 50 0 DFAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2C ZINC000072432103 191163979 /nfs/dbraw/zinc/16/39/79/191163979.db2.gz AZDQHAAVQLMRDK-GXTWGEPZSA-N 1 1 315.392 2.668 50 0 DFAAMO CN1C[C@@]2(CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)OC1=O ZINC000072431666 191165120 /nfs/dbraw/zinc/16/51/20/191165120.db2.gz AEKVHQPPZGJSEI-LJQANCHMSA-N 1 1 323.396 2.775 50 0 DFAAMO Cc1nn2c(nc(C)cc2N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000072440890 191166894 /nfs/dbraw/zinc/16/68/94/191166894.db2.gz FZTGZHOTIWYENI-ZDUSSCGKSA-N 1 1 313.449 2.718 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cccc(CCC(C)(C)O)c1 ZINC000072473797 191176749 /nfs/dbraw/zinc/17/67/49/191176749.db2.gz YHVFKCCCOBHIIS-OAHLLOKOSA-N 1 1 318.461 2.556 50 0 DFAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](SC)C2)cc1 ZINC000072776730 191227618 /nfs/dbraw/zinc/22/76/18/191227618.db2.gz IVYMVUKFUIPAIF-ZFWWWQNUSA-N 1 1 308.447 2.850 50 0 DFAAMO CS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)NCc2sccc2C)C1 ZINC000072794440 191229923 /nfs/dbraw/zinc/22/99/23/191229923.db2.gz VZUKCOMKRUIQCN-OLZOCXBDSA-N 1 1 312.504 2.889 50 0 DFAAMO COc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC000106661475 398698664 /nfs/dbraw/zinc/69/86/64/398698664.db2.gz VBNBGAQWOCCAHC-JKSUJKDBSA-N 1 1 306.381 2.533 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H](C)c2nc(C3CC3)no2)c1 ZINC000106843636 398700184 /nfs/dbraw/zinc/70/01/84/398700184.db2.gz CQGFGTAKQMXEPB-OCCSQVGLSA-N 1 1 301.394 2.678 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2[C@H](C)c2nc(C3CC3)no2)c1 ZINC000106843636 398700187 /nfs/dbraw/zinc/70/01/87/398700187.db2.gz CQGFGTAKQMXEPB-OCCSQVGLSA-N 1 1 301.394 2.678 50 0 DFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2[C@H](C)c2nc(C3CC3)no2)n1 ZINC000106784768 398700313 /nfs/dbraw/zinc/70/03/13/398700313.db2.gz BSOWFQLYDMQOEF-HIFRSBDPSA-N 1 1 315.421 2.986 50 0 DFAAMO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2[C@H](C)c2nc(C3CC3)no2)n1 ZINC000106784768 398700319 /nfs/dbraw/zinc/70/03/19/398700319.db2.gz BSOWFQLYDMQOEF-HIFRSBDPSA-N 1 1 315.421 2.986 50 0 DFAAMO C[N@@H+](Cc1ccc(C(N)=O)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677090 198369666 /nfs/dbraw/zinc/36/96/66/198369666.db2.gz NQDCNKVJGXDKRF-IBGZPJMESA-N 1 1 323.440 2.886 50 0 DFAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)OCO2 ZINC000004029290 181064508 /nfs/dbraw/zinc/06/45/08/181064508.db2.gz DUKKSZLDZDKYFL-LSDHHAIUSA-N 1 1 317.385 2.837 50 0 DFAAMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000004066749 181068510 /nfs/dbraw/zinc/06/85/10/181068510.db2.gz HVJFIVRSQAMHFO-XJKSGUPXSA-N 1 1 316.401 2.592 50 0 DFAAMO CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)Cc2cccc(F)c2)C1 ZINC000110663837 398723201 /nfs/dbraw/zinc/72/32/01/398723201.db2.gz MLHKPVRWKPUVMB-GDBMZVCRSA-N 1 1 321.440 2.740 50 0 DFAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000004744973 181146707 /nfs/dbraw/zinc/14/67/07/181146707.db2.gz TZCPSFGXFAZVCX-QGZVFWFLSA-N 1 1 316.445 2.920 50 0 DFAAMO COc1ccc(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1OC ZINC000004751295 181148536 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C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cncn2C)C1 ZINC000237673312 202325761 /nfs/dbraw/zinc/32/57/61/202325761.db2.gz BAUNCDIGCVRQCQ-INIZCTEOSA-N 1 1 312.461 2.942 50 0 DFAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2cncn2C)C1 ZINC000237673312 202325763 /nfs/dbraw/zinc/32/57/63/202325763.db2.gz BAUNCDIGCVRQCQ-INIZCTEOSA-N 1 1 312.461 2.942 50 0 DFAAMO Cc1nn(C)c2ncc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cc12 ZINC000237844507 202369529 /nfs/dbraw/zinc/36/95/29/202369529.db2.gz FNWWQNNUXNTQQE-UHFFFAOYSA-N 1 1 315.465 2.676 50 0 DFAAMO Cc1nnc(C[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)n1C ZINC000152947594 398934394 /nfs/dbraw/zinc/93/43/94/398934394.db2.gz GQXSJDORFWXSHM-BCLQGDPASA-N 1 1 306.454 2.683 50 0 DFAAMO Cc1nnc(C[N@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)n1C ZINC000152947594 398934398 /nfs/dbraw/zinc/93/43/98/398934398.db2.gz GQXSJDORFWXSHM-BCLQGDPASA-N 1 1 306.454 2.683 50 0 DFAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195309533 201376686 /nfs/dbraw/zinc/37/66/86/201376686.db2.gz ABHPDWYRQCWYMD-OAHLLOKOSA-N 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CCc1nc(N)nc(N2CCC(CC[NH+]3CCCC3)CC2)c1C ZINC000092066921 193152043 /nfs/dbraw/zinc/15/20/43/193152043.db2.gz WPVKFUCCURVVTE-UHFFFAOYSA-N 1 1 317.481 2.632 50 0 DFAAMO O=C(N[C@@H]1CCCc2occc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000107496884 284045978 /nfs/dbraw/zinc/04/59/78/284045978.db2.gz URLVFVKAIMWIHO-DZGCQCFKSA-N 1 1 303.406 2.537 50 0 DFAAMO Cc1cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)ccc1-n1cncn1 ZINC000092967091 193189658 /nfs/dbraw/zinc/18/96/58/193189658.db2.gz ZTTZJPLIENBDEM-QGZVFWFLSA-N 1 1 322.416 2.609 50 0 DFAAMO COc1ccc(OC(F)F)c(C[N@@H+]2CCC[C@](C)(CO)C2)c1 ZINC000093340846 193236307 /nfs/dbraw/zinc/23/63/07/193236307.db2.gz ACDOCDZLVKGBHZ-INIZCTEOSA-N 1 1 315.360 2.891 50 0 DFAAMO COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@](C)(CO)C2)c1 ZINC000093340846 193236308 /nfs/dbraw/zinc/23/63/08/193236308.db2.gz ACDOCDZLVKGBHZ-INIZCTEOSA-N 1 1 315.360 2.891 50 0 DFAAMO C[NH+](C)[C@@H](C(=O)NCCCc1ccco1)c1ccc(F)cc1 ZINC000095382236 193439609 /nfs/dbraw/zinc/43/96/09/193439609.db2.gz 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/nfs/dbraw/zinc/12/90/77/182129077.db2.gz MZIBWCINUDQGOC-VSEHZYKHSA-N 1 1 306.425 2.661 50 0 DFAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000019720855 182138676 /nfs/dbraw/zinc/13/86/76/182138676.db2.gz RMVNWIIINUJLMQ-UHFFFAOYSA-N 1 1 324.424 2.806 50 0 DFAAMO COc1ccccc1C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000019790148 182149327 /nfs/dbraw/zinc/14/93/27/182149327.db2.gz LGIDWOYMQJONKO-UHFFFAOYSA-N 1 1 324.424 2.962 50 0 DFAAMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019791906 182150127 /nfs/dbraw/zinc/15/01/27/182150127.db2.gz ASPMJMKSZKZCSE-UHFFFAOYSA-N 1 1 305.809 2.650 50 0 DFAAMO C[NH+]1CCN(CCC(=O)Nc2ccc(C3CCCC3)cc2)CC1 ZINC000019802260 182151906 /nfs/dbraw/zinc/15/19/06/182151906.db2.gz HRDQRVASYNPKCY-UHFFFAOYSA-N 1 1 315.461 2.920 50 0 DFAAMO COc1ccccc1CN1CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000019836249 182155165 /nfs/dbraw/zinc/15/51/65/182155165.db2.gz BPYLWORRXFTQDA-KRWDZBQOSA-N 1 1 320.477 2.610 50 0 DFAAMO O=C1O[C@@H](N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000019849617 182157521 /nfs/dbraw/zinc/15/75/21/182157521.db2.gz RCGVBOHDRUDCFW-GOSISDBHSA-N 1 1 308.381 2.673 50 0 DFAAMO Cc1ccc(C[NH+]2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000019855152 182157524 /nfs/dbraw/zinc/15/75/24/182157524.db2.gz NCACPXFOGWSZLC-UHFFFAOYSA-N 1 1 324.424 2.718 50 0 DFAAMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020064404 182184344 /nfs/dbraw/zinc/18/43/44/182184344.db2.gz YXKKWTXWGRKCHX-UHFFFAOYSA-N 1 1 323.440 2.751 50 0 DFAAMO Cc1ccc(OCCC[NH+]2CCOCC2)c(Br)c1 ZINC000020118532 182189365 /nfs/dbraw/zinc/18/93/65/182189365.db2.gz MKPJULFVGKKVGN-UHFFFAOYSA-N 1 1 314.223 2.859 50 0 DFAAMO CC[NH+]1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000020233296 182199652 /nfs/dbraw/zinc/19/96/52/182199652.db2.gz MKNQAVLQSPCVCB-UHFFFAOYSA-N 1 1 304.434 2.527 50 0 DFAAMO CCCOc1c(Cl)cc(CNCC[NH+](C)C)cc1OC ZINC000020406705 182215206 /nfs/dbraw/zinc/21/52/06/182215206.db2.gz LUXUCUHVOWDLPS-UHFFFAOYSA-N 1 1 300.830 2.789 50 0 DFAAMO COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000064488434 399225811 /nfs/dbraw/zinc/22/58/11/399225811.db2.gz JGTLQOLDDRHSNA-JKSUJKDBSA-N 1 1 324.852 2.528 50 0 DFAAMO Cc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000021057533 182264168 /nfs/dbraw/zinc/26/41/68/182264168.db2.gz ORYUIOJQQRPEGB-BETUJISGSA-N 1 1 308.422 2.514 50 0 DFAAMO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000021057533 182264169 /nfs/dbraw/zinc/26/41/69/182264169.db2.gz ORYUIOJQQRPEGB-BETUJISGSA-N 1 1 308.422 2.514 50 0 DFAAMO Cc1ccccc1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020998792 182259062 /nfs/dbraw/zinc/25/90/62/182259062.db2.gz HVLQAWNCFLQCHO-IBGZPJMESA-N 1 1 302.462 2.806 50 0 DFAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(C)=O)ccc21 ZINC000021523911 182278560 /nfs/dbraw/zinc/27/85/60/182278560.db2.gz LXQDHTOPDVZCRD-UHFFFAOYSA-N 1 1 311.389 2.958 50 0 DFAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccccc2)C[C@@H](C)O1 ZINC000022460814 182322116 /nfs/dbraw/zinc/32/21/16/182322116.db2.gz VMHCJTNEPCAVMQ-ZIAGYGMSSA-N 1 1 305.422 2.696 50 0 DFAAMO OCC[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1C1CCCC1 ZINC000023360160 182358003 /nfs/dbraw/zinc/35/80/03/182358003.db2.gz RRIBEWWYVDDHOG-QGZVFWFLSA-N 1 1 324.415 2.776 50 0 DFAAMO OCC[C@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1C1CCCC1 ZINC000023360163 182358711 /nfs/dbraw/zinc/35/87/11/182358711.db2.gz RRIBEWWYVDDHOG-KRWDZBQOSA-N 1 1 324.415 2.776 50 0 DFAAMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023674252 182365944 /nfs/dbraw/zinc/36/59/44/182365944.db2.gz BRIKBFADDPUZLJ-UHFFFAOYSA-N 1 1 324.424 2.757 50 0 DFAAMO Cc1ccc(-c2cc(C[N@@H+](CC(N)=O)CC(C)C)on2)cc1 ZINC000029719707 182575077 /nfs/dbraw/zinc/57/50/77/182575077.db2.gz UXUNELZCSKZTIT-UHFFFAOYSA-N 1 1 301.390 2.593 50 0 DFAAMO Cc1ccc(-c2cc(C[N@H+](CC(N)=O)CC(C)C)on2)cc1 ZINC000029719707 182575079 /nfs/dbraw/zinc/57/50/79/182575079.db2.gz UXUNELZCSKZTIT-UHFFFAOYSA-N 1 1 301.390 2.593 50 0 DFAAMO CC(C)CC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 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/nfs/dbraw/zinc/83/99/56/425839956.db2.gz NKKSRESNOBALDB-CYBMUJFWSA-N 1 1 318.442 2.837 50 0 DFAAMO C[C@H](CNC(=O)CCc1ccco1)[N@H+]1CCc2sccc2C1 ZINC000032817166 425839957 /nfs/dbraw/zinc/83/99/57/425839957.db2.gz NKKSRESNOBALDB-CYBMUJFWSA-N 1 1 318.442 2.837 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@H](O)C3)c2cc1Cl ZINC000033040238 425841090 /nfs/dbraw/zinc/84/10/90/425841090.db2.gz YRLYSGLXBRXSMX-LBPRGKRZSA-N 1 1 307.777 2.712 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H](O)C3)c2cc1Cl ZINC000033040238 425841091 /nfs/dbraw/zinc/84/10/91/425841091.db2.gz YRLYSGLXBRXSMX-LBPRGKRZSA-N 1 1 307.777 2.712 50 0 DFAAMO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)cn1 ZINC000035425848 425844296 /nfs/dbraw/zinc/84/42/96/425844296.db2.gz JXMMIYZREGUESU-ZDUSSCGKSA-N 1 1 302.378 2.933 50 0 biogenic,in-vitro DFAAMO COCC[N@H+](Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036096241 425844894 /nfs/dbraw/zinc/84/48/94/425844894.db2.gz NOPJJBBXSDMEIL-GOSISDBHSA-N 1 1 317.404 2.878 50 0 DFAAMO COc1ccc(C[N@@H+](C[C@H](O)COCC(C)C)CC2CC2)cc1 ZINC000036102414 425845318 /nfs/dbraw/zinc/84/53/18/425845318.db2.gz YRXHHXGYBDPHSC-SFHVURJKSA-N 1 1 321.461 2.941 50 0 DFAAMO C[NH2+][C@@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccc(F)cc1 ZINC000036182664 425845485 /nfs/dbraw/zinc/84/54/85/425845485.db2.gz SNSBLQQIOXNVNB-WMZOPIPTSA-N 1 1 315.344 2.901 50 0 DFAAMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1 ZINC000037502865 425848183 /nfs/dbraw/zinc/84/81/83/425848183.db2.gz KYWVCAQDEFPHNP-NSHDSACASA-N 1 1 323.234 2.663 50 0 DFAAMO CC[N@H+]1CC[C@H](CNCc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644477 425848800 /nfs/dbraw/zinc/84/88/00/425848800.db2.gz BABXVLUJKGLDAJ-GFCCVEGCSA-N 1 1 312.841 2.789 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000044572413 425857044 /nfs/dbraw/zinc/85/70/44/425857044.db2.gz XVBRMLQZCYQQIH-TZMCWYRMSA-N 1 1 310.825 2.708 50 0 DFAAMO COc1ccccc1[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000047887823 425872121 /nfs/dbraw/zinc/87/21/21/425872121.db2.gz OUKVECSMKJDFJX-AWEZNQCLSA-N 1 1 316.401 2.940 50 0 DFAAMO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccco1 ZINC000047887823 425872122 /nfs/dbraw/zinc/87/21/22/425872122.db2.gz OUKVECSMKJDFJX-AWEZNQCLSA-N 1 1 316.401 2.940 50 0 DFAAMO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000248699025 268166757 /nfs/dbraw/zinc/16/67/57/268166757.db2.gz DPFBVMJZTFVMAC-CZUORRHYSA-N 1 1 308.397 2.758 50 0 DFAAMO C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000248699025 268166760 /nfs/dbraw/zinc/16/67/60/268166760.db2.gz DPFBVMJZTFVMAC-CZUORRHYSA-N 1 1 308.397 2.758 50 0 DFAAMO C[C@H](c1cccc(F)c1)[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000248699025 268166764 /nfs/dbraw/zinc/16/67/64/268166764.db2.gz DPFBVMJZTFVMAC-CZUORRHYSA-N 1 1 308.397 2.758 50 0 DFAAMO C[C@H](c1cccc(F)c1)[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000248699025 268166766 /nfs/dbraw/zinc/16/67/66/268166766.db2.gz DPFBVMJZTFVMAC-CZUORRHYSA-N 1 1 308.397 2.758 50 0 DFAAMO C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCOC1 ZINC000047717554 425871583 /nfs/dbraw/zinc/87/15/83/425871583.db2.gz SVEIJRMYBWOTHC-SNVBAGLBSA-N 1 1 317.216 2.900 50 0 DFAAMO CN(C)[C@@H](C[NH2+]Cc1nc(-c2ccsc2)no1)c1ccco1 ZINC000048250963 425873698 /nfs/dbraw/zinc/87/36/98/425873698.db2.gz VLFOIDPXCACAAX-LBPRGKRZSA-N 1 1 318.402 2.784 50 0 DFAAMO C[NH+](C)[C@@H](CNCc1nc(-c2ccsc2)no1)c1ccco1 ZINC000048250963 425873699 /nfs/dbraw/zinc/87/36/99/425873699.db2.gz VLFOIDPXCACAAX-LBPRGKRZSA-N 1 1 318.402 2.784 50 0 DFAAMO CSCc1cccc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000048275305 425874014 /nfs/dbraw/zinc/87/40/14/425874014.db2.gz LMPCKPUDUVQXAS-CQSZACIVSA-N 1 1 304.459 2.764 50 0 DFAAMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000049168902 425878761 /nfs/dbraw/zinc/87/87/61/425878761.db2.gz QZHHPSIQOKDPFO-AWEZNQCLSA-N 1 1 313.401 2.628 50 0 biogenic,in-vitro DFAAMO CCc1nn2c(nc(C[N@@H+](C)C3CCC(C)CC3)cc2=O)s1 ZINC000050274132 425881683 /nfs/dbraw/zinc/88/16/83/425881683.db2.gz 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/nfs/dbraw/zinc/99/43/70/425994370.db2.gz KECVSVBKKUZHJP-IXDOHACOSA-N 1 1 302.393 2.626 50 0 DFAAMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c2ccccc2n1 ZINC000071839983 425994585 /nfs/dbraw/zinc/99/45/85/425994585.db2.gz UAVYZGXBBAOCNF-HNNXBMFYSA-N 1 1 309.413 2.854 50 0 DFAAMO Cc1nc(CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000071858589 425995839 /nfs/dbraw/zinc/99/58/39/425995839.db2.gz GFXCWKMYMMJONC-INIZCTEOSA-N 1 1 315.442 2.509 50 0 DFAAMO Cc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000071858589 425995842 /nfs/dbraw/zinc/99/58/42/425995842.db2.gz GFXCWKMYMMJONC-INIZCTEOSA-N 1 1 315.442 2.509 50 0 DFAAMO O=C(N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)C1(c2ccccc2)CC1 ZINC000107583581 425996644 /nfs/dbraw/zinc/99/66/44/425996644.db2.gz HWSBJUWEDHIAJQ-RYQLBKOJSA-N 1 1 310.441 2.661 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@H+]2[C@@H](C)c2nc(C3CC3)no2)c1 ZINC000071875965 425997293 /nfs/dbraw/zinc/99/72/93/425997293.db2.gz CQGFGTAKQMXEPB-GXTWGEPZSA-N 1 1 301.394 2.678 50 0 DFAAMO Cc1cnn(C[C@H]2CCC[N@@H+]2[C@@H](C)c2nc(C3CC3)no2)c1 ZINC000071875965 425997296 /nfs/dbraw/zinc/99/72/96/425997296.db2.gz CQGFGTAKQMXEPB-GXTWGEPZSA-N 1 1 301.394 2.678 50 0 DFAAMO C(c1noc(C2CC2)n1)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000071871653 425997335 /nfs/dbraw/zinc/99/73/35/425997335.db2.gz PGXBIAXBNYANCN-UHFFFAOYSA-N 1 1 304.438 2.645 50 0 DFAAMO CC[N@@H+]1CCO[C@@H](CNCc2nc(-c3ccccc3)cs2)C1 ZINC000071880848 425998455 /nfs/dbraw/zinc/99/84/55/425998455.db2.gz NHTAQEQJTMLKTF-HNNXBMFYSA-N 1 1 317.458 2.620 50 0 DFAAMO CC[N@H+]1CCO[C@@H](CNCc2nc(-c3ccccc3)cs2)C1 ZINC000071880848 425998457 /nfs/dbraw/zinc/99/84/57/425998457.db2.gz NHTAQEQJTMLKTF-HNNXBMFYSA-N 1 1 317.458 2.620 50 0 DFAAMO COc1ccc(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cc1 ZINC000071880503 425998590 /nfs/dbraw/zinc/99/85/90/425998590.db2.gz RQYGTPLZNZWSMD-MOPGFXCFSA-N 1 1 316.445 2.713 50 0 DFAAMO COc1ccc(CC[N@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)cc1 ZINC000071880502 425999020 /nfs/dbraw/zinc/99/90/20/425999020.db2.gz RQYGTPLZNZWSMD-RTBURBONSA-N 1 1 316.445 2.713 50 0 DFAAMO CCOCC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000071904346 426002144 /nfs/dbraw/zinc/00/21/44/426002144.db2.gz OORIEQUNKRMVHS-KRWDZBQOSA-N 1 1 320.408 2.680 50 0 DFAAMO C[C@@H]1SCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@H]1C ZINC000071911149 426003270 /nfs/dbraw/zinc/00/32/70/426003270.db2.gz DURHAQDFGAYOAC-QWRGUYRKSA-N 1 1 323.849 2.674 50 0 DFAAMO Cc1[nH+]ccn1CCCC(=O)N[C@H](C)COc1ccccc1C ZINC000069453296 425940562 /nfs/dbraw/zinc/94/05/62/425940562.db2.gz ACPBMMXIVSXABQ-OAHLLOKOSA-N 1 1 315.417 2.864 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000069463758 425941685 /nfs/dbraw/zinc/94/16/85/425941685.db2.gz CCWINNWKLXKXFS-SJORKVTESA-N 1 1 316.420 2.943 50 0 DFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1F ZINC000069489629 425942583 /nfs/dbraw/zinc/94/25/83/425942583.db2.gz IZGXXZREXZVUFV-IRXDYDNUSA-N 1 1 304.409 2.844 50 0 DFAAMO COc1ccccc1CC1CC[NH+]([C@H]2C[C@@H](C)OC2=O)CC1 ZINC000069515455 425944268 /nfs/dbraw/zinc/94/42/68/425944268.db2.gz DNWAYUMTBFRWHM-CJNGLKHVSA-N 1 1 303.402 2.654 50 0 DFAAMO CCc1noc(C)c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC000069528724 425945929 /nfs/dbraw/zinc/94/59/29/425945929.db2.gz BFIZLJUORIJFKW-GJZGRUSLSA-N 1 1 305.422 2.634 50 0 DFAAMO CC[N@H+]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)CC1 ZINC000069538304 425946326 /nfs/dbraw/zinc/94/63/26/425946326.db2.gz WUCAONBCWBBKKJ-UHFFFAOYSA-N 1 1 302.418 2.643 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cn3ccccc3n2)n1 ZINC000069617578 425948973 /nfs/dbraw/zinc/94/89/73/425948973.db2.gz XYJZAMDNVMTSGU-QGZVFWFLSA-N 1 1 324.432 2.597 50 0 DFAAMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cn3ccccc3n2)n1 ZINC000069617578 425948977 /nfs/dbraw/zinc/94/89/77/425948977.db2.gz XYJZAMDNVMTSGU-QGZVFWFLSA-N 1 1 324.432 2.597 50 0 DFAAMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000071915697 426004738 /nfs/dbraw/zinc/00/47/38/426004738.db2.gz MYNHXDBQAPUQQO-DLBZAZTESA-N 1 1 323.440 2.884 50 0 DFAAMO 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/nfs/dbraw/zinc/18/44/89/427184489.db2.gz IUVYFKTUCODQHZ-ULQDDVLXSA-N 1 1 322.493 2.651 50 0 DFAAMO O[C@@H](Cn1cccn1)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000252517949 427184730 /nfs/dbraw/zinc/18/47/30/427184730.db2.gz VOUDWAYQPHTEOV-QRVBRYPASA-N 1 1 311.429 2.645 50 0 DFAAMO c1ccc(COc2cncc(N3CCC[N@H+]4CCC[C@H]4C3)n2)cc1 ZINC000252510580 427185656 /nfs/dbraw/zinc/18/56/56/427185656.db2.gz AKDAOZKJJFYBEC-KRWDZBQOSA-N 1 1 324.428 2.730 50 0 DFAAMO COc1ncccc1-c1csc([C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000252510727 427185801 /nfs/dbraw/zinc/18/58/01/427185801.db2.gz ZPDOYVULOZPWNJ-FZMZJTMJSA-N 1 1 317.414 2.749 50 0 DFAAMO CCCC(O)(CCC)CC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000252511623 427186126 /nfs/dbraw/zinc/18/61/26/427186126.db2.gz IUVYFKTUCODQHZ-BBWFWOEESA-N 1 1 322.493 2.651 50 0 DFAAMO CC(C)Cc1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000252537195 427188386 /nfs/dbraw/zinc/18/83/86/427188386.db2.gz KQHDSZGLKRRGSO-PBHICJAKSA-N 1 1 318.465 2.603 50 0 DFAAMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@H](c3ccccn3)C2)cc1C ZINC000253413537 427204151 /nfs/dbraw/zinc/20/41/51/427204151.db2.gz VAYDVBPRVKVHIQ-DLBZAZTESA-N 1 1 312.413 2.607 50 0 DFAAMO Cn1nccc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000253418709 427205678 /nfs/dbraw/zinc/20/56/78/427205678.db2.gz FTOBTNVXRQAKAN-UHFFFAOYSA-N 1 1 324.472 2.908 50 0 DFAAMO Cn1nccc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000253418709 427205685 /nfs/dbraw/zinc/20/56/85/427205685.db2.gz FTOBTNVXRQAKAN-UHFFFAOYSA-N 1 1 324.472 2.908 50 0 DFAAMO CC[N@@H+]1C[C@@H](C)N(Cc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000253430125 427211556 /nfs/dbraw/zinc/21/15/56/427211556.db2.gz PZKPGJONWFONAH-BETUJISGSA-N 1 1 318.396 2.790 50 0 DFAAMO CC(C)N(C)c1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cn1 ZINC000191381836 427336080 /nfs/dbraw/zinc/33/60/80/427336080.db2.gz AUGAJGULYJXJNV-INIZCTEOSA-N 1 1 313.449 2.649 50 0 DFAAMO O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000263560705 427519997 /nfs/dbraw/zinc/51/99/97/427519997.db2.gz BQETVAPRTIQMAC-FUHWJXTLSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000263560705 427520002 /nfs/dbraw/zinc/52/00/02/427520002.db2.gz BQETVAPRTIQMAC-FUHWJXTLSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000263560705 427520008 /nfs/dbraw/zinc/52/00/08/427520008.db2.gz BQETVAPRTIQMAC-FUHWJXTLSA-N 1 1 314.429 2.834 50 0 DFAAMO Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000184722188 427527581 /nfs/dbraw/zinc/52/75/81/427527581.db2.gz RZWYODCVMXATEA-UHFFFAOYSA-N 1 1 317.364 2.555 50 0 DFAAMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(C2)OCCO3)cc1 ZINC000184722188 427527587 /nfs/dbraw/zinc/52/75/87/427527587.db2.gz RZWYODCVMXATEA-UHFFFAOYSA-N 1 1 317.364 2.555 50 0 DFAAMO O=C(NCC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(O)ccc1F ZINC000299770565 427768240 /nfs/dbraw/zinc/76/82/40/427768240.db2.gz WKXCNESXIWTHJR-SUMWQHHRSA-N 1 1 320.408 2.916 50 0 DFAAMO CCCCN1CCn2nc(C[NH2+]C3Cc4ccccc4C3)cc2C1 ZINC000299775576 427768462 /nfs/dbraw/zinc/76/84/62/427768462.db2.gz DXVSALZIFZFSCQ-UHFFFAOYSA-N 1 1 324.472 2.756 50 0 DFAAMO Cc1[nH]nc(C2CC2)c1C(=O)N(C)C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000299778961 427769595 /nfs/dbraw/zinc/76/95/95/427769595.db2.gz IXLWDPUFKZPNBI-AWEZNQCLSA-N 1 1 318.465 2.645 50 0 DFAAMO Cc1n[nH]c(C2CC2)c1C(=O)N(C)C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000299778961 427769596 /nfs/dbraw/zinc/76/95/96/427769596.db2.gz IXLWDPUFKZPNBI-AWEZNQCLSA-N 1 1 318.465 2.645 50 0 DFAAMO Cc1n[nH]c(C2CC2)c1C(=O)N(C)C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000299778961 427769599 /nfs/dbraw/zinc/76/95/99/427769599.db2.gz IXLWDPUFKZPNBI-AWEZNQCLSA-N 1 1 318.465 2.645 50 0 DFAAMO CCc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)nc1 ZINC000299786030 427769796 /nfs/dbraw/zinc/76/97/96/427769796.db2.gz LPQISUVYHFBFQS-OKZBNKHCSA-N 1 1 304.434 2.802 50 0 DFAAMO O=C1C[C@H](C[NH+]2CCC(c3ccn[nH]3)CC2)CN1c1ccccc1 ZINC000299796771 427770351 /nfs/dbraw/zinc/77/03/51/427770351.db2.gz PRUFLPZNMSOGON-OAHLLOKOSA-N 1 1 324.428 2.642 50 0 DFAAMO CCc1nc(C)c(C(=O)NCCCn2cc[nH+]c2C(C)C)o1 ZINC000299793814 427770744 /nfs/dbraw/zinc/77/07/44/427770744.db2.gz ILKBLGLVVXMTRP-UHFFFAOYSA-N 1 1 304.394 2.685 50 0 DFAAMO C[N@@H+](CC(=O)NCc1nc2cc(Cl)ccc2[nH]1)C1CCCC1 ZINC000299803014 427771010 /nfs/dbraw/zinc/77/10/10/427771010.db2.gz UFOICORRIZIJQF-UHFFFAOYSA-N 1 1 320.824 2.707 50 0 DFAAMO C[N@H+](CC(=O)NCc1nc2ccc(Cl)cc2[nH]1)C1CCCC1 ZINC000299803014 427771014 /nfs/dbraw/zinc/77/10/14/427771014.db2.gz UFOICORRIZIJQF-UHFFFAOYSA-N 1 1 320.824 2.707 50 0 DFAAMO C[N@@H+](CC(=O)NCc1nc2ccc(Cl)cc2[nH]1)C1CCCC1 ZINC000299803014 427771016 /nfs/dbraw/zinc/77/10/16/427771016.db2.gz UFOICORRIZIJQF-UHFFFAOYSA-N 1 1 320.824 2.707 50 0 DFAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH]n1 ZINC000409415247 428677188 /nfs/dbraw/zinc/67/71/88/428677188.db2.gz YADGTRYSWVNAOK-YOEHRIQHSA-N 1 1 318.465 2.870 50 0 DFAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n[nH]1 ZINC000409415247 428677192 /nfs/dbraw/zinc/67/71/92/428677192.db2.gz YADGTRYSWVNAOK-YOEHRIQHSA-N 1 1 318.465 2.870 50 0 DFAAMO CC(C)c1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n[nH]1 ZINC000409415247 428677197 /nfs/dbraw/zinc/67/71/97/428677197.db2.gz YADGTRYSWVNAOK-YOEHRIQHSA-N 1 1 318.465 2.870 50 0 DFAAMO CC[N@H+]1CCC[C@H]1Cn1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000004860654 276188202 /nfs/dbraw/zinc/18/82/02/276188202.db2.gz XAQCWAFWYWKYBB-LBPRGKRZSA-N 1 1 314.364 2.501 50 0 DFAAMO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3 ZINC000014613037 277187543 /nfs/dbraw/zinc/18/75/43/277187543.db2.gz GKEOKAJRKHTDOS-ZDUSSCGKSA-N 1 1 323.348 2.896 50 0 endogenous,in-man DFAAMO C[N@H+]1CCc2cc3c(c4c2[C@@H]1Cc1cc2c(cc1-4)OCO2)OCO3 ZINC000014613037 277187545 /nfs/dbraw/zinc/18/75/45/277187545.db2.gz GKEOKAJRKHTDOS-ZDUSSCGKSA-N 1 1 323.348 2.896 50 0 endogenous,in-man DFAAMO COCC[NH+]1[C@H](C)CN(C[C@H]2CCC3(CCCCC3)O2)C[C@H]1C ZINC000248835287 277228178 /nfs/dbraw/zinc/22/81/78/277228178.db2.gz MEGWTMPCMXFIQJ-KZNAEPCWSA-N 1 1 324.509 2.909 50 0 DFAAMO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000244575008 277294202 /nfs/dbraw/zinc/29/42/02/277294202.db2.gz CVDCEGAGULKXQO-AWEZNQCLSA-N 1 1 322.840 2.809 50 0 DFAAMO COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2Cc2cc(C)on2)cc1 ZINC000583615657 430411734 /nfs/dbraw/zinc/41/17/34/430411734.db2.gz YWNKIXHWSMZGPO-MSOLQXFVSA-N 1 1 316.401 2.864 50 0 DFAAMO COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2ncc(C)o2)cc1 ZINC000583615616 430412140 /nfs/dbraw/zinc/41/21/40/430412140.db2.gz PYEDFLIGKQPMER-WMZOPIPTSA-N 1 1 316.401 2.864 50 0 DFAAMO C[C@@H]1C[NH+](C[C@H](O)c2ccc(Br)cc2)C[C@@H](C)O1 ZINC000031923735 278767366 /nfs/dbraw/zinc/76/73/66/278767366.db2.gz XPGJWEADVIKLOQ-GYSYKLTISA-N 1 1 314.223 2.592 50 0 DFAAMO C[C@H]1SCC[N@@H+](CCN2CCCC2=O)[C@@H]1c1ccccc1 ZINC000096411373 280089995 /nfs/dbraw/zinc/08/99/95/280089995.db2.gz RQZXDLQVWDPTKJ-PBHICJAKSA-N 1 1 304.459 2.787 50 0 DFAAMO Cc1c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cnn1C ZINC000091665711 280226218 /nfs/dbraw/zinc/22/62/18/280226218.db2.gz HXOAUOCGEUACIV-AZUAARDMSA-N 1 1 324.472 2.825 50 0 DFAAMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000108363602 280360523 /nfs/dbraw/zinc/36/05/23/280360523.db2.gz WRNDJSOUXLOGDJ-ZFWWWQNUSA-N 1 1 319.792 2.812 50 0 DFAAMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000108363602 280360525 /nfs/dbraw/zinc/36/05/25/280360525.db2.gz WRNDJSOUXLOGDJ-ZFWWWQNUSA-N 1 1 319.792 2.812 50 0 DFAAMO COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2(C)C)cc1C(=O)[O-] ZINC000214987689 295125083 /nfs/dbraw/zinc/12/50/83/295125083.db2.gz HRUKZAWWAHMAEY-CQSZACIVSA-N 1 1 320.433 2.556 50 0 DFAAMO COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2(C)C)cc1C(=O)[O-] ZINC000214987689 295125084 /nfs/dbraw/zinc/12/50/84/295125084.db2.gz HRUKZAWWAHMAEY-CQSZACIVSA-N 1 1 320.433 2.556 50 0 DFAAMO COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cc1C(=O)[O-] ZINC000214987689 295125085 /nfs/dbraw/zinc/12/50/85/295125085.db2.gz HRUKZAWWAHMAEY-CQSZACIVSA-N 1 1 320.433 2.556 50 0 DFAAMO FC(F)(F)CN1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000155894689 295327354 /nfs/dbraw/zinc/32/73/54/295327354.db2.gz DKAUGFOJFYKFDR-UHFFFAOYSA-N 1 1 314.351 2.692 50 0 DFAAMO FC(F)(F)CN1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000155894689 295327355 /nfs/dbraw/zinc/32/73/55/295327355.db2.gz DKAUGFOJFYKFDR-UHFFFAOYSA-N 1 1 314.351 2.692 50 0 DFAAMO CCOC(=O)N1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000495423990 299926607 /nfs/dbraw/zinc/92/66/07/299926607.db2.gz FTEDTTNWZRDVKC-AWEZNQCLSA-N 1 1 315.373 2.662 50 0 DFAAMO Cn1ccnc1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181286982 316055893 /nfs/dbraw/zinc/05/58/93/316055893.db2.gz LOZMETUXUFVINY-HNNXBMFYSA-N 1 1 322.416 2.585 50 0 DFAAMO Cn1ccnc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181286982 316055897 /nfs/dbraw/zinc/05/58/97/316055897.db2.gz LOZMETUXUFVINY-HNNXBMFYSA-N 1 1 322.416 2.585 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2c(Cl)cccc2OC)C1 ZINC000153048246 323213585 /nfs/dbraw/zinc/21/35/85/323213585.db2.gz TVJHLDKTTJJAJG-ZDUSSCGKSA-N 1 1 324.852 2.739 50 0 DFAAMO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)oc1C ZINC000685940062 546411902 /nfs/dbraw/zinc/41/19/02/546411902.db2.gz HCUPVJQJIZWRGW-XEGUGMAKSA-N 1 1 304.394 2.751 50 0 DFAAMO Cc1[nH]c(C)c(-c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2)[nH+]1 ZINC000584884238 563925355 /nfs/dbraw/zinc/92/53/55/563925355.db2.gz JZBAGMBVOAEKKX-GFCCVEGCSA-N 1 1 323.400 2.709 50 0 DFAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ncoc2C2CC2)cc1 ZINC000095498001 185374286 /nfs/dbraw/zinc/37/42/86/185374286.db2.gz BDOYYOJAZPNAGO-UHFFFAOYSA-N 1 1 322.368 2.976 50 0 DFAAMO Cn1ccnc1CCC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522742 185377464 /nfs/dbraw/zinc/37/74/64/185377464.db2.gz VJLYATXQTXJVID-MRXNPFEDSA-N 1 1 313.445 2.926 50 0 DFAAMO CCc1nsc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328629974 231262806 /nfs/dbraw/zinc/26/28/06/231262806.db2.gz PIKFEUZQSRROCP-ZFWWWQNUSA-N 1 1 317.462 2.625 50 0 DFAAMO CC(C)c1ncc(Cl)c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)n1 ZINC000095392645 185351791 /nfs/dbraw/zinc/35/17/91/185351791.db2.gz KRRGOUCDEZDJGB-GFCCVEGCSA-N 1 1 322.840 2.564 50 0 DFAAMO CS[C@@H]1CCCC[C@@H]1NC(=O)NCCCn1cc[nH+]c1C ZINC000095399882 185354084 /nfs/dbraw/zinc/35/40/84/185354084.db2.gz TVMWKDDSBPUKEI-UONOGXRCSA-N 1 1 310.467 2.555 50 0 DFAAMO Cc1cnc(CN(C)[C@@H]2CC[N@@H+](Cc3sc(C)nc3C)C2)o1 ZINC000095402350 185354449 /nfs/dbraw/zinc/35/44/49/185354449.db2.gz MHUDKUMRAZAMKR-CQSZACIVSA-N 1 1 320.462 2.763 50 0 DFAAMO COc1ccccc1[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000095401516 185354657 /nfs/dbraw/zinc/35/46/57/185354657.db2.gz WCNNYBQGUOTWQK-MRXNPFEDSA-N 1 1 311.429 2.969 50 0 DFAAMO CN1CCN(CCC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000095419539 185359818 /nfs/dbraw/zinc/35/98/18/185359818.db2.gz JUUGNWICZUOLRR-PMACEKPBSA-N 1 1 315.505 2.625 50 0 DFAAMO CCCNC(=O)C[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000095419421 185359827 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c1n[nH]cc1[C@H]1CCCN([C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000097048645 185403293 /nfs/dbraw/zinc/40/32/93/185403293.db2.gz BNJDTNZHXHSNSL-AZUAARDMSA-N 1 1 324.472 2.906 50 0 DFAAMO c1n[nH]cc1[C@H]1CCC[N@@H+]([C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000097048645 185403294 /nfs/dbraw/zinc/40/32/94/185403294.db2.gz BNJDTNZHXHSNSL-AZUAARDMSA-N 1 1 324.472 2.906 50 0 DFAAMO c1n[nH]cc1[C@H]1CCC[N@H+]([C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000097048645 185403295 /nfs/dbraw/zinc/40/32/95/185403295.db2.gz BNJDTNZHXHSNSL-AZUAARDMSA-N 1 1 324.472 2.906 50 0 DFAAMO O=C1CC[C@@H]([N@H+]2CCCC3(CCOCC3)C2)CCN1CC1CC1 ZINC000584899291 398430003 /nfs/dbraw/zinc/43/00/03/398430003.db2.gz OXKNVKKPWFARTB-QGZVFWFLSA-N 1 1 320.477 2.670 50 0 DFAAMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc(Cl)cn1 ZINC000328641453 529955198 /nfs/dbraw/zinc/95/51/98/529955198.db2.gz XWQKZHMOSFAPJR-ZFWWWQNUSA-N 1 1 317.824 2.654 50 0 DFAAMO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)o1 ZINC000089289606 398447087 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Cn1ccnc1C[N@H+]1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072143424 191050214 /nfs/dbraw/zinc/05/02/14/191050214.db2.gz RBEDINNXBHHSJB-AWEZNQCLSA-N 1 1 303.381 2.850 50 0 DFAAMO Fc1ccc(CC[C@H]2CCC[N@@H+](CCn3cncn3)C2)cc1 ZINC000072145364 191050676 /nfs/dbraw/zinc/05/06/76/191050676.db2.gz JFBBSCQRZAKYPG-MRXNPFEDSA-N 1 1 302.397 2.762 50 0 DFAAMO CN(C)C(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072168469 191067147 /nfs/dbraw/zinc/06/71/47/191067147.db2.gz KFYUTWZKZZAHEA-UHFFFAOYSA-N 1 1 322.452 2.787 50 0 DFAAMO C[NH+](C)[C@H]1CCCN(Cc2cccc(Cn3cccn3)c2)CC1 ZINC000072170445 191068341 /nfs/dbraw/zinc/06/83/41/191068341.db2.gz VJJZEAFTQJQKSN-IBGZPJMESA-N 1 1 312.461 2.848 50 0 DFAAMO COc1ccc(NC(=O)[C@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)cc1 ZINC000225579317 186279715 /nfs/dbraw/zinc/27/97/15/186279715.db2.gz UHVSKIDLTPFKLA-DLBZAZTESA-N 1 1 316.401 2.791 50 0 DFAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)c2cccc(O)c2)c1 ZINC000097236786 398667131 /nfs/dbraw/zinc/66/71/31/398667131.db2.gz IYTYDYTXVGXMTM-UHFFFAOYSA-N 1 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CS[C@H]1CCCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000076087223 398838388 /nfs/dbraw/zinc/83/83/88/398838388.db2.gz YYWBBZWOJBBFIJ-CABCVRRESA-N 1 1 324.494 2.945 50 0 DFAAMO C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2csc(C[NH3+])n2)C1 ZINC000237699506 202331567 /nfs/dbraw/zinc/33/15/67/202331567.db2.gz ZZFWASYGTCCHND-HZMBPMFUSA-N 1 1 319.405 2.964 50 0 DFAAMO Cn1cnnc1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189005715 200334259 /nfs/dbraw/zinc/33/42/59/200334259.db2.gz YUGXLWBGMKOZDM-UHFFFAOYSA-N 1 1 308.788 2.987 50 0 DFAAMO C[C@H]1SCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)[C@@H]1C ZINC000071911150 291260916 /nfs/dbraw/zinc/26/09/16/291260916.db2.gz DURHAQDFGAYOAC-GHMZBOCLSA-N 1 1 323.849 2.674 50 0 DFAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)CC1=CCCCC1)CC2 ZINC000169782807 399000964 /nfs/dbraw/zinc/00/09/64/399000964.db2.gz OWAQCQMULMQQOD-KRWDZBQOSA-N 1 1 320.477 2.694 50 0 DFAAMO CCNC(=O)N1CCC[C@H](Cc2[nH+]cc(C)n2CC2CC2)C1 ZINC000169791963 399001941 /nfs/dbraw/zinc/00/19/41/399001941.db2.gz 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C[C@@H](CNC(=O)CC(F)(F)F)[N@H+]1CCc2ccccc2C1 ZINC000045527997 425861513 /nfs/dbraw/zinc/86/15/13/425861513.db2.gz KSVATTKPAQBYHH-NSHDSACASA-N 1 1 300.324 2.502 50 0 DFAAMO CC(C)Cc1ccc(C(=O)C2CC[NH+]([C@H](C)C(N)=O)CC2)cc1 ZINC000046087360 425864103 /nfs/dbraw/zinc/86/41/03/425864103.db2.gz LSEUXVRGNBXNGA-CQSZACIVSA-N 1 1 316.445 2.654 50 0 DFAAMO Cc1ccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cn1 ZINC000028036717 425819395 /nfs/dbraw/zinc/81/93/95/425819395.db2.gz XFXSHCBGGIRJOH-UHFFFAOYSA-N 1 1 315.442 2.800 50 0 DFAAMO CC(C)OCc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000028340991 425821649 /nfs/dbraw/zinc/82/16/49/425821649.db2.gz FDANEQNTVGQVMB-GOSISDBHSA-N 1 1 312.413 2.928 50 0 DFAAMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 ZINC000029482731 425827125 /nfs/dbraw/zinc/82/71/25/425827125.db2.gz SNXZSPKJYNHQIA-MRXNPFEDSA-N 1 1 324.380 2.973 50 0 DFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000029838822 425829503 /nfs/dbraw/zinc/82/95/03/425829503.db2.gz ZIKVPUXYVYWEQX-UHFFFAOYSA-N 1 1 300.427 2.926 50 0 DFAAMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCOc2ccccc2)on1 ZINC000029854989 425829630 /nfs/dbraw/zinc/82/96/30/425829630.db2.gz OQIXDAVDMZCXSF-AWEZNQCLSA-N 1 1 317.389 2.711 50 0 DFAAMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCCOc2ccccc2)on1 ZINC000029854989 425829632 /nfs/dbraw/zinc/82/96/32/425829632.db2.gz OQIXDAVDMZCXSF-AWEZNQCLSA-N 1 1 317.389 2.711 50 0 DFAAMO CC(C)=CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000032806043 425840005 /nfs/dbraw/zinc/84/00/05/425840005.db2.gz NAZBCRKCAGSQJW-UHFFFAOYSA-N 1 1 322.474 2.658 50 0 DFAAMO CC(C)=CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000032806043 425840006 /nfs/dbraw/zinc/84/00/06/425840006.db2.gz NAZBCRKCAGSQJW-UHFFFAOYSA-N 1 1 322.474 2.658 50 0 DFAAMO COc1ccc2[nH]c([C@H]3CC[N@H+](C4CCOCC4)C3)nc2c1 ZINC000035446788 425844321 /nfs/dbraw/zinc/84/43/21/425844321.db2.gz XPGCSVKKPBPKSU-LBPRGKRZSA-N 1 1 301.390 2.540 50 0 biogenic,in-vitro DFAAMO COc1ccc2nc([C@H]3CC[N@@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446788 425844322 /nfs/dbraw/zinc/84/43/22/425844322.db2.gz XPGCSVKKPBPKSU-LBPRGKRZSA-N 1 1 301.390 2.540 50 0 biogenic,in-vitro DFAAMO COc1ccc2nc([C@H]3CC[N@H+](C4CCOCC4)C3)[nH]c2c1 ZINC000035446788 425844323 /nfs/dbraw/zinc/84/43/23/425844323.db2.gz XPGCSVKKPBPKSU-LBPRGKRZSA-N 1 1 301.390 2.540 50 0 biogenic,in-vitro DFAAMO COCCC[N@H+](Cc1cc(C)ccc1C)C[C@H](O)COC(C)C ZINC000036097382 425845180 /nfs/dbraw/zinc/84/51/80/425845180.db2.gz HCJQYJGRYZMWEO-IBGZPJMESA-N 1 1 323.477 2.928 50 0 DFAAMO COc1cccc(C[N@@H+](C[C@H](O)COCC(C)C)C(C)C)c1 ZINC000036098331 425845239 /nfs/dbraw/zinc/84/52/39/425845239.db2.gz SZGJJOFUVGMTAM-KRWDZBQOSA-N 1 1 309.450 2.939 50 0 DFAAMO COCc1cccc(C(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000036391919 425845733 /nfs/dbraw/zinc/84/57/33/425845733.db2.gz RKCXRNLDWDFQAX-GASCZTMLSA-N 1 1 304.434 2.541 50 0 DFAAMO CC[N@H+]1CC[C@@H](CNCc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000037644478 425848850 /nfs/dbraw/zinc/84/88/50/425848850.db2.gz BABXVLUJKGLDAJ-LBPRGKRZSA-N 1 1 312.841 2.789 50 0 DFAAMO [NH3+][C@@H](CSCc1ccccc1)C(=O)OCc1ccccc1 ZINC000038200513 425850690 /nfs/dbraw/zinc/85/06/90/425850690.db2.gz RWISUDSSXJFKIY-INIZCTEOSA-N 1 1 301.411 2.991 50 0 DFAAMO C[C@H](CNC(=O)Nc1ccccn1)[N@@H+]1CCc2sccc2C1 ZINC000047010035 425867599 /nfs/dbraw/zinc/86/75/99/425867599.db2.gz UBDOISVYPYKGMY-GFCCVEGCSA-N 1 1 316.430 2.711 50 0 DFAAMO C[C@H](CNC(=O)Nc1ccccn1)[N@H+]1CCc2sccc2C1 ZINC000047010035 425867600 /nfs/dbraw/zinc/86/76/00/425867600.db2.gz UBDOISVYPYKGMY-GFCCVEGCSA-N 1 1 316.430 2.711 50 0 DFAAMO C[C@@H]1COCC[N@H+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000046775680 425866469 /nfs/dbraw/zinc/86/64/69/425866469.db2.gz ADOKIMDJHNEXDS-CVEARBPZSA-N 1 1 324.424 2.876 50 0 DFAAMO CC(C)[C@@H](C(=O)N[C@H](C)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000048290706 425873956 /nfs/dbraw/zinc/87/39/56/425873956.db2.gz SDPVAZFLPDCUBI-KDOFPFPSSA-N 1 1 300.446 2.984 50 0 DFAAMO O[C@H](C[NH2+]Cc1nc(-c2ccsc2)no1)c1ccccc1 ZINC000048264123 425874032 /nfs/dbraw/zinc/87/40/32/425874032.db2.gz STHSWMLNBKSBSJ-CYBMUJFWSA-N 1 1 301.371 2.621 50 0 DFAAMO Cc1ncc2c(n1)CC[N@H+](CCCc1nc3ccccc3o1)C2 ZINC000048366673 425875031 /nfs/dbraw/zinc/87/50/31/425875031.db2.gz YIWUOOAKZYMYJI-UHFFFAOYSA-N 1 1 308.385 2.917 50 0 DFAAMO C[C@@H](CNCc1c[nH]nc1-c1cccs1)C[NH+]1CCCC1 ZINC000048749241 425877330 /nfs/dbraw/zinc/87/73/30/425877330.db2.gz CGBFWLBLRJDKIZ-ZDUSSCGKSA-N 1 1 304.463 2.960 50 0 DFAAMO Cn1cncc1-c1nnc([C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000049170453 425878832 /nfs/dbraw/zinc/87/88/32/425878832.db2.gz HROOYQOCGFXYJX-LBPRGKRZSA-N 1 1 301.394 2.592 50 0 biogenic,in-vitro DFAAMO CC[C@H]1CN(CCCOc2cccc(C)c2)CC[N@H+]1C[C@H](C)O ZINC000106929733 425981602 /nfs/dbraw/zinc/98/16/02/425981602.db2.gz JJJBZZHCQCYHHG-ROUUACIJSA-N 1 1 320.477 2.541 50 0 DFAAMO CC[C@H]1C[N@H+](CCCOc2cccc(C)c2)CCN1C[C@H](C)O ZINC000106929733 425981605 /nfs/dbraw/zinc/98/16/05/425981605.db2.gz JJJBZZHCQCYHHG-ROUUACIJSA-N 1 1 320.477 2.541 50 0 DFAAMO CC[C@H]1C[N@@H+](CCCOc2cccc(C)c2)CCN1C[C@H](C)O ZINC000106929733 425981606 /nfs/dbraw/zinc/98/16/06/425981606.db2.gz JJJBZZHCQCYHHG-ROUUACIJSA-N 1 1 320.477 2.541 50 0 DFAAMO Cn1ccnc1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000071278722 425984595 /nfs/dbraw/zinc/98/45/95/425984595.db2.gz BYNQYRZOWYKYGQ-RBUKOAKNSA-N 1 1 321.424 2.924 50 0 DFAAMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000071278722 425984597 /nfs/dbraw/zinc/98/45/97/425984597.db2.gz BYNQYRZOWYKYGQ-RBUKOAKNSA-N 1 1 321.424 2.924 50 0 DFAAMO CC(C)[C@H]1CN(C(=O)c2ccccc2O)CCC[N@H+]1CC1CC1 ZINC000071761565 425988920 /nfs/dbraw/zinc/98/89/20/425988920.db2.gz BEDPPWGNUXNCRI-QGZVFWFLSA-N 1 1 316.445 2.975 50 0 DFAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1c1ccco1 ZINC000107494205 425994158 /nfs/dbraw/zinc/99/41/58/425994158.db2.gz SVLRHUKKPXQCIH-QZTJIDSGSA-N 1 1 324.424 2.948 50 0 DFAAMO Cc1cnn(CC[NH2+][C@H](C)c2nnc(-c3cccc(C)c3)o2)c1 ZINC000071872088 425997645 /nfs/dbraw/zinc/99/76/45/425997645.db2.gz MENWFGKTBGIUHI-CQSZACIVSA-N 1 1 311.389 2.901 50 0 DFAAMO CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000071899666 426001112 /nfs/dbraw/zinc/00/11/12/426001112.db2.gz AHDLRZUILJBDJI-CQSZACIVSA-N 1 1 324.494 2.583 50 0 DFAAMO CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000071899666 426001116 /nfs/dbraw/zinc/00/11/16/426001116.db2.gz AHDLRZUILJBDJI-CQSZACIVSA-N 1 1 324.494 2.583 50 0 DFAAMO FC(F)C(F)(F)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000071907448 426002367 /nfs/dbraw/zinc/00/23/67/426002367.db2.gz GYCJYHNUNLLNCJ-UHFFFAOYSA-N 1 1 304.331 2.747 50 0 DFAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)NCCc1ccsc1 ZINC000069588863 425947611 /nfs/dbraw/zinc/94/76/11/425947611.db2.gz QXMFQQBKORMPTA-QGZVFWFLSA-N 1 1 314.454 2.896 50 0 DFAAMO Fc1cc2cccnc2c(C[N@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000069617506 425949586 /nfs/dbraw/zinc/94/95/86/425949586.db2.gz AXACVCZSLMOOHM-INIZCTEOSA-N 1 1 311.364 2.630 50 0 DFAAMO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2coc(-c3ccccc3)n2)n1 ZINC000069617521 425949707 /nfs/dbraw/zinc/94/97/07/425949707.db2.gz GAWXETISRFZVRM-INIZCTEOSA-N 1 1 309.373 2.598 50 0 DFAAMO c1ncn(C[C@@H]2CCC[N@H+]2Cc2coc(-c3ccccc3)n2)n1 ZINC000069617521 425949709 /nfs/dbraw/zinc/94/97/09/425949709.db2.gz GAWXETISRFZVRM-INIZCTEOSA-N 1 1 309.373 2.598 50 0 DFAAMO c1cnn(C[C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000069632041 425950503 /nfs/dbraw/zinc/95/05/03/425950503.db2.gz HWNSPMLEKLFCBO-AWEZNQCLSA-N 1 1 313.361 2.581 50 0 DFAAMO c1cnn(C[C@@H]2CCCC[N@H+]2Cc2nc(-c3ccoc3)no2)c1 ZINC000069632041 425950506 /nfs/dbraw/zinc/95/05/06/425950506.db2.gz HWNSPMLEKLFCBO-AWEZNQCLSA-N 1 1 313.361 2.581 50 0 DFAAMO CCn1cc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000069656375 425952061 /nfs/dbraw/zinc/95/20/61/425952061.db2.gz APGCTQBSDOHZMH-UHFFFAOYSA-N 1 1 318.465 2.518 50 0 DFAAMO CCn1cc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)cn1 ZINC000069656375 425952062 /nfs/dbraw/zinc/95/20/62/425952062.db2.gz APGCTQBSDOHZMH-UHFFFAOYSA-N 1 1 318.465 2.518 50 0 DFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000069665168 425953093 /nfs/dbraw/zinc/95/30/93/425953093.db2.gz LKCRJJVGYFDJEI-ROUUACIJSA-N 1 1 309.413 2.934 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cn3c(cccc3C)n2)n1 ZINC000069742585 425955275 /nfs/dbraw/zinc/95/52/75/425955275.db2.gz KTGYIJWGGYEVBG-KRWDZBQOSA-N 1 1 324.432 2.516 50 0 DFAAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cn3c(cccc3C)n2)n1 ZINC000069742585 425955280 /nfs/dbraw/zinc/95/52/80/425955280.db2.gz KTGYIJWGGYEVBG-KRWDZBQOSA-N 1 1 324.432 2.516 50 0 DFAAMO c1ncn(C[C@H]2CCC[N@@H+](Cc3coc(-c4ccccc4)n3)C2)n1 ZINC000069925115 425962701 /nfs/dbraw/zinc/96/27/01/425962701.db2.gz SZRMPIMKLVVTIR-HNNXBMFYSA-N 1 1 323.400 2.845 50 0 DFAAMO C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc21 ZINC000069947446 425964487 /nfs/dbraw/zinc/96/44/87/425964487.db2.gz BELNUAOCJBCTTA-ROUUACIJSA-N 1 1 323.440 2.863 50 0 DFAAMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000069950764 425964571 /nfs/dbraw/zinc/96/45/71/425964571.db2.gz RXXAXIVZEORNRK-MRXNPFEDSA-N 1 1 312.417 2.637 50 0 DFAAMO CCN1CCO[C@H](C[NH2+]Cc2csc(-c3cccs3)n2)C1 ZINC000069976537 425964858 /nfs/dbraw/zinc/96/48/58/425964858.db2.gz ZZLSKSRNPGRVTI-CYBMUJFWSA-N 1 1 323.487 2.682 50 0 DFAAMO CC[N@@H+]1CCO[C@H](CNCc2csc(-c3cccs3)n2)C1 ZINC000069976537 425964861 /nfs/dbraw/zinc/96/48/61/425964861.db2.gz ZZLSKSRNPGRVTI-CYBMUJFWSA-N 1 1 323.487 2.682 50 0 DFAAMO CC[N@H+]1CCO[C@H](CNCc2csc(-c3cccs3)n2)C1 ZINC000069976537 425964864 /nfs/dbraw/zinc/96/48/64/425964864.db2.gz ZZLSKSRNPGRVTI-CYBMUJFWSA-N 1 1 323.487 2.682 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313828 426046674 /nfs/dbraw/zinc/04/66/74/426046674.db2.gz NOWGKVALNFPLJH-IRXDYDNUSA-N 1 1 314.360 2.572 50 0 DFAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@H+]1CC[C@H](O)C1 ZINC000074313828 426046677 /nfs/dbraw/zinc/04/66/77/426046677.db2.gz NOWGKVALNFPLJH-IRXDYDNUSA-N 1 1 314.360 2.572 50 0 DFAAMO FC(F)Oc1cccc([C@H]2C[N@H+](CCn3cccn3)CCO2)c1 ZINC000127332783 426061594 /nfs/dbraw/zinc/06/15/94/426061594.db2.gz 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426129314 /nfs/dbraw/zinc/12/93/14/426129314.db2.gz PMFNDFLDMJYIQK-QGZVFWFLSA-N 1 1 322.474 2.742 50 0 DFAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)c1[nH+]cnc2[nH]ccc21 ZINC000077354826 426129487 /nfs/dbraw/zinc/12/94/87/426129487.db2.gz FPBOICUVMKRUSE-UHFFFAOYSA-N 1 1 322.347 2.919 50 0 DFAAMO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)CCCCO1 ZINC000077354762 426129655 /nfs/dbraw/zinc/12/96/55/426129655.db2.gz PMFNDFLDMJYIQK-KRWDZBQOSA-N 1 1 322.474 2.742 50 0 DFAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)Cc1cccs1 ZINC000077405980 426131591 /nfs/dbraw/zinc/13/15/91/426131591.db2.gz ZNGJGSDKNKIXJN-INIZCTEOSA-N 1 1 314.454 2.806 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000077406833 426132070 /nfs/dbraw/zinc/13/20/70/426132070.db2.gz JRLPUOOYDRLYDF-OAHLLOKOSA-N 1 1 324.428 2.571 50 0 DFAAMO C[N@H+]1CC[C@H]2CN(Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000077505473 426137006 /nfs/dbraw/zinc/13/70/06/426137006.db2.gz MSSURWUMEUYYID-FXAWDEMLSA-N 1 1 323.440 2.797 50 0 DFAAMO CN1CC[C@H]2C[N@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000077505473 426137009 /nfs/dbraw/zinc/13/70/09/426137009.db2.gz MSSURWUMEUYYID-FXAWDEMLSA-N 1 1 323.440 2.797 50 0 DFAAMO CN1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]21 ZINC000077505473 426137011 /nfs/dbraw/zinc/13/70/11/426137011.db2.gz MSSURWUMEUYYID-FXAWDEMLSA-N 1 1 323.440 2.797 50 0 DFAAMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCN2CCOC2=O)c1 ZINC000075838688 426086815 /nfs/dbraw/zinc/08/68/15/426086815.db2.gz NODRSQNKFREKLV-KRWDZBQOSA-N 1 1 317.433 2.732 50 0 DFAAMO CC(C)N1CC[NH+](CCCSc2ncc3ccccn32)CC1 ZINC000170605544 426140346 /nfs/dbraw/zinc/14/03/46/426140346.db2.gz IDJXBUPCGRIMLD-UHFFFAOYSA-N 1 1 318.490 2.843 50 0 DFAAMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nccc(N)n2)C12CCCCC2 ZINC000135099573 426205576 /nfs/dbraw/zinc/20/55/76/426205576.db2.gz ZCRKFSAKVRYHGR-KBPBESRZSA-N 1 1 304.438 2.619 50 0 DFAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nccc(N)n2)C12CCCCC2 ZINC000135099573 426205578 /nfs/dbraw/zinc/20/55/78/426205578.db2.gz 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CCS[C@@H]1CCCC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000089275176 426285072 /nfs/dbraw/zinc/28/50/72/426285072.db2.gz NKTZXMYSCWKSBR-WDEREUQCSA-N 1 1 312.401 2.661 50 0 DFAAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095075502 426363343 /nfs/dbraw/zinc/36/33/43/426363343.db2.gz SAMVNEQKSDVXBW-HNNXBMFYSA-N 1 1 305.422 2.770 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H](c2ccccc2)C1)NCc1ccc(O)cc1 ZINC000095356424 426367029 /nfs/dbraw/zinc/36/70/29/426367029.db2.gz PSZWKJBEPJFMLV-GOSISDBHSA-N 1 1 324.424 2.888 50 0 DFAAMO CN(Cc1ccc(Cl)nc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095388608 426370344 /nfs/dbraw/zinc/37/03/44/426370344.db2.gz YJIMSPXMPVIVNN-CQSZACIVSA-N 1 1 309.841 2.958 50 0 DFAAMO Cc1ccc([C@H](C(=O)NCCCc2ccccn2)[NH+](C)C)cc1 ZINC000095387625 426370365 /nfs/dbraw/zinc/37/03/65/426370365.db2.gz KZMMQWFNNRCXIQ-GOSISDBHSA-N 1 1 311.429 2.742 50 0 DFAAMO CC(C)n1cnnc1C[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095531433 426373089 /nfs/dbraw/zinc/37/30/89/426373089.db2.gz 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/nfs/dbraw/zinc/38/40/25/426384025.db2.gz SIKKVEYTVOJZSP-ZDUSSCGKSA-N 1 1 308.397 2.743 50 0 DFAAMO Cc1ccc(CNC(=O)NC2(C)CCC2)c(N2CCCC2)[nH+]1 ZINC000096004681 426387362 /nfs/dbraw/zinc/38/73/62/426387362.db2.gz UYEMUYHBQGIICG-UHFFFAOYSA-N 1 1 302.422 2.732 50 0 DFAAMO CC[N@H+](Cc1nc(-c2c(C)cc(C)nc2OC)no1)C1CC1 ZINC000096009449 426388006 /nfs/dbraw/zinc/38/80/06/426388006.db2.gz DUGGFYDJKPQTFD-UHFFFAOYSA-N 1 1 302.378 2.741 50 0 DFAAMO CC[N@@H+](Cc1nc(-c2c(C)cc(C)nc2OC)no1)C1CC1 ZINC000096009449 426388008 /nfs/dbraw/zinc/38/80/08/426388008.db2.gz DUGGFYDJKPQTFD-UHFFFAOYSA-N 1 1 302.378 2.741 50 0 DFAAMO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[NH+](C2CC2)CC1 ZINC000096402523 426415132 /nfs/dbraw/zinc/41/51/32/426415132.db2.gz XPBDMDVPPJETNG-JKSUJKDBSA-N 1 1 304.821 2.750 50 0 DFAAMO COc1ccc([C@H]2[C@@H](COC(=O)c3ccon3)CC[N@H+]2C)cc1 ZINC000096420387 426419467 /nfs/dbraw/zinc/41/94/67/426419467.db2.gz OPLHBQDOKFOVNN-CJNGLKHVSA-N 1 1 316.357 2.533 50 0 DFAAMO C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@H](c2ccco2)C1 ZINC000096441793 426425536 /nfs/dbraw/zinc/42/55/36/426425536.db2.gz ZANWWCLHPHNQFP-HOCLYGCPSA-N 1 1 313.401 2.764 50 0 DFAAMO C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@H](c2ccco2)C1 ZINC000096441793 426425540 /nfs/dbraw/zinc/42/55/40/426425540.db2.gz ZANWWCLHPHNQFP-HOCLYGCPSA-N 1 1 313.401 2.764 50 0 DFAAMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](O)c1c(F)cccc1F ZINC000096484350 426434309 /nfs/dbraw/zinc/43/43/09/426434309.db2.gz YDMLKFFQWJASGX-ZBYUQBLASA-N 1 1 310.388 2.603 50 0 DFAAMO CC[N@H+]1CC[C@H](Nc2ccc(NC(C)=O)c(OC)c2)[C@H](C)C1 ZINC000097045630 426442704 /nfs/dbraw/zinc/44/27/04/426442704.db2.gz KJIGOCYCZAHMSQ-DOMZBBRYSA-N 1 1 305.422 2.796 50 0 DFAAMO C[N@H+]1CCCN(C(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000097051541 426444217 /nfs/dbraw/zinc/44/42/17/426444217.db2.gz RGMWNHJHMLHNMU-UHFFFAOYSA-N 1 1 317.433 2.783 50 0 DFAAMO CCCOc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)c(C)c1 ZINC000097051398 426444275 /nfs/dbraw/zinc/44/42/75/426444275.db2.gz 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Cc1cccc2c(CN3CCN4CC[N@H+](C)C[C@@H]4C3)cccc12 ZINC000215246214 426551337 /nfs/dbraw/zinc/55/13/37/426551337.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 1 1 309.457 2.580 50 0 DFAAMO Cc1cccc2c(C[N@H+]3CCN4CCN(C)C[C@@H]4C3)cccc12 ZINC000215246214 426551343 /nfs/dbraw/zinc/55/13/43/426551343.db2.gz LEJACEFCQCFHPF-GOSISDBHSA-N 1 1 309.457 2.580 50 0 DFAAMO CCn1ccc2c1cccc2C[N@H+]1CCO[C@@H](CCOC)C1 ZINC000215476738 426552152 /nfs/dbraw/zinc/55/21/52/426552152.db2.gz GSZRZUHVYQUOKR-INIZCTEOSA-N 1 1 302.418 2.899 50 0 DFAAMO C[NH+]1CCN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 ZINC000265337451 426620698 /nfs/dbraw/zinc/62/06/98/426620698.db2.gz AJZNTFDQPSISHO-UHFFFAOYSA-N 1 1 316.405 2.905 50 0 DFAAMO c1cc2c(nc[nH+]c2N[C@@H]2COCC[C@@H]2OCc2ccccc2)[nH]1 ZINC000219396685 426572536 /nfs/dbraw/zinc/57/25/36/426572536.db2.gz JWKUICFMPCRILA-CVEARBPZSA-N 1 1 324.384 2.744 50 0 DFAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000219589422 426573825 /nfs/dbraw/zinc/57/38/25/426573825.db2.gz 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COc1cccc(C=O)c1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020639297 182240635 /nfs/dbraw/zinc/24/06/35/182240635.db2.gz DBSGTOAWDDXOKI-GJZGRUSLSA-N 1 1 321.417 2.776 50 0 DFAAMO Cc1ccsc1C[N@@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000020906547 182253372 /nfs/dbraw/zinc/25/33/72/182253372.db2.gz WVVMUVLBBKVUHP-ZDUSSCGKSA-N 1 1 318.446 2.558 50 0 DFAAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000022014822 182303570 /nfs/dbraw/zinc/30/35/70/182303570.db2.gz RYQYYHZMPHEQEU-RDJZCZTQSA-N 1 1 302.418 2.906 50 0 DFAAMO c1coc(-c2nnc(CN3CC[NH+](Cc4ccccc4)CC3)o2)c1 ZINC000022796030 182335214 /nfs/dbraw/zinc/33/52/14/182335214.db2.gz DNKPRABUXGEJPB-UHFFFAOYSA-N 1 1 324.384 2.647 50 0 DFAAMO CC[N@@H+]1CCC[C@H]1CNCc1cccc(Oc2ncccn2)c1 ZINC000022937034 182342536 /nfs/dbraw/zinc/34/25/36/182342536.db2.gz BRPRXAASTIAXEN-INIZCTEOSA-N 1 1 312.417 2.843 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNCc1cccc(Oc2ncccn2)c1 ZINC000022937034 182342538 /nfs/dbraw/zinc/34/25/38/182342538.db2.gz BRPRXAASTIAXEN-INIZCTEOSA-N 1 1 312.417 2.843 50 0 DFAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(F)cc1)[NH+](C)C ZINC000023712164 182367701 /nfs/dbraw/zinc/36/77/01/182367701.db2.gz VHCQADCUKVWJCH-MRXNPFEDSA-N 1 1 316.376 2.867 50 0 DFAAMO Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)no1 ZINC000024535585 182382813 /nfs/dbraw/zinc/38/28/13/182382813.db2.gz FPBCQUWBJXTGBN-CYBMUJFWSA-N 1 1 318.377 2.925 50 0 DFAAMO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cn1 ZINC000031961907 182630332 /nfs/dbraw/zinc/63/03/32/182630332.db2.gz MDZVJWKVXWCKNI-CYBMUJFWSA-N 1 1 315.442 2.628 50 0 DFAAMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cn1 ZINC000031961907 182630334 /nfs/dbraw/zinc/63/03/34/182630334.db2.gz MDZVJWKVXWCKNI-CYBMUJFWSA-N 1 1 315.442 2.628 50 0 DFAAMO COCCC[N@H+](Cc1ccccc1C)C[C@H](O)COC(C)C ZINC000036099906 182800821 /nfs/dbraw/zinc/80/08/21/182800821.db2.gz AKSNFGAPJIDWJI-SFHVURJKSA-N 1 1 309.450 2.619 50 0 DFAAMO C[C@@H](c1cnccn1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000253425301 296244590 /nfs/dbraw/zinc/24/45/90/296244590.db2.gz SBOLJUMFVFYYBS-SUNYJGFJSA-N 1 1 317.433 2.981 50 0 DFAAMO CCC[C@@H](NC(=O)[C@H](C)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000039985820 183026518 /nfs/dbraw/zinc/02/65/18/183026518.db2.gz YLHZVARDQNVXEW-FUHWJXTLSA-N 1 1 317.477 2.670 50 0 DFAAMO CN1CC[NH+](Cc2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000040089760 183032735 /nfs/dbraw/zinc/03/27/35/183032735.db2.gz PDWQSPNYHMJTOO-MRXNPFEDSA-N 1 1 313.445 2.729 50 0 DFAAMO O[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000040459043 183070148 /nfs/dbraw/zinc/07/01/48/183070148.db2.gz LYHWADLVONSVFH-GJZGRUSLSA-N 1 1 317.351 2.838 50 0 DFAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCc1ccccc1 ZINC000040466289 183072778 /nfs/dbraw/zinc/07/27/78/183072778.db2.gz FZOXGOJPNFKJHM-AWEZNQCLSA-N 1 1 318.442 2.570 50 0 DFAAMO COc1cc(Cl)cc(C[NH2+]CCN(C)C)c1OC(C)C ZINC000040719562 183123864 /nfs/dbraw/zinc/12/38/64/183123864.db2.gz QOHYAGPWOWIEJL-UHFFFAOYSA-N 1 1 300.830 2.787 50 0 DFAAMO Cc1ccccc1CN1CC[N@H+](C2CCCC2)C[C@H]1CCO ZINC000104418311 194006572 /nfs/dbraw/zinc/00/65/72/194006572.db2.gz QEVXMZGFQXUOEV-LJQANCHMSA-N 1 1 302.462 2.806 50 0 DFAAMO O=C(CC[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCc2ccccc21 ZINC000051997046 425883833 /nfs/dbraw/zinc/88/38/33/425883833.db2.gz ICCDHXUPESLVLR-ROUUACIJSA-N 1 1 314.429 2.609 50 0 DFAAMO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(C)nc1 ZINC000047826035 183606029 /nfs/dbraw/zinc/60/60/29/183606029.db2.gz GGAIOGIADPQLQT-UHFFFAOYSA-N 1 1 302.374 2.706 50 0 DFAAMO C[C@@H]1C[N@@H+](C)CC[C@H]1NC(=O)CCCCC(=O)c1ccccc1 ZINC000106578302 194232678 /nfs/dbraw/zinc/23/26/78/194232678.db2.gz KALWZJYXFVSXOL-NVXWUHKLSA-N 1 1 316.445 2.886 50 0 DFAAMO CC(C)OCc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000056171641 184006063 /nfs/dbraw/zinc/00/60/63/184006063.db2.gz VZNPCAPLYHUWSW-GOSISDBHSA-N 1 1 312.413 2.928 50 0 DFAAMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000057407054 184037666 /nfs/dbraw/zinc/03/76/66/184037666.db2.gz ASKCZJIZKNAJSP-HNNXBMFYSA-N 1 1 323.824 2.669 50 0 DFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000058061252 184072683 /nfs/dbraw/zinc/07/26/83/184072683.db2.gz KFTMQTFYSRLUDT-OAHLLOKOSA-N 1 1 313.445 2.947 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cccc(F)c2)C[C@@H](C)O1 ZINC000058210720 184088540 /nfs/dbraw/zinc/08/85/40/184088540.db2.gz URONCKOVQFAPRK-CPUCHLNUSA-N 1 1 320.408 2.540 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)C1 ZINC000058210397 184088555 /nfs/dbraw/zinc/08/85/55/184088555.db2.gz ISWPNFKNXRZSPG-KGLIPLIRSA-N 1 1 324.852 2.954 50 0 DFAAMO O=C(NCCc1cccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058227099 184090741 /nfs/dbraw/zinc/09/07/41/184090741.db2.gz VQPNDZKZCFNXDI-IBGZPJMESA-N 1 1 323.440 2.653 50 0 DFAAMO c1nc2c(ncnc2NCC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000058145695 184080769 /nfs/dbraw/zinc/08/07/69/184080769.db2.gz GAGIKGIVQHAGBY-UHFFFAOYSA-N 1 1 322.416 2.677 50 0 DFAAMO Cc1nn(C)c(Oc2ccccc2)c1CNC[C@H]1CCC[N@@H+]1C 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Cc1cccc(C[NH2+]Cc2c(C(C)C)nn(C)c2N(C)C)n1 ZINC000058393339 184112677 /nfs/dbraw/zinc/11/26/77/184112677.db2.gz NRROPZSKRIYIRV-UHFFFAOYSA-N 1 1 301.438 2.603 50 0 DFAAMO C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000060556247 184151912 /nfs/dbraw/zinc/15/19/12/184151912.db2.gz COABWNMOULKWTE-ZACQAIPSSA-N 1 1 318.461 2.828 50 0 DFAAMO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCCC1 ZINC000061789752 184187947 /nfs/dbraw/zinc/18/79/47/184187947.db2.gz NDHHFFCYICQUMF-UHFFFAOYSA-N 1 1 305.447 2.863 50 0 DFAAMO CC[C@@H]1C=CC[N@H+]1Cc1ccc(C(=O)Nc2cnns2)cc1 ZINC000065393788 184334650 /nfs/dbraw/zinc/33/46/50/184334650.db2.gz ZOJYVGJXUBGIOW-CQSZACIVSA-N 1 1 314.414 2.941 50 0 DFAAMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000065253003 184318741 /nfs/dbraw/zinc/31/87/41/184318741.db2.gz WWDWFIXNFOIAGE-HZPDHXFCSA-N 1 1 303.450 2.641 50 0 DFAAMO CCn1c2ncccc2nc1[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000065285351 184321372 /nfs/dbraw/zinc/32/13/72/184321372.db2.gz CZSYRIGDEAPZAH-OAHLLOKOSA-N 1 1 307.401 2.836 50 0 DFAAMO COc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c(Cl)c1OC ZINC000065288528 184323264 /nfs/dbraw/zinc/32/32/64/184323264.db2.gz WYBZHZRSGOOJOL-LLVKDONJSA-N 1 1 313.825 2.950 50 0 DFAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000065395941 184335024 /nfs/dbraw/zinc/33/50/24/184335024.db2.gz KZUHYXVOXRNAII-UHFFFAOYSA-N 1 1 311.389 2.738 50 0 DFAAMO Cc1ccc(C[N@@H+](C)Cc2cnc(N3CCOCC3)s2)o1 ZINC000065375760 184331450 /nfs/dbraw/zinc/33/14/50/184331450.db2.gz SHDYSHJUSSNFRQ-UHFFFAOYSA-N 1 1 307.419 2.513 50 0 DFAAMO Cc1ccc(C[N@H+](C)Cc2cnc(N3CCOCC3)s2)o1 ZINC000065375760 184331451 /nfs/dbraw/zinc/33/14/51/184331451.db2.gz SHDYSHJUSSNFRQ-UHFFFAOYSA-N 1 1 307.419 2.513 50 0 DFAAMO COc1cccc([C@@H]2CC[N@@H+](Cc3cccc(C)n3)C[C@H]2O)c1 ZINC000065395709 184335161 /nfs/dbraw/zinc/33/51/61/184335161.db2.gz NTHZVCBSZJFJRG-RBUKOAKNSA-N 1 1 312.413 2.749 50 0 DFAAMO COCC1(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)CCC1 ZINC000065380364 184332001 /nfs/dbraw/zinc/33/20/01/184332001.db2.gz XHPCMGCUVWQWIH-INIZCTEOSA-N 1 1 319.449 2.779 50 0 DFAAMO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)n1 ZINC000065382237 184332596 /nfs/dbraw/zinc/33/25/96/184332596.db2.gz IBFWKICOWVGNIK-CYBMUJFWSA-N 1 1 311.389 2.728 50 0 DFAAMO Cc1nc(-c2ccc(Oc3ncnc4c3C[N@@H+](C)CC4)cc2)no1 ZINC000065474231 184351389 /nfs/dbraw/zinc/35/13/89/184351389.db2.gz NNEJHTAIJJJPRJ-UHFFFAOYSA-N 1 1 323.356 2.615 50 0 DFAAMO O=C(C[N@@H+](C1CC1)C1Cc2ccccc2C1)NCc1ccco1 ZINC000065523844 184359847 /nfs/dbraw/zinc/35/98/47/184359847.db2.gz MQYWDCTVTJFYQA-UHFFFAOYSA-N 1 1 310.397 2.528 50 0 DFAAMO c1ncn(-c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)n1 ZINC000065532061 184361554 /nfs/dbraw/zinc/36/15/54/184361554.db2.gz ATMMTNRQRQKXNZ-SFHVURJKSA-N 1 1 305.385 2.999 50 0 DFAAMO Cc1ccc(NC2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1 ZINC000065585209 184368800 /nfs/dbraw/zinc/36/88/00/184368800.db2.gz WATLGWJFIKVUCQ-UHFFFAOYSA-N 1 1 315.461 2.930 50 0 DFAAMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000065610492 184373417 /nfs/dbraw/zinc/37/34/17/184373417.db2.gz ZGGLNMUQCOPILG-AWEZNQCLSA-N 1 1 304.438 2.977 50 0 DFAAMO CC1(C)C[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C(C)(C)O1 ZINC000119934080 195065001 /nfs/dbraw/zinc/06/50/01/195065001.db2.gz WPLLBTMEHRXBQI-AWEZNQCLSA-N 1 1 300.406 2.703 50 0 DFAAMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2COCCO2)cc1C ZINC000012305082 542420655 /nfs/dbraw/zinc/42/06/55/542420655.db2.gz UBPPITURTIIBFQ-KRWDZBQOSA-N 1 1 315.417 2.541 50 0 DFAAMO COc1cccc(C[N@@H+](C)C[C@H](O)COCc2cccs2)c1 ZINC000014200859 542423889 /nfs/dbraw/zinc/42/38/89/542423889.db2.gz TUUGOFRCOVOLBN-HNNXBMFYSA-N 1 1 321.442 2.766 50 0 DFAAMO C[N@H+](CCS(=O)(=O)Oc1ccccc1)Cc1ccc(F)cc1 ZINC000014200877 542423977 /nfs/dbraw/zinc/42/39/77/542423977.db2.gz QUCIZIJJYVUESG-UHFFFAOYSA-N 1 1 323.389 2.666 50 0 DFAAMO C[N@@H+](CCS(=O)(=O)Oc1ccccc1)Cc1ccc(F)cc1 ZINC000014200877 542423980 /nfs/dbraw/zinc/42/39/80/542423980.db2.gz 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/nfs/dbraw/zinc/24/23/58/182242358.db2.gz JOPIZYYGGRKSCV-UHFFFAOYSA-N 1 1 306.450 2.882 50 0 DFAAMO Cc1cccc(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000022027866 182304378 /nfs/dbraw/zinc/30/43/78/182304378.db2.gz CDOSPQRXEOEQFQ-UHFFFAOYSA-N 1 1 308.425 2.973 50 0 DFAAMO O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000222350148 304183728 /nfs/dbraw/zinc/18/37/28/304183728.db2.gz QLLGZZNGNVDVPO-AWEZNQCLSA-N 1 1 308.447 2.641 50 0 DFAAMO Cc1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc1 ZINC000039362414 183017513 /nfs/dbraw/zinc/01/75/13/183017513.db2.gz REKGHGWPVXXAJH-LJQANCHMSA-N 1 1 304.478 2.910 50 0 DFAAMO Cc1ccccc1OC[C@@H](O)CNCC1([NH+](C)C)CCCCC1 ZINC000039502315 183019709 /nfs/dbraw/zinc/01/97/09/183019709.db2.gz QNOBLAFTXRXJRC-KRWDZBQOSA-N 1 1 320.477 2.589 50 0 DFAAMO Cc1ccccc1OC[C@H](O)CNCC1([NH+](C)C)CCCCC1 ZINC000039502314 183019774 /nfs/dbraw/zinc/01/97/74/183019774.db2.gz QNOBLAFTXRXJRC-QGZVFWFLSA-N 1 1 320.477 2.589 50 0 DFAAMO CC[N@H+](Cc1ccncc1)C[C@H](O)COc1ccc(C)cc1 ZINC000040162327 183042058 /nfs/dbraw/zinc/04/20/58/183042058.db2.gz FEMGQMHBZWKKRY-KRWDZBQOSA-N 1 1 300.402 2.652 50 0 DFAAMO Cc1noc(C)c1C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000040509616 183086058 /nfs/dbraw/zinc/08/60/58/183086058.db2.gz WNPMPQMCYXUARU-JTQLQIEISA-N 1 1 319.430 2.530 50 0 DFAAMO Cc1noc(C)c1C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000040509616 183086059 /nfs/dbraw/zinc/08/60/59/183086059.db2.gz WNPMPQMCYXUARU-JTQLQIEISA-N 1 1 319.430 2.530 50 0 DFAAMO C[C@H](C(N)=O)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000040549070 183099781 /nfs/dbraw/zinc/09/97/81/183099781.db2.gz ZMZJLEWJIVBIKU-SECBINFHSA-N 1 1 307.781 2.534 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1OC ZINC000040719436 183124036 /nfs/dbraw/zinc/12/40/36/183124036.db2.gz YZDIGERRHUWHHR-AWEZNQCLSA-N 1 1 312.841 2.931 50 0 DFAAMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040719436 183124037 /nfs/dbraw/zinc/12/40/37/183124037.db2.gz YZDIGERRHUWHHR-AWEZNQCLSA-N 1 1 312.841 2.931 50 0 DFAAMO Cc1occc1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363737 183186587 /nfs/dbraw/zinc/18/65/87/183186587.db2.gz UMJFBJCXDPMLEL-UHFFFAOYSA-N 1 1 304.415 2.998 50 0 DFAAMO Cc1occc1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000041363737 183186588 /nfs/dbraw/zinc/18/65/88/183186588.db2.gz UMJFBJCXDPMLEL-UHFFFAOYSA-N 1 1 304.415 2.998 50 0 DFAAMO NC(=O)[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000041887982 183223570 /nfs/dbraw/zinc/22/35/70/183223570.db2.gz LRHMXOKSPPASOD-GOSISDBHSA-N 1 1 308.381 2.708 50 0 DFAAMO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000041887982 183223573 /nfs/dbraw/zinc/22/35/73/183223573.db2.gz LRHMXOKSPPASOD-GOSISDBHSA-N 1 1 308.381 2.708 50 0 DFAAMO C[N@H+]1CCN(Cc2ccc(OC3CCCC3)cc2)C[C@H]1CCO ZINC000104455133 194007597 /nfs/dbraw/zinc/00/75/97/194007597.db2.gz QAPFBWKILPGQHG-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@H+](Cc2ccc(OC3CCCC3)cc2)C[C@H]1CCO ZINC000104455133 194007600 /nfs/dbraw/zinc/00/76/00/194007600.db2.gz QAPFBWKILPGQHG-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO CN1CC[N@@H+](Cc2ccc(OC3CCCC3)cc2)C[C@H]1CCO ZINC000104455133 194007602 /nfs/dbraw/zinc/00/76/02/194007602.db2.gz QAPFBWKILPGQHG-QGZVFWFLSA-N 1 1 318.461 2.506 50 0 DFAAMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Oc1cccnc1 ZINC000052148384 425883908 /nfs/dbraw/zinc/88/39/08/425883908.db2.gz GDCCOHPGXAUXHF-AWEZNQCLSA-N 1 1 311.385 2.698 50 0 DFAAMO Fc1ccc(F)c(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000105805734 194134182 /nfs/dbraw/zinc/13/41/82/194134182.db2.gz QMRVFBIXMSXASB-UHFFFAOYSA-N 1 1 304.344 2.831 50 0 DFAAMO CN1CCC([N@@H+](CCO)Cc2csc3ccccc23)CC1 ZINC000105928030 194172756 /nfs/dbraw/zinc/17/27/56/194172756.db2.gz FFKIQNRBARXTRW-UHFFFAOYSA-N 1 1 304.459 2.790 50 0 DFAAMO C[NH+]1CCC(N(CCO)Cc2csc3ccccc23)CC1 ZINC000105928030 194172757 /nfs/dbraw/zinc/17/27/57/194172757.db2.gz FFKIQNRBARXTRW-UHFFFAOYSA-N 1 1 304.459 2.790 50 0 DFAAMO COc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1OC ZINC000106366985 194202755 /nfs/dbraw/zinc/20/27/55/194202755.db2.gz NTAYWEYXRUGVHP-LBPRGKRZSA-N 1 1 324.852 2.931 50 0 DFAAMO CCCCc1ccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000106577546 194232529 /nfs/dbraw/zinc/23/25/29/194232529.db2.gz TXFFWDUEHIJDKE-ROUUACIJSA-N 1 1 316.445 2.622 50 0 DFAAMO CNC(=O)c1ccc(C[N@@H+](CCc2ccccn2)C2CC2)cc1 ZINC000057995810 184065569 /nfs/dbraw/zinc/06/55/69/184065569.db2.gz NBVYWTLTUXKNDS-UHFFFAOYSA-N 1 1 309.413 2.648 50 0 DFAAMO C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(OCc2cccs2)cc1 ZINC000058209612 184087994 /nfs/dbraw/zinc/08/79/94/184087994.db2.gz QTTINFAAHBLDIG-LBPRGKRZSA-N 1 1 304.415 2.633 50 0 DFAAMO C[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(OCc2cccs2)cc1 ZINC000058209612 184087995 /nfs/dbraw/zinc/08/79/95/184087995.db2.gz QTTINFAAHBLDIG-LBPRGKRZSA-N 1 1 304.415 2.633 50 0 DFAAMO C[C@H](C(N)=O)[N@H+](C)Cc1ccc(OCc2cccs2)cc1 ZINC000058209613 184088305 /nfs/dbraw/zinc/08/83/05/184088305.db2.gz QTTINFAAHBLDIG-GFCCVEGCSA-N 1 1 304.415 2.633 50 0 DFAAMO C[C@H](C(N)=O)[N@@H+](C)Cc1ccc(OCc2cccs2)cc1 ZINC000058209613 184088307 /nfs/dbraw/zinc/08/83/07/184088307.db2.gz QTTINFAAHBLDIG-GFCCVEGCSA-N 1 1 304.415 2.633 50 0 DFAAMO COCCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000058162715 184082457 /nfs/dbraw/zinc/08/24/57/184082457.db2.gz IWVUVWCJSNWAOS-OAHLLOKOSA-N 1 1 312.841 2.876 50 0 DFAAMO COc1ccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000058291470 184100819 /nfs/dbraw/zinc/10/08/19/184100819.db2.gz KRRCLLMCUMBTLT-CQSZACIVSA-N 1 1 320.433 2.554 50 0 DFAAMO CCOc1ccc2c(c1)C[N@@H+](Cc1cccc(C(N)=O)c1)CC2 ZINC000058289959 184100938 /nfs/dbraw/zinc/10/09/38/184100938.db2.gz BBODMDMBZGOFOA-UHFFFAOYSA-N 1 1 310.397 2.743 50 0 DFAAMO CCOc1ccc2c(c1)C[N@H+](Cc1cccc(C(N)=O)c1)CC2 ZINC000058289959 184100941 /nfs/dbraw/zinc/10/09/41/184100941.db2.gz BBODMDMBZGOFOA-UHFFFAOYSA-N 1 1 310.397 2.743 50 0 DFAAMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(C)C)cc2)C1 ZINC000058405589 184113643 /nfs/dbraw/zinc/11/36/43/184113643.db2.gz KFRHFLJKNFWORK-HNNXBMFYSA-N 1 1 310.463 2.573 50 0 DFAAMO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000058405318 184113674 /nfs/dbraw/zinc/11/36/74/184113674.db2.gz WVKFLIZZYBWUEQ-BXUZGUMPSA-N 1 1 302.422 2.801 50 0 DFAAMO COC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000058433556 184118261 /nfs/dbraw/zinc/11/82/61/184118261.db2.gz OWCMBRYDWPRFDR-MFKMUULPSA-N 1 1 307.312 2.585 50 0 DFAAMO Cc1ccsc1C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000063855506 184289788 /nfs/dbraw/zinc/28/97/88/184289788.db2.gz XIFMYSQUPGFIFX-CYBMUJFWSA-N 1 1 303.431 2.828 50 0 DFAAMO COc1ccc(F)c(C[N@H+]2CCC(=O)N(CC(C)C)CC2)c1 ZINC000064058075 184292066 /nfs/dbraw/zinc/29/20/66/184292066.db2.gz RAJGERVRLNSMPE-UHFFFAOYSA-N 1 1 308.397 2.525 50 0 DFAAMO COc1ccc(F)c(C[N@@H+]2CCC(=O)N(CC(C)C)CC2)c1 ZINC000064058075 184292067 /nfs/dbraw/zinc/29/20/67/184292067.db2.gz RAJGERVRLNSMPE-UHFFFAOYSA-N 1 1 308.397 2.525 50 0 DFAAMO COc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c(Cl)c1OC ZINC000065288527 184323347 /nfs/dbraw/zinc/32/33/47/184323347.db2.gz WYBZHZRSGOOJOL-NSHDSACASA-N 1 1 313.825 2.950 50 0 DFAAMO CNc1cc[nH+]c(N2CC[C@H](c3cc(OC)ccc3OC)C2)n1 ZINC000065395221 184335077 /nfs/dbraw/zinc/33/50/77/184335077.db2.gz WSIUKDHNKVUNDX-LBPRGKRZSA-N 1 1 314.389 2.529 50 0 DFAAMO c1cc(-c2cc([C@@H]3CC[N@H+](Cc4cncnc4)C3)ccn2)ccn1 ZINC000065370699 184329527 /nfs/dbraw/zinc/32/95/27/184329527.db2.gz LTFQQHZYVDCJMG-GOSISDBHSA-N 1 1 317.396 2.923 50 0 DFAAMO CCNc1ccnc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000065372198 184330197 /nfs/dbraw/zinc/33/01/97/184330197.db2.gz NKYQJRDPACLGGV-AWEZNQCLSA-N 1 1 312.417 2.969 50 0 DFAAMO C[C@H](CN1CCN(C)CC1)[NH2+]Cc1ccc2sccc2c1 ZINC000065380286 184332185 /nfs/dbraw/zinc/33/21/85/184332185.db2.gz GPPKACYTGUSIPP-CQSZACIVSA-N 1 1 303.475 2.627 50 0 DFAAMO c1cncc(OCCC[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000065406952 184338840 /nfs/dbraw/zinc/33/88/40/184338840.db2.gz AKRVHJUDGZZINK-FUHWJXTLSA-N 1 1 303.450 2.705 50 0 DFAAMO Cc1cc(C)nc(N[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)n1 ZINC000065408195 184339400 /nfs/dbraw/zinc/33/94/00/184339400.db2.gz HJQKZEFPQLSURY-MRXNPFEDSA-N 1 1 312.417 2.876 50 0 DFAAMO CCc1nc(C)c(C[N@H+](C)Cc2ccc3nsnc3c2)[nH]1 ZINC000065433466 184344147 /nfs/dbraw/zinc/34/41/47/184344147.db2.gz RURFFNYTALEZAK-UHFFFAOYSA-N 1 1 301.419 2.917 50 0 DFAAMO CCc1nc(C)c(C[N@@H+](C)Cc2ccc3nsnc3c2)[nH]1 ZINC000065433466 184344148 /nfs/dbraw/zinc/34/41/48/184344148.db2.gz RURFFNYTALEZAK-UHFFFAOYSA-N 1 1 301.419 2.917 50 0 DFAAMO O=c1c2ccc[nH]c-2cn1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065461301 184348817 /nfs/dbraw/zinc/34/88/17/184348817.db2.gz FYIPJDJCEFHPNV-INIZCTEOSA-N 1 1 307.397 2.702 50 0 DFAAMO Cc1[nH+]ccn1CCCNC(=O)NCC1(c2ccccc2)CC1 ZINC000065476164 184352103 /nfs/dbraw/zinc/35/21/03/184352103.db2.gz LKGMJFIWEGYETQ-UHFFFAOYSA-N 1 1 312.417 2.613 50 0 DFAAMO CCOCCOc1ccccc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000065554007 184365274 /nfs/dbraw/zinc/36/52/74/184365274.db2.gz TTXFYKDHUYWGJM-UHFFFAOYSA-N 1 1 322.449 2.562 50 0 DFAAMO Cc1csc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000065553224 184365612 /nfs/dbraw/zinc/36/56/12/184365612.db2.gz NWTXHAYPQXIQBF-ZDUSSCGKSA-N 1 1 310.467 2.515 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Oc1cccnc1 ZINC000052148382 425884020 /nfs/dbraw/zinc/88/40/20/425884020.db2.gz GDCCOHPGXAUXHF-CQSZACIVSA-N 1 1 311.385 2.698 50 0 DFAAMO O=C1NC2(CCCC2)C(=O)N1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000014307756 296362949 /nfs/dbraw/zinc/36/29/49/296362949.db2.gz KKUIXXXQHVHHHM-HNNXBMFYSA-N 1 1 313.401 2.646 50 0 DFAAMO O=C1NC2(CCCC2)C(=O)N1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000014307756 296362951 /nfs/dbraw/zinc/36/29/51/296362951.db2.gz KKUIXXXQHVHHHM-HNNXBMFYSA-N 1 1 313.401 2.646 50 0 DFAAMO Cc1ncoc1C(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012315530 542422035 /nfs/dbraw/zinc/42/20/35/542422035.db2.gz HQGUXRJRQWWGPY-CQSZACIVSA-N 1 1 305.422 2.900 50 0 DFAAMO C[C@@H](CNC(=O)CC[C@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000046243590 542438998 /nfs/dbraw/zinc/43/89/98/542438998.db2.gz KPQSAEQTDFCMKY-DZGCQCFKSA-N 1 1 322.474 2.570 50 0 DFAAMO C[C@@H](CNC(=O)CC[C@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000046243590 542439002 /nfs/dbraw/zinc/43/90/02/542439002.db2.gz KPQSAEQTDFCMKY-DZGCQCFKSA-N 1 1 322.474 2.570 50 0 DFAAMO CCc1[nH]c([C@H]2CC(=O)Nc3c2cnn3-c2ccccc2)c(C)[nH+]1 ZINC000067725949 542459310 /nfs/dbraw/zinc/45/93/10/542459310.db2.gz DUHOPEJNSMQZLH-ZDUSSCGKSA-N 1 1 321.384 2.940 50 0 DFAAMO CC(C)Cc1noc([C@@H](C)[NH2+]C2CSCCSC2)n1 ZINC000067726318 542459545 /nfs/dbraw/zinc/45/95/45/542459545.db2.gz NWLKZRNFJWFBOZ-SNVBAGLBSA-N 1 1 301.481 2.767 50 0 DFAAMO CCc1oc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1CN(CC)CC ZINC000055042560 542451843 /nfs/dbraw/zinc/45/18/43/542451843.db2.gz YNRMOMRMSVCVSF-OAHLLOKOSA-N 1 1 321.465 2.637 50 0 DFAAMO CNc1ncccc1C[N@H+](CCO)Cc1ccc(SC)cc1 ZINC000055053642 542453150 /nfs/dbraw/zinc/45/31/50/542453150.db2.gz QMOCWKMMZMFAEB-UHFFFAOYSA-N 1 1 317.458 2.840 50 0 DFAAMO CNc1ncccc1C[N@@H+](CCO)Cc1ccc(SC)cc1 ZINC000055053642 542453154 /nfs/dbraw/zinc/45/31/54/542453154.db2.gz QMOCWKMMZMFAEB-UHFFFAOYSA-N 1 1 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COc1cccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000012363334 425723033 /nfs/dbraw/zinc/72/30/33/425723033.db2.gz VKOHRYRBRDSBHI-IYBDPMFKSA-N 1 1 318.461 2.769 50 0 DFAAMO Fc1ccccc1N1CC[NH+](Cn2cnc3ccccc32)CC1 ZINC000012360486 425723285 /nfs/dbraw/zinc/72/32/85/425723285.db2.gz DIYGKEYLBCIHRK-UHFFFAOYSA-N 1 1 310.376 2.955 50 0 DFAAMO CCc1ccc2c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000012537843 425729671 /nfs/dbraw/zinc/72/96/71/425729671.db2.gz DNKSPBPNNSTGTN-BETUJISGSA-N 1 1 301.386 2.965 50 0 DFAAMO CCc1ccc2c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc(=O)oc2c1 ZINC000012537843 425729672 /nfs/dbraw/zinc/72/96/72/425729672.db2.gz DNKSPBPNNSTGTN-BETUJISGSA-N 1 1 301.386 2.965 50 0 DFAAMO CC[N@H+](Cc1cccc(F)c1)Cc1cc(=O)n2ccsc2n1 ZINC000014139485 425768167 /nfs/dbraw/zinc/76/81/67/425768167.db2.gz LHCUZBRHBCYSNS-UHFFFAOYSA-N 1 1 317.389 2.917 50 0 DFAAMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(=O)n2ccsc2n1 ZINC000014139485 425768169 /nfs/dbraw/zinc/76/81/69/425768169.db2.gz 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C[NH+](C)C1(CNC(=O)c2n[nH]c3ccccc32)CCCCCC1 ZINC000032719930 425839235 /nfs/dbraw/zinc/83/92/35/425839235.db2.gz VYELOSGIEWYXOU-UHFFFAOYSA-N 1 1 314.433 2.947 50 0 DFAAMO Cc1cn2c(nc(C[N@H+](C)Cc3ccc(F)cc3)cc2=O)s1 ZINC000033068962 425841281 /nfs/dbraw/zinc/84/12/81/425841281.db2.gz BTBSYIMUIHFPDD-UHFFFAOYSA-N 1 1 317.389 2.836 50 0 DFAAMO Cc1cn2c(nc(C[N@@H+](C)Cc3ccc(F)cc3)cc2=O)s1 ZINC000033068962 425841282 /nfs/dbraw/zinc/84/12/82/425841282.db2.gz BTBSYIMUIHFPDD-UHFFFAOYSA-N 1 1 317.389 2.836 50 0 DFAAMO Cc1cc2[nH+]c(NCCO)n(CC(=O)c3ccccc3)c2cc1C ZINC000035165562 425843255 /nfs/dbraw/zinc/84/32/55/425843255.db2.gz AHGYFAFHRFZVBZ-UHFFFAOYSA-N 1 1 323.396 2.940 50 0 DFAAMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccn4)C3)nc2c1 ZINC000035446780 425844195 /nfs/dbraw/zinc/84/41/95/425844195.db2.gz UEWHMKCGFXPYAN-ZDUSSCGKSA-N 1 1 308.385 2.956 50 0 biogenic,in-vitro DFAAMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccccn4)C3)[nH]c2c1 ZINC000035446780 425844196 /nfs/dbraw/zinc/84/41/96/425844196.db2.gz 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CC(C)c1noc(-c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)nc2)n1 ZINC000039447796 425851069 /nfs/dbraw/zinc/85/10/69/425851069.db2.gz KTTCSAMJMIBZRB-CQSZACIVSA-N 1 1 313.405 2.539 50 0 DFAAMO C[C@@H](CNC(=O)Nc1nccs1)[N@H+]1CCc2ccccc2C1 ZINC000040096104 425851133 /nfs/dbraw/zinc/85/11/33/425851133.db2.gz PFICHTBFDUIZLS-LBPRGKRZSA-N 1 1 316.430 2.711 50 0 DFAAMO COc1cc(CNC[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1OC ZINC000044533185 425856871 /nfs/dbraw/zinc/85/68/71/425856871.db2.gz GQOYIJSQURYOLJ-LBPRGKRZSA-N 1 1 312.841 2.789 50 0 DFAAMO COCc1cccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000046954145 425867185 /nfs/dbraw/zinc/86/71/85/425867185.db2.gz HBXKFYGLEZVHBB-GJZGRUSLSA-N 1 1 304.434 2.683 50 0 DFAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000046995071 425867401 /nfs/dbraw/zinc/86/74/01/425867401.db2.gz USMMKZMZFFRFAK-GXTWGEPZSA-N 1 1 301.415 2.653 50 0 DFAAMO COc1ccccc1C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000047385390 425869454 /nfs/dbraw/zinc/86/94/54/425869454.db2.gz XSCAUVLSOFSLSJ-UHFFFAOYSA-N 1 1 308.341 2.837 50 0 DFAAMO O=C1NCCCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000048314312 425874446 /nfs/dbraw/zinc/87/44/46/425874446.db2.gz UZTGUUAVYVOYPK-AWEZNQCLSA-N 1 1 319.405 2.708 50 0 DFAAMO CC(C)c1ccc(C[N@@H+](CCCC(=O)NC(N)=O)C2CC2)cc1 ZINC000048345930 425874562 /nfs/dbraw/zinc/87/45/62/425874562.db2.gz WFDSRZBPVFAJTG-UHFFFAOYSA-N 1 1 317.433 2.750 50 0 DFAAMO Cc1ccccc1OCCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000048363173 425875023 /nfs/dbraw/zinc/87/50/23/425875023.db2.gz YCKTXGHJZIGRTM-UHFFFAOYSA-N 1 1 319.430 2.791 50 0 DFAAMO Cc1ccccc1OCCC[N@H+](C)CC(=O)Nc1nccs1 ZINC000048363173 425875024 /nfs/dbraw/zinc/87/50/24/425875024.db2.gz YCKTXGHJZIGRTM-UHFFFAOYSA-N 1 1 319.430 2.791 50 0 DFAAMO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CCOCC3)C2)o1 ZINC000049170570 425878897 /nfs/dbraw/zinc/87/88/97/425878897.db2.gz SKINQGDYEJVLMA-LBPRGKRZSA-N 1 1 317.364 2.844 50 0 biogenic,in-vitro DFAAMO OCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000050104687 425881193 /nfs/dbraw/zinc/88/11/93/425881193.db2.gz LFWQBDKGSRHTOF-UHFFFAOYSA-N 1 1 302.187 2.793 50 0 DFAAMO O=C(CCCOCc1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000050580931 425882237 /nfs/dbraw/zinc/88/22/37/425882237.db2.gz QHCQSONDWYODCQ-ZWKOTPCHSA-N 1 1 316.445 2.726 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000106925118 425981356 /nfs/dbraw/zinc/98/13/56/425981356.db2.gz XVBRMLQZCYQQIH-JSGCOSHPSA-N 1 1 310.825 2.708 50 0 DFAAMO CC(C)[N@@H+]1CCCn2nc(C(=O)N3Cc4ccccc4C3)cc2C1 ZINC000071278725 425984860 /nfs/dbraw/zinc/98/48/60/425984860.db2.gz CUZMTFOYOWYYQC-UHFFFAOYSA-N 1 1 324.428 2.653 50 0 DFAAMO CC(C)[N@H+]1CCCn2nc(C(=O)N3Cc4ccccc4C3)cc2C1 ZINC000071278725 425984863 /nfs/dbraw/zinc/98/48/63/425984863.db2.gz CUZMTFOYOWYYQC-UHFFFAOYSA-N 1 1 324.428 2.653 50 0 DFAAMO Cc1ccc(-c2ccnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2)c(C)n1 ZINC000071388711 425986168 /nfs/dbraw/zinc/98/61/68/425986168.db2.gz YJGXEFVVYMPCKV-MRXNPFEDSA-N 1 1 323.444 2.830 50 0 DFAAMO Cn1c(SC[C@H]2CCC[N@@H+](C)C2)nnc1-c1cccs1 ZINC000071804189 425990170 /nfs/dbraw/zinc/99/01/70/425990170.db2.gz ZLUNRUPFKIQAPD-NSHDSACASA-N 1 1 308.476 2.978 50 0 DFAAMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797328 425990340 /nfs/dbraw/zinc/99/03/40/425990340.db2.gz KARQVCNNCKLSCT-WMLDXEAASA-N 1 1 324.428 2.535 50 0 DFAAMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797328 425990343 /nfs/dbraw/zinc/99/03/43/425990343.db2.gz KARQVCNNCKLSCT-WMLDXEAASA-N 1 1 324.428 2.535 50 0 DFAAMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000071844033 425994216 /nfs/dbraw/zinc/99/42/16/425994216.db2.gz QOSBXTHCCPOYPQ-CYBMUJFWSA-N 1 1 312.360 2.588 50 0 DFAAMO Cc1ncc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C)nn3)C2)s1 ZINC000071859819 425995577 /nfs/dbraw/zinc/99/55/77/425995577.db2.gz POVAXSXKCIGTDA-CQSZACIVSA-N 1 1 317.462 2.651 50 0 DFAAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccccn2)C1 ZINC000071857166 425995764 /nfs/dbraw/zinc/99/57/64/425995764.db2.gz 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DFAAMO CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000095383501 426371179 /nfs/dbraw/zinc/37/11/79/426371179.db2.gz PZYZFFNCOOHDJI-SFHVURJKSA-N 1 1 324.424 2.758 50 0 DFAAMO CC(C)c1noc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)n1 ZINC000095387595 426371388 /nfs/dbraw/zinc/37/13/88/426371388.db2.gz YHILWDMHSPKEBG-JKSUJKDBSA-N 1 1 318.465 2.889 50 0 DFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(F)cc1F)C2 ZINC000095383970 426371476 /nfs/dbraw/zinc/37/14/76/426371476.db2.gz DVZVPDNWNDTKIJ-TZMCWYRMSA-N 1 1 308.372 2.911 50 0 DFAAMO CC(C)(C)[C@H]([NH2+]Cc1ccccc1)c1nc(-c2nc[nH]n2)no1 ZINC000095432575 426371854 /nfs/dbraw/zinc/37/18/54/426371854.db2.gz KYVFMNQFVQCTHF-GFCCVEGCSA-N 1 1 312.377 2.732 50 0 DFAAMO C[N@@H+](CCc1cnccn1)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000095458258 426373106 /nfs/dbraw/zinc/37/31/06/426373106.db2.gz XBUXZVXNCLZZDR-UHFFFAOYSA-N 1 1 319.792 2.576 50 0 DFAAMO Cc1noc(C)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000095951805 426376462 /nfs/dbraw/zinc/37/64/62/426376462.db2.gz BLJJYHDDHBGNOR-IEBWSBKVSA-N 1 1 311.429 2.998 50 0 DFAAMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000095951805 426376464 /nfs/dbraw/zinc/37/64/64/426376464.db2.gz BLJJYHDDHBGNOR-IEBWSBKVSA-N 1 1 311.429 2.998 50 0 DFAAMO Cc1noc(C)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000095951805 426376466 /nfs/dbraw/zinc/37/64/66/426376466.db2.gz BLJJYHDDHBGNOR-IEBWSBKVSA-N 1 1 311.429 2.998 50 0 DFAAMO Cc1noc(C)c1CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000095956443 426376831 /nfs/dbraw/zinc/37/68/31/426376831.db2.gz WIUWAEUKQBTERJ-INIZCTEOSA-N 1 1 301.390 2.553 50 0 DFAAMO Cc1cc(C(=O)N2CCC[N@H+](C3CCOCC3)CC2)c(C)s1 ZINC000095960639 426377097 /nfs/dbraw/zinc/37/70/97/426377097.db2.gz VOSSPJCFUPRLFR-UHFFFAOYSA-N 1 1 322.474 2.692 50 0 DFAAMO C[N@@H+](C[C@H]1CCCO1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095964047 426378374 /nfs/dbraw/zinc/37/83/74/426378374.db2.gz CGXWPHOZZBAEFI-YMAMQOFZSA-N 1 1 312.454 2.933 50 0 DFAAMO CN(C)c1nc(N(C)Cc2nc3c(s2)CCCC3)cc[nH+]1 ZINC000095963239 426378666 /nfs/dbraw/zinc/37/86/66/426378666.db2.gz ZTYPRPKKHHQNKO-UHFFFAOYSA-N 1 1 303.435 2.514 50 0 DFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](C(N)=O)c2ccccc2)C1 ZINC000095967226 426379692 /nfs/dbraw/zinc/37/96/92/426379692.db2.gz GHVHSASVRDVIQM-MNEFBYGVSA-N 1 1 323.440 2.638 50 0 DFAAMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](C(N)=O)c2ccccc2)C1 ZINC000095967226 426379694 /nfs/dbraw/zinc/37/96/94/426379694.db2.gz GHVHSASVRDVIQM-MNEFBYGVSA-N 1 1 323.440 2.638 50 0 DFAAMO O=C(c1ccoc1)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000095982474 426382313 /nfs/dbraw/zinc/38/23/13/426382313.db2.gz WVDVDIXFVHVVOH-UHFFFAOYSA-N 1 1 309.369 2.719 50 0 DFAAMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000095984370 426382858 /nfs/dbraw/zinc/38/28/58/426382858.db2.gz SNVMBSLLKDABOF-LLVKDONJSA-N 1 1 324.833 2.989 50 0 DFAAMO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000095985413 426384409 /nfs/dbraw/zinc/38/44/09/426384409.db2.gz SIKKVEYTVOJZSP-CYBMUJFWSA-N 1 1 308.397 2.743 50 0 DFAAMO COCc1noc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000095992447 426384665 /nfs/dbraw/zinc/38/46/65/426384665.db2.gz DHOGVFLHKAHAPS-CQSZACIVSA-N 1 1 305.353 2.562 50 0 DFAAMO COCc1noc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000095992447 426384667 /nfs/dbraw/zinc/38/46/67/426384667.db2.gz DHOGVFLHKAHAPS-CQSZACIVSA-N 1 1 305.353 2.562 50 0 DFAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCSC(C)(C)C)C1 ZINC000095996335 426386279 /nfs/dbraw/zinc/38/62/79/426386279.db2.gz UFRRAEJQTYEDEV-ZIAGYGMSSA-N 1 1 313.511 2.644 50 0 DFAAMO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cccc(F)c1)CCC2 ZINC000096002709 426386321 /nfs/dbraw/zinc/38/63/21/426386321.db2.gz CPVOBTIFJGBVPH-INIZCTEOSA-N 1 1 303.381 2.836 50 0 DFAAMO CCCCc1nc(N2CCC(n3cncn3)CC2)cc(C)[nH+]1 ZINC000096011555 426388295 /nfs/dbraw/zinc/38/82/95/426388295.db2.gz DAQXQNXEUBTKGQ-UHFFFAOYSA-N 1 1 300.410 2.561 50 0 DFAAMO O=C(C[N@H+]1CCC[C@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000096405525 426415120 /nfs/dbraw/zinc/41/51/20/426415120.db2.gz IXCQKNWKBMLBEN-KRWDZBQOSA-N 1 1 313.376 2.674 50 0 DFAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccc(F)c1)NCc1cccnc1 ZINC000096405525 426415124 /nfs/dbraw/zinc/41/51/24/426415124.db2.gz IXCQKNWKBMLBEN-KRWDZBQOSA-N 1 1 313.376 2.674 50 0 DFAAMO C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)[O-])CCN1Cc1ccccc1 ZINC000176915416 426423999 /nfs/dbraw/zinc/42/39/99/426423999.db2.gz DTVJTTTYELPIST-NVXWUHKLSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@@H]1C[C@H]([NH+](C)CCCC(=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000176915416 426424001 /nfs/dbraw/zinc/42/40/01/426424001.db2.gz DTVJTTTYELPIST-NVXWUHKLSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@@H]1C[C@H]([NH+](C)CCCC(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000176915416 426424003 /nfs/dbraw/zinc/42/40/03/426424003.db2.gz DTVJTTTYELPIST-NVXWUHKLSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@@H]1C[C@H]([N@H+](C)CCCC(=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000176915416 426424006 /nfs/dbraw/zinc/42/40/06/426424006.db2.gz DTVJTTTYELPIST-NVXWUHKLSA-N 1 1 304.434 2.836 50 0 DFAAMO C[C@@H]1C[C@H]([N@@H+](C)CCCC(=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000176915416 426424011 /nfs/dbraw/zinc/42/40/11/426424011.db2.gz DTVJTTTYELPIST-NVXWUHKLSA-N 1 1 304.434 2.836 50 0 DFAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000096434598 426424171 /nfs/dbraw/zinc/42/41/71/426424171.db2.gz SAJIRYGZVIUJDQ-GFCCVEGCSA-N 1 1 308.426 2.778 50 0 DFAAMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@H]1CC=CCC1 ZINC000096436841 426424425 /nfs/dbraw/zinc/42/44/25/426424425.db2.gz HPJAVGCADKZCQB-ZWKOTPCHSA-N 1 1 314.429 2.502 50 0 DFAAMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@H]1CC=CCC1 ZINC000096436841 426424426 /nfs/dbraw/zinc/42/44/26/426424426.db2.gz HPJAVGCADKZCQB-ZWKOTPCHSA-N 1 1 314.429 2.502 50 0 DFAAMO CN(C)c1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444975 426427161 /nfs/dbraw/zinc/42/71/61/426427161.db2.gz WVMYXLHPPPNVKY-SJORKVTESA-N 1 1 324.490 2.540 50 0 DFAAMO CN(C)c1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000096444975 426427165 /nfs/dbraw/zinc/42/71/65/426427165.db2.gz WVMYXLHPPPNVKY-SJORKVTESA-N 1 1 324.490 2.540 50 0 DFAAMO Cc1csc(C(C)(C)[NH2+]CC(=O)NCc2sccc2C)n1 ZINC000096443394 426427230 /nfs/dbraw/zinc/42/72/30/426427230.db2.gz MXBGHNIGZVDETJ-UHFFFAOYSA-N 1 1 323.487 2.963 50 0 DFAAMO Cc1cnc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000096445748 426428324 /nfs/dbraw/zinc/42/83/24/426428324.db2.gz WOCRPJCCJJAFOB-IBGZPJMESA-N 1 1 310.445 2.881 50 0 DFAAMO C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000097085966 426447578 /nfs/dbraw/zinc/44/75/78/426447578.db2.gz YYADRGRMJINQLV-SNVBAGLBSA-N 1 1 309.207 2.810 50 0 DFAAMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000097084343 426447609 /nfs/dbraw/zinc/44/76/09/426447609.db2.gz PUDOQYPDCGRPNR-GFCCVEGCSA-N 1 1 322.836 2.752 50 0 DFAAMO CCn1nc(C)c(C[NH+]2CCN(c3ccccc3O)CC2)c1C ZINC000096489439 426434661 /nfs/dbraw/zinc/43/46/61/426434661.db2.gz DKIZVMVTMHZZLO-UHFFFAOYSA-N 1 1 314.433 2.548 50 0 DFAAMO Cc1cccc(N2CC[NH+](Cc3cnc4ncccn34)CC2)c1C ZINC000096489445 426434769 /nfs/dbraw/zinc/43/47/69/426434769.db2.gz KOXQBLZRNQHCML-UHFFFAOYSA-N 1 1 321.428 2.668 50 0 DFAAMO CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1ccc(OC)cc1 ZINC000096492874 426435659 /nfs/dbraw/zinc/43/56/59/426435659.db2.gz DSHAIKMWMGMPRU-RHSMWYFYSA-N 1 1 304.434 2.599 50 0 DFAAMO CC[C@H](C)Oc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)ccn1 ZINC000096495018 426436868 /nfs/dbraw/zinc/43/68/68/426436868.db2.gz JSHGUJDXYGJFDQ-HNNXBMFYSA-N 1 1 319.449 2.815 50 0 DFAAMO C[C@H](Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C1(C)CC1 ZINC000097037533 426441389 /nfs/dbraw/zinc/44/13/89/426441389.db2.gz WJYVOJURANTVFR-HNNXBMFYSA-N 1 1 315.461 2.604 50 0 DFAAMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1ccc(CN2CCCC2=O)cc1 ZINC000097037298 426442088 /nfs/dbraw/zinc/44/20/88/426442088.db2.gz VTXATRQPTBVQMA-RKVPGOIHSA-N 1 1 315.461 2.950 50 0 DFAAMO C[NH+]1CCC(CNc2ncccc2F)(N2CCCCC2)CC1 ZINC000097103468 426449181 /nfs/dbraw/zinc/44/91/81/426449181.db2.gz WXNIDMAHLYWAQX-UHFFFAOYSA-N 1 1 306.429 2.583 50 0 DFAAMO CCNC(=O)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000097102994 426449629 /nfs/dbraw/zinc/44/96/29/426449629.db2.gz HDTBTFCEZBMZLO-UHFFFAOYSA-N 1 1 308.179 2.545 50 0 DFAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000097136988 426453357 /nfs/dbraw/zinc/45/33/57/426453357.db2.gz RZJYOEIPCAKLJN-GFCCVEGCSA-N 1 1 316.323 2.686 50 0 DFAAMO CC[N@H+]1CCC[C@@H](C(=O)NCCCSCc2ccco2)C1 ZINC000097137486 426452612 /nfs/dbraw/zinc/45/26/12/426452612.db2.gz POFTWBOEZCTZIJ-CQSZACIVSA-N 1 1 310.463 2.751 50 0 DFAAMO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000097228940 426459925 /nfs/dbraw/zinc/45/99/25/426459925.db2.gz LYXIHSYTHXUIAB-RDTXWAMCSA-N 1 1 310.397 2.519 50 0 DFAAMO COc1ccc(OCC2CC[NH+](Cc3ncc[nH]3)CC2)cc1 ZINC000097301357 426462701 /nfs/dbraw/zinc/46/27/01/426462701.db2.gz FXANKROUBNQJRZ-UHFFFAOYSA-N 1 1 301.390 2.709 50 0 DFAAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000097376975 426465794 /nfs/dbraw/zinc/46/57/94/426465794.db2.gz QKVHWKKLSWRAMQ-OAHLLOKOSA-N 1 1 311.429 2.810 50 0 DFAAMO COCC[NH2+][C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000097495048 426467553 /nfs/dbraw/zinc/46/75/53/426467553.db2.gz DCSWSUAFVDAYHX-QGZVFWFLSA-N 1 1 314.385 2.611 50 0 DFAAMO COCc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2(C)C)s1 ZINC000097532645 426468600 /nfs/dbraw/zinc/46/86/00/426468600.db2.gz ZPLDAGDGOGEBDO-GFCCVEGCSA-N 1 1 310.463 2.697 50 0 DFAAMO CCOc1ccccc1CCNC(=O)C[C@@H]1CCCC[N@H+]1C ZINC000097499707 426468928 /nfs/dbraw/zinc/46/89/28/426468928.db2.gz DJQSEYHAFJVYBK-INIZCTEOSA-N 1 1 304.434 2.618 50 0 DFAAMO CC(C)Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)on1 ZINC000097546701 426469400 /nfs/dbraw/zinc/46/94/00/426469400.db2.gz KLKFCOUTYZOOHL-INIZCTEOSA-N 1 1 313.401 2.660 50 0 DFAAMO CCN(CC)CC[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000097759142 426474658 /nfs/dbraw/zinc/47/46/58/426474658.db2.gz VJOXKQGHVHBQTL-UHFFFAOYSA-N 1 1 314.429 2.713 50 0 DFAAMO Cc1[nH+]ccn1CCCNC(=O)/C=C\c1cn(C)c2ccccc12 ZINC000098013883 426475246 /nfs/dbraw/zinc/47/52/46/426475246.db2.gz HPLOICATYSSTOP-HJWRWDBZSA-N 1 1 322.412 2.903 50 0 DFAAMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)c(O)co2)C12CCCCC2 ZINC000098013279 426475788 /nfs/dbraw/zinc/47/57/88/426475788.db2.gz AKYNVEFIWXWNNV-SJORKVTESA-N 1 1 321.417 2.905 50 0 DFAAMO CCc1nc(C)sc1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000215005958 426549057 /nfs/dbraw/zinc/54/90/57/426549057.db2.gz RVBCGHCVPOQIPK-NSHDSACASA-N 1 1 307.463 2.713 50 0 DFAAMO CCc1nc(C)sc1C(=O)N1CC([N@H+]2CCCC[C@@H]2C)C1 ZINC000215005958 426549060 /nfs/dbraw/zinc/54/90/60/426549060.db2.gz RVBCGHCVPOQIPK-NSHDSACASA-N 1 1 307.463 2.713 50 0 DFAAMO CCn1ncnc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000215274276 426549422 /nfs/dbraw/zinc/54/94/22/426549422.db2.gz COJNPMRVVPERKD-UHFFFAOYSA-N 1 1 302.397 2.892 50 0 DFAAMO CC(=O)c1cc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)n(C)c1 ZINC000215470070 426552720 /nfs/dbraw/zinc/55/27/20/426552720.db2.gz FCUNHDHESOZWQW-IBGZPJMESA-N 1 1 311.429 2.716 50 0 DFAAMO CC(=O)c1cc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)n(C)c1 ZINC000215470070 426552723 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COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000225728845 426609836 /nfs/dbraw/zinc/60/98/36/426609836.db2.gz KAPIVUUDACDPIY-AEFFLSMTSA-N 1 1 323.396 2.651 50 0 DFAAMO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cn3ccccc3n2)c1 ZINC000225728845 426609842 /nfs/dbraw/zinc/60/98/42/426609842.db2.gz KAPIVUUDACDPIY-AEFFLSMTSA-N 1 1 323.396 2.651 50 0 DFAAMO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2cncc(F)c2)c1 ZINC000225727804 426610463 /nfs/dbraw/zinc/61/04/63/426610463.db2.gz BDBHRUHNJGYUKA-DOTOQJQBSA-N 1 1 302.349 2.537 50 0 DFAAMO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2cncc(F)c2)c1 ZINC000225727804 426610470 /nfs/dbraw/zinc/61/04/70/426610470.db2.gz BDBHRUHNJGYUKA-DOTOQJQBSA-N 1 1 302.349 2.537 50 0 DFAAMO CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(CN(C)C(=O)O2)C1 ZINC000215918395 426555604 /nfs/dbraw/zinc/55/56/04/426555604.db2.gz OMIWUOJFTKRIDL-SFHVURJKSA-N 1 1 313.401 2.688 50 0 DFAAMO CCc1ccc(C[N@H+]2CCCC[C@H]2CCN2CC[NH+](C)CC2)o1 ZINC000216257245 426556468 /nfs/dbraw/zinc/55/64/68/426556468.db2.gz 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O=c1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc2ccccn12 ZINC000025441427 182414747 /nfs/dbraw/zinc/41/47/47/182414747.db2.gz AYNNHHMSEXSDDP-SFHVURJKSA-N 1 1 319.408 2.902 50 0 DFAAMO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000027681555 182487256 /nfs/dbraw/zinc/48/72/56/182487256.db2.gz DCQOHXRTLDTCKG-NSHDSACASA-N 1 1 323.393 2.620 50 0 DFAAMO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000027681555 182487257 /nfs/dbraw/zinc/48/72/57/182487257.db2.gz DCQOHXRTLDTCKG-NSHDSACASA-N 1 1 323.393 2.620 50 0 DFAAMO CC(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000051420392 425883237 /nfs/dbraw/zinc/88/32/37/425883237.db2.gz MRSWDTWEEJVJQO-UHFFFAOYSA-N 1 1 315.417 2.568 50 0 DFAAMO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000284776443 218173139 /nfs/dbraw/zinc/17/31/39/218173139.db2.gz XVSTYTYBFVMMEF-YESZJQIVSA-N 1 1 301.386 2.795 50 0 DFAAMO O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cc2ccccc2o1 ZINC000284776443 218173142 /nfs/dbraw/zinc/17/31/42/218173142.db2.gz 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194225449 /nfs/dbraw/zinc/22/54/49/194225449.db2.gz KBMWVEPXSQDNMS-UONOGXRCSA-N 1 1 309.479 2.710 50 0 DFAAMO CO[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000106576812 194232502 /nfs/dbraw/zinc/23/25/02/194232502.db2.gz SXURFYADUFNWTL-RDJZCZTQSA-N 1 1 304.434 2.611 50 0 DFAAMO CCN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106575549 194232510 /nfs/dbraw/zinc/23/25/10/194232510.db2.gz WTMZFMAWSYKQON-ZBFHGGJFSA-N 1 1 312.417 2.707 50 0 DFAAMO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106575549 194232513 /nfs/dbraw/zinc/23/25/13/194232513.db2.gz WTMZFMAWSYKQON-ZBFHGGJFSA-N 1 1 312.417 2.707 50 0 DFAAMO CCN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000106575549 194232516 /nfs/dbraw/zinc/23/25/16/194232516.db2.gz WTMZFMAWSYKQON-ZBFHGGJFSA-N 1 1 312.417 2.707 50 0 DFAAMO CCc1nc(C[NH2+]CCNC(=O)c2ccc(C)cc2)cs1 ZINC000049591356 183745411 /nfs/dbraw/zinc/74/54/11/183745411.db2.gz UDTHWKDGRUBRAG-UHFFFAOYSA-N 1 1 303.431 2.534 50 0 DFAAMO CC(C)OCc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000056171640 184005859 /nfs/dbraw/zinc/00/58/59/184005859.db2.gz VZNPCAPLYHUWSW-SFHVURJKSA-N 1 1 312.413 2.928 50 0 DFAAMO CC[NH+]1CCN(C(=O)c2c3c(nc4ccccc42)CCC3)CC1 ZINC000057121049 184027545 /nfs/dbraw/zinc/02/75/45/184027545.db2.gz SBFSSQYYCOHAQT-UHFFFAOYSA-N 1 1 309.413 2.501 50 0 DFAAMO COC(=O)[C@H]([NH3+])CSc1cc(C)nc2ccc(Cl)cc21 ZINC000057312164 184033098 /nfs/dbraw/zinc/03/30/98/184033098.db2.gz VNSNOGUMHXMVER-LLVKDONJSA-N 1 1 310.806 2.789 50 0 DFAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)NCCc1cccs1 ZINC000058068060 184073093 /nfs/dbraw/zinc/07/30/93/184073093.db2.gz GUNMFLDUDLCVAY-INIZCTEOSA-N 1 1 317.458 2.582 50 0 DFAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)NCCc1cccs1 ZINC000058068060 184073094 /nfs/dbraw/zinc/07/30/94/184073094.db2.gz GUNMFLDUDLCVAY-INIZCTEOSA-N 1 1 317.458 2.582 50 0 DFAAMO CC(C)c1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)nn1C(C)(C)C ZINC000058166922 184083064 /nfs/dbraw/zinc/08/30/64/184083064.db2.gz 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Cc1ccc(C(C)C)c(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013155024 425750594 /nfs/dbraw/zinc/75/05/94/425750594.db2.gz XTOKLWGMMJVQST-IXDOHACOSA-N 1 1 321.461 2.967 50 0 DFAAMO Cc1ccc(C(C)C)c(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013155024 425750598 /nfs/dbraw/zinc/75/05/98/425750598.db2.gz XTOKLWGMMJVQST-IXDOHACOSA-N 1 1 321.461 2.967 50 0 DFAAMO CC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 ZINC000013708549 425760449 /nfs/dbraw/zinc/76/04/49/425760449.db2.gz PBHPWDOVJYYTKP-HNNXBMFYSA-N 1 1 312.413 2.771 50 0 DFAAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)n(-c2ccccc2)n1 ZINC000014119883 425765946 /nfs/dbraw/zinc/76/59/46/425765946.db2.gz RXWFNITXNRHHHQ-HNNXBMFYSA-N 1 1 312.417 2.994 50 0 DFAAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)n(-c2ccccc2)n1 ZINC000014119883 425765948 /nfs/dbraw/zinc/76/59/48/425765948.db2.gz RXWFNITXNRHHHQ-HNNXBMFYSA-N 1 1 312.417 2.994 50 0 DFAAMO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000044893135 425858299 /nfs/dbraw/zinc/85/82/99/425858299.db2.gz OLJUCDHVCNBYBD-ZDUSSCGKSA-N 1 1 317.389 2.889 50 0 DFAAMO COc1ccc(OCc2noc(C[N@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000044893135 425858300 /nfs/dbraw/zinc/85/83/00/425858300.db2.gz OLJUCDHVCNBYBD-ZDUSSCGKSA-N 1 1 317.389 2.889 50 0 DFAAMO CN(Cc1ccsc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000044891201 425858426 /nfs/dbraw/zinc/85/84/26/425858426.db2.gz ICKBVWWNEFKUKV-CYBMUJFWSA-N 1 1 307.419 2.785 50 0 DFAAMO Cc1noc([C@@H](C)[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000045914020 425863292 /nfs/dbraw/zinc/86/32/92/425863292.db2.gz GWJMPYVJTHYZPM-WBMJQRKESA-N 1 1 301.390 2.885 50 0 DFAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)N2CCC[C@@H](C)C2)ccn1 ZINC000046101859 425864260 /nfs/dbraw/zinc/86/42/60/425864260.db2.gz LIOLPQSVTREULA-CYBMUJFWSA-N 1 1 313.405 2.517 50 0 DFAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)NC2CC2)c(OC)c1 ZINC000026908092 425814297 /nfs/dbraw/zinc/81/42/97/425814297.db2.gz KGNOLHFQQOINKS-MRXNPFEDSA-N 1 1 318.417 2.509 50 0 DFAAMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000028727220 425822711 /nfs/dbraw/zinc/82/27/11/425822711.db2.gz HSOJPOYBAWASBR-AWEZNQCLSA-N 1 1 318.442 2.835 50 0 DFAAMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000030318954 425830844 /nfs/dbraw/zinc/83/08/44/425830844.db2.gz FMRGZUHQAZFNFX-UHFFFAOYSA-N 1 1 316.351 2.753 50 0 DFAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(F)ccc1F ZINC000030318954 425830846 /nfs/dbraw/zinc/83/08/46/425830846.db2.gz FMRGZUHQAZFNFX-UHFFFAOYSA-N 1 1 316.351 2.753 50 0 DFAAMO Cc1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)n1 ZINC000032401229 425838418 /nfs/dbraw/zinc/83/84/18/425838418.db2.gz WIXXFWUKABSQRD-UHFFFAOYSA-N 1 1 309.413 2.568 50 0 DFAAMO O=C(Cc1cccc(F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000032732063 425839407 /nfs/dbraw/zinc/83/94/07/425839407.db2.gz PLVWUGJFMUZLNE-SFHVURJKSA-N 1 1 312.388 2.759 50 0 DFAAMO Cc1ccccc1OCC[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000032806027 425839844 /nfs/dbraw/zinc/83/98/44/425839844.db2.gz CDMPQRXZIDULSE-UHFFFAOYSA-N 1 1 323.396 2.514 50 0 DFAAMO C[C@H]1C[NH+](C[C@H](O)COc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000033286999 425841868 /nfs/dbraw/zinc/84/18/68/425841868.db2.gz ONKTVYGKKCZWNY-MPGHIAIKSA-N 1 1 315.413 2.689 50 0 DFAAMO c1csc(-c2n[nH]cc2CNC2CC[NH+](C3CC3)CC2)c1 ZINC000035054463 425843007 /nfs/dbraw/zinc/84/30/07/425843007.db2.gz ZYGKPQIDXIGKCO-UHFFFAOYSA-N 1 1 302.447 2.855 50 0 DFAAMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000035337294 425844061 /nfs/dbraw/zinc/84/40/61/425844061.db2.gz NXJPEXSGQYEABT-GXTWGEPZSA-N 1 1 316.351 2.746 50 0 DFAAMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000035446783 425844302 /nfs/dbraw/zinc/84/43/02/425844302.db2.gz BQYQQHSQVURSSJ-AWEZNQCLSA-N 1 1 308.385 2.956 50 0 biogenic,in-vitro DFAAMO COc1ccc2nc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]c2c1 ZINC000035446783 425844303 /nfs/dbraw/zinc/84/43/03/425844303.db2.gz BQYQQHSQVURSSJ-AWEZNQCLSA-N 1 1 308.385 2.956 50 0 biogenic,in-vitro DFAAMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]c2c1 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426203562 /nfs/dbraw/zinc/20/35/62/426203562.db2.gz OMSFEEMOSYPMSC-LLVKDONJSA-N 1 1 322.630 2.542 50 0 DFAAMO O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000078551274 426174979 /nfs/dbraw/zinc/17/49/79/426174979.db2.gz HUXNYSIPBBSWBP-SICOMBFOSA-N 1 1 320.458 2.594 50 0 DFAAMO Cc1cccc(C)c1OC1CN(C(=O)[C@H]2CCCCC[N@@H+]2C)C1 ZINC000082092905 426227252 /nfs/dbraw/zinc/22/72/52/426227252.db2.gz DPUASBAIQBFWPZ-QGZVFWFLSA-N 1 1 316.445 2.767 50 0 DFAAMO CCc1nnc(C[N@H+](C[C@H]2CCCO2)C2CCC(C)CC2)n1C ZINC000173864348 426249459 /nfs/dbraw/zinc/24/94/59/426249459.db2.gz VQHXWMGWOWKXKP-UYSNPLJNSA-N 1 1 320.481 2.937 50 0 DFAAMO CCc1nnc(C[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)n1C ZINC000173864348 426249461 /nfs/dbraw/zinc/24/94/61/426249461.db2.gz VQHXWMGWOWKXKP-UYSNPLJNSA-N 1 1 320.481 2.937 50 0 DFAAMO O=C(NC[C@H]1C[C@H]1c1ccccc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000089827973 426311803 /nfs/dbraw/zinc/31/18/03/426311803.db2.gz QCEATJSNYZPMFP-LESCRADOSA-N 1 1 313.445 2.574 50 0 DFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000089930512 426319803 /nfs/dbraw/zinc/31/98/03/426319803.db2.gz UMRYCMNZEPJYOI-OLZOCXBDSA-N 1 1 313.854 2.772 50 0 DFAAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cnc(Cl)s1 ZINC000089930512 426319805 /nfs/dbraw/zinc/31/98/05/426319805.db2.gz UMRYCMNZEPJYOI-OLZOCXBDSA-N 1 1 313.854 2.772 50 0 DFAAMO C[C@@H]1C[N@H+](CCC2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000089930304 426320156 /nfs/dbraw/zinc/32/01/56/426320156.db2.gz YXFJDYBIHYYYGS-BETUJISGSA-N 1 1 308.388 2.760 50 0 DFAAMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc2c(c1)CCCC2 ZINC000089930207 426320239 /nfs/dbraw/zinc/32/02/39/426320239.db2.gz PYTFEOVDNZNYQF-GASCZTMLSA-N 1 1 300.446 2.659 50 0 DFAAMO Cn1cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(-c2ccncc2)n1 ZINC000121271361 426330299 /nfs/dbraw/zinc/33/02/99/426330299.db2.gz CKWWKHYTUVLADT-HNNXBMFYSA-N 1 1 322.416 2.585 50 0 DFAAMO CCc1ccc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)o1 ZINC000096149583 426401179 /nfs/dbraw/zinc/40/11/79/426401179.db2.gz 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Cc1cc(C)c2c(ncnc2N2CCC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000095378774 426368889 /nfs/dbraw/zinc/36/88/89/426368889.db2.gz WDFZORVIFVLNMU-GOSISDBHSA-N 1 1 311.433 2.564 50 0 DFAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(F)c1F)C2 ZINC000095372352 426369162 /nfs/dbraw/zinc/36/91/62/426369162.db2.gz IGAPKLCVPMLWLF-CHWSQXEVSA-N 1 1 308.372 2.911 50 0 DFAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CC(OCc3ccccc3)C2)C1 ZINC000095379894 426371117 /nfs/dbraw/zinc/37/11/17/426371117.db2.gz VLMYAMUMOUXRKR-INIZCTEOSA-N 1 1 316.445 2.536 50 0 DFAAMO COc1c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(C)nn1C ZINC000095939238 426375439 /nfs/dbraw/zinc/37/54/39/426375439.db2.gz DYNYDEXTUIVRCN-UHFFFAOYSA-N 1 1 321.808 2.615 50 0 DFAAMO C[N@H+]1CCCN(c2nc(C(F)(F)F)nc3ccsc32)CC1 ZINC000095949013 426376675 /nfs/dbraw/zinc/37/66/75/426376675.db2.gz WYSJGYXJCXQYOX-UHFFFAOYSA-N 1 1 316.352 2.852 50 0 DFAAMO Cc1oc(-c2cccs2)nc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000095955524 426376868 /nfs/dbraw/zinc/37/68/68/426376868.db2.gz KZPAOUPPUIAQQR-LLVKDONJSA-N 1 1 305.403 2.536 50 0 DFAAMO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000095956500 426377297 /nfs/dbraw/zinc/37/72/97/426377297.db2.gz AOSRUBCWYIZUTH-HNNXBMFYSA-N 1 1 303.406 2.704 50 0 DFAAMO CC(C)C(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000095956500 426377300 /nfs/dbraw/zinc/37/73/00/426377300.db2.gz AOSRUBCWYIZUTH-HNNXBMFYSA-N 1 1 303.406 2.704 50 0 DFAAMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000095957456 426377604 /nfs/dbraw/zinc/37/76/04/426377604.db2.gz GARBIIIOFHSHSV-OAHLLOKOSA-N 1 1 313.405 2.675 50 0 DFAAMO C[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)Oc1ccccc1F ZINC000095962508 426378903 /nfs/dbraw/zinc/37/89/03/426378903.db2.gz VSYJNGNCOOSWNK-BARDWOONSA-N 1 1 322.424 2.971 50 0 DFAAMO FC(F)(F)c1ccc(Cl)c(C[NH2+]CCc2nc[nH]n2)c1 ZINC000095973542 426380476 /nfs/dbraw/zinc/38/04/76/426380476.db2.gz FAFQOUWZYNXYPT-UHFFFAOYSA-N 1 1 304.703 2.809 50 0 DFAAMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000095999958 426385983 /nfs/dbraw/zinc/38/59/83/426385983.db2.gz GGSAAWLIXXFJHY-INIZCTEOSA-N 1 1 312.417 2.790 50 0 DFAAMO Cc1cc2[nH]c(C(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)cc2c(C)c1 ZINC000095995451 426386198 /nfs/dbraw/zinc/38/61/98/426386198.db2.gz SDNDDLHSOPLSIE-KSSFIOAISA-N 1 1 311.429 2.951 50 0 DFAAMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@@H+]1Cc1ccn(C)c1 ZINC000096003624 426387255 /nfs/dbraw/zinc/38/72/55/426387255.db2.gz XQMPYSMIYUJVKS-KGLIPLIRSA-N 1 1 307.438 2.855 50 0 DFAAMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1Cc1ccn(C)c1 ZINC000096003624 426387258 /nfs/dbraw/zinc/38/72/58/426387258.db2.gz XQMPYSMIYUJVKS-KGLIPLIRSA-N 1 1 307.438 2.855 50 0 DFAAMO O=C1CN2C(=[NH+]c3cc(Cl)ccc3[C@H]2c2ccccc2)CN1 ZINC000096024249 426388013 /nfs/dbraw/zinc/38/80/13/426388013.db2.gz COOSSEDDSUWJFJ-QGZVFWFLSA-N 1 1 311.772 2.905 50 0 DFAAMO O=C(/C=C\c1c(F)cccc1F)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000096297443 426412342 /nfs/dbraw/zinc/41/23/42/426412342.db2.gz FWFZSFWLVDFMGP-DGMVEKRQSA-N 1 1 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C[N@H+]1CCC[C@H]1CCNC(=O)Nc1cccc(-c2c[nH]cn2)c1 ZINC000426700120 257244739 /nfs/dbraw/zinc/24/47/39/257244739.db2.gz XPOACDRXAUPKNL-HNNXBMFYSA-N 1 1 313.405 2.683 50 0 DFAAMO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)ccn1C ZINC000426537802 257247128 /nfs/dbraw/zinc/24/71/28/257247128.db2.gz WRXSHWNUPGCBKS-HNNXBMFYSA-N 1 1 315.417 2.569 50 0 DFAAMO CCn1cc(CN(CC(C)C)C(=O)[C@@H](C)n2cc[nH+]c2C)cn1 ZINC000426477143 257249711 /nfs/dbraw/zinc/24/97/11/257249711.db2.gz BICXWMBMEXPQJB-CQSZACIVSA-N 1 1 317.437 2.654 50 0 DFAAMO Cc1cccc(C)c1OC1CN(C(=O)C[C@H]2CCCC[N@@H+]2C)C1 ZINC000426429766 257250634 /nfs/dbraw/zinc/25/06/34/257250634.db2.gz HJZKHGNANPAAJP-MRXNPFEDSA-N 1 1 316.445 2.767 50 0 DFAAMO CCC[N@H+](Cc1nc(C(=O)OC)co1)[C@H]1C[C@H](OCC)C1(C)C ZINC000408519488 257255389 /nfs/dbraw/zinc/25/53/89/257255389.db2.gz GVZGYEMOFXMCCH-KBPBESRZSA-N 1 1 324.421 2.877 50 0 DFAAMO CCC[N@@H+](Cc1nc(C(=O)OC)co1)[C@H]1C[C@H](OCC)C1(C)C ZINC000408519488 257255390 /nfs/dbraw/zinc/25/53/90/257255390.db2.gz GVZGYEMOFXMCCH-KBPBESRZSA-N 1 1 324.421 2.877 50 0 DFAAMO CC1(C)C[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000408517277 257255394 /nfs/dbraw/zinc/25/53/94/257255394.db2.gz FLQVFENROQCGGN-IAGOWNOFSA-N 1 1 316.445 2.582 50 0 DFAAMO COc1cccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000089470022 257271592 /nfs/dbraw/zinc/27/15/92/257271592.db2.gz FPAMROMRJMASDT-GOSISDBHSA-N 1 1 310.397 2.758 50 0 DFAAMO COc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000089470022 257271593 /nfs/dbraw/zinc/27/15/93/257271593.db2.gz FPAMROMRJMASDT-GOSISDBHSA-N 1 1 310.397 2.758 50 0 DFAAMO CC[N@@H+](C)[C@H]1CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1 ZINC000170088750 542756507 /nfs/dbraw/zinc/75/65/07/542756507.db2.gz LZVMWTKFVHXZEL-AWEZNQCLSA-N 1 1 323.444 2.558 50 0 DFAAMO CN(C)c1ccc(CN(C)Cc2ccccc2C[NH+](C)C)cn1 ZINC000216085982 542874320 /nfs/dbraw/zinc/87/43/20/542874320.db2.gz CMIMBLRHEMPKKM-UHFFFAOYSA-N 1 1 312.461 2.841 50 0 DFAAMO CCCn1ccnc1C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000216049293 542874420 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50 0 DFAAMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000095951804 426376231 /nfs/dbraw/zinc/37/62/31/426376231.db2.gz BLJJYHDDHBGNOR-PKOBYXMFSA-N 1 1 311.429 2.998 50 0 DFAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000095951804 426376234 /nfs/dbraw/zinc/37/62/34/426376234.db2.gz BLJJYHDDHBGNOR-PKOBYXMFSA-N 1 1 311.429 2.998 50 0 DFAAMO Cc1cc2ncnc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c2cc1C ZINC000095945043 426376245 /nfs/dbraw/zinc/37/62/45/426376245.db2.gz ZFRSCLHIKYHLCP-HNNXBMFYSA-N 1 1 312.417 2.522 50 0 DFAAMO Cc1cc2ncnc(NC[C@H]3C[N@H+](C4CC4)CCO3)c2cc1C ZINC000095945043 426376249 /nfs/dbraw/zinc/37/62/49/426376249.db2.gz ZFRSCLHIKYHLCP-HNNXBMFYSA-N 1 1 312.417 2.522 50 0 DFAAMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000096012785 426388393 /nfs/dbraw/zinc/38/83/93/426388393.db2.gz UWBAVIXUAHTHRX-IEBWSBKVSA-N 1 1 323.440 2.776 50 0 DFAAMO CC[N@H+]1CCCN(c2nnc(Cc3ccccc3F)s2)CC1 ZINC000096009723 426388639 /nfs/dbraw/zinc/38/86/39/426388639.db2.gz PWEKDFBCIANLOR-UHFFFAOYSA-N 1 1 320.437 2.800 50 0 DFAAMO Oc1cccc(CNC2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000096402784 426414593 /nfs/dbraw/zinc/41/45/93/426414593.db2.gz RHQKRRHAQKRARF-UHFFFAOYSA-N 1 1 311.429 2.584 50 0 DFAAMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000096412554 426417022 /nfs/dbraw/zinc/41/70/22/426417022.db2.gz JJPBNVWYZWEOGU-IRXDYDNUSA-N 1 1 320.433 2.648 50 0 DFAAMO C[C@@H]1C[C@H](N(C)Cc2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000096414932 426417911 /nfs/dbraw/zinc/41/79/11/426417911.db2.gz NULWCOLXZRRKEF-SJLPKXTDSA-N 1 1 312.461 2.905 50 0 DFAAMO Cc1cccc(NC2CC[NH+](Cc3cc(=O)c(O)co3)CC2)c1 ZINC000096421201 426420742 /nfs/dbraw/zinc/42/07/42/426420742.db2.gz HVMJTHJWANCISH-UHFFFAOYSA-N 1 1 314.385 2.730 50 0 DFAAMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccn[nH]1 ZINC000096423839 426420934 /nfs/dbraw/zinc/42/09/34/426420934.db2.gz YRXANCZKSKOTRU-UHFFFAOYSA-N 1 1 324.384 2.565 50 0 DFAAMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccn[nH]1 ZINC000096423839 426420936 /nfs/dbraw/zinc/42/09/36/426420936.db2.gz YRXANCZKSKOTRU-UHFFFAOYSA-N 1 1 324.384 2.565 50 0 DFAAMO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000097085977 426447208 /nfs/dbraw/zinc/44/72/08/426447208.db2.gz SQOAOMOXZCRAAI-MRXNPFEDSA-N 1 1 322.474 2.767 50 0 DFAAMO O=C1OCCN1CC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000096441655 426425812 /nfs/dbraw/zinc/42/58/12/426425812.db2.gz GZZFHRXGIQAMFO-AWEZNQCLSA-N 1 1 306.431 2.553 50 0 DFAAMO O=C1CCCCN1CC1CC[NH+](Cc2cccnc2Cl)CC1 ZINC000096443404 426426837 /nfs/dbraw/zinc/42/68/37/426426837.db2.gz CVEKDTHIYBWNMM-UHFFFAOYSA-N 1 1 321.852 2.960 50 0 DFAAMO CCN(C(=O)C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000096443445 426426905 /nfs/dbraw/zinc/42/69/05/426426905.db2.gz GHKSRCZTGOCCHD-JQHSSLGASA-N 1 1 316.445 2.785 50 0 DFAAMO O=c1cc(C[NH+]2CCC(c3ccc(F)cc3)CC2)occ1O ZINC000096459547 426430764 /nfs/dbraw/zinc/43/07/64/426430764.db2.gz VIEHZUPXHLNZBP-UHFFFAOYSA-N 1 1 303.333 2.864 50 0 DFAAMO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491284 426435356 /nfs/dbraw/zinc/43/53/56/426435356.db2.gz IDXPHEUFTGJFRC-GDBMZVCRSA-N 1 1 317.433 2.778 50 0 DFAAMO C[C@@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(N2CCOC2=O)c1 ZINC000096491284 426435358 /nfs/dbraw/zinc/43/53/58/426435358.db2.gz IDXPHEUFTGJFRC-GDBMZVCRSA-N 1 1 317.433 2.778 50 0 DFAAMO COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000096500525 426436600 /nfs/dbraw/zinc/43/66/00/426436600.db2.gz UGVZJCIXEAHTGK-MRXNPFEDSA-N 1 1 309.793 2.739 50 0 DFAAMO COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000097034028 426440748 /nfs/dbraw/zinc/44/07/48/426440748.db2.gz KELHDDJEHLWLSG-QGPMSJSTSA-N 1 1 316.445 2.789 50 0 DFAAMO CC(C)c1[nH+]ccn1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000123628492 426443928 /nfs/dbraw/zinc/44/39/28/426443928.db2.gz OUEXRGGEWBLARK-UHFFFAOYSA-N 1 1 302.765 2.716 50 0 DFAAMO Cc1oncc1C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000097103507 426449428 /nfs/dbraw/zinc/44/94/28/426449428.db2.gz FWEGAWXDOYGYQU-CQSZACIVSA-N 1 1 309.410 2.814 50 0 DFAAMO CCc1ccc([C@@H](CO)[NH2+]Cc2nc3c(nccc3C)[nH]2)cc1 ZINC000097103368 426449789 /nfs/dbraw/zinc/44/97/89/426449789.db2.gz RYKMUQKSMAAOPG-OAHLLOKOSA-N 1 1 310.401 2.652 50 0 DFAAMO CC[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160171 426454900 /nfs/dbraw/zinc/45/49/00/426454900.db2.gz RFMDXJAJCBSRIP-AWEZNQCLSA-N 1 1 302.422 2.800 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000097160171 426454904 /nfs/dbraw/zinc/45/49/04/426454904.db2.gz RFMDXJAJCBSRIP-AWEZNQCLSA-N 1 1 302.422 2.800 50 0 DFAAMO CC(=O)N1CC[NH+](Cc2ccc(N[C@H](C)CC3CC3)cc2)CC1 ZINC000097162206 426454941 /nfs/dbraw/zinc/45/49/41/426454941.db2.gz CPANAQYJYVGQSA-OAHLLOKOSA-N 1 1 315.461 2.951 50 0 DFAAMO C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202957 426459430 /nfs/dbraw/zinc/45/94/30/426459430.db2.gz ITHGVRIGEGTMBN-LBPRGKRZSA-N 1 1 323.400 2.587 50 0 DFAAMO Cc1nc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c(C)s1 ZINC000097295064 426463033 /nfs/dbraw/zinc/46/30/33/426463033.db2.gz IROWYKUESMIBPX-CQSZACIVSA-N 1 1 301.415 2.547 50 0 DFAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NC1(c2cc(F)ccc2F)CC1 ZINC000097475033 426467993 /nfs/dbraw/zinc/46/79/93/426467993.db2.gz AFPHZMNBSZKMNI-OAHLLOKOSA-N 1 1 308.372 2.945 50 0 DFAAMO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1Cn1cccn1 ZINC000097575041 426468448 /nfs/dbraw/zinc/46/84/48/426468448.db2.gz DYWLFSXZMIKUGN-UHFFFAOYSA-N 1 1 321.428 2.775 50 0 DFAAMO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1Cn1cccn1 ZINC000097575041 426468453 /nfs/dbraw/zinc/46/84/53/426468453.db2.gz DYWLFSXZMIKUGN-UHFFFAOYSA-N 1 1 321.428 2.775 50 0 DFAAMO C[C@H](Cc1cnccn1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000097574907 426469301 /nfs/dbraw/zinc/46/93/01/426469301.db2.gz HRVOQBADMUDPMK-GFCCVEGCSA-N 1 1 302.447 2.875 50 0 DFAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000097574907 426469303 /nfs/dbraw/zinc/46/93/03/426469303.db2.gz HRVOQBADMUDPMK-GFCCVEGCSA-N 1 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427335437 /nfs/dbraw/zinc/33/54/37/427335437.db2.gz YGOYYHGAGZYQIK-QAPCUYQASA-N 1 1 324.428 2.703 50 0 DFAAMO Cc1cc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 ZINC000257366429 427335443 /nfs/dbraw/zinc/33/54/43/427335443.db2.gz YGOYYHGAGZYQIK-QAPCUYQASA-N 1 1 324.428 2.703 50 0 DFAAMO Cc1cc([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C2)n[nH]1 ZINC000257366429 427335448 /nfs/dbraw/zinc/33/54/48/427335448.db2.gz YGOYYHGAGZYQIK-QAPCUYQASA-N 1 1 324.428 2.703 50 0 DFAAMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000191231630 427291793 /nfs/dbraw/zinc/29/17/93/427291793.db2.gz PKWHIJVDBMNSHT-KRWDZBQOSA-N 1 1 302.418 2.576 50 0 DFAAMO Cc1cc(F)ccc1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263523233 427507086 /nfs/dbraw/zinc/50/70/86/427507086.db2.gz RZIHZNLSVRMLTO-MRXNPFEDSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263523233 427507089 /nfs/dbraw/zinc/50/70/89/427507089.db2.gz RZIHZNLSVRMLTO-MRXNPFEDSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263523233 427507095 /nfs/dbraw/zinc/50/70/95/427507095.db2.gz RZIHZNLSVRMLTO-MRXNPFEDSA-N 1 1 308.397 2.505 50 0 DFAAMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263523233 427507100 /nfs/dbraw/zinc/50/71/00/427507100.db2.gz RZIHZNLSVRMLTO-MRXNPFEDSA-N 1 1 308.397 2.505 50 0 DFAAMO O=C([O-])c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000263572621 427523216 /nfs/dbraw/zinc/52/32/16/427523216.db2.gz LDRHXRRNFGJZLE-MRXNPFEDSA-N 1 1 302.418 2.693 50 0 DFAAMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000343843183 272228767 /nfs/dbraw/zinc/22/87/67/272228767.db2.gz BNAHSMQRUSXMJZ-JTQLQIEISA-N 1 1 313.327 2.542 50 0 DFAAMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000343843183 272228770 /nfs/dbraw/zinc/22/87/70/272228770.db2.gz BNAHSMQRUSXMJZ-JTQLQIEISA-N 1 1 313.327 2.542 50 0 DFAAMO C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000299233734 427762740 /nfs/dbraw/zinc/76/27/40/427762740.db2.gz IVUUWMGWSDBRJH-PVAVHDDUSA-N 1 1 307.434 2.624 50 0 DFAAMO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H](c2ccccc2)O1 ZINC000299233734 427762743 /nfs/dbraw/zinc/76/27/43/427762743.db2.gz IVUUWMGWSDBRJH-PVAVHDDUSA-N 1 1 307.434 2.624 50 0 DFAAMO CO[C@]12CC[N@@H+](Cc3nc4c(s3)CCCC4)[C@H]1C[C@@H](O)CC2 ZINC000299777294 427769295 /nfs/dbraw/zinc/76/92/95/427769295.db2.gz JMHZDWKVDNEDCJ-YLQAJVPDSA-N 1 1 322.474 2.526 50 0 DFAAMO C[NH+]1CCN(c2ncnc3c4cc(Cl)ccc4oc32)CC1 ZINC000002554424 273901510 /nfs/dbraw/zinc/90/15/10/273901510.db2.gz VUWKQWOFKSEXGA-UHFFFAOYSA-N 1 1 302.765 2.781 50 0 DFAAMO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222791244 274190496 /nfs/dbraw/zinc/19/04/96/274190496.db2.gz QEQNRCZGGIZBAK-NSHDSACASA-N 1 1 305.809 2.797 50 0 DFAAMO C[C@@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc2cc(Cl)ccc2n1 ZINC000222791244 274190497 /nfs/dbraw/zinc/19/04/97/274190497.db2.gz QEQNRCZGGIZBAK-NSHDSACASA-N 1 1 305.809 2.797 50 0 DFAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000019594783 274350123 /nfs/dbraw/zinc/35/01/23/274350123.db2.gz ONKTVYGKKCZWNY-IIDMSEBBSA-N 1 1 315.413 2.689 50 0 DFAAMO Nc1nc(-c2ccncc2)[nH+]c(N)c1Cc1ccc(Cl)cc1 ZINC000196306174 274965660 /nfs/dbraw/zinc/96/56/60/274965660.db2.gz QGNFUZFZFDNRQF-UHFFFAOYSA-N 1 1 311.776 2.947 50 0 DFAAMO OCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067654555 275047376 /nfs/dbraw/zinc/04/73/76/275047376.db2.gz INNQHBLIPJZRQA-UHFFFAOYSA-N 1 1 319.788 2.899 50 0 DFAAMO OCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067654555 275047377 /nfs/dbraw/zinc/04/73/77/275047377.db2.gz INNQHBLIPJZRQA-UHFFFAOYSA-N 1 1 319.788 2.899 50 0 DFAAMO C(C1CCC2(CC1)OCCO2)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000253432405 275389988 /nfs/dbraw/zinc/38/99/88/275389988.db2.gz YOZHKGCYXCHGAP-KRWDZBQOSA-N 1 1 309.450 2.668 50 0 DFAAMO Cc1ccc2ccccc2c1C[N@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000583617959 430411395 /nfs/dbraw/zinc/41/13/95/430411395.db2.gz 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ZINC000075093108 290030476 /nfs/dbraw/zinc/03/04/76/290030476.db2.gz VWIXUCBBKWQWGP-UHFFFAOYSA-N 1 1 307.825 2.826 50 0 DFAAMO OCc1ccc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)o1 ZINC000174369385 315963535 /nfs/dbraw/zinc/96/35/35/315963535.db2.gz VHSLOKLOBPCRKT-UHFFFAOYSA-N 1 1 315.417 2.837 50 0 DFAAMO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1Cl ZINC000097370731 323209620 /nfs/dbraw/zinc/20/96/20/323209620.db2.gz BNQMHWKXYSQHSN-UHFFFAOYSA-N 1 1 309.797 2.712 50 0 DFAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000092028348 332117916 /nfs/dbraw/zinc/11/79/16/332117916.db2.gz ZDLQCABBBPDHRD-LJQANCHMSA-N 1 1 322.493 2.820 50 0 DFAAMO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000534639329 334310510 /nfs/dbraw/zinc/31/05/10/334310510.db2.gz WOMXWVFTEKZBKS-QGZVFWFLSA-N 1 1 314.433 2.718 50 0 DFAAMO Cc1ncc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734669 /nfs/dbraw/zinc/73/46/69/534734669.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 1 1 316.474 2.971 50 0 DFAAMO Cc1ncc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734676 /nfs/dbraw/zinc/73/46/76/534734676.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 1 1 316.474 2.971 50 0 DFAAMO Cc1ncc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)s1 ZINC000328642095 534734686 /nfs/dbraw/zinc/73/46/86/534734686.db2.gz QVANLCFEXRARAP-RDJZCZTQSA-N 1 1 316.474 2.971 50 0 DFAAMO Cc1csc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328645150 534814837 /nfs/dbraw/zinc/81/48/37/534814837.db2.gz SADLOVVALDHTSU-HOCLYGCPSA-N 1 1 302.447 2.629 50 0 DFAAMO Cc1csc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)n1 ZINC000328645150 534814839 /nfs/dbraw/zinc/81/48/39/534814839.db2.gz SADLOVVALDHTSU-HOCLYGCPSA-N 1 1 302.447 2.629 50 0 DFAAMO CC(C)OCCC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000328632205 527935217 /nfs/dbraw/zinc/93/52/17/527935217.db2.gz LDORXUZVXWVNKG-ROUUACIJSA-N 1 1 305.466 2.821 50 0 DFAAMO Fc1ccc([C@H]2CCNC[C@H]2[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000685940012 546411929 /nfs/dbraw/zinc/41/19/29/546411929.db2.gz KIYDVBLDCKDQPF-IEBWSBKVSA-N 1 1 324.403 2.937 50 0 DFAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC000169751696 563897125 /nfs/dbraw/zinc/89/71/25/563897125.db2.gz MTQQWURXWMGDMN-OAHLLOKOSA-N 1 1 305.422 2.562 50 0 DFAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC000169751696 563897127 /nfs/dbraw/zinc/89/71/27/563897127.db2.gz MTQQWURXWMGDMN-OAHLLOKOSA-N 1 1 305.422 2.562 50 0 DFAAMO C[NH+]1CCN(C(=O)N2CCCC[C@H](c3ccccc3)C2)CC1 ZINC000390825881 563915630 /nfs/dbraw/zinc/91/56/30/563915630.db2.gz LYSHQZXZBHDLKH-KRWDZBQOSA-N 1 1 301.434 2.624 50 0 DFAAMO OCc1ccc(C[NH+]2CCC(O)(c3ccccc3Cl)CC2)o1 ZINC000278311316 214083724 /nfs/dbraw/zinc/08/37/24/214083724.db2.gz FICJOGSHKDPBEJ-UHFFFAOYSA-N 1 1 321.804 2.909 50 0 DFAAMO CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)o1 ZINC000229914683 398355819 /nfs/dbraw/zinc/35/58/19/398355819.db2.gz JEOFKKUKNYNYNR-HZPDHXFCSA-N 1 1 317.433 2.769 50 0 DFAAMO Cc1ncn(C)c1C(=O)NCC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000299766620 282224825 /nfs/dbraw/zinc/22/48/25/282224825.db2.gz RBNWQNKXRRLTCI-MRXNPFEDSA-N 1 1 318.465 2.646 50 0 DFAAMO CCOC(=O)CCCC[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000095399810 185353966 /nfs/dbraw/zinc/35/39/66/185353966.db2.gz ZPEQNRQFWUGDSK-UHFFFAOYSA-N 1 1 319.327 2.520 50 0 DFAAMO COc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1F ZINC000095428237 185362431 /nfs/dbraw/zinc/36/24/31/185362431.db2.gz WYWOKPPAHWIYMU-HNNXBMFYSA-N 1 1 302.349 2.883 50 0 DFAAMO COc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1F ZINC000095428238 185362459 /nfs/dbraw/zinc/36/24/59/185362459.db2.gz WYWOKPPAHWIYMU-OAHLLOKOSA-N 1 1 302.349 2.883 50 0 DFAAMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccnn1 ZINC000095436767 185365116 /nfs/dbraw/zinc/36/51/16/185365116.db2.gz BSYIFTFGKPICRM-UHFFFAOYSA-N 1 1 313.405 2.509 50 0 DFAAMO CCN1CCC([NH+]2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000016663308 398402142 /nfs/dbraw/zinc/40/21/42/398402142.db2.gz XUBSOGKQTVLJNW-UHFFFAOYSA-N 1 1 301.478 2.910 50 0 DFAAMO C[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc(-n2cccn2)c1 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C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccncc1Cl ZINC000584894521 398429408 /nfs/dbraw/zinc/42/94/08/398429408.db2.gz ACAXXDGQTJAPMA-AWEZNQCLSA-N 1 1 315.804 2.522 50 0 DFAAMO Cc1[nH+]ccn1CCN(C)C(=O)NC1(c2ccccc2C)CC1 ZINC000584899915 398429754 /nfs/dbraw/zinc/42/97/54/398429754.db2.gz WYTIJQHULARNBO-UHFFFAOYSA-N 1 1 312.417 2.831 50 0 DFAAMO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000067412443 398434202 /nfs/dbraw/zinc/43/42/02/398434202.db2.gz NCLJLIIEMUIDCU-MRXNPFEDSA-N 1 1 304.434 2.822 50 0 DFAAMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)[C@@H]1CC=CCC1 ZINC000328641902 529955070 /nfs/dbraw/zinc/95/50/70/529955070.db2.gz YFXCASITFIPKTI-NJAFHUGGSA-N 1 1 313.445 2.889 50 0 DFAAMO C[N@H+](CC(=O)N(c1ccccn1)C1CCCC1)[C@H]1CCSC1 ZINC000097085789 282342204 /nfs/dbraw/zinc/34/22/04/282342204.db2.gz WKGQAADNNBEHHJ-HNNXBMFYSA-N 1 1 319.474 2.795 50 0 DFAAMO C[N@@H+](CC(=O)N(c1ccccn1)C1CCCC1)[C@H]1CCSC1 ZINC000097085789 282342206 /nfs/dbraw/zinc/34/22/06/282342206.db2.gz 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C[C@@H]1C[N@H+](C2CCN(c3ccccc3F)CC2)CC[C@]1(C)O ZINC000091441339 193056452 /nfs/dbraw/zinc/05/64/52/193056452.db2.gz YMMSEVVVVGCODG-KDOFPFPSSA-N 1 1 306.425 2.887 50 0 DFAAMO CCN1CCC([N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)CC1 ZINC000091645010 193084442 /nfs/dbraw/zinc/08/44/42/193084442.db2.gz ASXDGIQCOGDUMV-SFHVURJKSA-N 1 1 302.462 2.528 50 0 DFAAMO Oc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c1 ZINC000091655815 193086065 /nfs/dbraw/zinc/08/60/65/193086065.db2.gz QKRGZSFCDZWQRN-RBUKOAKNSA-N 1 1 323.440 2.884 50 0 DFAAMO Oc1cccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccncc2)C3)c1 ZINC000091655815 193086067 /nfs/dbraw/zinc/08/60/67/193086067.db2.gz QKRGZSFCDZWQRN-RBUKOAKNSA-N 1 1 323.440 2.884 50 0 DFAAMO Oc1cccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c1 ZINC000091655815 193086069 /nfs/dbraw/zinc/08/60/69/193086069.db2.gz QKRGZSFCDZWQRN-RBUKOAKNSA-N 1 1 323.440 2.884 50 0 DFAAMO C[NH+](C)[C@@H](Cn1cc(-c2ncc[nH]2)nn1)c1ccccc1Cl ZINC000091665069 193087514 /nfs/dbraw/zinc/08/75/14/193087514.db2.gz 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COCCOc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043587 193146494 /nfs/dbraw/zinc/14/64/94/193146494.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 1 1 318.461 2.628 50 0 DFAAMO COCCOc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043587 193146495 /nfs/dbraw/zinc/14/64/95/193146495.db2.gz YRWGLXCCXODRIQ-MJGOQNOKSA-N 1 1 318.461 2.628 50 0 DFAAMO O=C(N[C@@H]1CCCc2occc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000089885107 284046150 /nfs/dbraw/zinc/04/61/50/284046150.db2.gz URLVFVKAIMWIHO-UKRRQHHQSA-N 1 1 303.406 2.537 50 0 DFAAMO Cc1cc2cc(C[N@H+]3CCCN(C(N)=O)CC3)oc2cc1C ZINC000092754214 193189039 /nfs/dbraw/zinc/18/90/39/193189039.db2.gz NEUVYPLXWJYLDU-UHFFFAOYSA-N 1 1 301.390 2.636 50 0 DFAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(CO)o1 ZINC000093611370 193273605 /nfs/dbraw/zinc/27/36/05/193273605.db2.gz BJRVDYDMYVUVIU-INIZCTEOSA-N 1 1 314.429 2.868 50 0 DFAAMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000093808617 193309727 /nfs/dbraw/zinc/30/97/27/193309727.db2.gz 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/nfs/dbraw/zinc/03/86/08/182038608.db2.gz SZLCESFNAYSBOH-IYBDPMFKSA-N 1 1 323.433 2.508 50 0 DFAAMO COc1cc(C)ccc1OCCOCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247498 182038610 /nfs/dbraw/zinc/03/86/10/182038610.db2.gz SZLCESFNAYSBOH-IYBDPMFKSA-N 1 1 323.433 2.508 50 0 DFAAMO C[NH+]1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 ZINC000019371897 182120125 /nfs/dbraw/zinc/12/01/25/182120125.db2.gz OWUMRNNAXXJLLM-UHFFFAOYSA-N 1 1 307.397 2.682 50 0 DFAAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000019732704 182139464 /nfs/dbraw/zinc/13/94/64/182139464.db2.gz NXJPEXSGQYEABT-OCCSQVGLSA-N 1 1 316.351 2.746 50 0 DFAAMO COc1ccccc1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019770557 182144227 /nfs/dbraw/zinc/14/42/27/182144227.db2.gz PCSMTBJWHQNAMS-UHFFFAOYSA-N 1 1 324.424 2.582 50 0 DFAAMO C[N@@H+](CC(C)(C)CO)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019771138 182145354 /nfs/dbraw/zinc/14/53/54/182145354.db2.gz RKPQRQBAZOGFNF-INIZCTEOSA-N 1 1 308.441 2.740 50 0 DFAAMO COc1cccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000019773592 182145748 /nfs/dbraw/zinc/14/57/48/182145748.db2.gz CPYWYBJAGNJGDT-UHFFFAOYSA-N 1 1 324.424 2.962 50 0 DFAAMO O[C@H](c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000019809100 182152631 /nfs/dbraw/zinc/15/26/31/182152631.db2.gz JXTCBBRMDNXMEA-RTBURBONSA-N 1 1 315.388 2.975 50 0 DFAAMO CC[NH+]1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1 ZINC000019878057 182159532 /nfs/dbraw/zinc/15/95/32/182159532.db2.gz ZUFVLENVBNAUCA-UHFFFAOYSA-N 1 1 324.852 2.972 50 0 DFAAMO COc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019889882 182160738 /nfs/dbraw/zinc/16/07/38/182160738.db2.gz FISVOPPNAGRPSW-HZPDHXFCSA-N 1 1 318.461 2.769 50 0 DFAAMO CC1=C(C)[C@H]([NH2+]Cc2cccs2)N(C[C@@H]2CCCO2)C1=O ZINC000020123883 182188978 /nfs/dbraw/zinc/18/89/78/182188978.db2.gz XEOHMZKFXGOQLG-DZGCQCFKSA-N 1 1 306.431 2.521 50 0 DFAAMO Clc1ccccc1C[C@@H]1C[N@H+](CCCn2cccn2)CCO1 ZINC000020295705 182203882 /nfs/dbraw/zinc/20/38/82/182203882.db2.gz FMUFOGGJFKSAPL-MRXNPFEDSA-N 1 1 319.836 2.870 50 0 DFAAMO Clc1ccccc1C[C@@H]1C[N@@H+](CCCn2cccn2)CCO1 ZINC000020295705 182203883 /nfs/dbraw/zinc/20/38/83/182203883.db2.gz FMUFOGGJFKSAPL-MRXNPFEDSA-N 1 1 319.836 2.870 50 0 DFAAMO CC[NH+]1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000020356288 182211226 /nfs/dbraw/zinc/21/12/26/182211226.db2.gz XNNABTRMDHBRQZ-UHFFFAOYSA-N 1 1 308.425 2.983 50 0 DFAAMO OCC[C@H]1CN(Cc2ccc(F)cc2F)CC[N@H+]1C1CCCC1 ZINC000020513885 182225695 /nfs/dbraw/zinc/22/56/95/182225695.db2.gz JCBOGDHWBYIXOT-KRWDZBQOSA-N 1 1 324.415 2.776 50 0 DFAAMO CC(C)C[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CCO ZINC000020778995 182246829 /nfs/dbraw/zinc/24/68/29/182246829.db2.gz YIGOINRNVRYTLF-IBGZPJMESA-N 1 1 304.478 2.644 50 0 DFAAMO CC(C)CN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CCO ZINC000020778995 182246831 /nfs/dbraw/zinc/24/68/31/182246831.db2.gz YIGOINRNVRYTLF-IBGZPJMESA-N 1 1 304.478 2.644 50 0 DFAAMO CC(C)CN1CC[N@@H+](CCCc2ccccc2)C[C@@H]1CCO ZINC000020778995 182246833 /nfs/dbraw/zinc/24/68/33/182246833.db2.gz YIGOINRNVRYTLF-IBGZPJMESA-N 1 1 304.478 2.644 50 0 DFAAMO Cc1ccccc1CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000021058044 182263732 /nfs/dbraw/zinc/26/37/32/182263732.db2.gz NNCAFVJELDMRLN-IYBDPMFKSA-N 1 1 318.461 2.542 50 0 DFAAMO O=S(=O)(CC[N@@H+]1CCc2sccc2C1)Oc1ccccc1 ZINC000022549643 182326202 /nfs/dbraw/zinc/32/62/02/182326202.db2.gz VEQCWTGBZNSQKH-UHFFFAOYSA-N 1 1 323.439 2.515 50 0 DFAAMO O=S(=O)(CC[N@H+]1CCc2sccc2C1)Oc1ccccc1 ZINC000022549643 182326204 /nfs/dbraw/zinc/32/62/04/182326204.db2.gz VEQCWTGBZNSQKH-UHFFFAOYSA-N 1 1 323.439 2.515 50 0 DFAAMO CC[NH+](CC)CCNCc1cccc(Oc2ncccn2)c1 ZINC000022937307 182342268 /nfs/dbraw/zinc/34/22/68/182342268.db2.gz PHPXZIREDZXRHG-UHFFFAOYSA-N 1 1 300.406 2.700 50 0 DFAAMO COc1ccc(CN2CC[N@H+](C(C)C)C[C@@H]2CCO)c(C)c1C ZINC000023358322 182357361 /nfs/dbraw/zinc/35/73/61/182357361.db2.gz ZHYROUIVUOFKEY-SFHVURJKSA-N 1 1 320.477 2.589 50 0 DFAAMO COc1ccc(C[N@@H+]2CCN(C(C)C)C[C@@H]2CCO)c(C)c1C ZINC000023358322 182357363 /nfs/dbraw/zinc/35/73/63/182357363.db2.gz ZHYROUIVUOFKEY-SFHVURJKSA-N 1 1 320.477 2.589 50 0 DFAAMO COc1ccc(C[N@H+]2CCN(C(C)C)C[C@@H]2CCO)c(C)c1C ZINC000023358322 182357364 /nfs/dbraw/zinc/35/73/64/182357364.db2.gz ZHYROUIVUOFKEY-SFHVURJKSA-N 1 1 320.477 2.589 50 0 DFAAMO CCOc1cccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000023359383 182358626 /nfs/dbraw/zinc/35/86/26/182358626.db2.gz PGUNDTDDZFZPQP-SFHVURJKSA-N 1 1 320.477 2.610 50 0 DFAAMO COc1ccccc1[C@H](CNC(=O)c1ccccc1F)[NH+](C)C ZINC000023694025 182366542 /nfs/dbraw/zinc/36/65/42/182366542.db2.gz LINTYBSIUDHAIR-INIZCTEOSA-N 1 1 316.376 2.867 50 0 DFAAMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000023749530 182368217 /nfs/dbraw/zinc/36/82/17/182368217.db2.gz RDLMBCAGSYGSEV-UHFFFAOYSA-N 1 1 318.442 2.569 50 0 DFAAMO C[N@H+](CCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000024874913 182394132 /nfs/dbraw/zinc/39/41/32/182394132.db2.gz YDBAHVZRWWTLRR-INIZCTEOSA-N 1 1 318.804 2.877 50 0 DFAAMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000024874913 182394134 /nfs/dbraw/zinc/39/41/34/182394134.db2.gz YDBAHVZRWWTLRR-INIZCTEOSA-N 1 1 318.804 2.877 50 0 DFAAMO COc1cccc(F)c1C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000267902444 206328572 /nfs/dbraw/zinc/32/85/72/206328572.db2.gz YXYNETZKXURRQR-UHFFFAOYSA-N 1 1 317.364 2.770 50 0 DFAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCC2CCCC2)C[C@H](C)O1 ZINC000040047419 183029689 /nfs/dbraw/zinc/02/96/89/183029689.db2.gz YGCAMBKYOPHVMC-GASCZTMLSA-N 1 1 310.482 2.961 50 0 DFAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCC2CCCC2)C[C@H](C)O1 ZINC000040047419 183029691 /nfs/dbraw/zinc/02/96/91/183029691.db2.gz YGCAMBKYOPHVMC-GASCZTMLSA-N 1 1 310.482 2.961 50 0 DFAAMO CSc1ncccc1C(=O)NCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040107578 183036131 /nfs/dbraw/zinc/03/61/31/183036131.db2.gz BWOXEGYAVOMSBA-BETUJISGSA-N 1 1 307.463 2.511 50 0 DFAAMO C[N@H+](Cc1ccc(C(N)=O)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000040497405 183082015 /nfs/dbraw/zinc/08/20/15/183082015.db2.gz YORNDUBDWPQPOK-INIZCTEOSA-N 1 1 318.804 2.604 50 0 DFAAMO Cc1noc(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000040509613 183085963 /nfs/dbraw/zinc/08/59/63/183085963.db2.gz WNPMPQMCYXUARU-SNVBAGLBSA-N 1 1 319.430 2.530 50 0 DFAAMO Cc1noc(C)c1C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000040509613 183085964 /nfs/dbraw/zinc/08/59/64/183085964.db2.gz WNPMPQMCYXUARU-SNVBAGLBSA-N 1 1 319.430 2.530 50 0 DFAAMO COc1cccc(CC(=O)Nc2cccnc2-n2cc[nH+]c2C)c1 ZINC000040821709 183137294 /nfs/dbraw/zinc/13/72/94/183137294.db2.gz ZMMKLEYDCNJNRV-UHFFFAOYSA-N 1 1 322.368 2.766 50 0 DFAAMO CC(C)c1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC000041869318 183222584 /nfs/dbraw/zinc/22/25/84/183222584.db2.gz QIKYYSUQNDMVTD-GOSISDBHSA-N 1 1 318.461 2.897 50 0 DFAAMO Cc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](O)C3)n2)cc1F ZINC000042286692 183249863 /nfs/dbraw/zinc/24/98/63/183249863.db2.gz MWVUPNLGYHWFGI-AAEUAGOBSA-N 1 1 305.353 2.702 50 0 DFAAMO Cc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](O)C3)n2)cc1F ZINC000042286692 183249864 /nfs/dbraw/zinc/24/98/64/183249864.db2.gz MWVUPNLGYHWFGI-AAEUAGOBSA-N 1 1 305.353 2.702 50 0 DFAAMO CC(C)=CC[N@H+]1CCN(Cc2cc(F)cc(F)c2)C[C@H]1CCO ZINC000104526307 194012203 /nfs/dbraw/zinc/01/22/03/194012203.db2.gz QDHNHOMGQAWQBA-GOSISDBHSA-N 1 1 324.415 2.800 50 0 DFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC(F)(F)F)C1 ZINC000106629367 194238824 /nfs/dbraw/zinc/23/88/24/194238824.db2.gz DQYNUOAKOGEHID-DGCLKSJQSA-N 1 1 300.324 2.891 50 0 DFAAMO C[C@H](CNCc1c[nH]nc1-c1cccs1)C[NH+]1CCCC1 ZINC000048749242 183684862 /nfs/dbraw/zinc/68/48/62/183684862.db2.gz CGBFWLBLRJDKIZ-CYBMUJFWSA-N 1 1 304.463 2.960 50 0 DFAAMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC000051468184 183827680 /nfs/dbraw/zinc/82/76/80/183827680.db2.gz YJUOSUIKFHMRAX-UHFFFAOYSA-N 1 1 310.397 2.750 50 0 DFAAMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(F)cc1 ZINC000056502919 184014392 /nfs/dbraw/zinc/01/43/92/184014392.db2.gz WOSVKUNZKZQSML-ZIAGYGMSSA-N 1 1 307.413 2.745 50 0 DFAAMO Cc1csc(N2CCCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000057148432 184028374 /nfs/dbraw/zinc/02/83/74/184028374.db2.gz ZLHZVYKHTVKPEP-UHFFFAOYSA-N 1 1 303.435 2.575 50 0 DFAAMO C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCC(O)CC1 ZINC000058048599 184070973 /nfs/dbraw/zinc/07/09/73/184070973.db2.gz GKRBDQJAQXJNKN-JTQLQIEISA-N 1 1 307.781 2.908 50 0 DFAAMO C[C@@]1(c2cccc3ccccc32)NC(=O)N(C[NH+]2CCCC2)C1=O ZINC000058171363 184084388 /nfs/dbraw/zinc/08/43/88/184084388.db2.gz GREZPDVPPOBBIK-IBGZPJMESA-N 1 1 323.396 2.660 50 0 DFAAMO COc1ccc(CCC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000058201675 184086892 /nfs/dbraw/zinc/08/68/92/184086892.db2.gz VXMKUQZINNZGRL-QGZVFWFLSA-N 1 1 318.461 2.864 50 0 DFAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)/C=C/c2cccnc2)cn1 ZINC000058230479 184091999 /nfs/dbraw/zinc/09/19/99/184091999.db2.gz AVHAEUDBJJYECB-QPJJXVBHSA-N 1 1 305.341 2.623 50 0 DFAAMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000058391206 184111187 /nfs/dbraw/zinc/11/11/87/184111187.db2.gz MLUFMULFBCREFQ-CYBMUJFWSA-N 1 1 316.449 2.962 50 0 DFAAMO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCCc2ccccc21 ZINC000058246116 184094350 /nfs/dbraw/zinc/09/43/50/184094350.db2.gz UFECHIYRGDGCIJ-UHFFFAOYSA-N 1 1 324.428 2.569 50 0 DFAAMO CC[N@H+]1CCC[C@H](CNC(=O)CCc2ccc(OC)c(F)c2)C1 ZINC000058275808 184098420 /nfs/dbraw/zinc/09/84/20/184098420.db2.gz CRLJUXLSMPNVLW-OAHLLOKOSA-N 1 1 322.424 2.615 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c3ccccc23)C1 ZINC000058293838 184101874 /nfs/dbraw/zinc/10/18/74/184101874.db2.gz KFTMQTFYSRLUDT-HNNXBMFYSA-N 1 1 313.445 2.947 50 0 DFAAMO CC(C)[N@H+]1CC[C@H](CNC(=O)CCOc2ccccc2Cl)C1 ZINC000058419742 184116144 /nfs/dbraw/zinc/11/61/44/184116144.db2.gz KPEGGJVPICIXLV-CQSZACIVSA-N 1 1 324.852 2.955 50 0 DFAAMO Cc1nc2ccccc2n1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000060368071 184147263 /nfs/dbraw/zinc/14/72/63/184147263.db2.gz JNPKVPDLKZWEFE-QGZVFWFLSA-N 1 1 309.413 2.838 50 0 DFAAMO CNC(=O)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000063607248 184285993 /nfs/dbraw/zinc/28/59/93/184285993.db2.gz CZKNSSAMBNSCHN-HNNXBMFYSA-N 1 1 320.339 2.865 50 0 DFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)COC2CCCC2)C1 ZINC000065140329 184311779 /nfs/dbraw/zinc/31/17/79/184311779.db2.gz GGHLOEOQJFUABA-NVXWUHKLSA-N 1 1 316.445 2.897 50 0 DFAAMO CCc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccn2)cc1 ZINC000065201791 184314398 /nfs/dbraw/zinc/31/43/98/184314398.db2.gz IJEOOOCDVUWCCL-UHFFFAOYSA-N 1 1 306.369 2.760 50 0 DFAAMO c1coc(-c2noc(C[NH2+]C[C@H]3CCc4ccccc4O3)n2)c1 ZINC000065373789 184330388 /nfs/dbraw/zinc/33/03/88/184330388.db2.gz HAEWQUGSCNUIGK-CYBMUJFWSA-N 1 1 311.341 2.813 50 0 DFAAMO CN1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000065382987 184332600 /nfs/dbraw/zinc/33/26/00/184332600.db2.gz RXSCTTVBVZVZEK-IBGZPJMESA-N 1 1 301.478 2.679 50 0 DFAAMO CN1CCN(CC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000065382987 184332602 /nfs/dbraw/zinc/33/26/02/184332602.db2.gz RXSCTTVBVZVZEK-IBGZPJMESA-N 1 1 301.478 2.679 50 0 DFAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)cc1 ZINC000065410109 184340195 /nfs/dbraw/zinc/34/01/95/184340195.db2.gz CIOSOXJRFRRTHO-QGZVFWFLSA-N 1 1 312.417 2.754 50 0 DFAAMO Cc1c[nH+]c(NCc2ccc3c(c2)OCCCO3)nc1N(C)C ZINC000065454222 184347803 /nfs/dbraw/zinc/34/78/03/184347803.db2.gz NLBWZEAVJKLXMU-UHFFFAOYSA-N 1 1 314.389 2.624 50 0 DFAAMO Cc1ccc(NC[C@@H]2CCN(Cc3noc(C4CC4)n3)C2)[nH+]c1 ZINC000065467316 184350240 /nfs/dbraw/zinc/35/02/40/184350240.db2.gz BXAZDGKXJBIUPV-ZDUSSCGKSA-N 1 1 313.405 2.584 50 0 DFAAMO CCOc1ncccc1C[NH2+]CC(=O)Nc1cccc(F)c1C ZINC000065397678 184335731 /nfs/dbraw/zinc/33/57/31/184335731.db2.gz HQINFEVCPXNRPX-UHFFFAOYSA-N 1 1 317.364 2.656 50 0 DFAAMO C[C@H](COc1ccccc1)[NH2+]Cc1nc(-c2cccnc2)no1 ZINC000065526566 184359878 /nfs/dbraw/zinc/35/98/78/184359878.db2.gz DIJQJYMXZAKQTQ-CYBMUJFWSA-N 1 1 310.357 2.689 50 0 DFAAMO CCn1nc(C)c([C@@H](C)Nc2nc(N(C)C)c(C)c[nH+]2)c1C ZINC000065535860 184362645 /nfs/dbraw/zinc/36/26/45/184362645.db2.gz YISMYIXJDCYVFE-LLVKDONJSA-N 1 1 302.426 2.857 50 0 DFAAMO O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000263560704 304241857 /nfs/dbraw/zinc/24/18/57/304241857.db2.gz BQETVAPRTIQMAC-AEFFLSMTSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000263560704 304241858 /nfs/dbraw/zinc/24/18/58/304241858.db2.gz BQETVAPRTIQMAC-AEFFLSMTSA-N 1 1 314.429 2.834 50 0 DFAAMO O=C([O-])c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000263560704 304241860 /nfs/dbraw/zinc/24/18/60/304241860.db2.gz BQETVAPRTIQMAC-AEFFLSMTSA-N 1 1 314.429 2.834 50 0 DFAAMO OCC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012302009 542421287 /nfs/dbraw/zinc/42/12/87/542421287.db2.gz DKIBYVXMQYITLW-HNNXBMFYSA-N 1 1 319.380 2.536 50 0 DFAAMO OCC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000012302009 542421292 /nfs/dbraw/zinc/42/12/92/542421292.db2.gz DKIBYVXMQYITLW-HNNXBMFYSA-N 1 1 319.380 2.536 50 0 DFAAMO COc1ccc(Cl)cc1NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932590 542428766 /nfs/dbraw/zinc/42/87/66/542428766.db2.gz DQYIVYNUJUOVAW-GFCCVEGCSA-N 1 1 309.797 2.661 50 0 DFAAMO C[C@H](CNC(=O)CC[C@H]1CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000046243591 542438813 /nfs/dbraw/zinc/43/88/13/542438813.db2.gz KPQSAEQTDFCMKY-UKRRQHHQSA-N 1 1 322.474 2.570 50 0 DFAAMO C[C@H](CNC(=O)CC[C@H]1CCCO1)[N@H+]1CCc2sccc2C1 ZINC000046243591 542438817 /nfs/dbraw/zinc/43/88/17/542438817.db2.gz KPQSAEQTDFCMKY-UKRRQHHQSA-N 1 1 322.474 2.570 50 0 DFAAMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn3cccnc3n2)C12CCC2 ZINC000120900391 195260234 /nfs/dbraw/zinc/26/02/34/195260234.db2.gz KJVXYHWUONKGJW-GJZGRUSLSA-N 1 1 300.406 2.509 50 0 DFAAMO CSc1ccc(O[C@H](C)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000076996630 542477017 /nfs/dbraw/zinc/47/70/17/542477017.db2.gz FGYRWSIVXZXOSE-KGLIPLIRSA-N 1 1 322.474 2.634 50 0 DFAAMO O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)[C@H]1CSC[NH2+]1 ZINC000225463804 256595710 /nfs/dbraw/zinc/59/57/10/256595710.db2.gz BPUOIBYNGFCIQG-FBIMIBRVSA-N 1 1 317.241 2.628 50 0 DFAAMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](CC1CCCCC1)C2 ZINC000225493777 257215419 /nfs/dbraw/zinc/21/54/19/257215419.db2.gz DBARSVOWDWGNRU-SFHVURJKSA-N 1 1 317.477 2.973 50 0 biogenic,in-vitro DFAAMO O=C(c1ccco1)N1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000270612270 257237917 /nfs/dbraw/zinc/23/79/17/257237917.db2.gz YNEBDWBLDIRGAQ-UHFFFAOYSA-N 1 1 310.357 2.873 50 0 DFAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCC1(COc2ccccc2)CC1 ZINC000426633973 257245272 /nfs/dbraw/zinc/24/52/72/257245272.db2.gz PNFYATRRXHFIAL-AWEZNQCLSA-N 1 1 313.401 2.728 50 0 DFAAMO Cc1ccc2nc(CNC(=O)CC[C@@H](C)[NH+]3CCCC3)[nH]c2c1 ZINC000426544505 257246992 /nfs/dbraw/zinc/24/69/92/257246992.db2.gz UZNUAKNMOXHHEK-CQSZACIVSA-N 1 1 314.433 2.752 50 0 DFAAMO CC[C@@H]1C=CCN1C(=O)NCC[N@@H+](C)CCc1ccccc1 ZINC000426490778 257248280 /nfs/dbraw/zinc/24/82/80/257248280.db2.gz XKNWSPFQPBMVLP-QGZVFWFLSA-N 1 1 301.434 2.521 50 0 DFAAMO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CCCO2)c1ccco1 ZINC000426477768 257249045 /nfs/dbraw/zinc/24/90/45/257249045.db2.gz RCOXPOLAWDDZJP-OAHLLOKOSA-N 1 1 314.385 2.637 50 0 DFAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)NCc1cccc(F)c1 ZINC000426484438 257249536 /nfs/dbraw/zinc/24/95/36/257249536.db2.gz LAUHMFXRFQMWQJ-UHFFFAOYSA-N 1 1 307.413 2.842 50 0 DFAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cncc(N)c2)cc1 ZINC000426388005 257252666 /nfs/dbraw/zinc/25/26/66/257252666.db2.gz SGNWUZAADZDOOS-SFHVURJKSA-N 1 1 324.428 2.545 50 0 DFAAMO CC(C)=CC[N@@H+]1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000426361281 257252956 /nfs/dbraw/zinc/25/29/56/257252956.db2.gz MEWKEYFIKWVFAG-INIZCTEOSA-N 1 1 317.481 2.557 50 0 DFAAMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000408517653 257255262 /nfs/dbraw/zinc/25/52/62/257255262.db2.gz LPDQSSBBSUDORW-UHFFFAOYSA-N 1 1 316.323 2.577 50 0 DFAAMO C[C@H]1C[N@@H+](C)CC[C@H]1NC(=O)CCCCC(=O)c1ccccc1 ZINC000252467426 257258897 /nfs/dbraw/zinc/25/88/97/257258897.db2.gz KALWZJYXFVSXOL-DOTOQJQBSA-N 1 1 316.445 2.886 50 0 DFAAMO Cc1cc([C@@H]2CCCN2C(=O)NCC[N@@H+]2CCCC[C@H]2C)on1 ZINC000240465967 257259745 /nfs/dbraw/zinc/25/97/45/257259745.db2.gz GBTKTWPZIALKGR-CABCVRRESA-N 1 1 320.437 2.704 50 0 DFAAMO Cc1nc(Cc2nnc(SC[C@@H]3CCC[N@H+](C)C3)o2)cs1 ZINC000071804172 184847392 /nfs/dbraw/zinc/84/73/92/184847392.db2.gz DRJHVGVYIXBYNC-LLVKDONJSA-N 1 1 324.475 2.859 50 0 DFAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)c1 ZINC000071875560 184881221 /nfs/dbraw/zinc/88/12/21/184881221.db2.gz ZZBAUYDACFAIEF-GOSISDBHSA-N 1 1 307.401 2.733 50 0 DFAAMO Cc1coc(-c2cc(NC(=O)[C@@H]3CSC[NH2+]3)ccc2C)n1 ZINC000121738855 195338105 /nfs/dbraw/zinc/33/81/05/195338105.db2.gz TVUDGYVFYZGYHT-ZDUSSCGKSA-N 1 1 303.387 2.559 50 0 DFAAMO COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CO)C2)o1 ZINC000170084894 542756634 /nfs/dbraw/zinc/75/66/34/542756634.db2.gz UNPLYHJDDSMOSR-ZDUSSCGKSA-N 1 1 315.369 2.547 50 0 DFAAMO c1cn(-c2ccc(C[N@H+]3CCO[C@H](c4cccnc4)C3)cc2)cn1 ZINC000216073036 542874646 /nfs/dbraw/zinc/87/46/46/542874646.db2.gz CCZLENZPWPVIOD-IBGZPJMESA-N 1 1 320.396 2.841 50 0 DFAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000216077569 542874967 /nfs/dbraw/zinc/87/49/67/542874967.db2.gz CJJSFJCMIDBDSG-HXUWFJFHSA-N 1 1 319.408 2.966 50 0 DFAAMO C[C@H](C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000263465896 542955211 /nfs/dbraw/zinc/95/52/11/542955211.db2.gz CQGYXSLQDKSAQU-PBHICJAKSA-N 1 1 322.424 2.800 50 0 DFAAMO C[C@H](C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000263465896 542955215 /nfs/dbraw/zinc/95/52/15/542955215.db2.gz CQGYXSLQDKSAQU-PBHICJAKSA-N 1 1 322.424 2.800 50 0 DFAAMO C[C@H](C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000263465896 542955218 /nfs/dbraw/zinc/95/52/18/542955218.db2.gz CQGYXSLQDKSAQU-PBHICJAKSA-N 1 1 322.424 2.800 50 0 DFAAMO c1ncn(C2CC2)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000303211465 543049041 /nfs/dbraw/zinc/04/90/41/543049041.db2.gz VJFPQKCDLNWDSY-UHFFFAOYSA-N 1 1 310.445 2.972 50 0 DFAAMO CCC[N@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)C1 ZINC000053408245 425887633 /nfs/dbraw/zinc/88/76/33/425887633.db2.gz BIUBNALUIQQEPL-INIZCTEOSA-N 1 1 300.446 2.956 50 0 DFAAMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(Br)cc1F ZINC000054134575 425889432 /nfs/dbraw/zinc/88/94/32/425889432.db2.gz RPIYBSSUPVVZNN-UHFFFAOYSA-N 1 1 317.202 2.658 50 0 DFAAMO Cc1ccc(O)c(C[N@H+](Cc2ccccc2)C[C@@H](C)CO)n1 ZINC000055211730 425892715 /nfs/dbraw/zinc/89/27/15/425892715.db2.gz OFQGWXAZEDRJAB-CQSZACIVSA-N 1 1 300.402 2.726 50 0 DFAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)C1CSCCSC1 ZINC000670436107 544040651 /nfs/dbraw/zinc/04/06/51/544040651.db2.gz MLEDNNPSVOAAOC-UHFFFAOYSA-N 1 1 307.488 2.886 50 0 DFAAMO CCC1(CC)C[N@H+]([C@H]2CCC(=O)N(CC3CC3)CC2)CCO1 ZINC000670452599 544042623 /nfs/dbraw/zinc/04/26/23/544042623.db2.gz KUTRXCQRYMZYJG-INIZCTEOSA-N 1 1 308.466 2.669 50 0 DFAAMO Cc1nccn1C[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000670462578 544044013 /nfs/dbraw/zinc/04/40/13/544044013.db2.gz ZPHDSUXUDZOXKX-CQSZACIVSA-N 1 1 311.520 2.752 50 0 DFAAMO O=C1CCCN1C[C@@H]1CCC[N@@H+](Cc2cnccc2Cl)C1 ZINC000670464470 544044288 /nfs/dbraw/zinc/04/42/88/544044288.db2.gz AILWUIGRKBVKKD-CYBMUJFWSA-N 1 1 307.825 2.569 50 0 DFAAMO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2cnccc2Cl)C1 ZINC000670464470 544044292 /nfs/dbraw/zinc/04/42/92/544044292.db2.gz AILWUIGRKBVKKD-CYBMUJFWSA-N 1 1 307.825 2.569 50 0 DFAAMO Fc1ccc(OC2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000670472795 544045351 /nfs/dbraw/zinc/04/53/51/544045351.db2.gz FACXKQZAXWGUHZ-GOSISDBHSA-N 1 1 304.409 2.763 50 0 DFAAMO CCc1nsc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299738542 229368803 /nfs/dbraw/zinc/36/88/03/229368803.db2.gz CCFKAKJMZVFSHM-NSHDSACASA-N 1 1 303.435 2.627 50 0 DFAAMO O[C@@H](C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1)c1ccccc1 ZINC000299749902 229394723 /nfs/dbraw/zinc/39/47/23/229394723.db2.gz LZLJUUHLYUCBRS-LPHOPBHVSA-N 1 1 311.429 2.742 50 0 DFAAMO CCn1ncnc1[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055360030 425893234 /nfs/dbraw/zinc/89/32/34/425893234.db2.gz HIJVNFQMIBWUHH-NSHDSACASA-N 1 1 314.368 2.678 50 0 DFAAMO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1O ZINC000055543206 425894086 /nfs/dbraw/zinc/89/40/86/425894086.db2.gz DVZHFTFGIDVULL-UHFFFAOYSA-N 1 1 316.376 2.862 50 0 DFAAMO C[NH+](C)[C@H](CNC(=S)Nc1cccc(F)c1)c1cccnc1 ZINC000056689024 425895854 /nfs/dbraw/zinc/89/58/54/425895854.db2.gz DVJBFROCTONNRB-OAHLLOKOSA-N 1 1 318.421 2.810 50 0 DFAAMO COc1ccccc1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000057290248 425896246 /nfs/dbraw/zinc/89/62/46/425896246.db2.gz BVQGNTCCNLTFLZ-UHFFFAOYSA-N 1 1 301.390 2.622 50 0 DFAAMO Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000065288797 425902652 /nfs/dbraw/zinc/90/26/52/425902652.db2.gz AGOXERADWFKXKJ-GOSISDBHSA-N 1 1 316.445 2.712 50 0 DFAAMO CNc1snc(C)c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000065760717 425903308 /nfs/dbraw/zinc/90/33/08/425903308.db2.gz RXURYLZSPSEJLE-GRYCIOLGSA-N 1 1 324.494 2.589 50 0 DFAAMO COc1ccccc1C(=O)N1CCC[N@H+]([C@@H]2C=CCCC2)CC1 ZINC000066496583 425904619 /nfs/dbraw/zinc/90/46/19/425904619.db2.gz YNFMGWIRANDWOY-MRXNPFEDSA-N 1 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/nfs/dbraw/zinc/91/27/95/425912795.db2.gz DHEKSBPMOAAKGR-UHFFFAOYSA-N 1 1 307.397 2.970 50 0 DFAAMO COc1ccc2[nH]c(=O)c(C[N@@H+](C)CCc3ccccn3)cc2c1 ZINC000067804792 425913164 /nfs/dbraw/zinc/91/31/64/425913164.db2.gz UNMMVQSXFPYVLM-UHFFFAOYSA-N 1 1 323.396 2.606 50 0 DFAAMO COC[C@H]1CCCC[N@H+]1Cc1cc2ccc(C)cc2[nH]c1=O ZINC000067956381 425915172 /nfs/dbraw/zinc/91/51/72/425915172.db2.gz WPIBELKFJHIQCT-MRXNPFEDSA-N 1 1 300.402 2.837 50 0 DFAAMO O=C(NCC[C@H]1CCC[N@@H+](Cc2ccco2)C1)c1cncs1 ZINC000067855539 425913866 /nfs/dbraw/zinc/91/38/66/425913866.db2.gz CCOUVRZPJCTHBX-CYBMUJFWSA-N 1 1 319.430 2.768 50 0 DFAAMO Cn1c(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc2c1cccc2Cl ZINC000067849951 425914052 /nfs/dbraw/zinc/91/40/52/425914052.db2.gz GGGGCGWEGMUTPE-NSHDSACASA-N 1 1 305.809 2.513 50 0 DFAAMO c1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCCC3)nc2)nc1 ZINC000067867107 425914187 /nfs/dbraw/zinc/91/41/87/425914187.db2.gz AFLBTNNVDUVCNO-KRWDZBQOSA-N 1 1 309.417 2.809 50 0 DFAAMO c1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)nc1 ZINC000067867107 425914188 /nfs/dbraw/zinc/91/41/88/425914188.db2.gz AFLBTNNVDUVCNO-KRWDZBQOSA-N 1 1 309.417 2.809 50 0 DFAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC000067983091 425915451 /nfs/dbraw/zinc/91/54/51/425915451.db2.gz ZKHIOYNXMFJXPX-LJQANCHMSA-N 1 1 319.408 2.675 50 0 DFAAMO O=c1[nH]c2ccccc2cc1CN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000067983091 425915452 /nfs/dbraw/zinc/91/54/52/425915452.db2.gz ZKHIOYNXMFJXPX-LJQANCHMSA-N 1 1 319.408 2.675 50 0 DFAAMO O=C(c1cc[nH]c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000068331231 425917239 /nfs/dbraw/zinc/91/72/39/425917239.db2.gz FMBSTUPDALYGOQ-UHFFFAOYSA-N 1 1 311.429 2.795 50 0 DFAAMO CC(C)[N@H+]1CC[C@@H](NC(=O)Nc2cccc(N3CCCC3)c2)C1 ZINC000069241657 425932736 /nfs/dbraw/zinc/93/27/36/425932736.db2.gz VHENIWYSOLUILA-MRXNPFEDSA-N 1 1 316.449 2.891 50 0 DFAAMO Cc1nc2sc3c(c2c(N2CCC[N@H+](C)CC2)n1)CCC3 ZINC000000038157 425529931 /nfs/dbraw/zinc/52/99/31/425529931.db2.gz 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/nfs/dbraw/zinc/54/96/82/425549682.db2.gz QNGOMMGOFDOART-OAHLLOKOSA-N 1 1 318.417 2.599 50 0 DFAAMO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000007613687 425647882 /nfs/dbraw/zinc/64/78/82/425647882.db2.gz DLGSYZUDXVMOMX-UHFFFAOYSA-N 1 1 318.398 2.937 50 0 DFAAMO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1cccs1 ZINC000007613687 425647885 /nfs/dbraw/zinc/64/78/85/425647885.db2.gz DLGSYZUDXVMOMX-UHFFFAOYSA-N 1 1 318.398 2.937 50 0 DFAAMO Cc1ccsc1C[N@H+](C)CC(=O)NCc1ccccc1F ZINC000007691322 425648850 /nfs/dbraw/zinc/64/88/50/425648850.db2.gz XFKQPFCNJKKPQN-UHFFFAOYSA-N 1 1 306.406 2.944 50 0 DFAAMO Cc1ccsc1C[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000007691322 425648855 /nfs/dbraw/zinc/64/88/55/425648855.db2.gz XFKQPFCNJKKPQN-UHFFFAOYSA-N 1 1 306.406 2.944 50 0 DFAAMO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000007811110 425653256 /nfs/dbraw/zinc/65/32/56/425653256.db2.gz NSOBXSCFJPZUAT-PHIMTYICSA-N 1 1 306.406 2.579 50 0 DFAAMO COc1ccc(CNC(=O)C[N@H+](C)Cc2cccc(F)c2)cc1 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C[N@@H+](C[C@]1(O)CCCN(CC(C)(C)C)C1=O)C1CCCCC1 ZINC000012053739 425718495 /nfs/dbraw/zinc/71/84/95/425718495.db2.gz XFEOSRBNHXDURQ-GOSISDBHSA-N 1 1 310.482 2.651 50 0 DFAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000012363331 425724155 /nfs/dbraw/zinc/72/41/55/425724155.db2.gz YHWWUONTQSLJCH-OKILXGFUSA-N 1 1 302.418 2.613 50 0 DFAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000012363346 425724269 /nfs/dbraw/zinc/72/42/69/425724269.db2.gz LAZNVXWGHHPATP-GASCZTMLSA-N 1 1 306.425 2.899 50 0 DFAAMO C[C@@H]1CN(C2CC[NH+](Cc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000012363346 425724274 /nfs/dbraw/zinc/72/42/74/425724274.db2.gz LAZNVXWGHHPATP-GASCZTMLSA-N 1 1 306.425 2.899 50 0 DFAAMO COc1ccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363337 425724391 /nfs/dbraw/zinc/72/43/91/425724391.db2.gz FISVOPPNAGRPSW-IYBDPMFKSA-N 1 1 318.461 2.769 50 0 DFAAMO COc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363337 425724395 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CCc1nn2c(nc(C[N@H+](CC)C3CCCCC3)cc2=O)s1 ZINC000044875206 425858153 /nfs/dbraw/zinc/85/81/53/425858153.db2.gz ZYNGGIGXJKLQHR-UHFFFAOYSA-N 1 1 320.462 2.868 50 0 DFAAMO c1cc(-c2noc(C[N@H+](C[C@H]3CCOC3)C3CC3)n2)cs1 ZINC000046092243 425864382 /nfs/dbraw/zinc/86/43/82/425864382.db2.gz ZUXNJHWGHJARNJ-LLVKDONJSA-N 1 1 305.403 2.799 50 0 DFAAMO Cc1cccc(OCC[N@@H+](C)CC(=O)Nc2ccc(O)cc2)c1 ZINC000027374293 425815681 /nfs/dbraw/zinc/81/56/81/425815681.db2.gz CVNDTQHSUBGOIL-UHFFFAOYSA-N 1 1 314.385 2.650 50 0 DFAAMO Cc1cccc(OCC[N@H+](C)CC(=O)Nc2ccc(O)cc2)c1 ZINC000027374293 425815682 /nfs/dbraw/zinc/81/56/82/425815682.db2.gz CVNDTQHSUBGOIL-UHFFFAOYSA-N 1 1 314.385 2.650 50 0 DFAAMO CC[C@@H](CNC(=O)c1ccc(C)nc1)[N@H+]1CCc2ccccc2C1 ZINC000029912299 425829414 /nfs/dbraw/zinc/82/94/14/425829414.db2.gz MFGOYKQJTVFYCY-IBGZPJMESA-N 1 1 323.440 2.957 50 0 DFAAMO C[N@H+](CCCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000030268685 425831212 /nfs/dbraw/zinc/83/12/12/425831212.db2.gz OYFONWYZWGRVEE-KRWDZBQOSA-N 1 1 316.376 2.753 50 0 DFAAMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccccc1 ZINC000030268685 425831214 /nfs/dbraw/zinc/83/12/14/425831214.db2.gz OYFONWYZWGRVEE-KRWDZBQOSA-N 1 1 316.376 2.753 50 0 DFAAMO C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H]1CCCc2ccccc21 ZINC000032512300 425838937 /nfs/dbraw/zinc/83/89/37/425838937.db2.gz RJIBZTSJFURWJA-CYBMUJFWSA-N 1 1 300.324 2.674 50 0 DFAAMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068897 425841344 /nfs/dbraw/zinc/84/13/44/425841344.db2.gz GFXMQFYAGLSPHY-UHFFFAOYSA-N 1 1 317.389 2.917 50 0 DFAAMO CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000035426254 425844359 /nfs/dbraw/zinc/84/43/59/425844359.db2.gz VZGIUZRNOZEULU-AWEZNQCLSA-N 1 1 315.421 2.991 50 0 biogenic,in-vitro DFAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000036031596 425844832 /nfs/dbraw/zinc/84/48/32/425844832.db2.gz UBMMGPIBSZTICD-HOTGVXAUSA-N 1 1 313.463 2.515 50 0 DFAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000036031594 425844980 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ASKCZJIZKNAJSP-OAHLLOKOSA-N 1 1 323.824 2.669 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCCOc1ccccc1C ZINC000058087612 184074134 /nfs/dbraw/zinc/07/41/34/184074134.db2.gz XLRKTSUBWYFWQU-MRXNPFEDSA-N 1 1 304.434 2.755 50 0 DFAAMO CC(=O)CC(C)(C)NC(=O)CC[N@H+](C)Cc1ccc(C)cc1 ZINC000058025824 184069154 /nfs/dbraw/zinc/06/91/54/184069154.db2.gz ZWDKMSLPACCCEH-UHFFFAOYSA-N 1 1 304.434 2.691 50 0 DFAAMO c1cc(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)n[nH]1 ZINC000058226014 184090128 /nfs/dbraw/zinc/09/01/28/184090128.db2.gz VQPZZAPBIVNYLS-UHFFFAOYSA-N 1 1 309.373 2.839 50 0 DFAAMO O=C(c1ccccn1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058231700 184092470 /nfs/dbraw/zinc/09/24/70/184092470.db2.gz GZRHHUUNKHEDNM-UHFFFAOYSA-N 1 1 313.376 2.569 50 0 DFAAMO O=C(c1ccccn1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058231700 184092471 /nfs/dbraw/zinc/09/24/71/184092471.db2.gz GZRHHUUNKHEDNM-UHFFFAOYSA-N 1 1 313.376 2.569 50 0 DFAAMO COCc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000058343937 184107290 /nfs/dbraw/zinc/10/72/90/184107290.db2.gz AZOMPBOIYQRXCJ-HNNXBMFYSA-N 1 1 304.434 2.683 50 0 DFAAMO CC[NH+](CC)CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000058356294 184108529 /nfs/dbraw/zinc/10/85/29/184108529.db2.gz SEESBSGNCSNODG-UHFFFAOYSA-N 1 1 314.433 2.757 50 0 DFAAMO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000058313369 184104408 /nfs/dbraw/zinc/10/44/08/184104408.db2.gz XVWMLFLENRBNQU-ZWNOBZJWSA-N 1 1 307.369 2.890 50 0 DFAAMO Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)nc12 ZINC000058325059 184105156 /nfs/dbraw/zinc/10/51/56/184105156.db2.gz OWPVSTAKHUXJPX-MRXNPFEDSA-N 1 1 308.385 2.668 50 0 DFAAMO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3ccc[nH]3)nc12 ZINC000058325059 184105157 /nfs/dbraw/zinc/10/51/57/184105157.db2.gz OWPVSTAKHUXJPX-MRXNPFEDSA-N 1 1 308.385 2.668 50 0 DFAAMO Cn1nccc1C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000058326262 184105601 /nfs/dbraw/zinc/10/56/01/184105601.db2.gz RSOIMXQKBVQJQV-UHFFFAOYSA-N 1 1 323.400 2.850 50 0 DFAAMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N(C)C ZINC000058421090 184116036 /nfs/dbraw/zinc/11/60/36/184116036.db2.gz WPGUFWOIDUUKRA-LLVKDONJSA-N 1 1 320.412 2.793 50 0 DFAAMO Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000058442755 184119117 /nfs/dbraw/zinc/11/91/17/184119117.db2.gz AXIAWWPHNWBCJG-UHFFFAOYSA-N 1 1 312.413 2.953 50 0 DFAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccnc2)c1 ZINC000062473185 184239675 /nfs/dbraw/zinc/23/96/75/184239675.db2.gz FVURXABRJCRJMT-UHFFFAOYSA-N 1 1 312.417 2.533 50 0 DFAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccnc1Oc1ccccc1 ZINC000063114869 184271791 /nfs/dbraw/zinc/27/17/91/184271791.db2.gz NGMUUMCTZGLWOG-CQSZACIVSA-N 1 1 323.396 2.840 50 0 DFAAMO CC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000065394151 184334373 /nfs/dbraw/zinc/33/43/73/184334373.db2.gz MQHZRVHCURGQGE-LJQANCHMSA-N 1 1 316.445 2.576 50 0 DFAAMO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2nnc(-c3ccccc3)o2)n1 ZINC000065382239 184332713 /nfs/dbraw/zinc/33/27/13/184332713.db2.gz IBFWKICOWVGNIK-ZDUSSCGKSA-N 1 1 311.389 2.728 50 0 DFAAMO COc1ccc(C[NH2+][C@H](C)C(=O)NC2CCCC2)c(F)c1F ZINC000065410604 184340102 /nfs/dbraw/zinc/34/01/02/184340102.db2.gz WVHPWPZYEDBVLB-SNVBAGLBSA-N 1 1 312.360 2.510 50 0 DFAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cccn3-c3ncccn3)C2)n1 ZINC000065451239 184346721 /nfs/dbraw/zinc/34/67/21/184346721.db2.gz KTJWRQMYCMNJBY-KRWDZBQOSA-N 1 1 322.416 2.528 50 0 DFAAMO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(-c2ccccc2)n1 ZINC000065456842 184347835 /nfs/dbraw/zinc/34/78/35/184347835.db2.gz IAPOVWLRSLPCHI-HNNXBMFYSA-N 1 1 312.417 2.585 50 0 DFAAMO CCC[N@@H+](CCCCOC(C)=O)CC(=O)Nc1ccccc1C ZINC000065476251 184351706 /nfs/dbraw/zinc/35/17/06/184351706.db2.gz VZDXKKGMIBLMEO-UHFFFAOYSA-N 1 1 320.433 2.989 50 0 DFAAMO Cc1noc(C)c1CNC(=O)[C@H](c1ccccc1C)[NH+](C)C ZINC000065529675 184360900 /nfs/dbraw/zinc/36/09/00/184360900.db2.gz IMLHWFWUNYIRRX-INIZCTEOSA-N 1 1 301.390 2.519 50 0 DFAAMO C[N@H+]1CCC[C@@H]1CNC(=O)CCCOc1ccc(Cl)cc1 ZINC000065516369 184358003 /nfs/dbraw/zinc/35/80/03/184358003.db2.gz QWECPHWINFICFJ-CQSZACIVSA-N 1 1 310.825 2.709 50 0 DFAAMO CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000120085623 195092907 /nfs/dbraw/zinc/09/29/07/195092907.db2.gz ITDFGKBGTXBCIH-SWLSCSKDSA-N 1 1 308.447 2.561 50 0 DFAAMO COc1ccc(-c2noc(C[N@@H+](C)CC3CC3)n2)cc1OC ZINC000052106394 425884043 /nfs/dbraw/zinc/88/40/43/425884043.db2.gz IQIXDWLRSHGQAZ-UHFFFAOYSA-N 1 1 303.362 2.596 50 0 DFAAMO Cc1ccc(C[NH+]2CCC(CN(C)Cc3ncc[nH]3)CC2)o1 ZINC000012301855 542421324 /nfs/dbraw/zinc/42/13/24/542421324.db2.gz IYSNWKBSPNBKHI-UHFFFAOYSA-N 1 1 302.422 2.655 50 0 DFAAMO CC(C)[N@@H+](CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 ZINC000010929816 542418699 /nfs/dbraw/zinc/41/86/99/542418699.db2.gz KLWBMMLUCSSIFY-UHFFFAOYSA-N 1 1 317.433 2.665 50 0 DFAAMO Cc1occc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012203034 542419444 /nfs/dbraw/zinc/41/94/44/542419444.db2.gz YKYXCTJNNYIVEK-SFHVURJKSA-N 1 1 302.418 2.926 50 0 DFAAMO C[N@H+](Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000027930885 542429248 /nfs/dbraw/zinc/42/92/48/542429248.db2.gz ZRXAMJIXDPCFJC-UHFFFAOYSA-N 1 1 301.438 2.656 50 0 DFAAMO C[N@@H+](Cc1nnnn1C1CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000027930885 542429252 /nfs/dbraw/zinc/42/92/52/542429252.db2.gz ZRXAMJIXDPCFJC-UHFFFAOYSA-N 1 1 301.438 2.656 50 0 DFAAMO CC[N@@H+](Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCOC1 ZINC000052072482 542446991 /nfs/dbraw/zinc/44/69/91/542446991.db2.gz LESBXPBTMFIFNF-HNNXBMFYSA-N 1 1 301.390 2.519 50 0 DFAAMO CC[N@H+](Cc1nc(Cc2ccccc2)no1)C[C@@H]1CCOC1 ZINC000052072482 542446995 /nfs/dbraw/zinc/44/69/95/542446995.db2.gz LESBXPBTMFIFNF-HNNXBMFYSA-N 1 1 301.390 2.519 50 0 DFAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccccc3)[nH]1)C2 ZINC000067725635 542459635 /nfs/dbraw/zinc/45/96/35/542459635.db2.gz PARJVEILPSMBSU-JKSUJKDBSA-N 1 1 309.413 2.990 50 0 DFAAMO CCc1oc(C(=O)N2CCCC[C@H]2C[NH3+])cc1CN(CC)CC ZINC000055042561 542451821 /nfs/dbraw/zinc/45/18/21/542451821.db2.gz YNRMOMRMSVCVSF-HNNXBMFYSA-N 1 1 321.465 2.637 50 0 DFAAMO Clc1cc(C[NH2+]C2CCN(C3CC3)CC2)cc2c1OCCO2 ZINC000055043122 542451895 /nfs/dbraw/zinc/45/18/95/542451895.db2.gz QCFIISPJTZMGIA-UHFFFAOYSA-N 1 1 322.836 2.828 50 0 DFAAMO CCSc1ncc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)cn1 ZINC000055054172 542453256 /nfs/dbraw/zinc/45/32/56/542453256.db2.gz DQSHUYYVTIUKSH-UHFFFAOYSA-N 1 1 319.478 2.980 50 0 DFAAMO CCSc1ncc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cn1 ZINC000055054172 542453259 /nfs/dbraw/zinc/45/32/59/542453259.db2.gz DQSHUYYVTIUKSH-UHFFFAOYSA-N 1 1 319.478 2.980 50 0 DFAAMO CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514288704 257216102 /nfs/dbraw/zinc/21/61/02/257216102.db2.gz AKDNEMOSWFDGCO-WBVHZDCISA-N 1 1 302.418 2.784 50 0 biogenic,in-vitro DFAAMO CN(C(=O)c1ccc(-c2ccccc2CO)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000426628705 257244886 /nfs/dbraw/zinc/24/48/86/257244886.db2.gz DDOPFULPXTYBQS-SFHVURJKSA-N 1 1 324.424 2.622 50 0 DFAAMO Cc1[nH+]cn(CCNC(=O)[C@@]2(c3ccccc3)CC2(C)C)c1C ZINC000426519361 257247961 /nfs/dbraw/zinc/24/79/61/257247961.db2.gz XBCHRFICNJAWSX-IBGZPJMESA-N 1 1 311.429 2.984 50 0 DFAAMO Cc1n[nH]c(C)c1CC[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000426361693 257253310 /nfs/dbraw/zinc/25/33/10/257253310.db2.gz NJIAZBYXZMGFTE-MRXNPFEDSA-N 1 1 301.438 2.710 50 0 DFAAMO COc1ccccc1[C@H](C)CC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000408521791 257254663 /nfs/dbraw/zinc/25/46/63/257254663.db2.gz INFZBRRHGISNOA-CABCVRRESA-N 1 1 304.434 2.741 50 0 DFAAMO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCC(=O)c3ccc(F)cc3)[C@H]2C1 ZINC000240444198 257259926 /nfs/dbraw/zinc/25/99/26/257259926.db2.gz FWNKJFKPOYSMAT-RYRKJORJSA-N 1 1 321.392 2.667 50 0 DFAAMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC(=O)c3ccc(F)cc3)[C@H]2C1 ZINC000240444198 257259927 /nfs/dbraw/zinc/25/99/27/257259927.db2.gz FWNKJFKPOYSMAT-RYRKJORJSA-N 1 1 321.392 2.667 50 0 DFAAMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2nnc(C(C)(C)C)s2)[C@@H](C)C1 ZINC000390833097 257261029 /nfs/dbraw/zinc/26/10/29/257261029.db2.gz CCHQQVVJIBWMRU-NWDGAFQWSA-N 1 1 324.494 2.638 50 0 DFAAMO Cc1ncc(COC(=O)c2cnn(-c3cc[nH+]cc3)c2C)s1 ZINC000090519792 542536530 /nfs/dbraw/zinc/53/65/30/542536530.db2.gz JEJHERSTPRPJJA-UHFFFAOYSA-N 1 1 314.370 2.698 50 0 DFAAMO COc1cccc(C(=O)Nc2ccnn2-c2cc[nH+]cc2)c1F ZINC000090684144 542538770 /nfs/dbraw/zinc/53/87/70/542538770.db2.gz WWNYRAVIEVKOAL-UHFFFAOYSA-N 1 1 312.304 2.667 50 0 DFAAMO Cc1cn2c(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c(C)nc2s1 ZINC000091856595 542542984 /nfs/dbraw/zinc/54/29/84/542542984.db2.gz JQURBPDTBIRQTN-JSGCOSHPSA-N 1 1 323.487 2.719 50 0 DFAAMO Cc1cn2c(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c(C)nc2s1 ZINC000091856595 542542988 /nfs/dbraw/zinc/54/29/88/542542988.db2.gz JQURBPDTBIRQTN-JSGCOSHPSA-N 1 1 323.487 2.719 50 0 DFAAMO CSCCN1CCN(Cc2ccc([C@@H](C)[NH+](C)C)cc2)CC1 ZINC000215842029 542874237 /nfs/dbraw/zinc/87/42/37/542874237.db2.gz HUMCUICVSVLAIV-MRXNPFEDSA-N 1 1 321.534 2.790 50 0 DFAAMO C[N@H+](Cc1cnc(-c2ccccc2)s1)C[C@@H]1COCCO1 ZINC000215680688 542872921 /nfs/dbraw/zinc/87/29/21/542872921.db2.gz BJRHDOHIWYNJAG-CQSZACIVSA-N 1 1 304.415 2.657 50 0 DFAAMO COc1ccc2ccccc2c1C[N@@H+](C)C[C@H]1COCCO1 ZINC000215782446 542873054 /nfs/dbraw/zinc/87/30/54/542873054.db2.gz FVPHRMDAALWUEZ-HNNXBMFYSA-N 1 1 301.386 2.696 50 0 DFAAMO CC(C)[C@@H]1C=CC[N@H+]1Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000215875320 542873626 /nfs/dbraw/zinc/87/36/26/542873626.db2.gz OLGQYZACVBBQMR-AWEZNQCLSA-N 1 1 308.809 2.601 50 0 DFAAMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(O)cc2Cl)[C@@H](C)C1 ZINC000221765804 542881930 /nfs/dbraw/zinc/88/19/30/542881930.db2.gz LILUTSOTPKWOJL-LRDDRELGSA-N 1 1 324.852 2.777 50 0 DFAAMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(=O)c(OC)c[nH]1 ZINC000252495929 542947465 /nfs/dbraw/zinc/94/74/65/542947465.db2.gz PDPOWWUQENHQSH-CYBMUJFWSA-N 1 1 316.401 2.867 50 0 DFAAMO c1cn(CCN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cn1 ZINC000245791771 146102698 /nfs/dbraw/zinc/10/26/98/146102698.db2.gz XKMMBROULDIIDK-VQTJNVASSA-N 1 1 324.472 2.870 50 0 DFAAMO c1nn([C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)c2ccccc12 ZINC000373117441 150234451 /nfs/dbraw/zinc/23/44/51/150234451.db2.gz GLNMMZRKHJWBDM-AEFFLSMTSA-N 1 1 315.417 2.826 50 0 DFAAMO c1nn([C@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)c2ccccc12 ZINC000373117444 150235142 /nfs/dbraw/zinc/23/51/42/150235142.db2.gz GLNMMZRKHJWBDM-WMZOPIPTSA-N 1 1 315.417 2.826 50 0 DFAAMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2ccccc2n1 ZINC000053087269 425886797 /nfs/dbraw/zinc/88/67/97/425886797.db2.gz DYLHHEMVQPXBTD-UHFFFAOYSA-N 1 1 323.396 2.725 50 0 DFAAMO C[C@H](c1ccccc1F)[N@@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000053125156 425886897 /nfs/dbraw/zinc/88/68/97/425886897.db2.gz BDSFULHPCHGXBM-GFCCVEGCSA-N 1 1 321.396 2.539 50 0 DFAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)COC2CCCC2)C1 ZINC000054223016 425889535 /nfs/dbraw/zinc/88/95/35/425889535.db2.gz GGHLOEOQJFUABA-WBVHZDCISA-N 1 1 316.445 2.897 50 0 DFAAMO Cc1cc(CNC(=O)c2ccc([C@H](C)[NH+]3CCCCC3)o2)n[nH]1 ZINC000055119202 425892076 /nfs/dbraw/zinc/89/20/76/425892076.db2.gz KLIUIGLCULWGSG-ZDUSSCGKSA-N 1 1 316.405 2.788 50 0 DFAAMO CC[NH+](/C=C/c1nnnn1-c1ccc(Br)cc1)CC ZINC000055120932 425892121 /nfs/dbraw/zinc/89/21/21/425892121.db2.gz TXYDLQHXSMWVNN-MDZDMXLPSA-N 1 1 322.210 2.737 50 0 DFAAMO Cc1cc(C)c(C[N@H+]2CCC[C@H]2Cn2cccn2)c(C)c1CO ZINC000055119046 425892132 /nfs/dbraw/zinc/89/21/32/425892132.db2.gz RYDVHQZAINBCKL-KRWDZBQOSA-N 1 1 313.445 2.965 50 0 DFAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2csc3ccccc23)C1 ZINC000670440562 544041025 /nfs/dbraw/zinc/04/10/25/544041025.db2.gz HHPXEUKBJUIPIJ-ZDUSSCGKSA-N 1 1 318.442 2.599 50 0 DFAAMO CCc1ncc(C[N@@H+](C)Cc2ccccc2-n2cccn2)cn1 ZINC000670444675 544041410 /nfs/dbraw/zinc/04/14/10/544041410.db2.gz GMYYYXFCGWBGGG-UHFFFAOYSA-N 1 1 307.401 2.857 50 0 DFAAMO Cc1nc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)sc1C ZINC000670449192 544041942 /nfs/dbraw/zinc/04/19/42/544041942.db2.gz FKNNWSADYDNJHF-LBPRGKRZSA-N 1 1 304.419 2.635 50 0 DFAAMO CNC(=O)C[C@@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000670449791 544042163 /nfs/dbraw/zinc/04/21/63/544042163.db2.gz VRURPXLCEAOBBF-LBPRGKRZSA-N 1 1 300.324 2.663 50 0 DFAAMO CCCc1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)no1 ZINC000670452197 544042458 /nfs/dbraw/zinc/04/24/58/544042458.db2.gz MIMLPIQQCGRBSO-INIZCTEOSA-N 1 1 314.433 2.980 50 0 DFAAMO CN(Cc1nccs1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000670451131 544042890 /nfs/dbraw/zinc/04/28/90/544042890.db2.gz ZJNBKFPBHAAJOC-UHFFFAOYSA-N 1 1 309.479 2.610 50 0 DFAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)OC[C@@H]4C3)c2)o1 ZINC000670462961 544044046 /nfs/dbraw/zinc/04/40/46/544044046.db2.gz RETFXQQGIGNLMZ-INIZCTEOSA-N 1 1 312.369 2.891 50 0 DFAAMO Cc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)OC[C@@H]4C3)c2)o1 ZINC000670462961 544044049 /nfs/dbraw/zinc/04/40/49/544044049.db2.gz RETFXQQGIGNLMZ-INIZCTEOSA-N 1 1 312.369 2.891 50 0 DFAAMO CNC(=O)C[C@H]1CC[N@@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC000670461991 544044357 /nfs/dbraw/zinc/04/43/57/544044357.db2.gz LYLWDHZBNCVZFT-MRXNPFEDSA-N 1 1 304.434 2.679 50 0 DFAAMO c1coc(CN2CCC([N@H+]3CCC[C@H](c4ncc[nH]4)C3)CC2)c1 ZINC000670472324 544045533 /nfs/dbraw/zinc/04/55/33/544045533.db2.gz FBGDGJOCMOJRHT-HNNXBMFYSA-N 1 1 314.433 2.847 50 0 DFAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1ccc2c(c1)OCCO2 ZINC000055369187 425893078 /nfs/dbraw/zinc/89/30/78/425893078.db2.gz PPBROAROIIDLGB-OAHLLOKOSA-N 1 1 317.385 2.824 50 0 DFAAMO c1[nH+]c2c(n1[C@@H]1CCN(c3nnc(C4CC4)s3)C1)CCCC2 ZINC000299738853 229371741 /nfs/dbraw/zinc/37/17/41/229371741.db2.gz HJBFLDPGLULTMI-GFCCVEGCSA-N 1 1 315.446 2.942 50 0 DFAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000057174401 425896154 /nfs/dbraw/zinc/89/61/54/425896154.db2.gz CHGCTXYHIKKLES-SFHVURJKSA-N 1 1 309.413 2.671 50 0 DFAAMO COc1cccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c1 ZINC000057290243 425896329 /nfs/dbraw/zinc/89/63/29/425896329.db2.gz QLLRQOZEUUYRCG-UHFFFAOYSA-N 1 1 301.390 2.622 50 0 DFAAMO CCC[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000058339223 425897579 /nfs/dbraw/zinc/89/75/79/425897579.db2.gz WAONSHHXNQEOEL-CQSZACIVSA-N 1 1 301.839 2.739 50 0 DFAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000058339223 425897580 /nfs/dbraw/zinc/89/75/80/425897580.db2.gz WAONSHHXNQEOEL-CQSZACIVSA-N 1 1 301.839 2.739 50 0 DFAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1)NC1CCCC1 ZINC000058135695 425897371 /nfs/dbraw/zinc/89/73/71/425897371.db2.gz TYCYCKGNVCPGTD-QGZVFWFLSA-N 1 1 320.408 2.648 50 0 DFAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1)NC1CCCC1 ZINC000058135695 425897372 /nfs/dbraw/zinc/89/73/72/425897372.db2.gz TYCYCKGNVCPGTD-QGZVFWFLSA-N 1 1 320.408 2.648 50 0 DFAAMO C[C@@H](CNC(=O)CCc1ccncc1)[N@H+]1CCc2ccccc2C1 ZINC000060792948 425898938 /nfs/dbraw/zinc/89/89/38/425898938.db2.gz VTOLXRLNSTVDEW-INIZCTEOSA-N 1 1 323.440 2.577 50 0 DFAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc[nH]1 ZINC000064521874 425901951 /nfs/dbraw/zinc/90/19/51/425901951.db2.gz LTTMRWXFSJLZIE-ZDUSSCGKSA-N 1 1 303.431 2.718 50 0 DFAAMO CCN(CCC[NH+]1CCOCC1)c1nc(C)nc2sccc21 ZINC000063846688 425901108 /nfs/dbraw/zinc/90/11/08/425901108.db2.gz PGASQIRRXTZSJK-UHFFFAOYSA-N 1 1 320.462 2.548 50 0 DFAAMO CCCc1cc(N2CCC[C@H](CN3CCCC3=O)C2)nc(C)[nH+]1 ZINC000065470050 425902867 /nfs/dbraw/zinc/90/28/67/425902867.db2.gz PYQBHNXYCPDGAL-HNNXBMFYSA-N 1 1 316.449 2.576 50 0 DFAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048705 425908325 /nfs/dbraw/zinc/90/83/25/425908325.db2.gz JKRNDQGKFJBPDZ-UONOGXRCSA-N 1 1 307.463 2.724 50 0 DFAAMO C[NH+]1CCC(Cc2noc(CN3CCCCCCC3)n2)CC1 ZINC000067491114 425910977 /nfs/dbraw/zinc/91/09/77/425910977.db2.gz RUXQZUQNKMTKOR-UHFFFAOYSA-N 1 1 306.454 2.720 50 0 DFAAMO C[N@@H+]1CCC[C@H]1CCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562056 425911514 /nfs/dbraw/zinc/91/15/14/425911514.db2.gz MQDONIGXKAGVCF-INIZCTEOSA-N 1 1 302.397 2.790 50 0 DFAAMO C[N@H+]1CCC[C@H]1CCNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000067562056 425911515 /nfs/dbraw/zinc/91/15/15/425911515.db2.gz MQDONIGXKAGVCF-INIZCTEOSA-N 1 1 302.397 2.790 50 0 DFAAMO C[C@H](Cc1ccccn1)[N@@H+](C)CCn1c2ccccc2oc1=O ZINC000067588533 425911563 /nfs/dbraw/zinc/91/15/63/425911563.db2.gz JXRUVAXLGXMWJS-CQSZACIVSA-N 1 1 311.385 2.553 50 0 DFAAMO CCc1[nH]c([C@@H]2CC(=O)Nc3c2c(C(C)(C)C)nn3C)c(C)[nH+]1 ZINC000067642202 425911928 /nfs/dbraw/zinc/91/19/28/425911928.db2.gz SWVPRQNNQVZCKB-SNVBAGLBSA-N 1 1 315.421 2.786 50 0 DFAAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OC)cc2C)C1 ZINC000067650571 425912036 /nfs/dbraw/zinc/91/20/36/425912036.db2.gz MZWKRHYVRCKNTD-AWEZNQCLSA-N 1 1 305.422 2.857 50 0 DFAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)n1 ZINC000067643310 425912104 /nfs/dbraw/zinc/91/21/04/425912104.db2.gz HRXRDNVXYZMLQS-AWEZNQCLSA-N 1 1 311.389 2.930 50 0 DFAAMO CC(C)([NH3+])C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000067695691 425912619 /nfs/dbraw/zinc/91/26/19/425912619.db2.gz MMYXUEDQFSJYOH-AWEZNQCLSA-N 1 1 312.417 2.520 50 0 DFAAMO Cc1nc(C)c(C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)s1 ZINC000067688917 425912640 /nfs/dbraw/zinc/91/26/40/425912640.db2.gz MFLSJCBCBNGUHO-AWEZNQCLSA-N 1 1 321.490 2.983 50 0 DFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@@H+]1CCC[C@H](O)C1 ZINC000067894411 425914462 /nfs/dbraw/zinc/91/44/62/425914462.db2.gz XZUADXULCKXQRE-AWEZNQCLSA-N 1 1 308.328 2.885 50 0 DFAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@H](O)C1 ZINC000067894411 425914463 /nfs/dbraw/zinc/91/44/63/425914463.db2.gz XZUADXULCKXQRE-AWEZNQCLSA-N 1 1 308.328 2.885 50 0 DFAAMO CCOc1cc2c(cc1C[N@H+]1CC[C@@H](CNC(C)=O)C1)CCC2 ZINC000067954382 425915259 /nfs/dbraw/zinc/91/52/59/425915259.db2.gz PMLVTZHUGRUHSF-HNNXBMFYSA-N 1 1 316.445 2.532 50 0 DFAAMO C/C(=C\c1ccco1)C[N@@H+]1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067841153 425913678 /nfs/dbraw/zinc/91/36/78/425913678.db2.gz AWTOEVJAUFHRES-HNRFISLBSA-N 1 1 305.422 2.712 50 0 DFAAMO Cc1cc2oc(=O)cc(C[N@@H+](C)CCc3cn[nH]c3)c2cc1C ZINC000067847394 425914016 /nfs/dbraw/zinc/91/40/16/425914016.db2.gz VQGCWEPETAOFEA-UHFFFAOYSA-N 1 1 311.385 2.807 50 0 DFAAMO COc1ccc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000067851838 425914077 /nfs/dbraw/zinc/91/40/77/425914077.db2.gz 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425544621 /nfs/dbraw/zinc/54/46/21/425544621.db2.gz VVYGZHBTPXYPER-NSHDSACASA-N 1 1 302.187 2.935 50 0 DFAAMO OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(Br)c1 ZINC000000210207 425544625 /nfs/dbraw/zinc/54/46/25/425544625.db2.gz VVYGZHBTPXYPER-NSHDSACASA-N 1 1 302.187 2.935 50 0 DFAAMO C[C@@H]1CCCC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)OCO3 ZINC000002158558 425590678 /nfs/dbraw/zinc/59/06/78/425590678.db2.gz RQGWUHDQRLWIKN-LLVKDONJSA-N 1 1 301.342 2.896 50 0 DFAAMO COc1ccc(CC[N@@H+](C)C[C@@H](O)c2ccccc2)cc1OC ZINC000002638970 425599137 /nfs/dbraw/zinc/59/91/37/425599137.db2.gz CRRAPHVQWSGGJX-QGZVFWFLSA-N 1 1 315.413 2.912 50 0 DFAAMO COc1ccc(CC[N@@H+](C)C[C@H](O)c2ccccc2)cc1OC ZINC000002638968 425599170 /nfs/dbraw/zinc/59/91/70/425599170.db2.gz CRRAPHVQWSGGJX-KRWDZBQOSA-N 1 1 315.413 2.912 50 0 DFAAMO COc1cccc(C[N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000007458441 425643628 /nfs/dbraw/zinc/64/36/28/425643628.db2.gz DIAJBGWGNQLBKT-WMLDXEAASA-N 1 1 304.434 2.822 50 0 DFAAMO 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c1cnc2[nH]c([C@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035442894 425844381 /nfs/dbraw/zinc/84/43/81/425844381.db2.gz JABHGXUETUGRGZ-ZDUSSCGKSA-N 1 1 322.368 2.676 50 0 biogenic,in-vitro DFAAMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COC(C)C)cc1 ZINC000036095164 425844809 /nfs/dbraw/zinc/84/48/09/425844809.db2.gz XSWRQYZUUNWDCR-KRWDZBQOSA-N 1 1 309.450 2.939 50 0 DFAAMO COc1cccc(C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C)c1 ZINC000036098329 425845208 /nfs/dbraw/zinc/84/52/08/425845208.db2.gz SZGJJOFUVGMTAM-QGZVFWFLSA-N 1 1 309.450 2.939 50 0 DFAAMO CC(C)[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385712 425845824 /nfs/dbraw/zinc/84/58/24/425845824.db2.gz XJASGSRPOBPEFD-CQSZACIVSA-N 1 1 319.474 2.573 50 0 DFAAMO C[C@H](CNC(=O)Nc1nccs1)[N@H+]1CCc2ccccc2C1 ZINC000040096106 425851115 /nfs/dbraw/zinc/85/11/15/425851115.db2.gz PFICHTBFDUIZLS-GFCCVEGCSA-N 1 1 316.430 2.711 50 0 DFAAMO COc1ncccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000047390819 425869417 /nfs/dbraw/zinc/86/94/17/425869417.db2.gz 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CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccnc2)C1 ZINC000071897546 426001378 /nfs/dbraw/zinc/00/13/78/426001378.db2.gz UBJMKBBQPNQEKR-OAHLLOKOSA-N 1 1 318.465 2.781 50 0 DFAAMO Cc1ncc2c(n1)C[N@H+](CCCc1nc3ccccc3o1)CC2 ZINC000069489241 425941602 /nfs/dbraw/zinc/94/16/02/425941602.db2.gz SRPGITSIWITMRJ-UHFFFAOYSA-N 1 1 308.385 2.917 50 0 DFAAMO COc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)ccc1C ZINC000069491545 425943030 /nfs/dbraw/zinc/94/30/30/425943030.db2.gz VCTGZYVDBDUXDY-CVEARBPZSA-N 1 1 302.418 2.702 50 0 DFAAMO Cc1ccc2oc(C(=O)N3CCC[C@@H]3[C@H]3CCC[N@@H+]3C)cc2n1 ZINC000069490035 425943118 /nfs/dbraw/zinc/94/31/18/425943118.db2.gz CIXNJRMQMSJXKM-HUUCEWRRSA-N 1 1 313.401 2.835 50 0 DFAAMO OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000069529425 425945182 /nfs/dbraw/zinc/94/51/82/425945182.db2.gz BATPIADWIAZFBB-ZDUSSCGKSA-N 1 1 308.328 2.967 50 0 DFAAMO OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000069529425 425945185 /nfs/dbraw/zinc/94/51/85/425945185.db2.gz 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Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC000069870773 425961764 /nfs/dbraw/zinc/96/17/64/425961764.db2.gz KUBNMECULCXCML-GOEBONIOSA-N 1 1 300.406 2.808 50 0 DFAAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1cscn1 ZINC000069918957 425962830 /nfs/dbraw/zinc/96/28/30/425962830.db2.gz FYKNWOVWCMPOIU-CABCVRRESA-N 1 1 307.463 2.551 50 0 DFAAMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1csc(C2CCCC2)n1 ZINC000069930512 425963804 /nfs/dbraw/zinc/96/38/04/425963804.db2.gz KTSUKESACZQDIB-WCQYABFASA-N 1 1 307.463 2.887 50 0 DFAAMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000069930512 425963806 /nfs/dbraw/zinc/96/38/06/425963806.db2.gz KTSUKESACZQDIB-WCQYABFASA-N 1 1 307.463 2.887 50 0 DFAAMO Cc1nccc(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000069948788 425964460 /nfs/dbraw/zinc/96/44/60/425964460.db2.gz IHTWSOGMPZMXMT-AWEZNQCLSA-N 1 1 313.405 2.582 50 0 DFAAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000069983049 425965299 /nfs/dbraw/zinc/96/52/99/425965299.db2.gz QLWASTUMNLWALK-ROUUACIJSA-N 1 1 320.408 2.680 50 0 DFAAMO Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000069969835 425965806 /nfs/dbraw/zinc/96/58/06/425965806.db2.gz ABBWDUHPTDSRGA-AWEZNQCLSA-N 1 1 321.384 2.612 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)c1 ZINC000070040703 425966314 /nfs/dbraw/zinc/96/63/14/425966314.db2.gz AQXBOECSIRVZJC-HNNXBMFYSA-N 1 1 309.417 2.743 50 0 DFAAMO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)c1 ZINC000070040703 425966315 /nfs/dbraw/zinc/96/63/15/425966315.db2.gz AQXBOECSIRVZJC-HNNXBMFYSA-N 1 1 309.417 2.743 50 0 DFAAMO C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000070037829 425967039 /nfs/dbraw/zinc/96/70/39/425967039.db2.gz OJHKAGGSIOJPMU-SJORKVTESA-N 1 1 324.428 2.776 50 0 DFAAMO O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000106752961 425974597 /nfs/dbraw/zinc/97/45/97/425974597.db2.gz CARMCNYUZHDJQT-FGTMMUONSA-N 1 1 320.477 2.811 50 0 DFAAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(C(C)C)CC1 ZINC000073951034 426035148 /nfs/dbraw/zinc/03/51/48/426035148.db2.gz LQKFINJSXUCJKV-AWEZNQCLSA-N 1 1 306.454 2.905 50 0 DFAAMO Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000073988558 426036755 /nfs/dbraw/zinc/03/67/55/426036755.db2.gz QCXDHKXZXYKZOG-QWHCGFSZSA-N 1 1 307.463 2.884 50 0 DFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000075126661 426064034 /nfs/dbraw/zinc/06/40/34/426064034.db2.gz JFGYXAQRCCEEQK-OAHLLOKOSA-N 1 1 305.422 2.913 50 0 DFAAMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000075126661 426064036 /nfs/dbraw/zinc/06/40/36/426064036.db2.gz JFGYXAQRCCEEQK-OAHLLOKOSA-N 1 1 305.422 2.913 50 0 DFAAMO Cc1cnn(C[C@H]2CCCC[N@H+]2C[C@H](O)c2ccccc2F)c1 ZINC000075131896 426064114 /nfs/dbraw/zinc/06/41/14/426064114.db2.gz CTVYGCVQOSXKAO-QAPCUYQASA-N 1 1 317.408 2.919 50 0 DFAAMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(=O)n3nccc3[nH]2)C1 ZINC000075138216 426064887 /nfs/dbraw/zinc/06/48/87/426064887.db2.gz ULCBCUUPGLFWOA-IBGZPJMESA-N 1 1 322.412 2.576 50 0 DFAAMO 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CC(C)n1nccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000337187517 427812139 /nfs/dbraw/zinc/81/21/39/427812139.db2.gz QEPUPGICOOYGCE-IAGOWNOFSA-N 1 1 303.381 2.911 50 0 DFAAMO CC(C)n1nccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000337187517 427812141 /nfs/dbraw/zinc/81/21/41/427812141.db2.gz QEPUPGICOOYGCE-IAGOWNOFSA-N 1 1 303.381 2.911 50 0 DFAAMO Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000337248513 427823919 /nfs/dbraw/zinc/82/39/19/427823919.db2.gz IXQWEIVITXDSGB-RCCFBDPRSA-N 1 1 319.445 2.544 50 0 DFAAMO COc1c(C[NH2+][C@@H]2CCOc3c(C)cc(C)cc32)c(C)nn1C ZINC000058407390 274089603 /nfs/dbraw/zinc/08/96/03/274089603.db2.gz BIHHBULYLJGKNC-MRXNPFEDSA-N 1 1 315.417 2.967 50 0 DFAAMO C[C@@H]1CCc2c(sc3ncnc(N4CCC[N@@H+](C)CC4)c23)C1 ZINC000005958763 274320233 /nfs/dbraw/zinc/32/02/33/274320233.db2.gz OVLOWQXCBBUNJD-GFCCVEGCSA-N 1 1 316.474 2.958 50 0 DFAAMO c1ccc2c(c1)C[C@@H](C[NH+]1CC(N3CCCCC3)C1)CCO2 ZINC000095510824 275070236 /nfs/dbraw/zinc/07/02/36/275070236.db2.gz KRWUIGNVINROBL-INIZCTEOSA-N 1 1 300.446 2.798 50 0 DFAAMO CCOCCC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091644510 276313706 /nfs/dbraw/zinc/31/37/06/276313706.db2.gz HPGMRYGMNSGNHC-QZTJIDSGSA-N 1 1 316.445 2.536 50 0 DFAAMO C[NH+]1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 ZINC000020010938 277088735 /nfs/dbraw/zinc/08/87/35/277088735.db2.gz AOUBLJGOYRNEKU-UHFFFAOYSA-N 1 1 308.381 2.698 50 0 DFAAMO CN1c2cccnc2C[N@H+](CC2CCCCC2)CC[C@H]1CO ZINC000225496005 277219102 /nfs/dbraw/zinc/21/91/02/277219102.db2.gz XGHGEFDEAPIXLM-INIZCTEOSA-N 1 1 303.450 2.665 50 0 biogenic,in-vitro DFAAMO COc1ccc([C@](C)(O)[C@@H]2CCC[N@H+]2Cc2ccno2)cc1 ZINC000583615562 430411839 /nfs/dbraw/zinc/41/18/39/430411839.db2.gz JIZUYZPFZORFSQ-IRXDYDNUSA-N 1 1 302.374 2.555 50 0 DFAAMO COc1ccc([C@](C)(O)[C@H]2CCC[N@H+]2CCOC(C)C)cc1 ZINC000583615531 430411004 /nfs/dbraw/zinc/41/10/04/430411004.db2.gz FGQDJDOSLGLPTJ-MSOLQXFVSA-N 1 1 307.434 2.792 50 0 DFAAMO Cc1[nH+]c2cc3c(cc2n1CC1(O)CCCCC1)OCCO3 ZINC000065172284 279122589 /nfs/dbraw/zinc/12/25/89/279122589.db2.gz BXGBXWWKRIDNEW-UHFFFAOYSA-N 1 1 302.374 2.811 50 0 DFAAMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cn2)[C@H]1c1ccccc1 ZINC000225564223 290140732 /nfs/dbraw/zinc/14/07/32/290140732.db2.gz BVUVYJNOUYOBPM-GDBMZVCRSA-N 1 1 314.364 2.788 50 0 DFAAMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000572743192 318001971 /nfs/dbraw/zinc/00/19/71/318001971.db2.gz IEJDXEGNJXHLBS-JTQLQIEISA-N 1 1 314.311 2.807 50 0 DFAAMO C[C@@]1(CNCc2csnn2)CCC[N@H+]1Cc1ccccc1 ZINC000154808454 323214176 /nfs/dbraw/zinc/21/41/76/323214176.db2.gz KMFSHXRZDDVBFA-INIZCTEOSA-N 1 1 302.447 2.682 50 0 DFAAMO CC(=O)N1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000328598725 526560700 /nfs/dbraw/zinc/56/07/00/526560700.db2.gz NZQVLWDSEAYYOY-UHFFFAOYSA-N 1 1 317.364 2.535 50 0 DFAAMO CC(=O)N1CCC[N@@H+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000328598725 526560705 /nfs/dbraw/zinc/56/07/05/526560705.db2.gz NZQVLWDSEAYYOY-UHFFFAOYSA-N 1 1 317.364 2.535 50 0 DFAAMO CCN1CCC[C@@H](C[N@@H+](C)CCCSC)[C@@H]1c1cnn(C)c1 ZINC000328643523 529045905 /nfs/dbraw/zinc/04/59/05/529045905.db2.gz RIKYGQRINOVJIS-DOTOQJQBSA-N 1 1 324.538 2.878 50 0 DFAAMO Cc1[nH+]ccn1CCCNC(=O)Nc1ccnn1[C@H](C)C(C)C ZINC000299755920 563804305 /nfs/dbraw/zinc/80/43/05/563804305.db2.gz FEALKJGQKMQYDM-CYBMUJFWSA-N 1 1 318.425 2.817 50 0 DFAAMO