smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)ccc1C[N@@H+]1CCn2c(nnc2C2CC[NH2+]CC2)C1 ZINC000072372115 203209571 /nfs/dbraw/zinc/20/95/71/203209571.db2.gz YOESCHHKYRTFNO-UHFFFAOYSA-N 2 2 341.459 2.078 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCn2c(nnc2C2CC[NH2+]CC2)C1 ZINC000072372115 203209574 /nfs/dbraw/zinc/20/95/74/203209574.db2.gz YOESCHHKYRTFNO-UHFFFAOYSA-N 2 2 341.459 2.078 40 0 EEABLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000041123503 204007728 /nfs/dbraw/zinc/00/77/28/204007728.db2.gz MLZBUHCRXRZTOA-IBGZPJMESA-N 2 2 328.460 2.035 40 0 EEABLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@]1(O)CCC[N@H+](C)C1 ZINC000041123503 204007731 /nfs/dbraw/zinc/00/77/31/204007731.db2.gz MLZBUHCRXRZTOA-IBGZPJMESA-N 2 2 328.460 2.035 40 0 EEABLP CNc1cc(C[N@H+](C)Cc2cnc(C)s2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760059 463020873 /nfs/dbraw/zinc/02/08/73/463020873.db2.gz TWRAEKWJYHNDJV-AWEZNQCLSA-N 2 2 332.477 2.340 40 0 EEABLP CNc1cc(C[N@@H+](C)Cc2cnc(C)s2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760059 463020877 /nfs/dbraw/zinc/02/08/77/463020877.db2.gz TWRAEKWJYHNDJV-AWEZNQCLSA-N 2 2 332.477 2.340 40 0 EEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022075531 463045542 /nfs/dbraw/zinc/04/55/42/463045542.db2.gz URQZGDXUJJZXMT-OAHLLOKOSA-N 2 2 332.419 2.465 40 0 EEABLP C[NH+](C)Cc1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000134957977 463101285 /nfs/dbraw/zinc/10/12/85/463101285.db2.gz XCAHKLQJIOUVOX-UHFFFAOYSA-N 2 2 336.443 2.346 40 0 EEABLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416353 465004243 /nfs/dbraw/zinc/00/42/43/465004243.db2.gz HPGJXZPFXJUPHU-RBUKOAKNSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416353 465004247 /nfs/dbraw/zinc/00/42/47/465004247.db2.gz HPGJXZPFXJUPHU-RBUKOAKNSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000253416353 465004250 /nfs/dbraw/zinc/00/42/50/465004250.db2.gz HPGJXZPFXJUPHU-RBUKOAKNSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000253416353 465004255 /nfs/dbraw/zinc/00/42/55/465004255.db2.gz HPGJXZPFXJUPHU-RBUKOAKNSA-N 2 2 346.471 2.305 40 0 EEABLP C[NH+]1CCC(CNC(=O)C(C)(C)C(F)F)([NH+]2CCCCC2)CC1 ZINC000253421305 465009135 /nfs/dbraw/zinc/00/91/35/465009135.db2.gz UJFDPTJCMCVPOB-UHFFFAOYSA-N 2 2 331.451 2.344 40 0 EEABLP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096073161 463167213 /nfs/dbraw/zinc/16/72/13/463167213.db2.gz JHBNSTQIEUPLGG-GOSISDBHSA-N 2 2 342.443 2.155 40 0 EEABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446532 463270933 /nfs/dbraw/zinc/27/09/33/463270933.db2.gz SKHCVBCOFDGGTC-INIZCTEOSA-N 2 2 330.407 2.230 40 0 EEABLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446532 463270935 /nfs/dbraw/zinc/27/09/35/463270935.db2.gz SKHCVBCOFDGGTC-INIZCTEOSA-N 2 2 330.407 2.230 40 0 EEABLP CC(C)Oc1ccc([C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[N@@H+]2C)cc1 ZINC000257261855 463758354 /nfs/dbraw/zinc/75/83/54/463758354.db2.gz LJAOYYMRCQURBI-GOSISDBHSA-N 2 2 342.443 2.186 40 0 EEABLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416351 465004454 /nfs/dbraw/zinc/00/44/54/465004454.db2.gz HPGJXZPFXJUPHU-MOPGFXCFSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416351 465004458 /nfs/dbraw/zinc/00/44/58/465004458.db2.gz HPGJXZPFXJUPHU-MOPGFXCFSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000253416351 465004463 /nfs/dbraw/zinc/00/44/63/465004463.db2.gz HPGJXZPFXJUPHU-MOPGFXCFSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000253416351 465004471 /nfs/dbraw/zinc/00/44/71/465004471.db2.gz HPGJXZPFXJUPHU-MOPGFXCFSA-N 2 2 346.471 2.305 40 0 EEABLP C[C@@H](c1ccccn1)[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302852518 466197649 /nfs/dbraw/zinc/19/76/49/466197649.db2.gz QFBOGZWXLSHDPG-INIZCTEOSA-N 2 2 338.459 2.355 40 0 EEABLP C[NH+]1CCC([NH2+]C2(Cc3cc(-c4ccccc4)on3)COC2)CC1 ZINC000072321928 202363863 /nfs/dbraw/zinc/36/38/63/202363863.db2.gz MXYDCGIWTXZNMS-UHFFFAOYSA-N 2 2 327.428 2.337 40 0 biogenic,in-vitro EEABLP Cc1c[nH]c([C@@H]2COCCN2C(=O)CCn2cc[nH+]c2C(C)C)[nH+]1 ZINC000257213189 244158003 /nfs/dbraw/zinc/15/80/03/244158003.db2.gz CGMUOFPAGFJLPX-AWEZNQCLSA-N 2 2 331.420 2.028 40 0 EEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4cscn4)C3)n2)c[nH+]1 ZINC000257239245 244238625 /nfs/dbraw/zinc/23/86/25/244238625.db2.gz HOOJQQMRZLJOTP-CYBMUJFWSA-N 2 2 326.429 2.498 40 0 EEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4cscn4)C3)n2)c[nH+]1 ZINC000257239245 244238630 /nfs/dbraw/zinc/23/86/30/244238630.db2.gz HOOJQQMRZLJOTP-CYBMUJFWSA-N 2 2 326.429 2.498 40 0 EEABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257269078 244370516 /nfs/dbraw/zinc/37/05/16/244370516.db2.gz MOMBPTMCEIYQND-KRWDZBQOSA-N 2 2 328.464 2.226 40 0 EEABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257269078 244370517 /nfs/dbraw/zinc/37/05/17/244370517.db2.gz MOMBPTMCEIYQND-KRWDZBQOSA-N 2 2 328.464 2.226 40 0 EEABLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](Cc1cccs1)C2 ZINC000096197564 463203743 /nfs/dbraw/zinc/20/37/43/463203743.db2.gz YZMQAIIIHSGSLI-UHFFFAOYSA-N 2 2 344.484 2.307 40 0 EEABLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+](Cc1cccs1)C2 ZINC000096197564 463203745 /nfs/dbraw/zinc/20/37/45/463203745.db2.gz YZMQAIIIHSGSLI-UHFFFAOYSA-N 2 2 344.484 2.307 40 0 EEABLP CC1(C(=O)NCCn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000162148098 276097657 /nfs/dbraw/zinc/09/76/57/276097657.db2.gz UDMVSDFDWSPAQO-UHFFFAOYSA-N 2 2 326.444 2.302 40 0 EEABLP Cn1c[nH+]c(CN2CC[C@@]3(CCC[N@@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257335380 463782524 /nfs/dbraw/zinc/78/25/24/463782524.db2.gz YJXJCHZWDHKSPU-PMACEKPBSA-N 2 2 340.471 2.022 40 0 EEABLP Cn1c[nH+]c(CN2CC[C@@]3(CCC[N@H+]3Cc3ccccc3)[C@@H](O)C2)c1 ZINC000257335380 463782527 /nfs/dbraw/zinc/78/25/27/463782527.db2.gz YJXJCHZWDHKSPU-PMACEKPBSA-N 2 2 340.471 2.022 40 0 EEABLP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000237760951 464375964 /nfs/dbraw/zinc/37/59/64/464375964.db2.gz DNBYZNBUIQIUIS-OAHLLOKOSA-N 2 2 326.444 2.241 40 0 EEABLP Cc1cn2c(cccc2[C@H]2CCC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257336869 463783955 /nfs/dbraw/zinc/78/39/55/463783955.db2.gz YQIYQVJWYJROKC-INIZCTEOSA-N 2 2 329.444 2.364 40 0 EEABLP Cc1cn2c(cccc2[C@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257336869 463783959 /nfs/dbraw/zinc/78/39/59/463783959.db2.gz YQIYQVJWYJROKC-INIZCTEOSA-N 2 2 329.444 2.364 40 0 EEABLP CC(C)Oc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@@H+]2C)cc1 ZINC000257339891 463785809 /nfs/dbraw/zinc/78/58/09/463785809.db2.gz ZDPGDWUOBNJZGZ-SFHVURJKSA-N 2 2 342.443 2.255 40 0 EEABLP CC(C)Oc1ccc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[N@H+]2C)cc1 ZINC000257339891 463785813 /nfs/dbraw/zinc/78/58/13/463785813.db2.gz ZDPGDWUOBNJZGZ-SFHVURJKSA-N 2 2 342.443 2.255 40 0 EEABLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@@H+](Cc1ccsc1)C2 ZINC000096059572 463159447 /nfs/dbraw/zinc/15/94/47/463159447.db2.gz OJQBUVFSNLMUFU-UHFFFAOYSA-N 2 2 344.484 2.307 40 0 EEABLP O=c1cc(C[NH+]2CCCC2)nc2n1CCC[N@H+](Cc1ccsc1)C2 ZINC000096059572 463159450 /nfs/dbraw/zinc/15/94/50/463159450.db2.gz OJQBUVFSNLMUFU-UHFFFAOYSA-N 2 2 344.484 2.307 40 0 EEABLP CC(C)[N@@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096185596 463196987 /nfs/dbraw/zinc/19/69/87/463196987.db2.gz OUIFKLCTDPQRJJ-AOIWGVFYSA-N 2 2 344.503 2.424 40 0 EEABLP CC(C)[N@H+]1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096185596 463196994 /nfs/dbraw/zinc/19/69/94/463196994.db2.gz OUIFKLCTDPQRJJ-AOIWGVFYSA-N 2 2 344.503 2.424 40 0 EEABLP Cc1cccc(N2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000257298954 463767074 /nfs/dbraw/zinc/76/70/74/463767074.db2.gz ROBABPICEWUOFS-INIZCTEOSA-N 2 2 327.432 2.152 40 0 EEABLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000225547097 464171241 /nfs/dbraw/zinc/17/12/41/464171241.db2.gz FFIPYOPPHWKRMS-CQSZACIVSA-N 2 2 332.423 2.334 40 0 EEABLP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@H](Cc3cccnc3)CO2)CC1 ZINC000257220387 244181315 /nfs/dbraw/zinc/18/13/15/244181315.db2.gz DKPXEYIACYAKBB-KRWDZBQOSA-N 2 2 326.444 2.429 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257257792 244288444 /nfs/dbraw/zinc/28/84/44/244288444.db2.gz KRCGWZQTOAEVTN-OAHLLOKOSA-N 2 2 329.448 2.284 40 0 EEABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cn1 ZINC000096046991 463150150 /nfs/dbraw/zinc/15/01/50/463150150.db2.gz PLGXCMOWJVBBFJ-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccn4)C3)C2)cn1 ZINC000096046991 463150156 /nfs/dbraw/zinc/15/01/56/463150156.db2.gz PLGXCMOWJVBBFJ-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC000096046991 463150161 /nfs/dbraw/zinc/15/01/61/463150161.db2.gz PLGXCMOWJVBBFJ-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1 ZINC000096046991 463150164 /nfs/dbraw/zinc/15/01/64/463150164.db2.gz PLGXCMOWJVBBFJ-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C ZINC000252570845 464983228 /nfs/dbraw/zinc/98/32/28/464983228.db2.gz XKJAKVLUUFGBRG-DZOHQFGASA-N 2 2 340.475 2.161 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C ZINC000252570845 464983234 /nfs/dbraw/zinc/98/32/34/464983234.db2.gz XKJAKVLUUFGBRG-DZOHQFGASA-N 2 2 340.475 2.161 40 0 EEABLP C[NH+](C)C[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c[nH+]cn21 ZINC000248067727 276804351 /nfs/dbraw/zinc/80/43/51/276804351.db2.gz AFTIHXXEKSTLRC-IBGZPJMESA-N 2 2 338.455 2.133 40 0 EEABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1cccnc1)CC2 ZINC000096037062 463142964 /nfs/dbraw/zinc/14/29/64/463142964.db2.gz IWWTVSLCCLYEJI-UHFFFAOYSA-N 2 2 325.460 2.413 40 0 EEABLP C[N@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096197093 463203552 /nfs/dbraw/zinc/20/35/52/463203552.db2.gz CFXPEONPRURWGL-INIZCTEOSA-N 2 2 344.459 2.003 40 0 EEABLP C[N@@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C[C@@H]1CCOC1)CC2 ZINC000096197093 463203558 /nfs/dbraw/zinc/20/35/58/463203558.db2.gz CFXPEONPRURWGL-INIZCTEOSA-N 2 2 344.459 2.003 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096197093 463203563 /nfs/dbraw/zinc/20/35/63/463203563.db2.gz CFXPEONPRURWGL-INIZCTEOSA-N 2 2 344.459 2.003 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000096197093 463203567 /nfs/dbraw/zinc/20/35/67/463203567.db2.gz CFXPEONPRURWGL-INIZCTEOSA-N 2 2 344.459 2.003 40 0 EEABLP Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)n1 ZINC000096202046 463206910 /nfs/dbraw/zinc/20/69/10/463206910.db2.gz TXIFBDVGPVMWEN-FQEVSTJZSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)n1 ZINC000096202046 463206917 /nfs/dbraw/zinc/20/69/17/463206917.db2.gz TXIFBDVGPVMWEN-FQEVSTJZSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)n1 ZINC000096202046 463206921 /nfs/dbraw/zinc/20/69/21/463206921.db2.gz TXIFBDVGPVMWEN-FQEVSTJZSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)n1 ZINC000096202046 463206925 /nfs/dbraw/zinc/20/69/25/463206925.db2.gz TXIFBDVGPVMWEN-FQEVSTJZSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1ccccc1NC(=O)CC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000096456391 463275333 /nfs/dbraw/zinc/27/53/33/463275333.db2.gz URNVAIGENWLQEZ-HNNXBMFYSA-N 2 2 346.500 2.433 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@H](c2cnn(C)c2)N(C)C)n1-c1ccccc1 ZINC000084044167 463574323 /nfs/dbraw/zinc/57/43/23/463574323.db2.gz NNKSBDCVHCKLDL-LJQANCHMSA-N 2 2 338.459 2.307 40 0 EEABLP CCCn1cc[nH+]c1CN1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257290066 463764947 /nfs/dbraw/zinc/76/49/47/463764947.db2.gz QBLDJGDSOQWPTA-INIZCTEOSA-N 2 2 329.448 2.104 40 0 EEABLP [NH3+][C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257321087 463776936 /nfs/dbraw/zinc/77/69/36/463776936.db2.gz WAAPSUPPLSPXOL-CGXNFDGLSA-N 2 2 338.451 2.343 40 0 EEABLP [NH3+][C@@H]1CC[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257321087 463776940 /nfs/dbraw/zinc/77/69/40/463776940.db2.gz WAAPSUPPLSPXOL-CGXNFDGLSA-N 2 2 338.451 2.343 40 0 EEABLP COc1ccc(C[C@@H]2C[N@H+](C)CC[C@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723220 563964382 /nfs/dbraw/zinc/96/43/82/563964382.db2.gz YGWHLMHYBRSOGM-GDBMZVCRSA-N 2 2 334.460 2.327 40 0 EEABLP COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723220 563964383 /nfs/dbraw/zinc/96/43/83/563964383.db2.gz YGWHLMHYBRSOGM-GDBMZVCRSA-N 2 2 334.460 2.327 40 0 EEABLP C[NH+](C)CC1(C[NH+](C)C)COc2ccc(Br)cc2C1=O ZINC000034870565 289085122 /nfs/dbraw/zinc/08/51/22/289085122.db2.gz WFJQTRRFAAIGOW-UHFFFAOYSA-N 2 2 341.249 2.134 40 0 EEABLP CC(=O)NC1CCC([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000132521768 323329247 /nfs/dbraw/zinc/32/92/47/323329247.db2.gz DORZABGDTLQAKG-UHFFFAOYSA-N 2 2 339.549 2.385 40 0 EEABLP c1ccc(N2CC[C@]3(C2)COCC[N@@H+](CC2CCOCC2)C3)[nH+]c1 ZINC000096062490 463163539 /nfs/dbraw/zinc/16/35/39/463163539.db2.gz VPVPNJFOPNGNHX-IBGZPJMESA-N 2 2 331.460 2.037 40 0 EEABLP c1ccc(N2CC[C@]3(C2)COCC[N@H+](CC2CCOCC2)C3)[nH+]c1 ZINC000096062490 463163542 /nfs/dbraw/zinc/16/35/42/463163542.db2.gz VPVPNJFOPNGNHX-IBGZPJMESA-N 2 2 331.460 2.037 40 0 EEABLP O=C1CCC2(CCN(c3cccc[nH+]3)CC2)N1CC[NH+]1CCCC1 ZINC000096075411 463168738 /nfs/dbraw/zinc/16/87/38/463168738.db2.gz ZLDBTCXAMONNAD-UHFFFAOYSA-N 2 2 328.460 2.139 40 0 EEABLP Cn1ccnc1C[NH+]1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221282 463218179 /nfs/dbraw/zinc/21/81/79/463218179.db2.gz QCGFHNJHSNQOQQ-OAHLLOKOSA-N 2 2 327.432 2.051 40 0 EEABLP CCOc1ccccc1OCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000096443355 463268721 /nfs/dbraw/zinc/26/87/21/463268721.db2.gz LPROCNOTXGUYLM-SFHVURJKSA-N 2 2 347.503 2.176 40 0 EEABLP CCOc1ccccc1OCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000096443355 463268723 /nfs/dbraw/zinc/26/87/23/463268723.db2.gz LPROCNOTXGUYLM-SFHVURJKSA-N 2 2 347.503 2.176 40 0 EEABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257296316 463767146 /nfs/dbraw/zinc/76/71/46/463767146.db2.gz RCEPXLOAKJAMLK-YSHGAJCASA-N 2 2 348.393 2.305 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257296316 463767153 /nfs/dbraw/zinc/76/71/53/463767153.db2.gz RCEPXLOAKJAMLK-YSHGAJCASA-N 2 2 348.393 2.305 40 0 EEABLP [NH3+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC(=O)Nc1nccs1 ZINC000257303377 463770274 /nfs/dbraw/zinc/77/02/74/463770274.db2.gz SGZAPGGZKCKGDZ-CABCVRRESA-N 2 2 330.457 2.321 40 0 EEABLP [NH3+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCC(=O)Nc1nccs1 ZINC000257303377 463770280 /nfs/dbraw/zinc/77/02/80/463770280.db2.gz SGZAPGGZKCKGDZ-CABCVRRESA-N 2 2 330.457 2.321 40 0 EEABLP Cc1[nH+]c[nH]c1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096073163 527211940 /nfs/dbraw/zinc/21/19/40/527211940.db2.gz ZBTBAMNJVHAGCJ-QGZVFWFLSA-N 2 2 342.443 2.453 40 0 EEABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)[nH+]c2c1 ZINC000035446821 213028264 /nfs/dbraw/zinc/02/82/64/213028264.db2.gz PJZDXWMPQPXDLG-AWEZNQCLSA-N 2 2 342.443 2.372 40 0 biogenic,in-vitro EEABLP COc1ccc2[nH]c([C@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)[nH+]c2c1 ZINC000035446821 213028266 /nfs/dbraw/zinc/02/82/66/213028266.db2.gz PJZDXWMPQPXDLG-AWEZNQCLSA-N 2 2 342.443 2.372 40 0 biogenic,in-vitro EEABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(F)cc1 ZINC000022075272 212276746 /nfs/dbraw/zinc/27/67/46/212276746.db2.gz NIOHEPKTWMKVFX-UHFFFAOYSA-N 2 2 348.418 2.085 40 0 EEABLP CCOC(=O)c1c[nH+]c2cc(Cl)c(OC)cc2c1N1CC[NH2+]CC1 ZINC000064874628 462726187 /nfs/dbraw/zinc/72/61/87/462726187.db2.gz XEPYRELVJANWAL-UHFFFAOYSA-N 2 2 349.818 2.483 40 0 EEABLP Cc1ccc([NH+]2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1 ZINC000219859502 464110891 /nfs/dbraw/zinc/11/08/91/464110891.db2.gz FFLNOAZRMZYQIR-UHFFFAOYSA-N 2 2 345.487 2.050 40 0 EEABLP c1ccc2c(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)ccnc2c1 ZINC000019711030 212057641 /nfs/dbraw/zinc/05/76/41/212057641.db2.gz BNPHANHQQVKCIP-MRXNPFEDSA-N 2 2 348.454 2.309 40 0 EEABLP c1ccc2c(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)ccnc2c1 ZINC000019711030 212057643 /nfs/dbraw/zinc/05/76/43/212057643.db2.gz BNPHANHQQVKCIP-MRXNPFEDSA-N 2 2 348.454 2.309 40 0 EEABLP C[N@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C1CCOCC1)CC2 ZINC000096197094 463203215 /nfs/dbraw/zinc/20/32/15/463203215.db2.gz ACHUBDMRDMOVOR-UHFFFAOYSA-N 2 2 344.459 2.145 40 0 EEABLP C[N@@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C1CCOCC1)CC2 ZINC000096197094 463203218 /nfs/dbraw/zinc/20/32/18/463203218.db2.gz ACHUBDMRDMOVOR-UHFFFAOYSA-N 2 2 344.459 2.145 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@H+](C1CCOCC1)CC2 ZINC000096197094 463203223 /nfs/dbraw/zinc/20/32/23/463203223.db2.gz ACHUBDMRDMOVOR-UHFFFAOYSA-N 2 2 344.459 2.145 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@@H+](C1CCOCC1)CC2 ZINC000096197094 463203229 /nfs/dbraw/zinc/20/32/29/463203229.db2.gz ACHUBDMRDMOVOR-UHFFFAOYSA-N 2 2 344.459 2.145 40 0 EEABLP OCC(CN1CCCCC1)(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000031853020 463356343 /nfs/dbraw/zinc/35/63/43/463356343.db2.gz AEHVYNQIUPBRDI-UHFFFAOYSA-N 2 2 337.552 2.423 40 0 EEABLP Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2c[nH+]c(C)n2C)o1 ZINC000019216453 212005023 /nfs/dbraw/zinc/00/50/23/212005023.db2.gz OQKANTHSMGFHIH-UHFFFAOYSA-N 2 2 346.475 2.354 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257336956 463784781 /nfs/dbraw/zinc/78/47/81/463784781.db2.gz YQTZNOXUDRPYLD-KRWDZBQOSA-N 2 2 326.444 2.351 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257336956 463784788 /nfs/dbraw/zinc/78/47/88/463784788.db2.gz YQTZNOXUDRPYLD-KRWDZBQOSA-N 2 2 326.444 2.351 40 0 EEABLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416354 465004221 /nfs/dbraw/zinc/00/42/21/465004221.db2.gz HPGJXZPFXJUPHU-RTBURBONSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416354 465004222 /nfs/dbraw/zinc/00/42/22/465004222.db2.gz HPGJXZPFXJUPHU-RTBURBONSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000253416354 465004225 /nfs/dbraw/zinc/00/42/25/465004225.db2.gz HPGJXZPFXJUPHU-RTBURBONSA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@H]1CCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000253416354 465004228 /nfs/dbraw/zinc/00/42/28/465004228.db2.gz HPGJXZPFXJUPHU-RTBURBONSA-N 2 2 346.471 2.305 40 0 EEABLP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000079354230 217213831 /nfs/dbraw/zinc/21/38/31/217213831.db2.gz GEXLIBOHSZEPHY-UHFFFAOYSA-N 2 2 330.407 2.318 40 0 EEABLP Cc1cc2ccccc2[nH+]c1NCCCC[NH+]1CCN(CCO)CC1 ZINC000095426269 218368431 /nfs/dbraw/zinc/36/84/31/218368431.db2.gz MXFHSSZRIOOBQM-UHFFFAOYSA-N 2 2 342.487 2.345 40 0 EEABLP c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)nc1 ZINC000096048962 218537192 /nfs/dbraw/zinc/53/71/92/218537192.db2.gz YKFZVTVPKNLARM-UHFFFAOYSA-N 2 2 338.455 2.344 40 0 EEABLP c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)nc1 ZINC000096048962 218537195 /nfs/dbraw/zinc/53/71/95/218537195.db2.gz YKFZVTVPKNLARM-UHFFFAOYSA-N 2 2 338.455 2.344 40 0 EEABLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@]1(O)CCC[N@@H+](C)C1 ZINC000041123501 463467992 /nfs/dbraw/zinc/46/79/92/463467992.db2.gz MLZBUHCRXRZTOA-LJQANCHMSA-N 2 2 328.460 2.035 40 0 EEABLP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@]1(O)CCC[N@H+](C)C1 ZINC000041123501 463467997 /nfs/dbraw/zinc/46/79/97/463467997.db2.gz MLZBUHCRXRZTOA-LJQANCHMSA-N 2 2 328.460 2.035 40 0 EEABLP CN(C)c1cc(CC[C@@H]2C[N@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257328448 463779200 /nfs/dbraw/zinc/77/92/00/463779200.db2.gz XFRCWQWJZZJAGF-GOSISDBHSA-N 2 2 326.444 2.376 40 0 EEABLP CN(C)c1cc(CC[C@@H]2C[N@@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257328448 463779204 /nfs/dbraw/zinc/77/92/04/463779204.db2.gz XFRCWQWJZZJAGF-GOSISDBHSA-N 2 2 326.444 2.376 40 0 EEABLP Cc1nccc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257340306 463786177 /nfs/dbraw/zinc/78/61/77/463786177.db2.gz ZFKVLFQVFJNHNY-SFHVURJKSA-N 2 2 341.459 2.080 40 0 EEABLP Cc1nccc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257340306 463786183 /nfs/dbraw/zinc/78/61/83/463786183.db2.gz ZFKVLFQVFJNHNY-SFHVURJKSA-N 2 2 341.459 2.080 40 0 EEABLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000078604104 217084938 /nfs/dbraw/zinc/08/49/38/217084938.db2.gz ZZRSJZJRFDDFAA-GOSISDBHSA-N 2 2 341.459 2.148 40 0 EEABLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000078604104 217084942 /nfs/dbraw/zinc/08/49/42/217084942.db2.gz ZZRSJZJRFDDFAA-GOSISDBHSA-N 2 2 341.459 2.148 40 0 EEABLP CCN(C)c1ccc(CNc2[nH+]cccc2N2CCOCC2)c[nH+]1 ZINC000573660522 319954001 /nfs/dbraw/zinc/95/40/01/319954001.db2.gz UVQTYWFMZFGNDX-UHFFFAOYSA-N 2 2 327.432 2.381 40 0 EEABLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096075330 463168966 /nfs/dbraw/zinc/16/89/66/463168966.db2.gz TYXKWFXENSNOGG-UHFFFAOYSA-N 2 2 325.460 2.446 40 0 EEABLP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccccn2)CC3)cn1 ZINC000096075330 463168971 /nfs/dbraw/zinc/16/89/71/463168971.db2.gz TYXKWFXENSNOGG-UHFFFAOYSA-N 2 2 325.460 2.446 40 0 EEABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096110908 463180007 /nfs/dbraw/zinc/18/00/07/463180007.db2.gz KTNZGCQXBVRXHT-FXAWDEMLSA-N 2 2 341.455 2.014 40 0 EEABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096110908 463180011 /nfs/dbraw/zinc/18/00/11/463180011.db2.gz KTNZGCQXBVRXHT-FXAWDEMLSA-N 2 2 341.455 2.014 40 0 EEABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096110908 463180013 /nfs/dbraw/zinc/18/00/13/463180013.db2.gz KTNZGCQXBVRXHT-FXAWDEMLSA-N 2 2 341.455 2.014 40 0 EEABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096110908 463180018 /nfs/dbraw/zinc/18/00/18/463180018.db2.gz KTNZGCQXBVRXHT-FXAWDEMLSA-N 2 2 341.455 2.014 40 0 EEABLP c1cncc(C[N@@H+]2CCCn3nnc(C[NH+]4CCCCC4)c3C2)c1 ZINC000096259608 463229694 /nfs/dbraw/zinc/22/96/94/463229694.db2.gz YXVGWYUYPDJXNX-UHFFFAOYSA-N 2 2 326.448 2.065 40 0 EEABLP c1cncc(C[N@H+]2CCCn3nnc(C[NH+]4CCCCC4)c3C2)c1 ZINC000096259608 463229698 /nfs/dbraw/zinc/22/96/98/463229698.db2.gz YXVGWYUYPDJXNX-UHFFFAOYSA-N 2 2 326.448 2.065 40 0 EEABLP CN(C)c1nccc(C[NH2+]C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000096501521 463291227 /nfs/dbraw/zinc/29/12/27/463291227.db2.gz KKIXXXGHZQLDNC-UHFFFAOYSA-N 2 2 343.450 2.436 40 0 EEABLP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)on2)cn1 ZINC000185008086 463735329 /nfs/dbraw/zinc/73/53/29/463735329.db2.gz OJHPWIPXAKCNHB-CQSZACIVSA-N 2 2 338.415 2.404 40 0 EEABLP Cn1cc(-c2cc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)on2)cn1 ZINC000185008086 463735330 /nfs/dbraw/zinc/73/53/30/463735330.db2.gz OJHPWIPXAKCNHB-CQSZACIVSA-N 2 2 338.415 2.404 40 0 EEABLP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CCC34CCCC4)CC2)nc1 ZINC000189059502 464424931 /nfs/dbraw/zinc/42/49/31/464424931.db2.gz KPSJJINCSXNEJJ-QGZVFWFLSA-N 2 2 329.492 2.301 40 0 EEABLP C[N@@H+](Cc1ccco1)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)CC2CC2)C1 ZINC000096067128 463164679 /nfs/dbraw/zinc/16/46/79/463164679.db2.gz VGCJVFKSPXXBLQ-MRXNPFEDSA-N 2 2 342.443 2.367 40 0 EEABLP C[N@H+](Cc1ccco1)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)CC2CC2)C1 ZINC000096067128 463164687 /nfs/dbraw/zinc/16/46/87/463164687.db2.gz VGCJVFKSPXXBLQ-MRXNPFEDSA-N 2 2 342.443 2.367 40 0 EEABLP c1csc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC000096082358 463170947 /nfs/dbraw/zinc/17/09/47/463170947.db2.gz JIXMCNDVOQNPME-IAGOWNOFSA-N 2 2 344.484 2.261 40 0 EEABLP c1csc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC000096082358 463170955 /nfs/dbraw/zinc/17/09/55/463170955.db2.gz JIXMCNDVOQNPME-IAGOWNOFSA-N 2 2 344.484 2.261 40 0 EEABLP c1csc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC000096082358 463170961 /nfs/dbraw/zinc/17/09/61/463170961.db2.gz JIXMCNDVOQNPME-IAGOWNOFSA-N 2 2 344.484 2.261 40 0 EEABLP c1csc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC000096082358 463170966 /nfs/dbraw/zinc/17/09/66/463170966.db2.gz JIXMCNDVOQNPME-IAGOWNOFSA-N 2 2 344.484 2.261 40 0 EEABLP C[NH+](C)C1(C(=O)N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)CCC1 ZINC000096475988 463280227 /nfs/dbraw/zinc/28/02/27/463280227.db2.gz QWUUKOOTQSDTBD-UHFFFAOYSA-N 2 2 341.459 2.086 40 0 EEABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cnccn3)C2)n1C ZINC000257229072 463758529 /nfs/dbraw/zinc/75/85/29/463758529.db2.gz FWPCTQOBIJNLGJ-OAHLLOKOSA-N 2 2 349.442 2.355 40 0 EEABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cnccn3)C2)n1C ZINC000257229072 463758535 /nfs/dbraw/zinc/75/85/35/463758535.db2.gz FWPCTQOBIJNLGJ-OAHLLOKOSA-N 2 2 349.442 2.355 40 0 EEABLP Cc1ccccc1C[N@@H+]1CCO[C@H](c2nccc(C[NH+](C)C)n2)C1 ZINC000257310335 463771747 /nfs/dbraw/zinc/77/17/47/463771747.db2.gz UEQUEIOKYZOSCU-SFHVURJKSA-N 2 2 326.444 2.420 40 0 EEABLP Cc1ccccc1C[N@H+]1CCO[C@H](c2nccc(C[NH+](C)C)n2)C1 ZINC000257310335 463771751 /nfs/dbraw/zinc/77/17/51/463771751.db2.gz UEQUEIOKYZOSCU-SFHVURJKSA-N 2 2 326.444 2.420 40 0 EEABLP C[N@@H+]1CC[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@H]1c1ccccc1 ZINC000252538987 464982621 /nfs/dbraw/zinc/98/26/21/464982621.db2.gz NPJVCTDKZDTPRZ-RHSMWYFYSA-N 2 2 335.415 2.102 40 0 EEABLP C[N@H+]1CC[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@H]1c1ccccc1 ZINC000252538987 464982627 /nfs/dbraw/zinc/98/26/27/464982627.db2.gz NPJVCTDKZDTPRZ-RHSMWYFYSA-N 2 2 335.415 2.102 40 0 EEABLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257269438 244369192 /nfs/dbraw/zinc/36/91/92/244369192.db2.gz MPXSRWRDSSGQOL-SFHVURJKSA-N 2 2 339.443 2.307 40 0 EEABLP COc1ccc(CN(C)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000079354235 217213749 /nfs/dbraw/zinc/21/37/49/217213749.db2.gz CRCUPZNEVOADCA-UHFFFAOYSA-N 2 2 342.443 2.187 40 0 EEABLP Cc1nn(C)c(C)c1C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083476674 257835236 /nfs/dbraw/zinc/83/52/36/257835236.db2.gz XWRPYNYRYCMVEU-UHFFFAOYSA-N 2 2 334.508 2.409 40 0 EEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257328561 463779634 /nfs/dbraw/zinc/77/96/34/463779634.db2.gz XGEOJTOPHCWYDS-OAHLLOKOSA-N 2 2 326.448 2.108 40 0 EEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257328561 463779638 /nfs/dbraw/zinc/77/96/38/463779638.db2.gz XGEOJTOPHCWYDS-OAHLLOKOSA-N 2 2 326.448 2.108 40 0 EEABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccncc1)CC2 ZINC000096037063 463142262 /nfs/dbraw/zinc/14/22/62/463142262.db2.gz JNVODNMVVBXQKE-UHFFFAOYSA-N 2 2 325.460 2.413 40 0 EEABLP C[C@H](c1ccccn1)[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000302852520 466197565 /nfs/dbraw/zinc/19/75/65/466197565.db2.gz QFBOGZWXLSHDPG-MRXNPFEDSA-N 2 2 338.459 2.355 40 0 EEABLP COc1ccc(C[C@@H]2C[N@H+](C)CC[C@@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723226 563964510 /nfs/dbraw/zinc/96/45/10/563964510.db2.gz YGWHLMHYBRSOGM-ZBFHGGJFSA-N 2 2 334.460 2.327 40 0 EEABLP COc1ccc(C[C@@H]2C[N@@H+](C)CC[C@@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723226 563964511 /nfs/dbraw/zinc/96/45/11/563964511.db2.gz YGWHLMHYBRSOGM-ZBFHGGJFSA-N 2 2 334.460 2.327 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000257202842 244123946 /nfs/dbraw/zinc/12/39/46/244123946.db2.gz ANQVLACVJKHVKQ-QGZVFWFLSA-N 2 2 342.443 2.017 40 0 EEABLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229946 244209183 /nfs/dbraw/zinc/20/91/83/244209183.db2.gz GACNECHNCLHQCL-IBGZPJMESA-N 2 2 338.455 2.029 40 0 EEABLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229946 244209191 /nfs/dbraw/zinc/20/91/91/244209191.db2.gz GACNECHNCLHQCL-IBGZPJMESA-N 2 2 338.455 2.029 40 0 EEABLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229946 244209198 /nfs/dbraw/zinc/20/91/98/244209198.db2.gz GACNECHNCLHQCL-IBGZPJMESA-N 2 2 338.455 2.029 40 0 EEABLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229946 244209203 /nfs/dbraw/zinc/20/92/03/244209203.db2.gz GACNECHNCLHQCL-IBGZPJMESA-N 2 2 338.455 2.029 40 0 EEABLP C[NH+](C)CCOCc1cncc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000096189339 463202126 /nfs/dbraw/zinc/20/21/26/463202126.db2.gz SPLKKNVGZLHQCA-UHFFFAOYSA-N 2 2 326.444 2.113 40 0 EEABLP C[NH+](C)CCOCc1cncc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000096189339 463202130 /nfs/dbraw/zinc/20/21/30/463202130.db2.gz SPLKKNVGZLHQCA-UHFFFAOYSA-N 2 2 326.444 2.113 40 0 EEABLP O=C(NCc1c[nH+]c2n1CC[N@@H+](Cc1cccs1)CC2)C1CCC1 ZINC000096197058 463202619 /nfs/dbraw/zinc/20/26/19/463202619.db2.gz OGHCSGBMEPTTEF-UHFFFAOYSA-N 2 2 344.484 2.419 40 0 EEABLP O=C(NCc1c[nH+]c2n1CC[N@H+](Cc1cccs1)CC2)C1CCC1 ZINC000096197058 463202622 /nfs/dbraw/zinc/20/26/22/463202622.db2.gz OGHCSGBMEPTTEF-UHFFFAOYSA-N 2 2 344.484 2.419 40 0 EEABLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096444045 463269400 /nfs/dbraw/zinc/26/94/00/463269400.db2.gz WYUGOOUOZJZIOG-HNNXBMFYSA-N 2 2 330.436 2.284 40 0 EEABLP CCc1cc(N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)nc(C)[nH+]1 ZINC000253426436 465011594 /nfs/dbraw/zinc/01/15/94/465011594.db2.gz OXBNDEZULXXKNV-UHFFFAOYSA-N 2 2 328.464 2.276 40 0 EEABLP CCc1cc(N2CCC[N@H+](Cc3cnn(CC)c3)CC2)nc(C)[nH+]1 ZINC000253426436 465011597 /nfs/dbraw/zinc/01/15/97/465011597.db2.gz OXBNDEZULXXKNV-UHFFFAOYSA-N 2 2 328.464 2.276 40 0 EEABLP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794583 216306785 /nfs/dbraw/zinc/30/67/85/216306785.db2.gz DNFFQAMQNYBFBN-NTPDMAOXSA-N 2 2 327.472 2.186 40 0 EEABLP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794583 216306789 /nfs/dbraw/zinc/30/67/89/216306789.db2.gz DNFFQAMQNYBFBN-NTPDMAOXSA-N 2 2 327.472 2.186 40 0 EEABLP Cc1[nH+]ccn1CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000019713959 212056983 /nfs/dbraw/zinc/05/69/83/212056983.db2.gz XDKJRIIAUXWJGO-UHFFFAOYSA-N 2 2 329.448 2.497 40 0 EEABLP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C1([NH+]2CCOCC2)CCCC1 ZINC000097212823 463348760 /nfs/dbraw/zinc/34/87/60/463348760.db2.gz RYKUXNOZVIVHSH-OAHLLOKOSA-N 2 2 342.443 2.098 40 0 EEABLP CC[N@H+](CCCc1ccccc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257286845 463762530 /nfs/dbraw/zinc/76/25/30/463762530.db2.gz PNHRRYRRAYLBQS-LJQANCHMSA-N 2 2 341.459 2.289 40 0 EEABLP CC[N@@H+](CCCc1ccccc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257286845 463762534 /nfs/dbraw/zinc/76/25/34/463762534.db2.gz PNHRRYRRAYLBQS-LJQANCHMSA-N 2 2 341.459 2.289 40 0 EEABLP C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2)nc1 ZINC000257296806 536020761 /nfs/dbraw/zinc/02/07/61/536020761.db2.gz RELZXJPIWCMBRK-SFHVURJKSA-N 2 2 341.459 2.484 40 0 EEABLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097376110 219019492 /nfs/dbraw/zinc/01/94/92/219019492.db2.gz SXOHCPOZPLNKRR-GOSISDBHSA-N 2 2 326.444 2.335 40 0 EEABLP Cc1cc(N2CC[NH+](CC3=CCCOC3)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697962 463020272 /nfs/dbraw/zinc/02/02/72/463020272.db2.gz CUZQLZFPMMZSBY-IBGZPJMESA-N 3 2 342.487 2.283 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257302363 463769012 /nfs/dbraw/zinc/76/90/12/463769012.db2.gz SCPNCJOXVFGNLJ-HNNXBMFYSA-N 2 2 332.473 2.438 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257302363 463769014 /nfs/dbraw/zinc/76/90/14/463769014.db2.gz SCPNCJOXVFGNLJ-HNNXBMFYSA-N 2 2 332.473 2.438 40 0 EEABLP Cc1[nH+]cc(-c2cccc(C3CCN(C(=O)C[NH+](C)C)CC3)n2)n1C ZINC000585260981 468995516 /nfs/dbraw/zinc/99/55/16/468995516.db2.gz UFRAMZFLEUEONW-UHFFFAOYSA-N 2 2 341.459 2.058 40 0 EEABLP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@@H](Cc3cccnc3)CO2)CC1 ZINC000257220388 244180885 /nfs/dbraw/zinc/18/08/85/244180885.db2.gz DKPXEYIACYAKBB-QGZVFWFLSA-N 2 2 326.444 2.429 40 0 EEABLP CNc1cc(CC[C@@H]2C[N@H+](Cc3cnc(C)nc3)CCO2)cc[nH+]1 ZINC000257246661 244257651 /nfs/dbraw/zinc/25/76/51/244257651.db2.gz IVDOSJNKZVEICV-QGZVFWFLSA-N 2 2 327.432 2.055 40 0 EEABLP CNc1cc(CC[C@@H]2C[N@@H+](Cc3cnc(C)nc3)CCO2)cc[nH+]1 ZINC000257246661 244257655 /nfs/dbraw/zinc/25/76/55/244257655.db2.gz IVDOSJNKZVEICV-QGZVFWFLSA-N 2 2 327.432 2.055 40 0 EEABLP Cc1[nH]c(-c2cccc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)c2)[nH+]c1C ZINC000095351171 218286261 /nfs/dbraw/zinc/28/62/61/218286261.db2.gz RVLCJXGUSZYLSQ-HNNXBMFYSA-N 2 2 341.459 2.268 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000096051981 279383621 /nfs/dbraw/zinc/38/36/21/279383621.db2.gz JPEAGYOGYHJYDX-RDJZCZTQSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000096051981 279383624 /nfs/dbraw/zinc/38/36/24/279383624.db2.gz JPEAGYOGYHJYDX-RDJZCZTQSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051981 279383625 /nfs/dbraw/zinc/38/36/25/279383625.db2.gz JPEAGYOGYHJYDX-RDJZCZTQSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CO[C@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051981 279383629 /nfs/dbraw/zinc/38/36/29/279383629.db2.gz JPEAGYOGYHJYDX-RDJZCZTQSA-N 2 2 339.505 2.091 40 0 EEABLP c1nc2c(ncnc2NC[NH+]2CCCCC2)n1CC[NH+]1CCCCC1 ZINC000000048024 462540451 /nfs/dbraw/zinc/54/04/51/462540451.db2.gz ZNEWLFLQRJIMIN-UHFFFAOYSA-N 2 2 343.479 2.168 40 0 EEABLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2F)CC1)c1cnn(C)c1 ZINC000096477361 463280490 /nfs/dbraw/zinc/28/04/90/463280490.db2.gz FFONHIWDFBZONT-INIZCTEOSA-N 2 2 345.466 2.422 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000107739552 463581000 /nfs/dbraw/zinc/58/10/00/463581000.db2.gz LDYPMYJAQNSMST-WBVHZDCISA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000107739552 463581006 /nfs/dbraw/zinc/58/10/06/463581006.db2.gz LDYPMYJAQNSMST-WBVHZDCISA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000107739552 463581010 /nfs/dbraw/zinc/58/10/10/463581010.db2.gz LDYPMYJAQNSMST-WBVHZDCISA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CC[C@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000107739552 463581016 /nfs/dbraw/zinc/58/10/16/463581016.db2.gz LDYPMYJAQNSMST-WBVHZDCISA-N 2 2 339.505 2.233 40 0 EEABLP Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257263031 463757939 /nfs/dbraw/zinc/75/79/39/463757939.db2.gz LOBWXLLAJAYHJG-INIZCTEOSA-N 2 2 326.448 2.406 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2ccnn2C)C3)nc[nH+]1 ZINC000257231682 244217512 /nfs/dbraw/zinc/21/75/12/244217512.db2.gz GHVGQNPTNCACRF-UHFFFAOYSA-N 2 2 326.448 2.009 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2ccnn2C)C3)nc[nH+]1 ZINC000257231682 244217527 /nfs/dbraw/zinc/21/75/27/244217527.db2.gz GHVGQNPTNCACRF-UHFFFAOYSA-N 2 2 326.448 2.009 40 0 EEABLP c1cnc2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)c2c1 ZINC000019711050 212057278 /nfs/dbraw/zinc/05/72/78/212057278.db2.gz DWJRJBSBJXHJQI-MRXNPFEDSA-N 2 2 348.454 2.309 40 0 EEABLP c1cnc2cccc(C[N@H+]3CCC[C@@H](c4nnc5n4CC[NH2+]C5)C3)c2c1 ZINC000019711050 212057279 /nfs/dbraw/zinc/05/72/79/212057279.db2.gz DWJRJBSBJXHJQI-MRXNPFEDSA-N 2 2 348.454 2.309 40 0 EEABLP CCC[NH+]1CCC(N2CCN(c3nc(C)[nH+]c(C)c3C)CC2)CC1 ZINC000095416525 218355536 /nfs/dbraw/zinc/35/55/36/218355536.db2.gz IFBDWUIVIVHPBN-UHFFFAOYSA-N 2 2 331.508 2.398 40 0 EEABLP C[NH+](C)CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096044171 463149179 /nfs/dbraw/zinc/14/91/79/463149179.db2.gz ASVDELYSUWUQQS-INIZCTEOSA-N 2 2 334.489 2.155 40 0 EEABLP C[NH+](C)CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096044171 463149185 /nfs/dbraw/zinc/14/91/85/463149185.db2.gz ASVDELYSUWUQQS-INIZCTEOSA-N 2 2 334.489 2.155 40 0 EEABLP c1coc(C[N@H+]2Cc3nccn3C[C@@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066859 463164266 /nfs/dbraw/zinc/16/42/66/463164266.db2.gz PZAWDEQUVYACKT-KRWDZBQOSA-N 2 2 344.459 2.221 40 0 EEABLP c1coc(C[N@@H+]2Cc3nccn3C[C@@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066859 463164273 /nfs/dbraw/zinc/16/42/73/463164273.db2.gz PZAWDEQUVYACKT-KRWDZBQOSA-N 2 2 344.459 2.221 40 0 EEABLP c1coc(CN2Cc3[nH+]ccn3C[C@@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066859 463164276 /nfs/dbraw/zinc/16/42/76/463164276.db2.gz PZAWDEQUVYACKT-KRWDZBQOSA-N 2 2 344.459 2.221 40 0 EEABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cn1 ZINC000096100146 463172897 /nfs/dbraw/zinc/17/28/97/463172897.db2.gz DTXDZNSMJLIKFS-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccncc4)C3)C2)cn1 ZINC000096100146 463172902 /nfs/dbraw/zinc/17/29/02/463172902.db2.gz DTXDZNSMJLIKFS-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccncc4)C3)C2)cn1 ZINC000096100146 463172909 /nfs/dbraw/zinc/17/29/09/463172909.db2.gz DTXDZNSMJLIKFS-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)cn1 ZINC000096100146 463172911 /nfs/dbraw/zinc/17/29/11/463172911.db2.gz DTXDZNSMJLIKFS-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052069 463155057 /nfs/dbraw/zinc/15/50/57/463155057.db2.gz ROCBYHMSAWGWIE-MJGOQNOKSA-N 2 2 345.418 2.330 40 0 EEABLP Fc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052069 463155058 /nfs/dbraw/zinc/15/50/58/463155058.db2.gz ROCBYHMSAWGWIE-MJGOQNOKSA-N 2 2 345.418 2.330 40 0 EEABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202172 463206954 /nfs/dbraw/zinc/20/69/54/463206954.db2.gz FWUROYMYZWNWNY-GOSISDBHSA-N 2 2 346.500 2.206 40 0 EEABLP Cn1cc[nH+]c1CN1CCOC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202172 463206956 /nfs/dbraw/zinc/20/69/56/463206956.db2.gz FWUROYMYZWNWNY-GOSISDBHSA-N 2 2 346.500 2.206 40 0 EEABLP c1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202037 463207645 /nfs/dbraw/zinc/20/76/45/463207645.db2.gz IOHSOHQYSKYDPL-HXUWFJFHSA-N 2 2 330.472 2.390 40 0 EEABLP c1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)cc1 ZINC000096202037 463207648 /nfs/dbraw/zinc/20/76/48/463207648.db2.gz IOHSOHQYSKYDPL-HXUWFJFHSA-N 2 2 330.472 2.390 40 0 EEABLP c1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202037 463207651 /nfs/dbraw/zinc/20/76/51/463207651.db2.gz IOHSOHQYSKYDPL-HXUWFJFHSA-N 2 2 330.472 2.390 40 0 EEABLP c1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202037 463207654 /nfs/dbraw/zinc/20/76/54/463207654.db2.gz IOHSOHQYSKYDPL-HXUWFJFHSA-N 2 2 330.472 2.390 40 0 EEABLP C[N@@H+]1CC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@@H]1c1ccccc1 ZINC000225600138 464175508 /nfs/dbraw/zinc/17/55/08/464175508.db2.gz NPJVCTDKZDTPRZ-YOEHRIQHSA-N 2 2 335.415 2.102 40 0 EEABLP C[N@H+]1CC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@@H]1c1ccccc1 ZINC000225600138 464175512 /nfs/dbraw/zinc/17/55/12/464175512.db2.gz NPJVCTDKZDTPRZ-YOEHRIQHSA-N 2 2 335.415 2.102 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072379198 216181160 /nfs/dbraw/zinc/18/11/60/216181160.db2.gz HACBVMMOVMEHPG-HNNXBMFYSA-N 2 2 327.432 2.055 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072379198 216181162 /nfs/dbraw/zinc/18/11/62/216181162.db2.gz HACBVMMOVMEHPG-HNNXBMFYSA-N 2 2 327.432 2.055 40 0 EEABLP Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257221904 244189552 /nfs/dbraw/zinc/18/95/52/244189552.db2.gz DRAPQHMBQUHIAK-QGZVFWFLSA-N 2 2 340.475 2.417 40 0 EEABLP Cc1cc(-c2nccn2C)nc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257221904 244189557 /nfs/dbraw/zinc/18/95/57/244189557.db2.gz DRAPQHMBQUHIAK-QGZVFWFLSA-N 2 2 340.475 2.417 40 0 EEABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257263267 244353224 /nfs/dbraw/zinc/35/32/24/244353224.db2.gz LPBLHNVRYMPEEL-MRXNPFEDSA-N 2 2 340.475 2.498 40 0 EEABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257263267 244353227 /nfs/dbraw/zinc/35/32/27/244353227.db2.gz LPBLHNVRYMPEEL-MRXNPFEDSA-N 2 2 340.475 2.498 40 0 EEABLP C[N@@H+](Cc1ccco1)C[C@H]1Cn2cc[nH+]c2CN(C(=O)CC2CC2)C1 ZINC000096067129 463164028 /nfs/dbraw/zinc/16/40/28/463164028.db2.gz VGCJVFKSPXXBLQ-INIZCTEOSA-N 2 2 342.443 2.367 40 0 EEABLP C[N@H+](Cc1ccco1)C[C@H]1Cn2cc[nH+]c2CN(C(=O)CC2CC2)C1 ZINC000096067129 463164041 /nfs/dbraw/zinc/16/40/41/463164041.db2.gz VGCJVFKSPXXBLQ-INIZCTEOSA-N 2 2 342.443 2.367 40 0 EEABLP C[N@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C[C@H]1CCOC1)CC2 ZINC000107212508 463561373 /nfs/dbraw/zinc/56/13/73/463561373.db2.gz CFXPEONPRURWGL-MRXNPFEDSA-N 2 2 344.459 2.003 40 0 EEABLP C[N@@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](C[C@H]1CCOC1)CC2 ZINC000107212508 463561378 /nfs/dbraw/zinc/56/13/78/463561378.db2.gz CFXPEONPRURWGL-MRXNPFEDSA-N 2 2 344.459 2.003 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000107212508 463561382 /nfs/dbraw/zinc/56/13/82/463561382.db2.gz CFXPEONPRURWGL-MRXNPFEDSA-N 2 2 344.459 2.003 40 0 EEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000107212508 463561385 /nfs/dbraw/zinc/56/13/85/463561385.db2.gz CFXPEONPRURWGL-MRXNPFEDSA-N 2 2 344.459 2.003 40 0 EEABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738965 463581365 /nfs/dbraw/zinc/58/13/65/463581365.db2.gz ROCBYHMSAWGWIE-PKOBYXMFSA-N 2 2 345.418 2.330 40 0 EEABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738965 463581367 /nfs/dbraw/zinc/58/13/67/463581367.db2.gz ROCBYHMSAWGWIE-PKOBYXMFSA-N 2 2 345.418 2.330 40 0 EEABLP CN(C)c1cc(CC[C@@H]2C[N@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257303082 463768474 /nfs/dbraw/zinc/76/84/74/463768474.db2.gz SFRNAYMZLKJSGN-GOSISDBHSA-N 2 2 326.444 2.376 40 0 EEABLP CN(C)c1cc(CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257303082 463768481 /nfs/dbraw/zinc/76/84/81/463768481.db2.gz SFRNAYMZLKJSGN-GOSISDBHSA-N 2 2 326.444 2.376 40 0 EEABLP CC(C)Oc1ccc([C@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@@H+]2C)cc1 ZINC000257323915 463778374 /nfs/dbraw/zinc/77/83/74/463778374.db2.gz WMJLPVZKBDSSNA-LJQANCHMSA-N 2 2 345.487 2.289 40 0 EEABLP CC(C)Oc1ccc([C@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@H+]2C)cc1 ZINC000257323915 463778379 /nfs/dbraw/zinc/77/83/79/463778379.db2.gz WMJLPVZKBDSSNA-LJQANCHMSA-N 2 2 345.487 2.289 40 0 EEABLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc[nH+]1 ZINC000194094442 463790402 /nfs/dbraw/zinc/79/04/02/463790402.db2.gz VMGDSIROGJWKDQ-DTTOXWODSA-N 2 2 343.475 2.034 40 0 EEABLP Nc1[nH+]cnc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1Cl ZINC000225484760 464165131 /nfs/dbraw/zinc/16/51/31/464165131.db2.gz AXNDNYHAMPHRMC-UHFFFAOYSA-N 2 2 339.871 2.041 40 0 EEABLP Cn1nncc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447474 463086854 /nfs/dbraw/zinc/08/68/54/463086854.db2.gz XOPYNWXSWRWJJP-MLGOLLRUSA-N 2 2 337.830 2.390 40 0 EEABLP Cn1nncc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447474 463086856 /nfs/dbraw/zinc/08/68/56/463086856.db2.gz XOPYNWXSWRWJJP-MLGOLLRUSA-N 2 2 337.830 2.390 40 0 EEABLP CC(C)Oc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000096503074 463292962 /nfs/dbraw/zinc/29/29/62/463292962.db2.gz OTRDPQMPSSXFCD-SJPCQFCGSA-N 2 2 345.491 2.011 40 0 EEABLP CC(C)Oc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000096503074 463292968 /nfs/dbraw/zinc/29/29/68/463292968.db2.gz OTRDPQMPSSXFCD-SJPCQFCGSA-N 2 2 345.491 2.011 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C ZINC000225535814 464168746 /nfs/dbraw/zinc/16/87/46/464168746.db2.gz XKJAKVLUUFGBRG-LEUOFYLZSA-N 2 2 340.475 2.161 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C ZINC000225535814 464168751 /nfs/dbraw/zinc/16/87/51/464168751.db2.gz XKJAKVLUUFGBRG-LEUOFYLZSA-N 2 2 340.475 2.161 40 0 EEABLP CCn1cc(C[N@H+]2Cc3ccnn3[C@@H](CC[NH+](CC)CC)C2)cn1 ZINC000585112543 468975155 /nfs/dbraw/zinc/97/51/55/468975155.db2.gz SGFJSEWMEALMSS-SFHVURJKSA-N 2 2 330.480 2.388 40 0 EEABLP CCn1cc(C[N@@H+]2Cc3ccnn3[C@@H](CC[NH+](CC)CC)C2)cn1 ZINC000585112543 468975160 /nfs/dbraw/zinc/97/51/60/468975160.db2.gz SGFJSEWMEALMSS-SFHVURJKSA-N 2 2 330.480 2.388 40 0 EEABLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2F)CC1)c1cnn(C)c1 ZINC000096477363 463280543 /nfs/dbraw/zinc/28/05/43/463280543.db2.gz FFONHIWDFBZONT-MRXNPFEDSA-N 2 2 345.466 2.422 40 0 EEABLP C[NH+](C)CC[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2c[nH+]cn21 ZINC000248095585 464729249 /nfs/dbraw/zinc/72/92/49/464729249.db2.gz GNMRAJYMSDPBEM-OAHLLOKOSA-N 2 2 334.370 2.310 40 0 EEABLP C[N@H+](CC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12)Cc1ccccc1F ZINC000257200951 244118479 /nfs/dbraw/zinc/11/84/79/244118479.db2.gz AFMMYNNTTWLHAJ-MJGOQNOKSA-N 2 2 333.451 2.391 40 0 EEABLP C[N@@H+](CC(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12)Cc1ccccc1F ZINC000257200951 244118484 /nfs/dbraw/zinc/11/84/84/244118484.db2.gz AFMMYNNTTWLHAJ-MJGOQNOKSA-N 2 2 333.451 2.391 40 0 EEABLP CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)c1 ZINC000257242551 244248126 /nfs/dbraw/zinc/24/81/26/244248126.db2.gz IDBVFGQLXZWVEL-KRWDZBQOSA-N 2 2 343.431 2.009 40 0 EEABLP Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2c[nH+]cn2C)o1 ZINC000019216462 212005898 /nfs/dbraw/zinc/00/58/98/212005898.db2.gz RSNXRMKGOUBICX-UHFFFAOYSA-N 2 2 332.448 2.046 40 0 EEABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cnn(C)c3)CC1)[N@@H+](C)CC2 ZINC000096100211 463173299 /nfs/dbraw/zinc/17/32/99/463173299.db2.gz YPMYMXGFORLDNA-UHFFFAOYSA-N 2 2 340.471 2.408 40 0 EEABLP COc1ccc2c(c1)C1(CC[NH+](Cc3cnn(C)c3)CC1)[N@H+](C)CC2 ZINC000096100211 463173303 /nfs/dbraw/zinc/17/33/03/463173303.db2.gz YPMYMXGFORLDNA-UHFFFAOYSA-N 2 2 340.471 2.408 40 0 EEABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188295 463200615 /nfs/dbraw/zinc/20/06/15/463200615.db2.gz CDYCCWHAJLBUCY-HNNXBMFYSA-N 2 2 346.500 2.488 40 0 EEABLP COC[C@H]1CCC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@@H+]1C ZINC000096209195 463211982 /nfs/dbraw/zinc/21/19/82/463211982.db2.gz BMAMYMARNQBOJB-MRXNPFEDSA-N 2 2 332.444 2.491 40 0 EEABLP COC[C@H]1CCC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@H+]1C ZINC000096209195 463211985 /nfs/dbraw/zinc/21/19/85/463211985.db2.gz BMAMYMARNQBOJB-MRXNPFEDSA-N 2 2 332.444 2.491 40 0 EEABLP C[C@@H](CC(=O)N(C)C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000096477497 463281632 /nfs/dbraw/zinc/28/16/32/463281632.db2.gz RSAGWNUCTCSLKZ-HNNXBMFYSA-N 2 2 327.538 2.195 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@H](C)N2CCOC[C@@H]2C)n1-c1ccccc1 ZINC000084024491 463574207 /nfs/dbraw/zinc/57/42/07/463574207.db2.gz VNJSLQRABNJJMJ-HOTGVXAUSA-N 2 2 328.460 2.380 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257303083 463768303 /nfs/dbraw/zinc/76/83/03/463768303.db2.gz SFRNAYMZLKJSGN-SFHVURJKSA-N 2 2 326.444 2.376 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@@H+](Cc3cccnc3)CCO2)cc[nH+]1 ZINC000257303083 463768310 /nfs/dbraw/zinc/76/83/10/463768310.db2.gz SFRNAYMZLKJSGN-SFHVURJKSA-N 2 2 326.444 2.376 40 0 EEABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096052060 463154697 /nfs/dbraw/zinc/15/46/97/463154697.db2.gz JSADXUMHFPAVIW-IAGOWNOFSA-N 2 2 333.457 2.252 40 0 EEABLP c1cn(C[C@@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096052060 463154700 /nfs/dbraw/zinc/15/47/00/463154700.db2.gz JSADXUMHFPAVIW-IAGOWNOFSA-N 2 2 333.457 2.252 40 0 EEABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096052059 463155124 /nfs/dbraw/zinc/15/51/24/463155124.db2.gz JSADXUMHFPAVIW-SJORKVTESA-N 2 2 333.457 2.252 40 0 EEABLP c1cn(C[C@@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000096052059 463155129 /nfs/dbraw/zinc/15/51/29/463155129.db2.gz JSADXUMHFPAVIW-SJORKVTESA-N 2 2 333.457 2.252 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158033 463189357 /nfs/dbraw/zinc/18/93/57/463189357.db2.gz HVGLDYOQQYHBFI-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158033 463189362 /nfs/dbraw/zinc/18/93/62/463189362.db2.gz HVGLDYOQQYHBFI-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)n1 ZINC000096215223 463213558 /nfs/dbraw/zinc/21/35/58/463213558.db2.gz DFUXQNQUKDCFNW-PBHICJAKSA-N 2 2 330.457 2.407 40 0 EEABLP Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)n1 ZINC000096215223 463213563 /nfs/dbraw/zinc/21/35/63/463213563.db2.gz DFUXQNQUKDCFNW-PBHICJAKSA-N 2 2 330.457 2.407 40 0 EEABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)CCc2ccccc2)C1 ZINC000096188265 282141230 /nfs/dbraw/zinc/14/12/30/282141230.db2.gz DNBNSBLOQJWESD-KRWDZBQOSA-N 2 2 326.444 2.036 40 0 EEABLP O=C(NCCC[NH+]1CCCCC1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000019932308 212086429 /nfs/dbraw/zinc/08/64/29/212086429.db2.gz AOUZISZIZGNBCU-UHFFFAOYSA-N 2 2 345.487 2.125 40 0 EEABLP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000333407948 312142990 /nfs/dbraw/zinc/14/29/90/312142990.db2.gz ZMDBFGURFRMULG-WBVHZDCISA-N 2 2 343.431 2.085 40 0 EEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000022075561 463045245 /nfs/dbraw/zinc/04/52/45/463045245.db2.gz BOKMHIPGBDJISG-OAHLLOKOSA-N 2 2 332.419 2.465 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000096051982 463154476 /nfs/dbraw/zinc/15/44/76/463154476.db2.gz JPEAGYOGYHJYDX-WBVHZDCISA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000096051982 463154479 /nfs/dbraw/zinc/15/44/79/463154479.db2.gz JPEAGYOGYHJYDX-WBVHZDCISA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000096051982 463154483 /nfs/dbraw/zinc/15/44/83/463154483.db2.gz JPEAGYOGYHJYDX-WBVHZDCISA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@@H]1CO[C@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000096051982 463154489 /nfs/dbraw/zinc/15/44/89/463154489.db2.gz JPEAGYOGYHJYDX-WBVHZDCISA-N 2 2 339.505 2.091 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257253956 244275214 /nfs/dbraw/zinc/27/52/14/244275214.db2.gz KBABREPZGPGOFN-OAHLLOKOSA-N 2 2 327.432 2.270 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257257791 244287626 /nfs/dbraw/zinc/28/76/26/244287626.db2.gz KRCGWZQTOAEVTN-HNNXBMFYSA-N 2 2 329.448 2.284 40 0 EEABLP Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)o1 ZINC000096057927 463160217 /nfs/dbraw/zinc/16/02/17/463160217.db2.gz GKIPIXHVKWPWTG-IPMKNSEASA-N 2 2 334.460 2.432 40 0 EEABLP Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)o1 ZINC000096057927 463160222 /nfs/dbraw/zinc/16/02/22/463160222.db2.gz GKIPIXHVKWPWTG-IPMKNSEASA-N 2 2 334.460 2.432 40 0 EEABLP C[N@@H+](Cc1cn2c(n1)C[NH+](CC1CCOCC1)CC2)Cc1ccco1 ZINC000096059537 463160429 /nfs/dbraw/zinc/16/04/29/463160429.db2.gz AZAMFSSEGSUXGY-UHFFFAOYSA-N 2 2 344.459 2.350 40 0 EEABLP C[N@H+](Cc1cn2c(n1)C[NH+](CC1CCOCC1)CC2)Cc1ccco1 ZINC000096059537 463160434 /nfs/dbraw/zinc/16/04/34/463160434.db2.gz AZAMFSSEGSUXGY-UHFFFAOYSA-N 2 2 344.459 2.350 40 0 EEABLP C[NH+](Cc1cn2c(n1)C[N@@H+](CC1CCOCC1)CC2)Cc1ccco1 ZINC000096059537 463160439 /nfs/dbraw/zinc/16/04/39/463160439.db2.gz AZAMFSSEGSUXGY-UHFFFAOYSA-N 2 2 344.459 2.350 40 0 EEABLP C[NH+](Cc1cn2c(n1)C[N@H+](CC1CCOCC1)CC2)Cc1ccco1 ZINC000096059537 463160444 /nfs/dbraw/zinc/16/04/44/463160444.db2.gz AZAMFSSEGSUXGY-UHFFFAOYSA-N 2 2 344.459 2.350 40 0 EEABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062466 463163753 /nfs/dbraw/zinc/16/37/53/463163753.db2.gz RTIOIZWVDLRWJD-LJQANCHMSA-N 2 2 342.443 2.415 40 0 EEABLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062466 463163755 /nfs/dbraw/zinc/16/37/55/463163755.db2.gz RTIOIZWVDLRWJD-LJQANCHMSA-N 2 2 342.443 2.415 40 0 EEABLP c1cc2[nH+]ccc(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2s1 ZINC000096427301 463257390 /nfs/dbraw/zinc/25/73/90/463257390.db2.gz VRONYHFOEHQXPG-CJNGLKHVSA-N 2 2 333.457 2.446 40 0 EEABLP Nc1nc(-n2cccn2)cc(NCc2ccccc2-n2cc[nH+]c2)[nH+]1 ZINC000097104690 463325519 /nfs/dbraw/zinc/32/55/19/463325519.db2.gz QRLDSQHASKQVOY-UHFFFAOYSA-N 2 2 332.371 2.042 40 0 EEABLP NC(=O)c1cccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000083476659 463548211 /nfs/dbraw/zinc/54/82/11/463548211.db2.gz URVMDBMUCXPBQM-UHFFFAOYSA-N 2 2 345.487 2.158 40 0 EEABLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044849118 463695393 /nfs/dbraw/zinc/69/53/93/463695393.db2.gz AQXZIGXKPDJIAS-UHFFFAOYSA-N 2 2 347.422 2.289 40 0 EEABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2F)[C@@H]1O ZINC000257337790 463784934 /nfs/dbraw/zinc/78/49/34/463784934.db2.gz YUJZLCNTOWOBKW-YSHGAJCASA-N 2 2 330.403 2.166 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2F)[C@@H]1O ZINC000257337790 463784941 /nfs/dbraw/zinc/78/49/41/463784941.db2.gz YUJZLCNTOWOBKW-YSHGAJCASA-N 2 2 330.403 2.166 40 0 EEABLP c1csc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202032 463206722 /nfs/dbraw/zinc/20/67/22/463206722.db2.gz MXAVJJUNPUHLGY-SFHVURJKSA-N 2 2 336.501 2.451 40 0 EEABLP c1csc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)c1 ZINC000096202032 463206724 /nfs/dbraw/zinc/20/67/24/463206724.db2.gz MXAVJJUNPUHLGY-SFHVURJKSA-N 2 2 336.501 2.451 40 0 EEABLP c1csc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)c1 ZINC000096202032 463206727 /nfs/dbraw/zinc/20/67/27/463206727.db2.gz MXAVJJUNPUHLGY-SFHVURJKSA-N 2 2 336.501 2.451 40 0 EEABLP c1csc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202032 463206733 /nfs/dbraw/zinc/20/67/33/463206733.db2.gz MXAVJJUNPUHLGY-SFHVURJKSA-N 2 2 336.501 2.451 40 0 EEABLP C[C@@H](c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1)[NH+]1CCOCC1 ZINC000096410659 463244302 /nfs/dbraw/zinc/24/43/02/463244302.db2.gz KPHXSJHNFHQUFZ-HNNXBMFYSA-N 2 2 343.431 2.098 40 0 EEABLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080114161 463283618 /nfs/dbraw/zinc/28/36/18/463283618.db2.gz MSWFHTKQORVWDB-DOTOQJQBSA-N 2 2 341.459 2.272 40 0 EEABLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080114161 463283624 /nfs/dbraw/zinc/28/36/24/463283624.db2.gz MSWFHTKQORVWDB-DOTOQJQBSA-N 2 2 341.459 2.272 40 0 EEABLP Cc1cccc(N2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)[nH+]1 ZINC000257298955 463767860 /nfs/dbraw/zinc/76/78/60/463767860.db2.gz ROBABPICEWUOFS-MRXNPFEDSA-N 2 2 327.432 2.152 40 0 EEABLP O[C@H]1CN(Cc2c[nH+]c[nH]2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257301155 463768874 /nfs/dbraw/zinc/76/88/74/463768874.db2.gz RXFDSGGTAMFLET-OALUTQOASA-N 2 2 326.444 2.011 40 0 EEABLP O[C@H]1CN(Cc2c[nH+]c[nH]2)CC[C@@]12CCC[N@H+]2Cc1ccccc1 ZINC000257301155 463768880 /nfs/dbraw/zinc/76/88/80/463768880.db2.gz RXFDSGGTAMFLET-OALUTQOASA-N 2 2 326.444 2.011 40 0 EEABLP O[C@H]1CN(Cc2c[nH]c[nH+]2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257301155 463768885 /nfs/dbraw/zinc/76/88/85/463768885.db2.gz RXFDSGGTAMFLET-OALUTQOASA-N 2 2 326.444 2.011 40 0 EEABLP O[C@H]1CN(Cc2c[nH]c[nH+]2)CC[C@@]12CCC[N@H+]2Cc1ccccc1 ZINC000257301155 463768891 /nfs/dbraw/zinc/76/88/91/463768891.db2.gz RXFDSGGTAMFLET-OALUTQOASA-N 2 2 326.444 2.011 40 0 EEABLP CCc1nn(C)c(OC)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000195556668 464076069 /nfs/dbraw/zinc/07/60/69/464076069.db2.gz OJLYAFMJZZDFTD-AWEZNQCLSA-N 2 2 331.464 2.179 40 0 EEABLP CCc1nn(C)c(OC)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000195556668 464076072 /nfs/dbraw/zinc/07/60/72/464076072.db2.gz OJLYAFMJZZDFTD-AWEZNQCLSA-N 2 2 331.464 2.179 40 0 EEABLP Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)[nH+]1 ZINC000585181437 468996243 /nfs/dbraw/zinc/99/62/43/468996243.db2.gz NUICQVMLAMMXNE-OAHLLOKOSA-N 2 2 329.448 2.455 40 0 EEABLP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C)CC3)C2(C)C)no1 ZINC000067889795 215242724 /nfs/dbraw/zinc/24/27/24/215242724.db2.gz RZKOEQGQKKDQJM-KDOFPFPSSA-N 3 2 334.508 2.377 40 0 biogenic,in-vitro EEABLP C[NH+](C)Cc1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1 ZINC000067897789 215245500 /nfs/dbraw/zinc/24/55/00/215245500.db2.gz VBNNNEAVMPFURV-UHFFFAOYSA-N 2 2 335.835 2.491 40 0 biogenic,in-vitro EEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379013 216181576 /nfs/dbraw/zinc/18/15/76/216181576.db2.gz ZVHMYHKOMFODNF-OAHLLOKOSA-N 2 2 327.432 2.055 40 0 EEABLP COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710767 212056927 /nfs/dbraw/zinc/05/69/27/212056927.db2.gz FPLVPJOLYNLDKJ-MRXNPFEDSA-N 2 2 341.459 2.078 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710767 212056930 /nfs/dbraw/zinc/05/69/30/212056930.db2.gz FPLVPJOLYNLDKJ-MRXNPFEDSA-N 2 2 341.459 2.078 40 0 EEABLP CNc1cc(C[N@H+](C)Cc2cnc(C)s2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760062 463021098 /nfs/dbraw/zinc/02/10/98/463021098.db2.gz TWRAEKWJYHNDJV-CQSZACIVSA-N 2 2 332.477 2.340 40 0 EEABLP CNc1cc(C[N@@H+](C)Cc2cnc(C)s2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760062 463021100 /nfs/dbraw/zinc/02/11/00/463021100.db2.gz TWRAEKWJYHNDJV-CQSZACIVSA-N 2 2 332.477 2.340 40 0 EEABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096058953 463159843 /nfs/dbraw/zinc/15/98/43/463159843.db2.gz JASIOCKPPBTAHD-UHFFFAOYSA-N 2 2 331.439 2.316 40 0 EEABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096058953 463159848 /nfs/dbraw/zinc/15/98/48/463159848.db2.gz JASIOCKPPBTAHD-UHFFFAOYSA-N 2 2 331.439 2.316 40 0 EEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096058953 463159854 /nfs/dbraw/zinc/15/98/54/463159854.db2.gz JASIOCKPPBTAHD-UHFFFAOYSA-N 2 2 331.439 2.316 40 0 EEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096058953 463159857 /nfs/dbraw/zinc/15/98/57/463159857.db2.gz JASIOCKPPBTAHD-UHFFFAOYSA-N 2 2 331.439 2.316 40 0 EEABLP CCCn1cc[nH+]c1CN1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257290067 463763931 /nfs/dbraw/zinc/76/39/31/463763931.db2.gz QBLDJGDSOQWPTA-MRXNPFEDSA-N 2 2 329.448 2.104 40 0 EEABLP CC(=O)Nc1ccccc1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092703892 203086229 /nfs/dbraw/zinc/08/62/29/203086229.db2.gz ZZIJEAGWBCTSSR-UHFFFAOYSA-N 2 2 339.443 2.374 40 0 EEABLP C[NH+](C)CC[C@@H](Nc1nc[nH+]c2c1NC(=O)CN2)c1ccc(F)cc1 ZINC000041121570 204006177 /nfs/dbraw/zinc/00/61/77/204006177.db2.gz DPKOSCQBMZNTOV-CYBMUJFWSA-N 2 2 344.394 2.085 40 0 EEABLP C[NH+](C)CC[C@@H](Nc1[nH+]cnc2c1NC(=O)CN2)c1ccc(F)cc1 ZINC000041121570 204006180 /nfs/dbraw/zinc/00/61/80/204006180.db2.gz DPKOSCQBMZNTOV-CYBMUJFWSA-N 2 2 344.394 2.085 40 0 EEABLP Cn1cncc1C[N@@H+]1CCC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107787589 204247178 /nfs/dbraw/zinc/24/71/78/204247178.db2.gz LPSMTTFQSYKDPX-CRAIPNDOSA-N 2 2 327.432 2.051 40 0 EEABLP Cn1cncc1C[N@H+]1CCC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107787589 204247181 /nfs/dbraw/zinc/24/71/81/204247181.db2.gz LPSMTTFQSYKDPX-CRAIPNDOSA-N 2 2 327.432 2.051 40 0 EEABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@@H+](Cc2ccco2)CC3)nn1 ZINC000096197132 463202970 /nfs/dbraw/zinc/20/29/70/463202970.db2.gz GCQZOAMABJBNCH-UHFFFAOYSA-N 2 2 338.415 2.245 40 0 EEABLP Cc1ccc(NCc2c[nH+]c3n2CC[N@H+](Cc2ccco2)CC3)nn1 ZINC000096197132 463202975 /nfs/dbraw/zinc/20/29/75/463202975.db2.gz GCQZOAMABJBNCH-UHFFFAOYSA-N 2 2 338.415 2.245 40 0 EEABLP C[N@H+](Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257289281 463762654 /nfs/dbraw/zinc/76/26/54/463762654.db2.gz PXXALJCFDWGZFK-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP C[N@@H+](Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257289281 463762660 /nfs/dbraw/zinc/76/26/60/463762660.db2.gz PXXALJCFDWGZFK-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP c1[nH+]cn2c1C[N@@H+](CC1CCOCC1)C[C@H]2COCc1ccncc1 ZINC000263621721 464135614 /nfs/dbraw/zinc/13/56/14/464135614.db2.gz BYICZFIPYPVNKA-IBGZPJMESA-N 2 2 342.443 2.278 40 0 EEABLP c1[nH+]cn2c1C[N@H+](CC1CCOCC1)C[C@H]2COCc1ccncc1 ZINC000263621721 464135622 /nfs/dbraw/zinc/13/56/22/464135622.db2.gz BYICZFIPYPVNKA-IBGZPJMESA-N 2 2 342.443 2.278 40 0 EEABLP C[N@@H+]1CC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@H]1c1ccccc1 ZINC000252538988 464983046 /nfs/dbraw/zinc/98/30/46/464983046.db2.gz NPJVCTDKZDTPRZ-WMLDXEAASA-N 2 2 335.415 2.102 40 0 EEABLP C[N@H+]1CC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)[C@H]1c1ccccc1 ZINC000252538988 464983050 /nfs/dbraw/zinc/98/30/50/464983050.db2.gz NPJVCTDKZDTPRZ-WMLDXEAASA-N 2 2 335.415 2.102 40 0 EEABLP Cc1ncsc1C[N@@H+]1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134504 466491916 /nfs/dbraw/zinc/49/19/16/466491916.db2.gz NPJRKJLXSQLRMA-RBSFLKMASA-N 2 2 330.457 2.405 40 0 EEABLP Cc1ncsc1C[N@H+]1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134504 466491924 /nfs/dbraw/zinc/49/19/24/466491924.db2.gz NPJRKJLXSQLRMA-RBSFLKMASA-N 2 2 330.457 2.405 40 0 EEABLP COc1ncccc1C[N@@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134719 466492010 /nfs/dbraw/zinc/49/20/10/466492010.db2.gz NVZCSQAGZXWINU-GVDBMIGSSA-N 2 2 340.427 2.044 40 0 EEABLP COc1ncccc1C[N@H+]1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306134719 466492019 /nfs/dbraw/zinc/49/20/19/466492019.db2.gz NVZCSQAGZXWINU-GVDBMIGSSA-N 2 2 340.427 2.044 40 0 EEABLP C[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)n1cc[nH+]c1 ZINC000078774625 202399987 /nfs/dbraw/zinc/39/99/87/202399987.db2.gz KLWYZSKWARCBAO-CQSZACIVSA-N 2 2 339.399 2.375 40 0 EEABLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1C ZINC000195558124 241006292 /nfs/dbraw/zinc/00/62/92/241006292.db2.gz HLGXPEGTYVTYFF-HNNXBMFYSA-N 2 2 333.476 2.207 40 0 EEABLP C[NH+](C)C[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c[nH+]cn21 ZINC000248067731 243517424 /nfs/dbraw/zinc/51/74/24/243517424.db2.gz AFTIHXXEKSTLRC-LJQANCHMSA-N 2 2 338.455 2.133 40 0 EEABLP COc1ccc2c(c1)C[N@H+](C1CC[NH+](C)CC1)CC[C@H]1COC(=O)N21 ZINC000225490655 286399037 /nfs/dbraw/zinc/39/90/37/286399037.db2.gz GZCORPFPHANGOW-INIZCTEOSA-N 2 2 345.443 2.320 40 0 biogenic,in-vitro EEABLP COc1ccc2c(c1)C[N@@H+](C1CC[NH+](C)CC1)CC[C@H]1COC(=O)N21 ZINC000225490655 286399038 /nfs/dbraw/zinc/39/90/38/286399038.db2.gz GZCORPFPHANGOW-INIZCTEOSA-N 2 2 345.443 2.320 40 0 biogenic,in-vitro EEABLP Cn1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cn1 ZINC000096049313 463152690 /nfs/dbraw/zinc/15/26/90/463152690.db2.gz HANLAWALXCRESU-UHFFFAOYSA-N 2 2 325.460 2.446 40 0 EEABLP Cn1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)cn1 ZINC000096049313 463152695 /nfs/dbraw/zinc/15/26/95/463152695.db2.gz HANLAWALXCRESU-UHFFFAOYSA-N 2 2 325.460 2.446 40 0 EEABLP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C1([NH+]2CCOCC2)CCCC1 ZINC000097212822 463348701 /nfs/dbraw/zinc/34/87/01/463348701.db2.gz RYKUXNOZVIVHSH-HNNXBMFYSA-N 2 2 342.443 2.098 40 0 EEABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O ZINC000257286572 463763495 /nfs/dbraw/zinc/76/34/95/463763495.db2.gz PMBLMZOQNHWNOR-YRXWBPOGSA-N 2 2 348.393 2.305 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O ZINC000257286572 463763500 /nfs/dbraw/zinc/76/35/00/463763500.db2.gz PMBLMZOQNHWNOR-YRXWBPOGSA-N 2 2 348.393 2.305 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257336957 463784204 /nfs/dbraw/zinc/78/42/04/463784204.db2.gz YQTZNOXUDRPYLD-QGZVFWFLSA-N 2 2 326.444 2.351 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257336957 463784209 /nfs/dbraw/zinc/78/42/09/463784209.db2.gz YQTZNOXUDRPYLD-QGZVFWFLSA-N 2 2 326.444 2.351 40 0 EEABLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)nc[nH+]1 ZINC000194094468 463790066 /nfs/dbraw/zinc/79/00/66/463790066.db2.gz VMGDSIROGJWKDQ-MJSCVDMRSA-N 2 2 343.475 2.034 40 0 EEABLP O[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257272429 244382566 /nfs/dbraw/zinc/38/25/66/244382566.db2.gz NCJIIWAWFOBZDV-HKUYNNGSSA-N 2 2 326.444 2.011 40 0 EEABLP O[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@]12CCC[N@H+]2Cc1ccccc1 ZINC000257272429 244382574 /nfs/dbraw/zinc/38/25/74/244382574.db2.gz NCJIIWAWFOBZDV-HKUYNNGSSA-N 2 2 326.444 2.011 40 0 EEABLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)nc[nH+]1 ZINC000248818373 277043405 /nfs/dbraw/zinc/04/34/05/277043405.db2.gz VMGDSIROGJWKDQ-IHETXDGRSA-N 2 2 343.475 2.034 40 0 EEABLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000078925061 463166727 /nfs/dbraw/zinc/16/67/27/463166727.db2.gz MNYUTMIMAZQVLM-DLBZAZTESA-N 2 2 341.459 2.188 40 0 EEABLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000078925061 463166736 /nfs/dbraw/zinc/16/67/36/463166736.db2.gz MNYUTMIMAZQVLM-DLBZAZTESA-N 2 2 341.459 2.188 40 0 EEABLP Cn1cncc1C[N@@H+]1CCC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096073731 463167453 /nfs/dbraw/zinc/16/74/53/463167453.db2.gz LPSMTTFQSYKDPX-MAUKXSAKSA-N 2 2 327.432 2.051 40 0 EEABLP Cn1cncc1C[N@H+]1CCC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096073731 463167455 /nfs/dbraw/zinc/16/74/55/463167455.db2.gz LPSMTTFQSYKDPX-MAUKXSAKSA-N 2 2 327.432 2.051 40 0 EEABLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc[nH+]4)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC000096185660 463197756 /nfs/dbraw/zinc/19/77/56/463197756.db2.gz HVBJQPYMHKBMMT-SQNIBIBYSA-N 2 2 338.459 2.053 40 0 EEABLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cccc[nH+]4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC000096185660 463197759 /nfs/dbraw/zinc/19/77/59/463197759.db2.gz HVBJQPYMHKBMMT-SQNIBIBYSA-N 2 2 338.459 2.053 40 0 EEABLP CCc1[nH]c(C[N@@H+]2CC[C@@](O)(COc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000585279153 469005381 /nfs/dbraw/zinc/00/53/81/469005381.db2.gz WDMLUEVJXDENBE-SFHVURJKSA-N 2 2 333.407 2.435 40 0 EEABLP CCc1[nH]c(C[N@H+]2CC[C@@](O)(COc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000585279153 469005386 /nfs/dbraw/zinc/00/53/86/469005386.db2.gz WDMLUEVJXDENBE-SFHVURJKSA-N 2 2 333.407 2.435 40 0 EEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257269630 244372424 /nfs/dbraw/zinc/37/24/24/244372424.db2.gz MQSVLYLRKQJKAW-ZRNYENFQSA-N 2 2 344.430 2.208 40 0 EEABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257269630 244372427 /nfs/dbraw/zinc/37/24/27/244372427.db2.gz MQSVLYLRKQJKAW-ZRNYENFQSA-N 2 2 344.430 2.208 40 0 EEABLP CN(C)P1(N(C)C)=[NH+]P(N(C)C)(N(C)C)=[NH+]P(N)(N)=N1 ZINC000004794947 462638378 /nfs/dbraw/zinc/63/83/78/462638378.db2.gz RWHMVYGYGLHYTL-UHFFFAOYSA-N 2 2 343.297 2.002 40 0 EEABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cn1 ZINC000096046992 463150730 /nfs/dbraw/zinc/15/07/30/463150730.db2.gz PLGXCMOWJVBBFJ-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccn4)C3)C2)cn1 ZINC000096046992 463150733 /nfs/dbraw/zinc/15/07/33/463150733.db2.gz PLGXCMOWJVBBFJ-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cn1 ZINC000096046992 463150737 /nfs/dbraw/zinc/15/07/37/463150737.db2.gz PLGXCMOWJVBBFJ-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1 ZINC000096046992 463150740 /nfs/dbraw/zinc/15/07/40/463150740.db2.gz PLGXCMOWJVBBFJ-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cc1c(C[N@@H+]2CCC[C@@H]2c2cncc(C[NH+]3CCCC3)n2)cnn1C ZINC000257305446 463770851 /nfs/dbraw/zinc/77/08/51/463770851.db2.gz SPZSQJJDPUIACE-LJQANCHMSA-N 2 2 340.475 2.451 40 0 EEABLP Cc1c(C[N@H+]2CCC[C@@H]2c2cncc(C[NH+]3CCCC3)n2)cnn1C ZINC000257305446 463770856 /nfs/dbraw/zinc/77/08/56/463770856.db2.gz SPZSQJJDPUIACE-LJQANCHMSA-N 2 2 340.475 2.451 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257341427 463785454 /nfs/dbraw/zinc/78/54/54/463785454.db2.gz ZKGIGDSBIIZGLM-OAHLLOKOSA-N 2 2 327.432 2.288 40 0 EEABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257262134 244349553 /nfs/dbraw/zinc/34/95/53/244349553.db2.gz LKGBRZBNMZLPNC-ZRNYENFQSA-N 2 2 326.440 2.417 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257262134 244349560 /nfs/dbraw/zinc/34/95/60/244349560.db2.gz LKGBRZBNMZLPNC-ZRNYENFQSA-N 2 2 326.440 2.417 40 0 EEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000022075563 463045938 /nfs/dbraw/zinc/04/59/38/463045938.db2.gz BOKMHIPGBDJISG-HNNXBMFYSA-N 2 2 332.419 2.465 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000096052308 463156731 /nfs/dbraw/zinc/15/67/31/463156731.db2.gz LDYPMYJAQNSMST-NVXWUHKLSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000096052308 463156733 /nfs/dbraw/zinc/15/67/33/463156733.db2.gz LDYPMYJAQNSMST-NVXWUHKLSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000096052308 463156735 /nfs/dbraw/zinc/15/67/35/463156735.db2.gz LDYPMYJAQNSMST-NVXWUHKLSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CC[C@@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000096052308 463156736 /nfs/dbraw/zinc/15/67/36/463156736.db2.gz LDYPMYJAQNSMST-NVXWUHKLSA-N 2 2 339.505 2.233 40 0 EEABLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099719 468969044 /nfs/dbraw/zinc/96/90/44/468969044.db2.gz ZOVOFPDWRLTYIH-IBGZPJMESA-N 2 2 330.476 2.425 40 0 EEABLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099719 468969049 /nfs/dbraw/zinc/96/90/49/468969049.db2.gz ZOVOFPDWRLTYIH-IBGZPJMESA-N 2 2 330.476 2.425 40 0 EEABLP CC[NH+](CC)CC[C@@H]1C[N@H+](Cc2cc(C)nn2C)Cc2ccnn21 ZINC000585111875 468975017 /nfs/dbraw/zinc/97/50/17/468975017.db2.gz DPYJYSQYFSKCQH-QGZVFWFLSA-N 2 2 330.480 2.214 40 0 EEABLP CC[NH+](CC)CC[C@@H]1C[N@@H+](Cc2cc(C)nn2C)Cc2ccnn21 ZINC000585111875 468975020 /nfs/dbraw/zinc/97/50/20/468975020.db2.gz DPYJYSQYFSKCQH-QGZVFWFLSA-N 2 2 330.480 2.214 40 0 EEABLP CN1OC2(CC1=O)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001549163007 1121133921 /nfs/dbraw/zinc/13/39/21/1121133921.db2.gz XRZHJVKFCZSPNZ-UHFFFAOYSA-N 2 2 326.400 2.001 40 0 EEABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@@H+]1C ZINC000096209194 463212510 /nfs/dbraw/zinc/21/25/10/463212510.db2.gz BMAMYMARNQBOJB-INIZCTEOSA-N 2 2 332.444 2.491 40 0 EEABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)[N@H+]1C ZINC000096209194 463212515 /nfs/dbraw/zinc/21/25/15/463212515.db2.gz BMAMYMARNQBOJB-INIZCTEOSA-N 2 2 332.444 2.491 40 0 EEABLP Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCn3cc[nH+]c3)C2)[nH+]1 ZINC000257339047 463784652 /nfs/dbraw/zinc/78/46/52/463784652.db2.gz YZZKYWPPOHLWLQ-MRXNPFEDSA-N 2 2 327.432 2.104 40 0 EEABLP COc1ccccc1CNc1[nH+]cnc2c1cnn2C1CC[NH2+]CC1 ZINC000228934742 464192358 /nfs/dbraw/zinc/19/23/58/464192358.db2.gz LDUYSFAXNIIBBC-UHFFFAOYSA-N 2 2 338.415 2.372 40 0 EEABLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245304960 464469423 /nfs/dbraw/zinc/46/94/23/464469423.db2.gz HHTKKTCHXFIKJL-FMKPAKJESA-N 2 2 346.475 2.426 40 0 EEABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[NH+]2CCCCC2)CO3)nc[nH+]1 ZINC000248084389 464728827 /nfs/dbraw/zinc/72/88/27/464728827.db2.gz DJBCJSWLZHCHNU-MRXNPFEDSA-N 2 2 345.491 2.014 40 0 EEABLP CN(C)c1cc(N2CC3(C2)CC[C@H](C[NH+]2CCCCC2)CO3)[nH+]cn1 ZINC000248084389 464728831 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C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257287394 463763434 /nfs/dbraw/zinc/76/34/34/463763434.db2.gz PPUBVKGJZFNBEV-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257287394 463763438 /nfs/dbraw/zinc/76/34/38/463763438.db2.gz PPUBVKGJZFNBEV-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP CC(=O)N1CCC(O)(C[NH+]2CCC(Cc3cc[nH+]c(C)c3)CC2)CC1 ZINC000257317168 463775179 /nfs/dbraw/zinc/77/51/79/463775179.db2.gz VIQLXNBTMFFNJR-UHFFFAOYSA-N 2 2 345.487 2.018 40 0 EEABLP Cc1nnc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000189955402 464571059 /nfs/dbraw/zinc/57/10/59/464571059.db2.gz MPTYZCMSSRRXMF-GJZGRUSLSA-N 2 2 327.476 2.370 40 0 EEABLP C[NH+]1CCC(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000072794579 216306318 /nfs/dbraw/zinc/30/63/18/216306318.db2.gz DBMAKWUMVPFLSO-VMPITWQZSA-N 2 2 327.472 2.186 40 0 EEABLP Cc1ccccc1C[N@@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257212592 244158178 /nfs/dbraw/zinc/15/81/78/244158178.db2.gz CECSBOUVXZYIMU-ZRNYENFQSA-N 2 2 326.440 2.335 40 0 EEABLP Cc1ccccc1C[N@H+](C)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257212592 244158185 /nfs/dbraw/zinc/15/81/85/244158185.db2.gz CECSBOUVXZYIMU-ZRNYENFQSA-N 2 2 326.440 2.335 40 0 EEABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@H+](Cc4cnccn4)C3)n2)n1C ZINC000257222981 244191516 /nfs/dbraw/zinc/19/15/16/244191516.db2.gz DVJGYPAWOJGKNZ-HNNXBMFYSA-N 2 2 349.442 2.355 40 0 EEABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@@H+](Cc4cnccn4)C3)n2)n1C ZINC000257222981 244191523 /nfs/dbraw/zinc/19/15/23/244191523.db2.gz DVJGYPAWOJGKNZ-HNNXBMFYSA-N 2 2 349.442 2.355 40 0 EEABLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000078604100 217085842 /nfs/dbraw/zinc/08/58/42/217085842.db2.gz ZZRSJZJRFDDFAA-SFHVURJKSA-N 2 2 341.459 2.148 40 0 EEABLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000078604100 217085845 /nfs/dbraw/zinc/08/58/45/217085845.db2.gz 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0 EEABLP C[NH+](C)CC[C@@H]1CN(C(=O)CCOc2ccccc2)Cc2c[nH+]cn21 ZINC000248084238 464728312 /nfs/dbraw/zinc/72/83/12/464728312.db2.gz DEKVUDBMKAIUEF-MRXNPFEDSA-N 2 2 342.443 2.187 40 0 EEABLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccnc(N(C)C)n2)CC1 ZINC000514838375 467957123 /nfs/dbraw/zinc/95/71/23/467957123.db2.gz RFCJBIWAHHOXJD-UHFFFAOYSA-N 2 2 327.432 2.289 40 0 EEABLP Cc1[nH]c(-c2cccc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)c2)[nH+]c1C ZINC000095351170 218286028 /nfs/dbraw/zinc/28/60/28/218286028.db2.gz RVLCJXGUSZYLSQ-OAHLLOKOSA-N 2 2 341.459 2.268 40 0 EEABLP Cn1cc(C[N@H+]2Cc3c[nH+]cn3C[C@H](COCC3CCC3)C2)cn1 ZINC000096208729 463212408 /nfs/dbraw/zinc/21/24/08/463212408.db2.gz ZZPPNRKDVFGZPO-QGZVFWFLSA-N 2 2 329.448 2.065 40 0 EEABLP Cn1cc(C[N@@H+]2Cc3c[nH+]cn3C[C@H](COCC3CCC3)C2)cn1 ZINC000096208729 463212411 /nfs/dbraw/zinc/21/24/11/463212411.db2.gz ZZPPNRKDVFGZPO-QGZVFWFLSA-N 2 2 329.448 2.065 40 0 EEABLP Cc1ccccc1NC(=O)CC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000096456392 463275731 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ZINC000257271789 244379235 /nfs/dbraw/zinc/37/92/35/244379235.db2.gz MZUFNHMPTOAMLH-MRXNPFEDSA-N 2 2 327.432 2.022 40 0 EEABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2c(C)noc2C)C1 ZINC000096066908 463164565 /nfs/dbraw/zinc/16/45/65/463164565.db2.gz IXBCRSMUDJHNFT-INIZCTEOSA-N 2 2 331.464 2.462 40 0 EEABLP C[NH+](C)Cc1cncc2c1CC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096067394 463164794 /nfs/dbraw/zinc/16/47/94/463164794.db2.gz BLYNKWFEIWLRFT-UHFFFAOYSA-N 2 2 325.412 2.430 40 0 EEABLP C[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096067394 463164800 /nfs/dbraw/zinc/16/48/00/463164800.db2.gz BLYNKWFEIWLRFT-UHFFFAOYSA-N 2 2 325.412 2.430 40 0 EEABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096197107 463203127 /nfs/dbraw/zinc/20/31/27/463203127.db2.gz LPPGYYAQJHLBQG-UHFFFAOYSA-N 2 2 334.427 2.344 40 0 EEABLP c1nc2n(c1CNc1cccc[nH+]1)CC[N@H+](Cc1ccccn1)CC2 ZINC000096197107 463203133 /nfs/dbraw/zinc/20/31/33/463203133.db2.gz LPPGYYAQJHLBQG-UHFFFAOYSA-N 2 2 334.427 2.344 40 0 EEABLP COCC[C@H](C[NH2+]CCc1cc[nH+]cc1C)NC(=O)OC(C)(C)C ZINC000585140805 468989807 /nfs/dbraw/zinc/98/98/07/468989807.db2.gz JPVUVWFVZUFHHO-MRXNPFEDSA-N 2 2 337.464 2.452 40 0 EEABLP COCC[C@@H](C[NH2+]CCc1cc[nH+]cc1C)NC(=O)OC(C)(C)C ZINC000585140800 468989964 /nfs/dbraw/zinc/98/99/64/468989964.db2.gz JPVUVWFVZUFHHO-INIZCTEOSA-N 2 2 337.464 2.452 40 0 EEABLP C[NH+]1CCC(CNC(=O)Cc2ccccc2O)([NH+]2CCCCC2)CC1 ZINC000075158804 462689230 /nfs/dbraw/zinc/68/92/30/462689230.db2.gz WPHVMJWFKBCUNV-UHFFFAOYSA-N 2 2 345.487 2.001 40 0 EEABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738969 463580746 /nfs/dbraw/zinc/58/07/46/463580746.db2.gz ROCBYHMSAWGWIE-HKUYNNGSSA-N 2 2 345.418 2.330 40 0 EEABLP Fc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000107738969 463580750 /nfs/dbraw/zinc/58/07/50/463580750.db2.gz ROCBYHMSAWGWIE-HKUYNNGSSA-N 2 2 345.418 2.330 40 0 EEABLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1c1ccccc1 ZINC000257328300 463779858 /nfs/dbraw/zinc/77/98/58/463779858.db2.gz XFBLTCDBYAILFP-GOSISDBHSA-N 2 2 347.422 2.396 40 0 EEABLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1c1ccccc1 ZINC000257328300 463779868 /nfs/dbraw/zinc/77/98/68/463779868.db2.gz XFBLTCDBYAILFP-GOSISDBHSA-N 2 2 347.422 2.396 40 0 EEABLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229947 244211645 /nfs/dbraw/zinc/21/16/45/244211645.db2.gz GACNECHNCLHQCL-LJQANCHMSA-N 2 2 338.455 2.029 40 0 EEABLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229947 244211650 /nfs/dbraw/zinc/21/16/50/244211650.db2.gz GACNECHNCLHQCL-LJQANCHMSA-N 2 2 338.455 2.029 40 0 EEABLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229947 244211655 /nfs/dbraw/zinc/21/16/55/244211655.db2.gz GACNECHNCLHQCL-LJQANCHMSA-N 2 2 338.455 2.029 40 0 EEABLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1)Cc1cccnc1 ZINC000257229947 244211659 /nfs/dbraw/zinc/21/16/59/244211659.db2.gz GACNECHNCLHQCL-LJQANCHMSA-N 2 2 338.455 2.029 40 0 EEABLP COc1ccc(C[N@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000257248562 244263059 /nfs/dbraw/zinc/26/30/59/244263059.db2.gz JEFICZRWEFXTBD-ZRNYENFQSA-N 2 2 342.439 2.035 40 0 EEABLP COc1ccc(C[N@@H+](C)[C@H]2[C@H]([NH3+])C[C@@H](Oc3ccccc3)[C@@H]2O)cc1 ZINC000257248562 244263061 /nfs/dbraw/zinc/26/30/61/244263061.db2.gz JEFICZRWEFXTBD-ZRNYENFQSA-N 2 2 342.439 2.035 40 0 EEABLP c1cc2[nH+]ccc(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2s1 ZINC000096427304 275066022 /nfs/dbraw/zinc/06/60/22/275066022.db2.gz VRONYHFOEHQXPG-XJKSGUPXSA-N 2 2 333.457 2.446 40 0 EEABLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000097236209 323321394 /nfs/dbraw/zinc/32/13/94/323321394.db2.gz VHTWGWFNOSDVTH-UHFFFAOYSA-N 2 2 332.473 2.412 40 0 EEABLP C[NH+](C)CCOC[C@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096044172 463149287 /nfs/dbraw/zinc/14/92/87/463149287.db2.gz ASVDELYSUWUQQS-MRXNPFEDSA-N 2 2 334.489 2.155 40 0 EEABLP C[NH+](C)CCOC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096044172 463149294 /nfs/dbraw/zinc/14/92/94/463149294.db2.gz ASVDELYSUWUQQS-MRXNPFEDSA-N 2 2 334.489 2.155 40 0 EEABLP c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)nc1 ZINC000096048936 463153516 /nfs/dbraw/zinc/15/35/16/463153516.db2.gz BJUVAUPWSVHAOH-UHFFFAOYSA-N 2 2 338.455 2.344 40 0 EEABLP c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)nc1 ZINC000096048936 463153519 /nfs/dbraw/zinc/15/35/19/463153519.db2.gz BJUVAUPWSVHAOH-UHFFFAOYSA-N 2 2 338.455 2.344 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)o1 ZINC000096062322 463161641 /nfs/dbraw/zinc/16/16/41/463161641.db2.gz PLGWTUIXMFUEFM-LJQANCHMSA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)o1 ZINC000096062322 463161645 /nfs/dbraw/zinc/16/16/45/463161645.db2.gz PLGWTUIXMFUEFM-LJQANCHMSA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)o1 ZINC000096062322 463161648 /nfs/dbraw/zinc/16/16/48/463161648.db2.gz PLGWTUIXMFUEFM-LJQANCHMSA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)o1 ZINC000096062322 463161652 /nfs/dbraw/zinc/16/16/52/463161652.db2.gz PLGWTUIXMFUEFM-LJQANCHMSA-N 2 2 334.460 2.291 40 0 EEABLP Nc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]c2ccccc12 ZINC000096486688 463285087 /nfs/dbraw/zinc/28/50/87/463285087.db2.gz AHOZQIOAKJGEKR-HNNXBMFYSA-N 2 2 341.459 2.293 40 0 EEABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107738936 463581536 /nfs/dbraw/zinc/58/15/36/463581536.db2.gz JSADXUMHFPAVIW-DLBZAZTESA-N 2 2 333.457 2.252 40 0 EEABLP c1cn(C[C@H]2CO[C@@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107738936 463581539 /nfs/dbraw/zinc/58/15/39/463581539.db2.gz JSADXUMHFPAVIW-DLBZAZTESA-N 2 2 333.457 2.252 40 0 EEABLP COc1ccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[N@@H+]2C)cc1 ZINC000257318713 463777012 /nfs/dbraw/zinc/77/70/12/463777012.db2.gz VPBIJKMWKWMYHE-GOSISDBHSA-N 2 2 342.443 2.187 40 0 EEABLP COc1ccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[N@H+]2C)cc1 ZINC000257318713 463777014 /nfs/dbraw/zinc/77/70/14/463777014.db2.gz VPBIJKMWKWMYHE-GOSISDBHSA-N 2 2 342.443 2.187 40 0 EEABLP Cc1cc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)no1 ZINC000257269822 244373935 /nfs/dbraw/zinc/37/39/35/244373935.db2.gz MRNPATFWEMZIAU-UHFFFAOYSA-N 2 2 329.448 2.289 40 0 EEABLP CN(CC[NH+]1CCCCC1)C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000019717599 212057107 /nfs/dbraw/zinc/05/71/07/212057107.db2.gz QYTVHSFUIQDPKQ-UHFFFAOYSA-N 2 2 326.444 2.494 40 0 EEABLP Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCC[NH+](C)C)cc12 ZINC000019565304 212043518 /nfs/dbraw/zinc/04/35/18/212043518.db2.gz CBTVILCDJUERLH-UHFFFAOYSA-N 2 2 339.443 2.064 40 0 EEABLP CCn1c[nH+]cc1CN1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012147178 211306777 /nfs/dbraw/zinc/30/67/77/211306777.db2.gz UOBCCSODYBWWIQ-INIZCTEOSA-N 2 2 326.444 2.339 40 0 EEABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1cccs1)C2 ZINC000096060853 463161185 /nfs/dbraw/zinc/16/11/85/463161185.db2.gz CJYKKCVKOMFZQN-AWEZNQCLSA-N 2 2 349.504 2.037 40 0 EEABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1cccs1)C2 ZINC000096060853 463161191 /nfs/dbraw/zinc/16/11/91/463161191.db2.gz CJYKKCVKOMFZQN-AWEZNQCLSA-N 2 2 349.504 2.037 40 0 EEABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062467 463163234 /nfs/dbraw/zinc/16/32/34/463163234.db2.gz RTIOIZWVDLRWJD-IBGZPJMESA-N 2 2 342.443 2.415 40 0 EEABLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062467 463163239 /nfs/dbraw/zinc/16/32/39/463163239.db2.gz RTIOIZWVDLRWJD-IBGZPJMESA-N 2 2 342.443 2.415 40 0 EEABLP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096073160 463166891 /nfs/dbraw/zinc/16/68/91/463166891.db2.gz JHBNSTQIEUPLGG-SFHVURJKSA-N 2 2 342.443 2.155 40 0 EEABLP Cn1cc[nH+]c1CN1CCOC[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096202171 463206754 /nfs/dbraw/zinc/20/67/54/463206754.db2.gz FWUROYMYZWNWNY-SFHVURJKSA-N 2 2 346.500 2.206 40 0 EEABLP Cn1cc[nH+]c1CN1CCOC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096202171 463206758 /nfs/dbraw/zinc/20/67/58/463206758.db2.gz FWUROYMYZWNWNY-SFHVURJKSA-N 2 2 346.500 2.206 40 0 EEABLP C[N@@H+](Cc1cc(=O)c(O)co1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000096441738 463267439 /nfs/dbraw/zinc/26/74/39/463267439.db2.gz PLKBQBDPHNGZHU-INIZCTEOSA-N 2 2 328.412 2.299 40 0 EEABLP C[N@H+](Cc1cc(=O)c(O)co1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000096441738 463267444 /nfs/dbraw/zinc/26/74/44/463267444.db2.gz PLKBQBDPHNGZHU-INIZCTEOSA-N 2 2 328.412 2.299 40 0 EEABLP C[NH+](Cc1cc(=O)c(O)co1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096441738 463267447 /nfs/dbraw/zinc/26/74/47/463267447.db2.gz PLKBQBDPHNGZHU-INIZCTEOSA-N 2 2 328.412 2.299 40 0 EEABLP C[NH+](Cc1cc(=O)c(O)co1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096441738 463267450 /nfs/dbraw/zinc/26/74/50/463267450.db2.gz PLKBQBDPHNGZHU-INIZCTEOSA-N 2 2 328.412 2.299 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000107738652 463581403 /nfs/dbraw/zinc/58/14/03/463581403.db2.gz JPEAGYOGYHJYDX-DOTOQJQBSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000107738652 463581407 /nfs/dbraw/zinc/58/14/07/463581407.db2.gz JPEAGYOGYHJYDX-DOTOQJQBSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@H+](Cc1nccs1)C2 ZINC000107738652 463581412 /nfs/dbraw/zinc/58/14/12/463581412.db2.gz JPEAGYOGYHJYDX-DOTOQJQBSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[NH+](C)C[C@H]1CO[C@@]2(C1)COCC[N@@H+](Cc1nccs1)C2 ZINC000107738652 463581416 /nfs/dbraw/zinc/58/14/16/463581416.db2.gz JPEAGYOGYHJYDX-DOTOQJQBSA-N 2 2 339.505 2.091 40 0 EEABLP COc1ccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[N@@H+]2C)cc1 ZINC000257318714 463776262 /nfs/dbraw/zinc/77/62/62/463776262.db2.gz VPBIJKMWKWMYHE-SFHVURJKSA-N 2 2 342.443 2.187 40 0 EEABLP COc1ccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[N@H+]2C)cc1 ZINC000257318714 463776272 /nfs/dbraw/zinc/77/62/72/463776272.db2.gz VPBIJKMWKWMYHE-SFHVURJKSA-N 2 2 342.443 2.187 40 0 EEABLP CC[NH+](CC)C[C@@H]1CN(C(=O)Cc2ccsc2)Cc2c[nH+]cn21 ZINC000248248829 464740290 /nfs/dbraw/zinc/74/02/90/464740290.db2.gz KWBUOYBVGXIKBT-MRXNPFEDSA-N 2 2 332.473 2.412 40 0 EEABLP COC(=O)c1ccc([C@@H]([NH3+])[C@H]([NH3+])c2ccc(OC(C)=O)cc2)cc1 ZINC000022861598 212329449 /nfs/dbraw/zinc/32/94/49/212329449.db2.gz SXLFVIFJZLJYAI-IAGOWNOFSA-N 2 2 328.368 2.098 40 0 EEABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@H]2C1 ZINC000257229260 244206123 /nfs/dbraw/zinc/20/61/23/244206123.db2.gz FXJQAMOJMWAUNG-JKSUJKDBSA-N 2 2 326.444 2.335 40 0 EEABLP CNc1cc(CC[C@H]2C[N@H+](Cc3cnc(C)nc3)CCO2)cc[nH+]1 ZINC000257246660 244257728 /nfs/dbraw/zinc/25/77/28/244257728.db2.gz IVDOSJNKZVEICV-KRWDZBQOSA-N 2 2 327.432 2.055 40 0 EEABLP CNc1cc(CC[C@H]2C[N@@H+](Cc3cnc(C)nc3)CCO2)cc[nH+]1 ZINC000257246660 244257732 /nfs/dbraw/zinc/25/77/32/244257732.db2.gz IVDOSJNKZVEICV-KRWDZBQOSA-N 2 2 327.432 2.055 40 0 EEABLP c1cnn(-c2ccccc2C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017002 218186052 /nfs/dbraw/zinc/18/60/52/218186052.db2.gz IXRCKGJXOKURJU-GOSISDBHSA-N 2 2 340.471 2.417 40 0 EEABLP c1cnn(-c2ccccc2C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017002 218186054 /nfs/dbraw/zinc/18/60/54/218186054.db2.gz IXRCKGJXOKURJU-GOSISDBHSA-N 2 2 340.471 2.417 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096188343 279384360 /nfs/dbraw/zinc/38/43/60/279384360.db2.gz KOCVPFAQKSNGMH-HNNXBMFYSA-N 2 2 333.480 2.307 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096188343 279384362 /nfs/dbraw/zinc/38/43/62/279384362.db2.gz KOCVPFAQKSNGMH-HNNXBMFYSA-N 2 2 333.480 2.307 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000096052065 463154886 /nfs/dbraw/zinc/15/48/86/463154886.db2.gz OACJGUNKKLGUIH-AEFFLSMTSA-N 2 2 331.416 2.092 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000096052065 463154889 /nfs/dbraw/zinc/15/48/89/463154889.db2.gz OACJGUNKKLGUIH-AEFFLSMTSA-N 2 2 331.416 2.092 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096188342 463200419 /nfs/dbraw/zinc/20/04/19/463200419.db2.gz KOCVPFAQKSNGMH-OAHLLOKOSA-N 2 2 333.480 2.307 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)NC2CCCC2)C1 ZINC000096188342 463200423 /nfs/dbraw/zinc/20/04/23/463200423.db2.gz KOCVPFAQKSNGMH-OAHLLOKOSA-N 2 2 333.480 2.307 40 0 EEABLP CCc1cnc(N2CCc3[nH+]cc(CNc4cccc[nH+]4)n3CC2)nc1 ZINC000096197113 463203390 /nfs/dbraw/zinc/20/33/90/463203390.db2.gz PKPONUXRFBGLLJ-UHFFFAOYSA-N 2 2 349.442 2.305 40 0 EEABLP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CCC34CCCC4)CC2)nc1 ZINC000189059526 464425325 /nfs/dbraw/zinc/42/53/25/464425325.db2.gz KPSJJINCSXNEJJ-KRWDZBQOSA-N 2 2 329.492 2.301 40 0 EEABLP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCc2ccccc21 ZINC000090795906 462810006 /nfs/dbraw/zinc/81/00/06/462810006.db2.gz KWLNQEOTNOFQOL-OAQYLSRUSA-N 2 2 337.467 2.470 40 0 EEABLP O=C(Cc1cccc(F)c1)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCC2)C1 ZINC000247882624 464712188 /nfs/dbraw/zinc/71/21/88/464712188.db2.gz WESBZULWEBIVTE-GOSISDBHSA-N 2 2 342.418 2.244 40 0 EEABLP CC[NH+]1CCC([NH+]2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)CC1 ZINC000257251611 535462456 /nfs/dbraw/zinc/46/24/56/535462456.db2.gz JRLJRJLQYDFNMA-UHFFFAOYSA-N 2 2 329.448 2.099 40 0 EEABLP COc1cc(NC2CC[NH+](CCn3cc[nH+]c3)CC2)cc(OC)c1 ZINC000132042242 533025921 /nfs/dbraw/zinc/02/59/21/533025921.db2.gz NZYZMMLZOWXPKH-UHFFFAOYSA-N 2 2 330.432 2.477 40 0 EEABLP Cc1nc2c(c(N3CC[NH+](C)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286222 463016139 /nfs/dbraw/zinc/01/61/39/463016139.db2.gz DBMYUNUBCZHOBO-UHFFFAOYSA-N 2 2 337.471 2.095 40 0 EEABLP Cc1nc2c(c(N3CC[NH+](C)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286222 463016148 /nfs/dbraw/zinc/01/61/48/463016148.db2.gz DBMYUNUBCZHOBO-UHFFFAOYSA-N 2 2 337.471 2.095 40 0 EEABLP Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)cn1 ZINC000096208100 463210248 /nfs/dbraw/zinc/21/02/48/463210248.db2.gz FJOSFNPRDXMBIM-MJGOQNOKSA-N 2 2 341.459 2.298 40 0 EEABLP Cn1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)cn1 ZINC000096208100 463210254 /nfs/dbraw/zinc/21/02/54/463210254.db2.gz FJOSFNPRDXMBIM-MJGOQNOKSA-N 2 2 341.459 2.298 40 0 EEABLP CC(=O)N1CCC[C@](O)(C[NH+]2CCC(c3cc[nH+]c(C)c3)CC2)CC1 ZINC000072367464 216174391 /nfs/dbraw/zinc/17/43/91/216174391.db2.gz VQKCFTKZQRIZRV-HXUWFJFHSA-N 2 2 345.487 2.333 40 0 EEABLP c1ccc2c(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)ccnc2c1 ZINC000019711259 212057135 /nfs/dbraw/zinc/05/71/35/212057135.db2.gz BGLOQBYAIKIUJS-UHFFFAOYSA-N 2 2 348.454 2.309 40 0 EEABLP Cc1[nH]c(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c[nH+]1 ZINC000108535442 463612225 /nfs/dbraw/zinc/61/22/25/463612225.db2.gz TXZMXUZIRVXVRD-OAHLLOKOSA-N 2 2 342.447 2.134 40 0 EEABLP Cc1cc2cc(C(=O)NCC3([NH+](C)C)CC[NH+](C)CC3)ccc2o1 ZINC000043277985 463632195 /nfs/dbraw/zinc/63/21/95/463632195.db2.gz RYYRNKSJKJXGGI-UHFFFAOYSA-N 2 2 329.444 2.497 40 0 EEABLP CC[NH+](CC)CC[C@H]1C[N@H+](Cc2cc(C)nn2C)Cc2ccnn21 ZINC000585111873 468975249 /nfs/dbraw/zinc/97/52/49/468975249.db2.gz DPYJYSQYFSKCQH-KRWDZBQOSA-N 2 2 330.480 2.214 40 0 EEABLP CC[NH+](CC)CC[C@H]1C[N@@H+](Cc2cc(C)nn2C)Cc2ccnn21 ZINC000585111873 468975251 /nfs/dbraw/zinc/97/52/51/468975251.db2.gz DPYJYSQYFSKCQH-KRWDZBQOSA-N 2 2 330.480 2.214 40 0 EEABLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257269437 244369862 /nfs/dbraw/zinc/36/98/62/244369862.db2.gz MPXSRWRDSSGQOL-GOSISDBHSA-N 2 2 339.443 2.307 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1cccs1 ZINC000022076401 463044984 /nfs/dbraw/zinc/04/49/84/463044984.db2.gz LXAMDVVWUPGCNM-UHFFFAOYSA-N 2 2 336.457 2.007 40 0 EEABLP Cc1cccc(C[N@@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)n1 ZINC000096202045 463206882 /nfs/dbraw/zinc/20/68/82/463206882.db2.gz TXIFBDVGPVMWEN-HXUWFJFHSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[N@H+]2CCOC[C@]3(CC[NH+](C4CCOCC4)C3)C2)n1 ZINC000096202045 463206887 /nfs/dbraw/zinc/20/68/87/463206887.db2.gz TXIFBDVGPVMWEN-HXUWFJFHSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[NH+]2CCOC[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)n1 ZINC000096202045 463206891 /nfs/dbraw/zinc/20/68/91/463206891.db2.gz TXIFBDVGPVMWEN-HXUWFJFHSA-N 2 2 345.487 2.093 40 0 EEABLP Cc1cccc(C[NH+]2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)n1 ZINC000096202045 463206894 /nfs/dbraw/zinc/20/68/94/463206894.db2.gz TXIFBDVGPVMWEN-HXUWFJFHSA-N 2 2 345.487 2.093 40 0 EEABLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC000096503170 463293233 /nfs/dbraw/zinc/29/32/33/463293233.db2.gz MVHKOOXHWHXKAK-AWEZNQCLSA-N 2 2 347.488 2.113 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)N2CCOC[C@H]2C)n1-c1ccccc1 ZINC000247976935 464718814 /nfs/dbraw/zinc/71/88/14/464718814.db2.gz VNJSLQRABNJJMJ-HZPDHXFCSA-N 2 2 328.460 2.380 40 0 EEABLP COc1cc(C[N@H+]2Cc3ccnn3[C@@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248102366 464729227 /nfs/dbraw/zinc/72/92/27/464729227.db2.gz HVOYGVPLRAPIPC-KRWDZBQOSA-N 2 2 344.459 2.409 40 0 EEABLP COc1cc(C[N@@H+]2Cc3ccnn3[C@@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248102366 464729233 /nfs/dbraw/zinc/72/92/33/464729233.db2.gz HVOYGVPLRAPIPC-KRWDZBQOSA-N 2 2 344.459 2.409 40 0 EEABLP Cc1cc(CCC(=O)NCc2[nH+]ccn2C)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360568 216167441 /nfs/dbraw/zinc/16/74/41/216167441.db2.gz FHNKHKSJEQHABH-KRWDZBQOSA-N 2 2 341.459 2.139 40 0 EEABLP Cc1cc(CCC(=O)NCc2[nH+]ccn2C)cc([C@@H]2CCC[N@H+]2C)n1 ZINC000072360568 216167443 /nfs/dbraw/zinc/16/74/43/216167443.db2.gz FHNKHKSJEQHABH-KRWDZBQOSA-N 2 2 341.459 2.139 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257199934 244114958 /nfs/dbraw/zinc/11/49/58/244114958.db2.gz ABIMAFZMHKBLGT-MRXNPFEDSA-N 2 2 341.459 2.358 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257247306 244259628 /nfs/dbraw/zinc/25/96/28/244259628.db2.gz IYJKEHPHLBPWQJ-HNNXBMFYSA-N 2 2 327.432 2.016 40 0 EEABLP Cc1c(C[N@@H+]2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cnn1C ZINC000257275501 244392496 /nfs/dbraw/zinc/39/24/96/244392496.db2.gz NPRCEYPGKSPHIE-GOSISDBHSA-N 2 2 329.448 2.071 40 0 EEABLP Cc1c(C[N@H+]2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cnn1C ZINC000257275501 244392499 /nfs/dbraw/zinc/39/24/99/244392499.db2.gz NPRCEYPGKSPHIE-GOSISDBHSA-N 2 2 329.448 2.071 40 0 EEABLP COc1cc(C)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000019711170 212056647 /nfs/dbraw/zinc/05/66/47/212056647.db2.gz GSRVITMIRJOCFW-UHFFFAOYSA-N 2 2 341.459 2.078 40 0 EEABLP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCc2ccccc21 ZINC000090795791 462809816 /nfs/dbraw/zinc/80/98/16/462809816.db2.gz LLGXABUTIFTFKV-NRFANRHFSA-N 2 2 337.467 2.470 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096188320 463200548 /nfs/dbraw/zinc/20/05/48/463200548.db2.gz PKJFRAWLGCETEQ-GOSISDBHSA-N 2 2 340.471 2.424 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096188320 463200550 /nfs/dbraw/zinc/20/05/50/463200550.db2.gz PKJFRAWLGCETEQ-GOSISDBHSA-N 2 2 340.471 2.424 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257328449 463779998 /nfs/dbraw/zinc/77/99/98/463779998.db2.gz XFRCWQWJZZJAGF-SFHVURJKSA-N 2 2 326.444 2.376 40 0 EEABLP CN(C)c1cc(CC[C@H]2C[N@@H+](Cc3ccccn3)CCO2)cc[nH+]1 ZINC000257328449 463780004 /nfs/dbraw/zinc/78/00/04/463780004.db2.gz XFRCWQWJZZJAGF-SFHVURJKSA-N 2 2 326.444 2.376 40 0 EEABLP FC(F)CN1CC[NH+](CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000092586612 218152363 /nfs/dbraw/zinc/15/23/63/218152363.db2.gz DFVWWCCBTTVDKR-UHFFFAOYSA-N 2 2 345.478 2.152 40 0 EEABLP CC[NH+](CC)C[C@H]1CN(C(=O)Cc2ccsc2)Cc2c[nH+]cn21 ZINC000248248827 276109706 /nfs/dbraw/zinc/10/97/06/276109706.db2.gz KWBUOYBVGXIKBT-INIZCTEOSA-N 2 2 332.473 2.412 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561616 464077597 /nfs/dbraw/zinc/07/75/97/464077597.db2.gz DGRXODPOKJJDIO-HZPDHXFCSA-N 2 2 347.484 2.267 40 0 EEABLP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cn1 ZINC000096046993 463149704 /nfs/dbraw/zinc/14/97/04/463149704.db2.gz IXYOJLFKNKBMCE-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)cn1 ZINC000096046993 463149705 /nfs/dbraw/zinc/14/97/05/463149705.db2.gz IXYOJLFKNKBMCE-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cn1 ZINC000096046993 463149707 /nfs/dbraw/zinc/14/97/07/463149707.db2.gz IXYOJLFKNKBMCE-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cn1 ZINC000096046993 463149709 /nfs/dbraw/zinc/14/97/09/463149709.db2.gz IXYOJLFKNKBMCE-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000175777953 464622847 /nfs/dbraw/zinc/62/28/47/464622847.db2.gz ZAWLXCPLRJIFGI-MRXNPFEDSA-N 2 2 342.447 2.027 40 0 EEABLP CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCSCC3)CC2)cc1 ZINC000096461010 528434417 /nfs/dbraw/zinc/43/44/17/528434417.db2.gz AQZCKPMOCYIXMI-UHFFFAOYSA-N 2 2 349.544 2.252 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072379200 216180471 /nfs/dbraw/zinc/18/04/71/216180471.db2.gz DSLCMKBVYMLQPW-OAHLLOKOSA-N 2 2 341.459 2.097 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072379200 216180473 /nfs/dbraw/zinc/18/04/73/216180473.db2.gz DSLCMKBVYMLQPW-OAHLLOKOSA-N 2 2 341.459 2.097 40 0 EEABLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257210824 244149095 /nfs/dbraw/zinc/14/90/95/244149095.db2.gz BWIKYVPGSATDSU-MRXNPFEDSA-N 2 2 327.432 2.059 40 0 EEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257225697 244197942 /nfs/dbraw/zinc/19/79/42/244197942.db2.gz FHJGUQBAAFOGGF-ZRNYENFQSA-N 2 2 344.430 2.208 40 0 EEABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257225697 244197949 /nfs/dbraw/zinc/19/79/49/244197949.db2.gz FHJGUQBAAFOGGF-ZRNYENFQSA-N 2 2 344.430 2.208 40 0 EEABLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000095429624 218372981 /nfs/dbraw/zinc/37/29/81/218372981.db2.gz HHTKKTCHXFIKJL-DZKIICNBSA-N 2 2 346.475 2.426 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096202067 463207444 /nfs/dbraw/zinc/20/74/44/463207444.db2.gz OYURLGJTLZEYGI-GOSISDBHSA-N 2 2 346.500 2.206 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096202067 463207447 /nfs/dbraw/zinc/20/74/47/463207447.db2.gz OYURLGJTLZEYGI-GOSISDBHSA-N 2 2 346.500 2.206 40 0 EEABLP C[N@H+](Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257267462 244364062 /nfs/dbraw/zinc/36/40/62/244364062.db2.gz MHKUVXUKXXRPLD-YRXWBPOGSA-N 2 2 348.393 2.305 40 0 EEABLP C[N@@H+](Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000257267462 244364068 /nfs/dbraw/zinc/36/40/68/244364068.db2.gz MHKUVXUKXXRPLD-YRXWBPOGSA-N 2 2 348.393 2.305 40 0 EEABLP Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257263032 244353258 /nfs/dbraw/zinc/35/32/58/244353258.db2.gz LOBWXLLAJAYHJG-MRXNPFEDSA-N 2 2 326.448 2.406 40 0 EEABLP Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257263032 244353261 /nfs/dbraw/zinc/35/32/61/244353261.db2.gz LOBWXLLAJAYHJG-MRXNPFEDSA-N 2 2 326.448 2.406 40 0 EEABLP Cc1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1-c1ccccc1 ZINC000081292743 217379357 /nfs/dbraw/zinc/37/93/57/217379357.db2.gz NOZFIOIRPIYQJV-MJGOQNOKSA-N 2 2 326.444 2.134 40 0 EEABLP Cc1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1-c1ccccc1 ZINC000081292743 217379359 /nfs/dbraw/zinc/37/93/59/217379359.db2.gz NOZFIOIRPIYQJV-MJGOQNOKSA-N 2 2 326.444 2.134 40 0 EEABLP Cc1nc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)cc[nH+]1 ZINC000096429269 463259149 /nfs/dbraw/zinc/25/91/49/463259149.db2.gz HZELFKHOPAJIKW-UHFFFAOYSA-N 2 2 347.507 2.236 40 0 EEABLP O=C(Cc1cccc(Cl)c1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000096493078 463288208 /nfs/dbraw/zinc/28/82/08/463288208.db2.gz NYVRPJRGLPVKKU-UHFFFAOYSA-N 2 2 346.862 2.314 40 0 EEABLP CCc1[nH]c(C[N@@H+]2CC[C@](O)(COc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000585279152 469004251 /nfs/dbraw/zinc/00/42/51/469004251.db2.gz WDMLUEVJXDENBE-GOSISDBHSA-N 2 2 333.407 2.435 40 0 EEABLP CCc1[nH]c(C[N@H+]2CC[C@](O)(COc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000585279152 469004260 /nfs/dbraw/zinc/00/42/60/469004260.db2.gz WDMLUEVJXDENBE-GOSISDBHSA-N 2 2 333.407 2.435 40 0 EEABLP O[C@H]1[C@H](Oc2ccccc2F)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000585290146 469011732 /nfs/dbraw/zinc/01/17/32/469011732.db2.gz UCNPXCGJEAYUMA-CGTJXYLNSA-N 2 2 333.407 2.363 40 0 EEABLP C[NH+]1CCC([NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)CC1 ZINC000072321918 216150493 /nfs/dbraw/zinc/15/04/93/216150493.db2.gz GWZGDSYPPLUDLI-UHFFFAOYSA-N 2 2 345.418 2.476 40 0 biogenic,in-vitro EEABLP COc1cc(C)ccc1C[N@@H+]1CCn2c(nnc2[C@@H]2CCCC[NH2+]2)C1 ZINC000072374058 216177335 /nfs/dbraw/zinc/17/73/35/216177335.db2.gz ADDLMWYAFYJAOO-INIZCTEOSA-N 2 2 341.459 2.426 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCn2c(nnc2[C@@H]2CCCC[NH2+]2)C1 ZINC000072374058 216177337 /nfs/dbraw/zinc/17/73/37/216177337.db2.gz ADDLMWYAFYJAOO-INIZCTEOSA-N 2 2 341.459 2.426 40 0 EEABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072378803 216181750 /nfs/dbraw/zinc/18/17/50/216181750.db2.gz RSGHRXGJFVLMFN-QGZVFWFLSA-N 2 2 339.443 2.335 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(C)cc1 ZINC000022074890 212277075 /nfs/dbraw/zinc/27/70/75/212277075.db2.gz AHMNIHQLXSOWQE-UHFFFAOYSA-N 2 2 344.455 2.254 40 0 EEABLP Cn1c[nH+]cc1C[NH+]1CCC2(CO[C@@H](Cc3ccccn3)C2)CC1 ZINC000257235343 244225684 /nfs/dbraw/zinc/22/56/84/244225684.db2.gz GXKITURAOWFSEA-SFHVURJKSA-N 2 2 326.444 2.429 40 0 EEABLP [NH3+]C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000050247476 462993799 /nfs/dbraw/zinc/99/37/99/462993799.db2.gz LADCCPZIYKWLFM-SNVBAGLBSA-N 2 2 327.222 2.001 40 0 EEABLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000050247476 462993803 /nfs/dbraw/zinc/99/38/03/462993803.db2.gz LADCCPZIYKWLFM-SNVBAGLBSA-N 2 2 327.222 2.001 40 0 EEABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)nc1 ZINC000096161572 463192171 /nfs/dbraw/zinc/19/21/71/463192171.db2.gz BEQPDPHQPQIGEL-CALCHBBNSA-N 2 2 337.423 2.374 40 0 EEABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)nc1 ZINC000096161572 463192174 /nfs/dbraw/zinc/19/21/74/463192174.db2.gz BEQPDPHQPQIGEL-CALCHBBNSA-N 2 2 337.423 2.374 40 0 EEABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)nc1 ZINC000096161572 463192178 /nfs/dbraw/zinc/19/21/78/463192178.db2.gz BEQPDPHQPQIGEL-CALCHBBNSA-N 2 2 337.423 2.374 40 0 EEABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc5c(c4)OCO5)C[C@H]3C2)nc1 ZINC000096161572 463192182 /nfs/dbraw/zinc/19/21/82/463192182.db2.gz BEQPDPHQPQIGEL-CALCHBBNSA-N 2 2 337.423 2.374 40 0 EEABLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(F)ccc2F)CC1 ZINC000096452165 463273331 /nfs/dbraw/zinc/27/33/31/463273331.db2.gz OGZBXXQFNJIWFC-UHFFFAOYSA-N 2 2 326.391 2.112 40 0 EEABLP CC[N@H+](CCCc1ccccc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257286844 463762829 /nfs/dbraw/zinc/76/28/29/463762829.db2.gz PNHRRYRRAYLBQS-IBGZPJMESA-N 2 2 341.459 2.289 40 0 EEABLP CC[N@@H+](CCCc1ccccc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257286844 463762836 /nfs/dbraw/zinc/76/28/36/463762836.db2.gz PNHRRYRRAYLBQS-IBGZPJMESA-N 2 2 341.459 2.289 40 0 EEABLP C[NH+]1CCN([C@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096048846 277112117 /nfs/dbraw/zinc/11/21/17/277112117.db2.gz DIUUISAIHRPCCU-LJQANCHMSA-N 2 2 347.478 2.197 40 0 EEABLP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000096074717 463167931 /nfs/dbraw/zinc/16/79/31/463167931.db2.gz XGNZLZSVPNXXRG-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000096074717 463167936 /nfs/dbraw/zinc/16/79/36/463167936.db2.gz XGNZLZSVPNXXRG-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccnc2)CCO3)n1 ZINC000096158795 463188718 /nfs/dbraw/zinc/18/87/18/463188718.db2.gz PWOWPIGRYPCSLP-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccnc2)CCO3)n1 ZINC000096158795 463188723 /nfs/dbraw/zinc/18/87/23/463188723.db2.gz PWOWPIGRYPCSLP-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP Cn1ccnc1C[NH+]1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221280 463217681 /nfs/dbraw/zinc/21/76/81/463217681.db2.gz QCGFHNJHSNQOQQ-HNNXBMFYSA-N 2 2 327.432 2.051 40 0 EEABLP CC(C)Oc1ccc([C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[N@@H+]2C)cc1 ZINC000257261856 463758437 /nfs/dbraw/zinc/75/84/37/463758437.db2.gz LJAOYYMRCQURBI-SFHVURJKSA-N 2 2 342.443 2.186 40 0 EEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4cncs4)C3)n2)c[nH+]1 ZINC000257296354 463767099 /nfs/dbraw/zinc/76/70/99/463767099.db2.gz RCKWEQVDRXQICU-ZDUSSCGKSA-N 2 2 326.429 2.498 40 0 EEABLP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4cncs4)C3)n2)c[nH+]1 ZINC000257296354 463767102 /nfs/dbraw/zinc/76/71/02/463767102.db2.gz RCKWEQVDRXQICU-ZDUSSCGKSA-N 2 2 326.429 2.498 40 0 EEABLP CC[NH+](CC)Cc1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000225511291 464168254 /nfs/dbraw/zinc/16/82/54/464168254.db2.gz ZXDLNDWVZXIYKW-UHFFFAOYSA-N 2 2 339.447 2.399 40 0 EEABLP CCc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nc(C)[nH+]1 ZINC000253426886 465011446 /nfs/dbraw/zinc/01/14/46/465011446.db2.gz ZIDRNWUMFIQBHX-UHFFFAOYSA-N 2 2 340.475 2.131 40 0 EEABLP Cc1ncc(C[NH+]2CCC(Cc3cnc(C[NH+](C)C)cn3)CC2)cn1 ZINC000257216723 244171798 /nfs/dbraw/zinc/17/17/98/244171798.db2.gz CVVJXSSBZWAGEK-UHFFFAOYSA-N 2 2 340.475 2.091 40 0 EEABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257263266 244353578 /nfs/dbraw/zinc/35/35/78/244353578.db2.gz LPBLHNVRYMPEEL-INIZCTEOSA-N 2 2 340.475 2.498 40 0 EEABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)[nH+]1 ZINC000257263266 244353583 /nfs/dbraw/zinc/35/35/83/244353583.db2.gz LPBLHNVRYMPEEL-INIZCTEOSA-N 2 2 340.475 2.498 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000107739549 463581026 /nfs/dbraw/zinc/58/10/26/463581026.db2.gz LDYPMYJAQNSMST-RDJZCZTQSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCC[NH+](Cc3nccs3)C2)O1 ZINC000107739549 463581032 /nfs/dbraw/zinc/58/10/32/463581032.db2.gz LDYPMYJAQNSMST-RDJZCZTQSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3nccs3)C2)O1 ZINC000107739549 463581035 /nfs/dbraw/zinc/58/10/35/463581035.db2.gz LDYPMYJAQNSMST-RDJZCZTQSA-N 2 2 339.505 2.233 40 0 EEABLP CC(C)[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3nccs3)C2)O1 ZINC000107739549 463581037 /nfs/dbraw/zinc/58/10/37/463581037.db2.gz LDYPMYJAQNSMST-RDJZCZTQSA-N 2 2 339.505 2.233 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CC(=O)N(C)C)C2)n1 ZINC000072379201 216182011 /nfs/dbraw/zinc/18/20/11/216182011.db2.gz DSLCMKBVYMLQPW-HNNXBMFYSA-N 2 2 341.459 2.097 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)n1 ZINC000072379201 216182013 /nfs/dbraw/zinc/18/20/13/216182013.db2.gz DSLCMKBVYMLQPW-HNNXBMFYSA-N 2 2 341.459 2.097 40 0 EEABLP Cc1cnc(C[N@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)cn1 ZINC000257209654 244146550 /nfs/dbraw/zinc/14/65/50/244146550.db2.gz BRINBMMWFYLCFG-UHFFFAOYSA-N 2 2 338.459 2.374 40 0 EEABLP Cc1cnc(C[N@@H+]2CCC3(CC(N(C)c4cc(C)[nH+]cn4)C3)C2)cn1 ZINC000257209654 244146555 /nfs/dbraw/zinc/14/65/55/244146555.db2.gz BRINBMMWFYLCFG-UHFFFAOYSA-N 2 2 338.459 2.374 40 0 EEABLP CC[NH+](CC)CCNC(=O)c1nc([C@@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306132063 257920955 /nfs/dbraw/zinc/92/09/55/257920955.db2.gz KWYSCSZZTCPNFW-INIZCTEOSA-N 2 2 343.475 2.173 40 0 EEABLP CC[NH+](CC)CCNC(=O)c1nc([C@@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306132063 257920957 /nfs/dbraw/zinc/92/09/57/257920957.db2.gz KWYSCSZZTCPNFW-INIZCTEOSA-N 2 2 343.475 2.173 40 0 EEABLP c1csc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052055 463155010 /nfs/dbraw/zinc/15/50/10/463155010.db2.gz ZCMOBQWQDCUIIU-WBVHZDCISA-N 2 2 333.457 2.252 40 0 EEABLP c1csc(C[N@@H+]2CCOC[C@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052055 463155014 /nfs/dbraw/zinc/15/50/14/463155014.db2.gz ZCMOBQWQDCUIIU-WBVHZDCISA-N 2 2 333.457 2.252 40 0 EEABLP Cc1noc(C)c1CN1Cc2[nH+]ccn2C[C@H](C[N@@H+](C)C(C)C)C1 ZINC000096066924 463163942 /nfs/dbraw/zinc/16/39/42/463163942.db2.gz UVDSQPOCTLCEKZ-MRXNPFEDSA-N 2 2 331.464 2.460 40 0 EEABLP Cc1noc(C)c1CN1Cc2[nH+]ccn2C[C@H](C[N@H+](C)C(C)C)C1 ZINC000096066924 463163946 /nfs/dbraw/zinc/16/39/46/463163946.db2.gz UVDSQPOCTLCEKZ-MRXNPFEDSA-N 2 2 331.464 2.460 40 0 EEABLP C[NH+](C)CCOC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccc(F)c2)C1 ZINC000096187824 463199457 /nfs/dbraw/zinc/19/94/57/463199457.db2.gz STDWMXLCMWNXJM-KRWDZBQOSA-N 2 2 346.450 2.232 40 0 EEABLP C[NH+](C)CCOC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccc(F)c2)C1 ZINC000096187824 463199459 /nfs/dbraw/zinc/19/94/59/463199459.db2.gz STDWMXLCMWNXJM-KRWDZBQOSA-N 2 2 346.450 2.232 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188329 463200270 /nfs/dbraw/zinc/20/02/70/463200270.db2.gz JMUDSRIKSZJCFD-HNNXBMFYSA-N 2 2 346.500 2.486 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188329 463200276 /nfs/dbraw/zinc/20/02/76/463200276.db2.gz JMUDSRIKSZJCFD-HNNXBMFYSA-N 2 2 346.500 2.486 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@@H](c2cnn(C)c2)N(C)C)n1-c1ccccc1 ZINC000084044164 463574646 /nfs/dbraw/zinc/57/46/46/463574646.db2.gz NNKSBDCVHCKLDL-IBGZPJMESA-N 2 2 338.459 2.307 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561618 464077247 /nfs/dbraw/zinc/07/72/47/464077247.db2.gz DGRXODPOKJJDIO-CVEARBPZSA-N 2 2 347.484 2.267 40 0 EEABLP C[NH+](C)CC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248143186 464734604 /nfs/dbraw/zinc/73/46/04/464734604.db2.gz UVDQPDATRPZFOH-INIZCTEOSA-N 2 2 328.416 2.120 40 0 EEABLP C[NH+](C)CC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248143186 464734610 /nfs/dbraw/zinc/73/46/10/464734610.db2.gz UVDQPDATRPZFOH-INIZCTEOSA-N 2 2 328.416 2.120 40 0 EEABLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020533582 202047665 /nfs/dbraw/zinc/04/76/65/202047665.db2.gz HTNZXSWDPLJVRT-FQEVSTJZSA-N 2 2 335.451 2.045 40 0 EEABLP Nc1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]c2ccccc12 ZINC000096486689 279708079 /nfs/dbraw/zinc/70/80/79/279708079.db2.gz AHOZQIOAKJGEKR-OAHLLOKOSA-N 2 2 341.459 2.293 40 0 EEABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052070 463155394 /nfs/dbraw/zinc/15/53/94/463155394.db2.gz ROCBYHMSAWGWIE-IEBWSBKVSA-N 2 2 345.418 2.330 40 0 EEABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)cc1 ZINC000096052070 463155400 /nfs/dbraw/zinc/15/54/00/463155400.db2.gz ROCBYHMSAWGWIE-IEBWSBKVSA-N 2 2 345.418 2.330 40 0 EEABLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080114168 463283831 /nfs/dbraw/zinc/28/38/31/463283831.db2.gz MSWFHTKQORVWDB-RDJZCZTQSA-N 2 2 341.459 2.272 40 0 EEABLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080114168 463283835 /nfs/dbraw/zinc/28/38/35/463283835.db2.gz MSWFHTKQORVWDB-RDJZCZTQSA-N 2 2 341.459 2.272 40 0 EEABLP CCc1nn(C)c(OC)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000195556671 464076456 /nfs/dbraw/zinc/07/64/56/464076456.db2.gz OJLYAFMJZZDFTD-CQSZACIVSA-N 2 2 331.464 2.179 40 0 EEABLP CCc1nn(C)c(OC)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000195556671 464076463 /nfs/dbraw/zinc/07/64/63/464076463.db2.gz OJLYAFMJZZDFTD-CQSZACIVSA-N 2 2 331.464 2.179 40 0 EEABLP COc1ccc(C[C@H]2C[N@H+](C)CC[C@@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723224 563964404 /nfs/dbraw/zinc/96/44/04/563964404.db2.gz YGWHLMHYBRSOGM-HOCLYGCPSA-N 2 2 334.460 2.327 40 0 EEABLP COc1ccc(C[C@H]2C[N@@H+](C)CC[C@@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723224 563964405 /nfs/dbraw/zinc/96/44/05/563964405.db2.gz YGWHLMHYBRSOGM-HOCLYGCPSA-N 2 2 334.460 2.327 40 0 EEABLP O=C(c1ccn2cc[nH+]c2c1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095438379 284724316 /nfs/dbraw/zinc/72/43/16/284724316.db2.gz ZCOLLUHNSNRCNO-UHFFFAOYSA-N 2 2 341.802 2.345 40 0 EEABLP Cc1cc2nc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)cc(=O)n2[nH]1 ZINC000257201595 292022741 /nfs/dbraw/zinc/02/27/41/292022741.db2.gz AIGVPEHQQMCAIW-UHFFFAOYSA-N 2 2 329.448 2.017 40 0 EEABLP Cc1cccc(-c2cc(C[NH2+]CCCn3cc[nH+]c3)c3nnnn3c2)c1 ZINC000012126452 462843755 /nfs/dbraw/zinc/84/37/55/462843755.db2.gz HVXVCEKYTYPFEA-UHFFFAOYSA-N 2 2 347.426 2.476 40 0 EEABLP C[C@]1(COc2cccnc2)C[C@@H]2C[N@H+](Cc3c[nH+]c[nH]3)CC[C@@H]2O1 ZINC000257333336 463783390 /nfs/dbraw/zinc/78/33/90/463783390.db2.gz YBDRZIDAVPVICI-FHLIZLRMSA-N 2 2 328.416 2.253 40 0 EEABLP C[C@]1(COc2cccnc2)C[C@@H]2C[N@@H+](Cc3c[nH+]c[nH]3)CC[C@@H]2O1 ZINC000257333336 463783395 /nfs/dbraw/zinc/78/33/95/463783395.db2.gz YBDRZIDAVPVICI-FHLIZLRMSA-N 2 2 328.416 2.253 40 0 EEABLP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000195543750 464074721 /nfs/dbraw/zinc/07/47/21/464074721.db2.gz IHLKNFRMDDSJRB-HNNXBMFYSA-N 2 2 341.908 2.065 40 0 EEABLP c1ccc(N2CC[NH+](C3CC[NH+](CC4CCOCC4)CC3)CC2)nc1 ZINC000252496759 464969825 /nfs/dbraw/zinc/96/98/25/464969825.db2.gz PRFYHRIODLFBQI-UHFFFAOYSA-N 2 2 344.503 2.095 40 0 EEABLP CCOC1CC(CNc2[nH+]c3ccccc3n2C)([NH+]2CCOCC2)C1 ZINC000253429933 465013359 /nfs/dbraw/zinc/01/33/59/465013359.db2.gz VDTGDUQEQWFPQN-UHFFFAOYSA-N 2 2 344.459 2.255 40 0 EEABLP FC(F)n1cc[nH+]c1CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066992065 215101652 /nfs/dbraw/zinc/10/16/52/215101652.db2.gz VXUUCENSTFTJTB-UHFFFAOYSA-N 2 2 336.386 2.447 40 0 EEABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257209502 244145518 /nfs/dbraw/zinc/14/55/18/244145518.db2.gz BQQXSABFOSUYGH-SFHVURJKSA-N 2 2 334.423 2.358 40 0 EEABLP Cc1cccc(N2CCC(NC(=O)c3ccc4[nH+]ccn4c3)CC2)[nH+]1 ZINC000172248258 464029643 /nfs/dbraw/zinc/02/96/43/464029643.db2.gz CMXXNKAQEYATAV-UHFFFAOYSA-N 2 2 335.411 2.437 40 0 EEABLP CC(=O)N1CC[C@H]([NH2+]CC[NH+]2CCCC2)[C@H](Cc2ccccc2)C1 ZINC000585286793 469009483 /nfs/dbraw/zinc/00/94/83/469009483.db2.gz VAHPJCJLECBXBY-UXHICEINSA-N 2 2 329.488 2.152 40 0 EEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@H+](CC1CC1)CCC2 ZINC000096056135 463158369 /nfs/dbraw/zinc/15/83/69/463158369.db2.gz WQIYFPJZIVHBER-PXNSSMCTSA-N 2 2 342.487 2.098 40 0 EEABLP CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056135 463158374 /nfs/dbraw/zinc/15/83/74/463158374.db2.gz WQIYFPJZIVHBER-PXNSSMCTSA-N 2 2 342.487 2.098 40 0 EEABLP [NH3+]CC[NH+]1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1 ZINC000079391035 463210048 /nfs/dbraw/zinc/21/00/48/463210048.db2.gz VTXFMUAWBNNTFN-UHFFFAOYSA-N 2 2 331.460 2.458 40 0 EEABLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1c1ccccc1 ZINC000257328301 463780206 /nfs/dbraw/zinc/78/02/06/463780206.db2.gz XFBLTCDBYAILFP-SFHVURJKSA-N 2 2 347.422 2.396 40 0 EEABLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@H]1c1ccccc1 ZINC000257328301 463780211 /nfs/dbraw/zinc/78/02/11/463780211.db2.gz XFBLTCDBYAILFP-SFHVURJKSA-N 2 2 347.422 2.396 40 0 EEABLP c1cnc2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)c2c1 ZINC000019711051 202016889 /nfs/dbraw/zinc/01/68/89/202016889.db2.gz DWJRJBSBJXHJQI-INIZCTEOSA-N 2 2 348.454 2.309 40 0 EEABLP c1cnc2cccc(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)c2c1 ZINC000019711051 202016893 /nfs/dbraw/zinc/01/68/93/202016893.db2.gz DWJRJBSBJXHJQI-INIZCTEOSA-N 2 2 348.454 2.309 40 0 EEABLP CNc1cc(C)[nH+]c([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)c1 ZINC000257242552 244248496 /nfs/dbraw/zinc/24/84/96/244248496.db2.gz IDBVFGQLXZWVEL-QGZVFWFLSA-N 2 2 343.431 2.009 40 0 EEABLP C[NH+](C)CC[C@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2c[nH+]cn21 ZINC000248095583 464730071 /nfs/dbraw/zinc/73/00/71/464730071.db2.gz GNMRAJYMSDPBEM-HNNXBMFYSA-N 2 2 334.370 2.310 40 0 EEABLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)nc[nH+]1 ZINC000248818378 464805219 /nfs/dbraw/zinc/80/52/19/464805219.db2.gz VMGDSIROGJWKDQ-KJWYOANISA-N 2 2 343.475 2.034 40 0 EEABLP COCC(=O)N1CCC[C@H](c2cc(-n3cc(C)[nH+]c3C)cc[nH+]2)C1 ZINC000585178789 468994606 /nfs/dbraw/zinc/99/46/06/468994606.db2.gz BBASBSGALLXDNW-HNNXBMFYSA-N 2 2 328.416 2.237 40 0 EEABLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000077202437 202385597 /nfs/dbraw/zinc/38/55/97/202385597.db2.gz APGVAYDYGLQCGL-UHFFFAOYSA-N 2 2 348.491 2.493 40 0 EEABLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1C ZINC000077202437 202385601 /nfs/dbraw/zinc/38/56/01/202385601.db2.gz APGVAYDYGLQCGL-UHFFFAOYSA-N 2 2 348.491 2.493 40 0 EEABLP Cc1ccc2c([nH+]1)N(CC[NH+](C)C)CCN(C(=O)c1ccsc1)C2 ZINC000096100593 292377207 /nfs/dbraw/zinc/37/72/07/292377207.db2.gz PXPPAEZJPZNDJA-UHFFFAOYSA-N 2 2 344.484 2.476 40 0 EEABLP CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC000257291675 275663377 /nfs/dbraw/zinc/66/33/77/275663377.db2.gz QIDAWBWTHJJKMP-SFHVURJKSA-N 2 2 342.443 2.234 40 0 EEABLP c1cc2[nH+]ccc(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)c2s1 ZINC000096427302 280475167 /nfs/dbraw/zinc/47/51/67/280475167.db2.gz VRONYHFOEHQXPG-CZUORRHYSA-N 2 2 333.457 2.446 40 0 EEABLP Cc1cc(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000096489216 463285040 /nfs/dbraw/zinc/28/50/40/463285040.db2.gz FNCNOKBBNGOPGL-UHFFFAOYSA-N 2 2 332.448 2.499 40 0 EEABLP C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000096503061 463292502 /nfs/dbraw/zinc/29/25/02/463292502.db2.gz SGUJQGBAKTYATQ-GFCCVEGCSA-N 2 2 346.381 2.342 40 0 EEABLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nnnn1C ZINC000189835377 278266933 /nfs/dbraw/zinc/26/69/33/278266933.db2.gz GWZWTZZQUTWEMW-HNNXBMFYSA-N 2 2 328.464 2.437 40 0 EEABLP Cc1cc(N2CC[NH+](CC3=CCCOC3)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697963 463020390 /nfs/dbraw/zinc/02/03/90/463020390.db2.gz CUZQLZFPMMZSBY-LJQANCHMSA-N 3 2 342.487 2.283 40 0 EEABLP c1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)co1 ZINC000096185659 463198008 /nfs/dbraw/zinc/19/80/08/463198008.db2.gz VIDSKWZSZPSKRZ-QYZOEREBSA-N 2 2 341.459 2.246 40 0 EEABLP c1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)co1 ZINC000096185659 463198014 /nfs/dbraw/zinc/19/80/14/463198014.db2.gz VIDSKWZSZPSKRZ-QYZOEREBSA-N 2 2 341.459 2.246 40 0 EEABLP c1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)co1 ZINC000096185659 463198016 /nfs/dbraw/zinc/19/80/16/463198016.db2.gz VIDSKWZSZPSKRZ-QYZOEREBSA-N 2 2 341.459 2.246 40 0 EEABLP c1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)co1 ZINC000096185659 463198024 /nfs/dbraw/zinc/19/80/24/463198024.db2.gz VIDSKWZSZPSKRZ-QYZOEREBSA-N 2 2 341.459 2.246 40 0 EEABLP C[C@H](CC(=O)N(C)C)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000096477500 463281363 /nfs/dbraw/zinc/28/13/63/463281363.db2.gz RSAGWNUCTCSLKZ-OAHLLOKOSA-N 2 2 327.538 2.195 40 0 EEABLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000096503108 463292941 /nfs/dbraw/zinc/29/29/41/463292941.db2.gz KDAKVUXMYPJRCJ-OAHLLOKOSA-N 2 2 347.488 2.423 40 0 EEABLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000097230761 463350886 /nfs/dbraw/zinc/35/08/86/463350886.db2.gz VTFLSLJSEYFCPA-KBAYOESNSA-N 2 2 336.501 2.064 40 0 EEABLP C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000097230761 463350889 /nfs/dbraw/zinc/35/08/89/463350889.db2.gz VTFLSLJSEYFCPA-KBAYOESNSA-N 2 2 336.501 2.064 40 0 EEABLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416352 465005126 /nfs/dbraw/zinc/00/51/26/465005126.db2.gz HPGJXZPFXJUPHU-OALUTQOASA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000253416352 465005131 /nfs/dbraw/zinc/00/51/31/465005131.db2.gz HPGJXZPFXJUPHU-OALUTQOASA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000253416352 465005138 /nfs/dbraw/zinc/00/51/38/465005138.db2.gz HPGJXZPFXJUPHU-OALUTQOASA-N 2 2 346.471 2.305 40 0 EEABLP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000253416352 465005144 /nfs/dbraw/zinc/00/51/44/465005144.db2.gz HPGJXZPFXJUPHU-OALUTQOASA-N 2 2 346.471 2.305 40 0 EEABLP CCc1[nH]c(C[N@@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585275410 468999652 /nfs/dbraw/zinc/99/96/52/468999652.db2.gz BMTJJOBBMBIGKB-SFHVURJKSA-N 2 2 333.407 2.435 40 0 EEABLP CCc1[nH]c(C[N@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000585275410 468999660 /nfs/dbraw/zinc/99/96/60/468999660.db2.gz BMTJJOBBMBIGKB-SFHVURJKSA-N 2 2 333.407 2.435 40 0 EEABLP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000333407945 312142933 /nfs/dbraw/zinc/14/29/33/312142933.db2.gz ZMDBFGURFRMULG-NVXWUHKLSA-N 2 2 343.431 2.085 40 0 EEABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096197040 463202937 /nfs/dbraw/zinc/20/29/37/463202937.db2.gz TUVKJDHJTBNCFT-UHFFFAOYSA-N 2 2 344.484 2.419 40 0 EEABLP O=C(CC1CC1)NCc1c[nH+]c2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000096197040 463202942 /nfs/dbraw/zinc/20/29/42/463202942.db2.gz TUVKJDHJTBNCFT-UHFFFAOYSA-N 2 2 344.484 2.419 40 0 EEABLP CC(C)Oc1ccc([C@@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@@H+]2C)cc1 ZINC000257323914 463777490 /nfs/dbraw/zinc/77/74/90/463777490.db2.gz WMJLPVZKBDSSNA-IBGZPJMESA-N 2 2 345.487 2.289 40 0 EEABLP CC(C)Oc1ccc([C@@H]2CN(C(=O)C3CC[NH2+]CC3)CC[N@H+]2C)cc1 ZINC000257323914 463777494 /nfs/dbraw/zinc/77/74/94/463777494.db2.gz WMJLPVZKBDSSNA-IBGZPJMESA-N 2 2 345.487 2.289 40 0 EEABLP COc1cc[nH+]c(CN2CCN(c3cc[nH+]cc3Cl)CC2)c1OC ZINC000190960216 464751314 /nfs/dbraw/zinc/75/13/14/464751314.db2.gz SRCQRCYGPQMMMM-UHFFFAOYSA-N 2 2 348.834 2.469 40 0 EEABLP O[C@H](C[NH2+]Cc1sccc1Br)C[NH+]1CCCCC1 ZINC000097378292 219020450 /nfs/dbraw/zinc/02/04/50/219020450.db2.gz YHCNXQPAYYTMAS-LLVKDONJSA-N 2 2 333.295 2.447 40 0 EEABLP c1cc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096108211 463176869 /nfs/dbraw/zinc/17/68/69/463176869.db2.gz RKTFVMOBVZLPBG-FUHWJXTLSA-N 2 2 329.469 2.476 40 0 EEABLP c1cc(C[NH+]2CCO[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096108211 463176875 /nfs/dbraw/zinc/17/68/75/463176875.db2.gz RKTFVMOBVZLPBG-FUHWJXTLSA-N 2 2 329.469 2.476 40 0 EEABLP c1cc(C[N@@H+]2CCO[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096108211 463176882 /nfs/dbraw/zinc/17/68/82/463176882.db2.gz RKTFVMOBVZLPBG-FUHWJXTLSA-N 2 2 329.469 2.476 40 0 EEABLP c1cc(C[N@H+]2CCO[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096108211 463176887 /nfs/dbraw/zinc/17/68/87/463176887.db2.gz RKTFVMOBVZLPBG-FUHWJXTLSA-N 2 2 329.469 2.476 40 0 EEABLP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cn1 ZINC000096158030 463189707 /nfs/dbraw/zinc/18/97/07/463189707.db2.gz LBJQSVBVNZUTFD-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)cn1 ZINC000096158030 463189716 /nfs/dbraw/zinc/18/97/16/463189716.db2.gz LBJQSVBVNZUTFD-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)cn1 ZINC000096158030 463189719 /nfs/dbraw/zinc/18/97/19/463189719.db2.gz LBJQSVBVNZUTFD-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)cn1 ZINC000096158030 463189726 /nfs/dbraw/zinc/18/97/26/463189726.db2.gz LBJQSVBVNZUTFD-IBGZPJMESA-N 2 2 325.460 2.303 40 0 EEABLP Cc1ccc([C@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000096485469 463283951 /nfs/dbraw/zinc/28/39/51/463283951.db2.gz JYYDIBKQGFHOON-QGZVFWFLSA-N 2 2 348.491 2.461 40 0 EEABLP c1ccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000252503092 464972214 /nfs/dbraw/zinc/97/22/14/464972214.db2.gz UYFMRHRPVQDOOA-HXUWFJFHSA-N 2 2 329.488 2.452 40 0 EEABLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000253370767 464995217 /nfs/dbraw/zinc/99/52/17/464995217.db2.gz VTFLSLJSEYFCPA-NXHRZFHOSA-N 2 2 336.501 2.064 40 0 EEABLP C[C@@H]1C[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000253370767 464995223 /nfs/dbraw/zinc/99/52/23/464995223.db2.gz VTFLSLJSEYFCPA-NXHRZFHOSA-N 2 2 336.501 2.064 40 0 EEABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000023247899 212362909 /nfs/dbraw/zinc/36/29/09/212362909.db2.gz KJAPVNPSTKAHPB-HNNXBMFYSA-N 2 2 345.443 2.119 40 0 EEABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000023247899 212362914 /nfs/dbraw/zinc/36/29/14/212362914.db2.gz KJAPVNPSTKAHPB-HNNXBMFYSA-N 2 2 345.443 2.119 40 0 EEABLP c1coc(C[N@H+]2Cc3nccn3C[C@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066858 463164352 /nfs/dbraw/zinc/16/43/52/463164352.db2.gz PZAWDEQUVYACKT-QGZVFWFLSA-N 2 2 344.459 2.221 40 0 EEABLP c1coc(C[N@@H+]2Cc3nccn3C[C@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066858 463164359 /nfs/dbraw/zinc/16/43/59/463164359.db2.gz PZAWDEQUVYACKT-QGZVFWFLSA-N 2 2 344.459 2.221 40 0 EEABLP c1coc(CN2Cc3[nH+]ccn3C[C@H](COCC[NH+]3CCCC3)C2)c1 ZINC000096066858 463164365 /nfs/dbraw/zinc/16/43/65/463164365.db2.gz PZAWDEQUVYACKT-QGZVFWFLSA-N 2 2 344.459 2.221 40 0 EEABLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185634 463197139 /nfs/dbraw/zinc/19/71/39/463197139.db2.gz JFGLDBLNHOUEDB-SQNIBIBYSA-N 2 2 329.448 2.245 40 0 EEABLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185634 463197142 /nfs/dbraw/zinc/19/71/42/463197142.db2.gz JFGLDBLNHOUEDB-SQNIBIBYSA-N 2 2 329.448 2.245 40 0 EEABLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185634 463197147 /nfs/dbraw/zinc/19/71/47/463197147.db2.gz JFGLDBLNHOUEDB-SQNIBIBYSA-N 2 2 329.448 2.245 40 0 EEABLP CC(C)[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185634 463197151 /nfs/dbraw/zinc/19/71/51/463197151.db2.gz JFGLDBLNHOUEDB-SQNIBIBYSA-N 2 2 329.448 2.245 40 0 EEABLP C[N@@H+](Cc1cn2c(n1)C[NH+](C1CCOCC1)CC2)Cc1ccco1 ZINC000096197477 463202451 /nfs/dbraw/zinc/20/24/51/463202451.db2.gz YCTPIRCBXQUAOM-UHFFFAOYSA-N 2 2 330.432 2.103 40 0 EEABLP C[N@H+](Cc1cn2c(n1)C[NH+](C1CCOCC1)CC2)Cc1ccco1 ZINC000096197477 463202458 /nfs/dbraw/zinc/20/24/58/463202458.db2.gz YCTPIRCBXQUAOM-UHFFFAOYSA-N 2 2 330.432 2.103 40 0 EEABLP C[NH+](Cc1cn2c(n1)C[N@H+](C1CCOCC1)CC2)Cc1ccco1 ZINC000096197477 463202464 /nfs/dbraw/zinc/20/24/64/463202464.db2.gz YCTPIRCBXQUAOM-UHFFFAOYSA-N 2 2 330.432 2.103 40 0 EEABLP C[NH+](Cc1cn2c(n1)C[N@@H+](C1CCOCC1)CC2)Cc1ccco1 ZINC000096197477 463202469 /nfs/dbraw/zinc/20/24/69/463202469.db2.gz YCTPIRCBXQUAOM-UHFFFAOYSA-N 2 2 330.432 2.103 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C ZINC000252570844 464982407 /nfs/dbraw/zinc/98/24/07/464982407.db2.gz XKJAKVLUUFGBRG-DZJNRPSUSA-N 2 2 340.475 2.161 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1nnnn1C ZINC000252570844 464982413 /nfs/dbraw/zinc/98/24/13/464982413.db2.gz XKJAKVLUUFGBRG-DZJNRPSUSA-N 2 2 340.475 2.161 40 0 EEABLP COCC(=O)N1CCC[C@@H](c2cc(-n3cc(C)[nH+]c3C)cc[nH+]2)C1 ZINC000585178790 468993760 /nfs/dbraw/zinc/99/37/60/468993760.db2.gz BBASBSGALLXDNW-OAHLLOKOSA-N 2 2 328.416 2.237 40 0 EEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](CC2CCOCC2)C3)[nH+]c1 ZINC000096062491 463163378 /nfs/dbraw/zinc/16/33/78/463163378.db2.gz VPVPNJFOPNGNHX-LJQANCHMSA-N 2 2 331.460 2.037 40 0 EEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@H+](CC2CCOCC2)C3)[nH+]c1 ZINC000096062491 463163384 /nfs/dbraw/zinc/16/33/84/463163384.db2.gz VPVPNJFOPNGNHX-LJQANCHMSA-N 2 2 331.460 2.037 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccn1)C2 ZINC000096158034 463188611 /nfs/dbraw/zinc/18/86/11/463188611.db2.gz HVGLDYOQQYHBFI-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158034 463188618 /nfs/dbraw/zinc/18/86/18/463188618.db2.gz HVGLDYOQQYHBFI-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](C4CCC4)C3)C2)nc[nH+]1 ZINC000096206301 463208276 /nfs/dbraw/zinc/20/82/76/463208276.db2.gz XVDGGDIFWXAZBH-KBXCAEBGSA-N 2 2 331.464 2.131 40 0 EEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](C4CCC4)C3)C2)nc[nH+]1 ZINC000096206301 463208282 /nfs/dbraw/zinc/20/82/82/463208282.db2.gz XVDGGDIFWXAZBH-KBXCAEBGSA-N 2 2 331.464 2.131 40 0 EEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@@H+](C4CCC4)C3)C2)[nH+]cn1 ZINC000096206301 463208289 /nfs/dbraw/zinc/20/82/89/463208289.db2.gz XVDGGDIFWXAZBH-KBXCAEBGSA-N 2 2 331.464 2.131 40 0 EEABLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[N@H+](C4CCC4)C3)C2)[nH+]cn1 ZINC000096206301 463208296 /nfs/dbraw/zinc/20/82/96/463208296.db2.gz XVDGGDIFWXAZBH-KBXCAEBGSA-N 2 2 331.464 2.131 40 0 EEABLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1nnnn1C ZINC000189835394 277624285 /nfs/dbraw/zinc/62/42/85/277624285.db2.gz GWZWTZZQUTWEMW-OAHLLOKOSA-N 2 2 328.464 2.437 40 0 EEABLP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCc2ccccc21 ZINC000090795905 462809617 /nfs/dbraw/zinc/80/96/17/462809617.db2.gz KWLNQEOTNOFQOL-NRFANRHFSA-N 2 2 337.467 2.470 40 0 EEABLP CCc1nc(N2CC[NH+](C[C@H](O)c3cccs3)CC2)cc(C)[nH+]1 ZINC000019523160 463017315 /nfs/dbraw/zinc/01/73/15/463017315.db2.gz QHMLRMNJSOXFQW-AWEZNQCLSA-N 2 2 332.473 2.265 40 0 EEABLP Cc1cccc(C[N@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)n1 ZINC000096259889 463230182 /nfs/dbraw/zinc/23/01/82/463230182.db2.gz GENUOLKUQAWVAV-UHFFFAOYSA-N 2 2 340.475 2.026 40 0 EEABLP Cc1cccc(C[N@@H+]2CCc3nnc(C[NH+]4CCCCC4)n3CC2)n1 ZINC000096259889 463230185 /nfs/dbraw/zinc/23/01/85/463230185.db2.gz GENUOLKUQAWVAV-UHFFFAOYSA-N 2 2 340.475 2.026 40 0 EEABLP CC[NH+](CC)CCNC(=O)c1nc([C@H]2CCC[N@@H+]2C)n2ccccc12 ZINC000306132064 466491302 /nfs/dbraw/zinc/49/13/02/466491302.db2.gz KWYSCSZZTCPNFW-MRXNPFEDSA-N 2 2 343.475 2.173 40 0 EEABLP CC[NH+](CC)CCNC(=O)c1nc([C@H]2CCC[N@H+]2C)n2ccccc12 ZINC000306132064 466491308 /nfs/dbraw/zinc/49/13/08/466491308.db2.gz KWYSCSZZTCPNFW-MRXNPFEDSA-N 2 2 343.475 2.173 40 0 EEABLP CC(=O)N1CCC[C@@](O)(C[NH+]2CCC(c3cc[nH+]c(C)c3)CC2)CC1 ZINC000072367463 216175182 /nfs/dbraw/zinc/17/51/82/216175182.db2.gz VQKCFTKZQRIZRV-FQEVSTJZSA-N 2 2 345.487 2.333 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072379012 216181330 /nfs/dbraw/zinc/18/13/30/216181330.db2.gz ZVHMYHKOMFODNF-HNNXBMFYSA-N 2 2 327.432 2.055 40 0 EEABLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257271788 244379148 /nfs/dbraw/zinc/37/91/48/244379148.db2.gz MZUFNHMPTOAMLH-INIZCTEOSA-N 2 2 327.432 2.022 40 0 EEABLP [NH3+]CC[N@@H+]1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391025 217217854 /nfs/dbraw/zinc/21/78/54/217217854.db2.gz AJZVLDXTSUNOPO-QGZVFWFLSA-N 2 2 331.460 2.458 40 0 EEABLP [NH3+]CC[N@H+]1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391025 217217858 /nfs/dbraw/zinc/21/78/58/217217858.db2.gz AJZVLDXTSUNOPO-QGZVFWFLSA-N 2 2 331.460 2.458 40 0 EEABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@H+](CC1CCOCC1)C2 ZINC000096197518 463203615 /nfs/dbraw/zinc/20/36/15/463203615.db2.gz HCJDDDIOROQKRQ-UHFFFAOYSA-N 2 2 327.432 2.132 40 0 EEABLP c1c(CNc2cccc[nH+]2)nc2n1CC[N@@H+](CC1CCOCC1)C2 ZINC000096197518 463203620 /nfs/dbraw/zinc/20/36/20/463203620.db2.gz HCJDDDIOROQKRQ-UHFFFAOYSA-N 2 2 327.432 2.132 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486205 463283992 /nfs/dbraw/zinc/28/39/92/463283992.db2.gz HIATWEVIZJVSRJ-GOEBONIOSA-N 2 2 342.418 2.431 40 0 EEABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cnn(C)c3)n(C)n2)CC1 ZINC000257306496 463770061 /nfs/dbraw/zinc/77/00/61/463770061.db2.gz SUMLDAOARBZLCC-JCNLHEQBSA-N 2 2 344.507 2.279 40 0 EEABLP C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cnn(C)c3)n(C)n2)CC1 ZINC000257306496 463770066 /nfs/dbraw/zinc/77/00/66/463770066.db2.gz SUMLDAOARBZLCC-JCNLHEQBSA-N 2 2 344.507 2.279 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257334196 463783068 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C[N@@H+](Cc1ccc(F)cc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2F)[C@@H]1O ZINC000257213729 244161381 /nfs/dbraw/zinc/16/13/81/244161381.db2.gz CIVZOFQUBTUTLC-YSHGAJCASA-N 2 2 348.393 2.305 40 0 EEABLP Cc1nc2c(c(N3CC[NH+](C)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000012338324 462850532 /nfs/dbraw/zinc/85/05/32/462850532.db2.gz IADFDPBQPPAAJA-UHFFFAOYSA-N 2 2 337.471 2.095 40 0 EEABLP Cc1nc2c(c(N3CC[NH+](C)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012338324 462850537 /nfs/dbraw/zinc/85/05/37/462850537.db2.gz IADFDPBQPPAAJA-UHFFFAOYSA-N 2 2 337.471 2.095 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561615 464077855 /nfs/dbraw/zinc/07/78/55/464077855.db2.gz DGRXODPOKJJDIO-HOTGVXAUSA-N 2 2 347.484 2.267 40 0 EEABLP Cc1[nH+]c2ccccc2c(N2CC[NH+](CCS(C)(=O)=O)CC2)c1C ZINC000097371930 219016252 /nfs/dbraw/zinc/01/62/52/219016252.db2.gz XMTMRQWKVBNLRK-UHFFFAOYSA-N 2 2 347.484 2.018 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccccc1 ZINC000022075082 463045033 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0 EEABLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)Cn3cc[nH+]c3)CC2)[nH+]c1 ZINC000081798321 463494489 /nfs/dbraw/zinc/49/44/89/463494489.db2.gz AAHCRORPOCONCL-INIZCTEOSA-N 2 2 341.459 2.255 40 0 EEABLP COc1cc(C)ccc1C[N@@H+]1CCn2c(nnc2[C@H]2CCCC[NH2+]2)C1 ZINC000072374059 216177731 /nfs/dbraw/zinc/17/77/31/216177731.db2.gz ADDLMWYAFYJAOO-MRXNPFEDSA-N 2 2 341.459 2.426 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCn2c(nnc2[C@H]2CCCC[NH2+]2)C1 ZINC000072374059 216177733 /nfs/dbraw/zinc/17/77/33/216177733.db2.gz ADDLMWYAFYJAOO-MRXNPFEDSA-N 2 2 341.459 2.426 40 0 EEABLP CNc1cc(CC[C@@H]2C[N@H+](Cc3cnc(C)cn3)CCO2)cc[nH+]1 ZINC000257229201 244207958 /nfs/dbraw/zinc/20/79/58/244207958.db2.gz FXDDJCAJJMVXSW-QGZVFWFLSA-N 2 2 327.432 2.055 40 0 EEABLP CNc1cc(CC[C@@H]2C[N@@H+](Cc3cnc(C)cn3)CCO2)cc[nH+]1 ZINC000257229201 244207964 /nfs/dbraw/zinc/20/79/64/244207964.db2.gz FXDDJCAJJMVXSW-QGZVFWFLSA-N 2 2 327.432 2.055 40 0 EEABLP C[N@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257244429 244253833 /nfs/dbraw/zinc/25/38/33/244253833.db2.gz ILGUYTJUHNFHND-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP C[N@@H+](Cc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257244429 244253838 /nfs/dbraw/zinc/25/38/38/244253838.db2.gz ILGUYTJUHNFHND-YRXWBPOGSA-N 2 2 330.403 2.166 40 0 EEABLP CCc1nc(N2CC[NH+](C[C@@H](O)c3cccs3)CC2)cc(C)[nH+]1 ZINC000019523159 463017888 /nfs/dbraw/zinc/01/78/88/463017888.db2.gz QHMLRMNJSOXFQW-CQSZACIVSA-N 2 2 332.473 2.265 40 0 EEABLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)O2)CC1 ZINC000096207094 463209717 /nfs/dbraw/zinc/20/97/17/463209717.db2.gz KMCGIGWIECQYCW-RTBURBONSA-N 2 2 333.476 2.041 40 0 EEABLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccco4)C3)O2)CC1 ZINC000096207094 463209725 /nfs/dbraw/zinc/20/97/25/463209725.db2.gz KMCGIGWIECQYCW-RTBURBONSA-N 2 2 333.476 2.041 40 0 EEABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)O2)CC1 ZINC000096207094 463209729 /nfs/dbraw/zinc/20/97/29/463209729.db2.gz KMCGIGWIECQYCW-RTBURBONSA-N 2 2 333.476 2.041 40 0 EEABLP CN1CC[NH+](C[C@H]2CCC[C@]3(CC[N@@H+](Cc4ccco4)C3)O2)CC1 ZINC000096207094 463209736 /nfs/dbraw/zinc/20/97/36/463209736.db2.gz KMCGIGWIECQYCW-RTBURBONSA-N 2 2 333.476 2.041 40 0 EEABLP Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000096493105 463287932 /nfs/dbraw/zinc/28/79/32/463287932.db2.gz AAQHNMBXVXDIQU-MRXNPFEDSA-N 2 2 327.432 2.327 40 0 EEABLP Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000096493105 463287937 /nfs/dbraw/zinc/28/79/37/463287937.db2.gz AAQHNMBXVXDIQU-MRXNPFEDSA-N 2 2 327.432 2.327 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)N2CCOC[C@@H]2C)n1-c1ccccc1 ZINC000084024489 463574622 /nfs/dbraw/zinc/57/46/22/463574622.db2.gz VNJSLQRABNJJMJ-CVEARBPZSA-N 2 2 328.460 2.380 40 0 EEABLP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000585289184 469009231 /nfs/dbraw/zinc/00/92/31/469009231.db2.gz NNJQCJRAUZTDLH-RCCFBDPRSA-N 2 2 333.407 2.363 40 0 EEABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072378802 216180983 /nfs/dbraw/zinc/18/09/83/216180983.db2.gz RSGHRXGJFVLMFN-KRWDZBQOSA-N 2 2 339.443 2.335 40 0 EEABLP O=C(c1ccc(Cl)cc1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000130743979 223173864 /nfs/dbraw/zinc/17/38/64/223173864.db2.gz FAVYTRIAZWXDGF-UHFFFAOYSA-N 2 2 332.835 2.385 40 0 EEABLP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000130743979 223173865 /nfs/dbraw/zinc/17/38/65/223173865.db2.gz FAVYTRIAZWXDGF-UHFFFAOYSA-N 2 2 332.835 2.385 40 0 EEABLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000096404176 283969865 /nfs/dbraw/zinc/96/98/65/283969865.db2.gz GUEWHLDTOJYQGY-KRWDZBQOSA-N 2 2 346.475 2.296 40 0 EEABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1cccs1)C2 ZINC000096060852 463160918 /nfs/dbraw/zinc/16/09/18/463160918.db2.gz CJYKKCVKOMFZQN-CQSZACIVSA-N 2 2 349.504 2.037 40 0 EEABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1cccs1)C2 ZINC000096060852 463160924 /nfs/dbraw/zinc/16/09/24/463160924.db2.gz CJYKKCVKOMFZQN-CQSZACIVSA-N 2 2 349.504 2.037 40 0 EEABLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NCc3cccnc3)C2)CC1 ZINC000096420045 463252096 /nfs/dbraw/zinc/25/20/96/463252096.db2.gz MABAACVEJZUESJ-LJQANCHMSA-N 2 2 344.503 2.142 40 0 EEABLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NCc3cccnc3)C2)CC1 ZINC000096420045 463252099 /nfs/dbraw/zinc/25/20/99/463252099.db2.gz MABAACVEJZUESJ-LJQANCHMSA-N 2 2 344.503 2.142 40 0 EEABLP COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425854 463431080 /nfs/dbraw/zinc/43/10/80/463431080.db2.gz BMRDXAQTWGPSRQ-HNNXBMFYSA-N 2 2 343.431 2.371 40 0 biogenic,in-vitro EEABLP COc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035425854 463431084 /nfs/dbraw/zinc/43/10/84/463431084.db2.gz BMRDXAQTWGPSRQ-HNNXBMFYSA-N 2 2 343.431 2.371 40 0 biogenic,in-vitro EEABLP Cc1cc(-n2cc[nH+]c2)ccc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000191988316 464841509 /nfs/dbraw/zinc/84/15/09/464841509.db2.gz NACNPPPXAOIZEJ-UHFFFAOYSA-N 2 2 328.460 2.069 40 0 EEABLP Cn1c[nH+]c(CNC(=O)c2ncccc2-c2cccc(C[NH+](C)C)c2)c1 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ZINC000257323543 463778196 /nfs/dbraw/zinc/77/81/96/463778196.db2.gz WKTOMINYLKCGKF-PMACEKPBSA-N 2 2 340.471 2.320 40 0 EEABLP Cc1[nH+]c[nH]c1CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257323543 463778199 /nfs/dbraw/zinc/77/81/99/463778199.db2.gz WKTOMINYLKCGKF-PMACEKPBSA-N 2 2 340.471 2.320 40 0 EEABLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000225547069 464171081 /nfs/dbraw/zinc/17/10/81/464171081.db2.gz FFIPYOPPHWKRMS-AWEZNQCLSA-N 2 2 332.423 2.334 40 0 EEABLP c1ccc2c(C[N@@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)ccnc2c1 ZINC000019711031 212057263 /nfs/dbraw/zinc/05/72/63/212057263.db2.gz BNPHANHQQVKCIP-INIZCTEOSA-N 2 2 348.454 2.309 40 0 EEABLP c1ccc2c(C[N@H+]3CCC[C@H](c4nnc5n4CC[NH2+]C5)C3)ccnc2c1 ZINC000019711031 212057265 /nfs/dbraw/zinc/05/72/65/212057265.db2.gz BNPHANHQQVKCIP-INIZCTEOSA-N 2 2 348.454 2.309 40 0 EEABLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C[N@@H+]1Cc1ccccc1 ZINC000097230764 463351657 /nfs/dbraw/zinc/35/16/57/463351657.db2.gz VTFLSLJSEYFCPA-BPQIPLTHSA-N 2 2 336.501 2.064 40 0 EEABLP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C[N@H+]1Cc1ccccc1 ZINC000097230764 463351664 /nfs/dbraw/zinc/35/16/64/463351664.db2.gz VTFLSLJSEYFCPA-BPQIPLTHSA-N 2 2 336.501 2.064 40 0 EEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4cncs4)C3)n2)c[nH+]1 ZINC000257296353 463767576 /nfs/dbraw/zinc/76/75/76/463767576.db2.gz RCKWEQVDRXQICU-CYBMUJFWSA-N 2 2 326.429 2.498 40 0 EEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4cncs4)C3)n2)c[nH+]1 ZINC000257296353 463767581 /nfs/dbraw/zinc/76/75/81/463767581.db2.gz RCKWEQVDRXQICU-CYBMUJFWSA-N 2 2 326.429 2.498 40 0 EEABLP Nc1cc(CC[C@H]2C[N@H+](CCOc3ccccc3)CCO2)cc[nH+]1 ZINC000257337801 463784557 /nfs/dbraw/zinc/78/45/57/463784557.db2.gz YULSXCVZPJGRBC-SFHVURJKSA-N 2 2 327.428 2.376 40 0 EEABLP Nc1cc(CC[C@H]2C[N@@H+](CCOc3ccccc3)CCO2)cc[nH+]1 ZINC000257337801 463784565 /nfs/dbraw/zinc/78/45/65/463784565.db2.gz YULSXCVZPJGRBC-SFHVURJKSA-N 2 2 327.428 2.376 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2ccnc(C)n2)C3)nc[nH+]1 ZINC000257344575 463788009 /nfs/dbraw/zinc/78/80/09/463788009.db2.gz ZXWNGKMOIKCXJK-UHFFFAOYSA-N 2 2 338.459 2.374 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2ccnc(C)n2)C3)nc[nH+]1 ZINC000257344575 463788013 /nfs/dbraw/zinc/78/80/13/463788013.db2.gz ZXWNGKMOIKCXJK-UHFFFAOYSA-N 2 2 338.459 2.374 40 0 EEABLP c1[nH+]cn2c1C[N@@H+](CC1CCOCC1)C[C@@H]2COCc1ccncc1 ZINC000263621722 464135648 /nfs/dbraw/zinc/13/56/48/464135648.db2.gz BYICZFIPYPVNKA-LJQANCHMSA-N 2 2 342.443 2.278 40 0 EEABLP c1[nH+]cn2c1C[N@H+](CC1CCOCC1)C[C@@H]2COCc1ccncc1 ZINC000263621722 464135654 /nfs/dbraw/zinc/13/56/54/464135654.db2.gz BYICZFIPYPVNKA-LJQANCHMSA-N 2 2 342.443 2.278 40 0 EEABLP C[NH+](C)CC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248143187 464734529 /nfs/dbraw/zinc/73/45/29/464734529.db2.gz UVDQPDATRPZFOH-MRXNPFEDSA-N 2 2 328.416 2.120 40 0 EEABLP C[NH+](C)CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000248143187 464734533 /nfs/dbraw/zinc/73/45/33/464734533.db2.gz UVDQPDATRPZFOH-MRXNPFEDSA-N 2 2 328.416 2.120 40 0 EEABLP Brc1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000330032509 465512023 /nfs/dbraw/zinc/51/20/23/465512023.db2.gz OONITROCQSRKAH-UHFFFAOYSA-N 2 2 335.249 2.468 40 0 EEABLP Cc1nc2c(c(N(C)CC[NH+](C)C)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183345 211311696 /nfs/dbraw/zinc/31/16/96/211311696.db2.gz FIBWYXYJYUNUCJ-UHFFFAOYSA-N 2 2 339.487 2.341 40 0 EEABLP Cc1nc2c(c(N(C)CC[NH+](C)C)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183345 211311701 /nfs/dbraw/zinc/31/17/01/211311701.db2.gz FIBWYXYJYUNUCJ-UHFFFAOYSA-N 2 2 339.487 2.341 40 0 EEABLP Cn1cncc1C[N@@H+]1CCC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107787594 463583896 /nfs/dbraw/zinc/58/38/96/463583896.db2.gz LPSMTTFQSYKDPX-QAPCUYQASA-N 2 2 327.432 2.051 40 0 EEABLP Cn1cncc1C[N@H+]1CCC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000107787594 463583902 /nfs/dbraw/zinc/58/39/02/463583902.db2.gz LPSMTTFQSYKDPX-QAPCUYQASA-N 2 2 327.432 2.051 40 0 EEABLP COc1ccccc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000257278001 244398543 /nfs/dbraw/zinc/39/85/43/244398543.db2.gz OAIYPZSQWNRPTG-KRWDZBQOSA-N 2 2 342.443 2.187 40 0 EEABLP COc1ccccc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC000257278001 244398547 /nfs/dbraw/zinc/39/85/47/244398547.db2.gz OAIYPZSQWNRPTG-KRWDZBQOSA-N 2 2 342.443 2.187 40 0 EEABLP Cc1[nH+]ccn1CC1(O)CC[NH+](CC(=O)c2ccc(F)cc2)CC1 ZINC000019287922 463015307 /nfs/dbraw/zinc/01/53/07/463015307.db2.gz BGKHAMQNJMMKLT-UHFFFAOYSA-N 2 2 331.391 2.040 40 0 EEABLP CCN1CCn2c(C)c[nH+]c2C12CC[NH+](Cc1ccccn1)CC2 ZINC000096037061 463142387 /nfs/dbraw/zinc/14/23/87/463142387.db2.gz UTXNBNHYJHWTIF-UHFFFAOYSA-N 2 2 325.460 2.413 40 0 EEABLP Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)s1 ZINC000096056251 463158323 /nfs/dbraw/zinc/15/83/23/463158323.db2.gz WTVXKLQPGFITDA-RYQLBKOJSA-N 2 2 336.501 2.226 40 0 EEABLP Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCOCC4)[C@H]3C2)s1 ZINC000096056251 463158328 /nfs/dbraw/zinc/15/83/28/463158328.db2.gz WTVXKLQPGFITDA-RYQLBKOJSA-N 2 2 336.501 2.226 40 0 EEABLP C[N@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+]([C@@H]1CCOC1)C2 ZINC000096189526 463202010 /nfs/dbraw/zinc/20/20/10/463202010.db2.gz IDGHYPXJCVGYNL-LJQANCHMSA-N 2 2 338.455 2.256 40 0 EEABLP C[N@@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+]([C@@H]1CCOC1)C2 ZINC000096189526 463202014 /nfs/dbraw/zinc/20/20/14/463202014.db2.gz IDGHYPXJCVGYNL-LJQANCHMSA-N 2 2 338.455 2.256 40 0 EEABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000096189526 463202019 /nfs/dbraw/zinc/20/20/19/463202019.db2.gz IDGHYPXJCVGYNL-LJQANCHMSA-N 2 2 338.455 2.256 40 0 EEABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@H+]([C@@H]1CCOC1)C2 ZINC000096189526 463202021 /nfs/dbraw/zinc/20/20/21/463202021.db2.gz IDGHYPXJCVGYNL-LJQANCHMSA-N 2 2 338.455 2.256 40 0 EEABLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NCc3cccnc3)C2)CC1 ZINC000096420044 463251837 /nfs/dbraw/zinc/25/18/37/463251837.db2.gz MABAACVEJZUESJ-IBGZPJMESA-N 2 2 344.503 2.142 40 0 EEABLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NCc3cccnc3)C2)CC1 ZINC000096420044 463251839 /nfs/dbraw/zinc/25/18/39/463251839.db2.gz MABAACVEJZUESJ-IBGZPJMESA-N 2 2 344.503 2.142 40 0 EEABLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096490489 463287081 /nfs/dbraw/zinc/28/70/81/463287081.db2.gz YQOWXXJOQOLCQM-INIZCTEOSA-N 2 2 327.476 2.165 40 0 EEABLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096490489 463287083 /nfs/dbraw/zinc/28/70/83/463287083.db2.gz YQOWXXJOQOLCQM-INIZCTEOSA-N 2 2 327.476 2.165 40 0 EEABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107738941 463580495 /nfs/dbraw/zinc/58/04/95/463580495.db2.gz JSADXUMHFPAVIW-IRXDYDNUSA-N 2 2 333.457 2.252 40 0 EEABLP c1cn(C[C@H]2CO[C@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)c[nH+]1 ZINC000107738941 463580499 /nfs/dbraw/zinc/58/04/99/463580499.db2.gz JSADXUMHFPAVIW-IRXDYDNUSA-N 2 2 333.457 2.252 40 0 EEABLP COc1cc(C)ccc1C[N@@H+]1CCn2c(nnc2[C@H]2CCC[NH2+]2)C1 ZINC000072373963 216177935 /nfs/dbraw/zinc/17/79/35/216177935.db2.gz SFXWJBRXXVDNQG-OAHLLOKOSA-N 2 2 327.432 2.035 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCn2c(nnc2[C@H]2CCC[NH2+]2)C1 ZINC000072373963 216177939 /nfs/dbraw/zinc/17/79/39/216177939.db2.gz SFXWJBRXXVDNQG-OAHLLOKOSA-N 2 2 327.432 2.035 40 0 EEABLP Cc1ccc(C[N@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)s1 ZINC000096197538 463203642 /nfs/dbraw/zinc/20/36/42/463203642.db2.gz IVLHWSIZLHMGMJ-UHFFFAOYSA-N 2 2 332.473 2.081 40 0 EEABLP Cc1ccc(C[N@@H+]2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)s1 ZINC000096197538 463203648 /nfs/dbraw/zinc/20/36/48/463203648.db2.gz IVLHWSIZLHMGMJ-UHFFFAOYSA-N 2 2 332.473 2.081 40 0 EEABLP CN(C)c1cc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257297479 463766801 /nfs/dbraw/zinc/76/68/01/463766801.db2.gz RHKBGVZHNWCNLE-MRXNPFEDSA-N 2 2 327.432 2.140 40 0 EEABLP Cc1nccc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257340305 463785749 /nfs/dbraw/zinc/78/57/49/463785749.db2.gz ZFKVLFQVFJNHNY-GOSISDBHSA-N 2 2 341.459 2.080 40 0 EEABLP Cc1nccc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)n1 ZINC000257340305 463785752 /nfs/dbraw/zinc/78/57/52/463785752.db2.gz ZFKVLFQVFJNHNY-GOSISDBHSA-N 2 2 341.459 2.080 40 0 EEABLP [NH3+]C[C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000100209436 219094231 /nfs/dbraw/zinc/09/42/31/219094231.db2.gz WUUUXEAVXIZMET-WOVMCDHWSA-N 2 2 331.460 2.222 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257251279 244271544 /nfs/dbraw/zinc/27/15/44/244271544.db2.gz JQCFBKAWBCITKI-INIZCTEOSA-N 2 2 341.459 2.313 40 0 EEABLP c1cnn(-c2ccccc2C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017003 218185770 /nfs/dbraw/zinc/18/57/70/218185770.db2.gz IXRCKGJXOKURJU-SFHVURJKSA-N 2 2 340.471 2.417 40 0 EEABLP c1cnn(-c2ccccc2C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093017003 218185773 /nfs/dbraw/zinc/18/57/73/218185773.db2.gz IXRCKGJXOKURJU-SFHVURJKSA-N 2 2 340.471 2.417 40 0 EEABLP CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@H+]3CC)cc1 ZINC000096077200 463169033 /nfs/dbraw/zinc/16/90/33/463169033.db2.gz ZSFPUEOHCFPJCJ-UHFFFAOYSA-N 2 2 329.488 2.378 40 0 EEABLP CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)CC[N@@H+]3CC)cc1 ZINC000096077200 463169039 /nfs/dbraw/zinc/16/90/39/463169039.db2.gz ZSFPUEOHCFPJCJ-UHFFFAOYSA-N 2 2 329.488 2.378 40 0 EEABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096108004 463175659 /nfs/dbraw/zinc/17/56/59/463175659.db2.gz NTQKJNHGFJCVLF-PKOBYXMFSA-N 2 2 334.460 2.147 40 0 EEABLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096108004 463175666 /nfs/dbraw/zinc/17/56/66/463175666.db2.gz NTQKJNHGFJCVLF-PKOBYXMFSA-N 2 2 334.460 2.147 40 0 EEABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096108004 463175669 /nfs/dbraw/zinc/17/56/69/463175669.db2.gz NTQKJNHGFJCVLF-PKOBYXMFSA-N 2 2 334.460 2.147 40 0 EEABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096108004 463175675 /nfs/dbraw/zinc/17/56/75/463175675.db2.gz NTQKJNHGFJCVLF-PKOBYXMFSA-N 2 2 334.460 2.147 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257341426 463785559 /nfs/dbraw/zinc/78/55/59/463785559.db2.gz ZKGIGDSBIIZGLM-HNNXBMFYSA-N 2 2 327.432 2.288 40 0 EEABLP OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH2+]CC1 ZINC000225475450 464163872 /nfs/dbraw/zinc/16/38/72/464163872.db2.gz RLARICCFKMSYPH-UHFFFAOYSA-N 2 2 329.469 2.272 40 0 biogenic,in-vitro EEABLP OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH2+]CC1 ZINC000225475450 464163876 /nfs/dbraw/zinc/16/38/76/464163876.db2.gz RLARICCFKMSYPH-UHFFFAOYSA-N 2 2 329.469 2.272 40 0 biogenic,in-vitro EEABLP CCn1c[nH+]cc1CN1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012147177 211306351 /nfs/dbraw/zinc/30/63/51/211306351.db2.gz UOBCCSODYBWWIQ-MRXNPFEDSA-N 2 2 326.444 2.339 40 0 EEABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188294 463200253 /nfs/dbraw/zinc/20/02/53/463200253.db2.gz CDYCCWHAJLBUCY-OAHLLOKOSA-N 2 2 346.500 2.488 40 0 EEABLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000096404175 463238502 /nfs/dbraw/zinc/23/85/02/463238502.db2.gz GUEWHLDTOJYQGY-QGZVFWFLSA-N 2 2 346.475 2.296 40 0 EEABLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096490487 463286598 /nfs/dbraw/zinc/28/65/98/463286598.db2.gz YQOWXXJOQOLCQM-MRXNPFEDSA-N 2 2 327.476 2.165 40 0 EEABLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000096490487 463286602 /nfs/dbraw/zinc/28/66/02/463286602.db2.gz YQOWXXJOQOLCQM-MRXNPFEDSA-N 2 2 327.476 2.165 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000107738954 463581111 /nfs/dbraw/zinc/58/11/11/463581111.db2.gz OACJGUNKKLGUIH-WMZOPIPTSA-N 2 2 331.416 2.092 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000107738954 463581114 /nfs/dbraw/zinc/58/11/14/463581114.db2.gz OACJGUNKKLGUIH-WMZOPIPTSA-N 2 2 331.416 2.092 40 0 EEABLP C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)nc1 ZINC000257296805 463767533 /nfs/dbraw/zinc/76/75/33/463767533.db2.gz RELZXJPIWCMBRK-GOSISDBHSA-N 2 2 341.459 2.484 40 0 EEABLP Cc1c(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257303571 463770200 /nfs/dbraw/zinc/77/02/00/463770200.db2.gz SHSWSUIQTWDBDZ-SFHVURJKSA-N 2 2 343.475 2.023 40 0 EEABLP Cc1c(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257303571 463770205 /nfs/dbraw/zinc/77/02/05/463770205.db2.gz SHSWSUIQTWDBDZ-SFHVURJKSA-N 2 2 343.475 2.023 40 0 EEABLP COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)C[NH+]1CCCC1 ZINC000257318805 463775866 /nfs/dbraw/zinc/77/58/66/463775866.db2.gz VPLVVZMAFQBNQL-INIZCTEOSA-N 2 2 340.427 2.071 40 0 EEABLP CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035426134 277302257 /nfs/dbraw/zinc/30/22/57/277302257.db2.gz MHSLVNMNIWMFSS-HNNXBMFYSA-N 2 2 342.447 2.404 40 0 biogenic,in-vitro EEABLP CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)n2)cn1 ZINC000035426134 277302258 /nfs/dbraw/zinc/30/22/58/277302258.db2.gz MHSLVNMNIWMFSS-HNNXBMFYSA-N 2 2 342.447 2.404 40 0 biogenic,in-vitro EEABLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4[nH+]ccn4C)CC[N@@H+]3C2)cc1 ZINC000096183512 463196140 /nfs/dbraw/zinc/19/61/40/463196140.db2.gz YRVMRNYLTNICIM-FUHWJXTLSA-N 2 2 326.444 2.066 40 0 EEABLP Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4[nH+]ccn4C)CC[N@H+]3C2)cc1 ZINC000096183512 463196145 /nfs/dbraw/zinc/19/61/45/463196145.db2.gz YRVMRNYLTNICIM-FUHWJXTLSA-N 2 2 326.444 2.066 40 0 EEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)NCC[N@H+]3CC(C)C)cc1 ZINC000096230173 463223529 /nfs/dbraw/zinc/22/35/29/463223529.db2.gz IJBBWZZHBSOCIS-UHFFFAOYSA-N 2 2 345.487 2.118 40 0 EEABLP COc1ccc(C[NH+]2CCC3(CC2)C(=O)NCC[N@@H+]3CC(C)C)cc1 ZINC000096230173 463223534 /nfs/dbraw/zinc/22/35/34/463223534.db2.gz IJBBWZZHBSOCIS-UHFFFAOYSA-N 2 2 345.487 2.118 40 0 EEABLP Cc1ccc([C@@H]2CCCN2C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)o1 ZINC000096485468 463284194 /nfs/dbraw/zinc/28/41/94/463284194.db2.gz JYYDIBKQGFHOON-KRWDZBQOSA-N 2 2 348.491 2.461 40 0 EEABLP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cn1 ZINC000096046994 463150325 /nfs/dbraw/zinc/15/03/25/463150325.db2.gz IXYOJLFKNKBMCE-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)cn1 ZINC000096046994 463150331 /nfs/dbraw/zinc/15/03/31/463150331.db2.gz IXYOJLFKNKBMCE-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)cn1 ZINC000096046994 463150336 /nfs/dbraw/zinc/15/03/36/463150336.db2.gz IXYOJLFKNKBMCE-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP Cn1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cn1 ZINC000096046994 463150339 /nfs/dbraw/zinc/15/03/39/463150339.db2.gz IXYOJLFKNKBMCE-LJQANCHMSA-N 2 2 325.460 2.303 40 0 EEABLP CC(C)[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000096185637 463198109 /nfs/dbraw/zinc/19/81/09/463198109.db2.gz CSMBCEZSPCSAGC-IKGGRYGDSA-N 2 2 326.448 2.051 40 0 EEABLP CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]21 ZINC000096185637 463198113 /nfs/dbraw/zinc/19/81/13/463198113.db2.gz CSMBCEZSPCSAGC-IKGGRYGDSA-N 2 2 326.448 2.051 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188328 463200107 /nfs/dbraw/zinc/20/01/07/463200107.db2.gz JMUDSRIKSZJCFD-OAHLLOKOSA-N 2 2 346.500 2.486 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)Cc2cccs2)C1 ZINC000096188328 463200113 /nfs/dbraw/zinc/20/01/13/463200113.db2.gz JMUDSRIKSZJCFD-OAHLLOKOSA-N 2 2 346.500 2.486 40 0 EEABLP C[C@@H](CCn1cncn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000096477491 463281445 /nfs/dbraw/zinc/28/14/45/463281445.db2.gz APALFOYIULYOSU-INIZCTEOSA-N 2 2 337.537 2.398 40 0 EEABLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000080114155 463283808 /nfs/dbraw/zinc/28/38/08/463283808.db2.gz MSWFHTKQORVWDB-NVXWUHKLSA-N 2 2 341.459 2.272 40 0 EEABLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1Cc1ccccc1 ZINC000080114155 463283810 /nfs/dbraw/zinc/28/38/10/463283810.db2.gz MSWFHTKQORVWDB-NVXWUHKLSA-N 2 2 341.459 2.272 40 0 EEABLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)[nH+]c12 ZINC000096491686 463287298 /nfs/dbraw/zinc/28/72/98/463287298.db2.gz AYSWSKFUXZGFIL-JKSUJKDBSA-N 2 2 335.473 2.131 40 0 EEABLP O=C(Cc1cccc(F)c1)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247882627 464712528 /nfs/dbraw/zinc/71/25/28/464712528.db2.gz WESBZULWEBIVTE-SFHVURJKSA-N 2 2 342.418 2.244 40 0 EEABLP CC(C)CC[NH+]1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381677 469474766 /nfs/dbraw/zinc/47/47/66/469474766.db2.gz KYHFEOHNPBFNDA-HXUWFJFHSA-N 2 2 343.515 2.304 40 0 biogenic,in-vitro EEABLP CC(C)CC[NH+]1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381677 469474773 /nfs/dbraw/zinc/47/47/73/469474773.db2.gz KYHFEOHNPBFNDA-HXUWFJFHSA-N 2 2 343.515 2.304 40 0 biogenic,in-vitro EEABLP Cc1[nH]c(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)c[nH+]1 ZINC000108525796 204265710 /nfs/dbraw/zinc/26/57/10/204265710.db2.gz VBQYDGILRROJHV-GDBMZVCRSA-N 2 2 338.402 2.188 40 0 EEABLP Cc1[nH]c(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)c[nH+]1 ZINC000108525796 204265713 /nfs/dbraw/zinc/26/57/13/204265713.db2.gz VBQYDGILRROJHV-GDBMZVCRSA-N 2 2 338.402 2.188 40 0 EEABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2c(C)noc2C)C1 ZINC000096066909 284735200 /nfs/dbraw/zinc/73/52/00/284735200.db2.gz IXBCRSMUDJHNFT-MRXNPFEDSA-N 2 2 331.464 2.462 40 0 EEABLP Cn1nncc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447473 218391602 /nfs/dbraw/zinc/39/16/02/218391602.db2.gz XOPYNWXSWRWJJP-BLLLJJGKSA-N 2 2 337.830 2.390 40 0 EEABLP Cn1nncc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447473 218391604 /nfs/dbraw/zinc/39/16/04/218391604.db2.gz XOPYNWXSWRWJJP-BLLLJJGKSA-N 2 2 337.830 2.390 40 0 EEABLP c1csc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052056 463154229 /nfs/dbraw/zinc/15/42/29/463154229.db2.gz ZCMOBQWQDCUIIU-NVXWUHKLSA-N 2 2 333.457 2.252 40 0 EEABLP c1csc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)c1 ZINC000096052056 463154233 /nfs/dbraw/zinc/15/42/33/463154233.db2.gz ZCMOBQWQDCUIIU-NVXWUHKLSA-N 2 2 333.457 2.252 40 0 EEABLP c1cc2[nH+]ccc(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)c2s1 ZINC000096427303 463256951 /nfs/dbraw/zinc/25/69/51/463256951.db2.gz VRONYHFOEHQXPG-BBRMVZONSA-N 2 2 333.457 2.446 40 0 EEABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378587 203210032 /nfs/dbraw/zinc/21/00/32/203210032.db2.gz GYMGAEHNDLWMSU-OAHLLOKOSA-N 2 2 342.447 2.011 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072379199 203210252 /nfs/dbraw/zinc/21/02/52/203210252.db2.gz HACBVMMOVMEHPG-OAHLLOKOSA-N 2 2 327.432 2.055 40 0 EEABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072379199 203210256 /nfs/dbraw/zinc/21/02/56/203210256.db2.gz HACBVMMOVMEHPG-OAHLLOKOSA-N 2 2 327.432 2.055 40 0 EEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)c[nH+]1 ZINC000257239246 244238915 /nfs/dbraw/zinc/23/89/15/244238915.db2.gz HOOJQQMRZLJOTP-ZDUSSCGKSA-N 2 2 326.429 2.498 40 0 EEABLP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4cscn4)C3)n2)c[nH+]1 ZINC000257239246 244238919 /nfs/dbraw/zinc/23/89/19/244238919.db2.gz HOOJQQMRZLJOTP-ZDUSSCGKSA-N 2 2 326.429 2.498 40 0 EEABLP Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257345098 463788062 /nfs/dbraw/zinc/78/80/62/463788062.db2.gz ZZZIDVRQVJFEFH-KRWDZBQOSA-N 2 2 326.448 2.406 40 0 EEABLP Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257345098 463788069 /nfs/dbraw/zinc/78/80/69/463788069.db2.gz ZZZIDVRQVJFEFH-KRWDZBQOSA-N 2 2 326.448 2.406 40 0 EEABLP COc1ccc(CNc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228938993 464192899 /nfs/dbraw/zinc/19/28/99/464192899.db2.gz KVQJQEVSDUAMMP-UHFFFAOYSA-N 2 2 338.415 2.372 40 0 EEABLP c1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000241439901 464451669 /nfs/dbraw/zinc/45/16/69/464451669.db2.gz NNHHZNWVAHCJGK-HNNXBMFYSA-N 2 2 331.464 2.211 40 0 EEABLP c1nc(NCC2CC2)cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000241439901 464451672 /nfs/dbraw/zinc/45/16/72/464451672.db2.gz NNHHZNWVAHCJGK-HNNXBMFYSA-N 2 2 331.464 2.211 40 0 EEABLP c1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc(NCC2CC2)[nH+]1 ZINC000241439902 464451982 /nfs/dbraw/zinc/45/19/82/464451982.db2.gz NNHHZNWVAHCJGK-OAHLLOKOSA-N 2 2 331.464 2.211 40 0 EEABLP c1nc(NCC2CC2)cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000241439902 464451989 /nfs/dbraw/zinc/45/19/89/464451989.db2.gz NNHHZNWVAHCJGK-OAHLLOKOSA-N 2 2 331.464 2.211 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257247307 244260346 /nfs/dbraw/zinc/26/03/46/244260346.db2.gz IYJKEHPHLBPWQJ-OAHLLOKOSA-N 2 2 327.432 2.016 40 0 EEABLP c1nc2c(ncnc2NC[NH+]2CCCCC2)n1C[NH+]1CCCCC1 ZINC000000077342 206211434 /nfs/dbraw/zinc/21/14/34/206211434.db2.gz PJYWBWSJHHIQKO-UHFFFAOYSA-N 2 2 329.452 2.125 40 0 EEABLP Cc1noc(C)c1CN1Cc2[nH+]ccn2C[C@@H](C[N@@H+](C)C(C)C)C1 ZINC000096066925 463164146 /nfs/dbraw/zinc/16/41/46/463164146.db2.gz UVDSQPOCTLCEKZ-INIZCTEOSA-N 2 2 331.464 2.460 40 0 EEABLP Cc1noc(C)c1CN1Cc2[nH+]ccn2C[C@@H](C[N@H+](C)C(C)C)C1 ZINC000096066925 463164153 /nfs/dbraw/zinc/16/41/53/463164153.db2.gz UVDSQPOCTLCEKZ-INIZCTEOSA-N 2 2 331.464 2.460 40 0 EEABLP Cc1ccc(C[N@@H+]2CCc3c(COCC[NH+](C)C)nn(C)c3C2)s1 ZINC000096084997 463170830 /nfs/dbraw/zinc/17/08/30/463170830.db2.gz YFWRCHOKJHVMCN-UHFFFAOYSA-N 2 2 348.516 2.427 40 0 EEABLP Cc1ccc(C[N@H+]2CCc3c(COCC[NH+](C)C)nn(C)c3C2)s1 ZINC000096084997 463170834 /nfs/dbraw/zinc/17/08/34/463170834.db2.gz YFWRCHOKJHVMCN-UHFFFAOYSA-N 2 2 348.516 2.427 40 0 EEABLP Cc1cn(-c2cc[nH+]c([C@H]3CCCN(S(C)(=O)=O)C3)c2)c(C)[nH+]1 ZINC000257287697 463763581 /nfs/dbraw/zinc/76/35/81/463763581.db2.gz PRCZJQNJPBITIP-AWEZNQCLSA-N 2 2 334.445 2.023 40 0 EEABLP Cc1[nH+]c(CN(C)CC(C)(C)C[NH+]2CCOCC2)c2ccccn12 ZINC000585141471 468989725 /nfs/dbraw/zinc/98/97/25/468989725.db2.gz WLRNDWIERKKYEZ-UHFFFAOYSA-N 2 2 330.476 2.433 40 0 EEABLP COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710768 202016460 /nfs/dbraw/zinc/01/64/60/202016460.db2.gz FPLVPJOLYNLDKJ-INIZCTEOSA-N 2 2 341.459 2.078 40 0 EEABLP COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019710768 202016464 /nfs/dbraw/zinc/01/64/64/202016464.db2.gz FPLVPJOLYNLDKJ-INIZCTEOSA-N 2 2 341.459 2.078 40 0 EEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000023247898 212363279 /nfs/dbraw/zinc/36/32/79/212363279.db2.gz KJAPVNPSTKAHPB-OAHLLOKOSA-N 2 2 345.443 2.119 40 0 EEABLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000023247898 212363282 /nfs/dbraw/zinc/36/32/82/212363282.db2.gz KJAPVNPSTKAHPB-OAHLLOKOSA-N 2 2 345.443 2.119 40 0 EEABLP Cc1ccc(C[N@H+]2CCc3[nH+]cc(CNC(=O)C4CCC4)n3CC2)o1 ZINC000096197062 463202581 /nfs/dbraw/zinc/20/25/81/463202581.db2.gz HNNZHECIQMZFTJ-UHFFFAOYSA-N 2 2 342.443 2.259 40 0 EEABLP Cc1ccc(C[N@@H+]2CCc3[nH+]cc(CNC(=O)C4CCC4)n3CC2)o1 ZINC000096197062 463202587 /nfs/dbraw/zinc/20/25/87/463202587.db2.gz HNNZHECIQMZFTJ-UHFFFAOYSA-N 2 2 342.443 2.259 40 0 EEABLP C[N@@H+](Cc1cc(=O)c(O)co1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000096441739 463266906 /nfs/dbraw/zinc/26/69/06/463266906.db2.gz PLKBQBDPHNGZHU-MRXNPFEDSA-N 2 2 328.412 2.299 40 0 EEABLP C[N@H+](Cc1cc(=O)c(O)co1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000096441739 463266908 /nfs/dbraw/zinc/26/69/08/463266908.db2.gz PLKBQBDPHNGZHU-MRXNPFEDSA-N 2 2 328.412 2.299 40 0 EEABLP C[NH+](Cc1cc(=O)c(O)co1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096441739 463266913 /nfs/dbraw/zinc/26/69/13/463266913.db2.gz PLKBQBDPHNGZHU-MRXNPFEDSA-N 2 2 328.412 2.299 40 0 EEABLP C[NH+](Cc1cc(=O)c(O)co1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000096441739 463266917 /nfs/dbraw/zinc/26/69/17/463266917.db2.gz PLKBQBDPHNGZHU-MRXNPFEDSA-N 2 2 328.412 2.299 40 0 EEABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cnccn3)C2)n1C ZINC000257229071 463758690 /nfs/dbraw/zinc/75/86/90/463758690.db2.gz FWPCTQOBIJNLGJ-HNNXBMFYSA-N 2 2 349.442 2.355 40 0 EEABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cnccn3)C2)n1C ZINC000257229071 463758695 /nfs/dbraw/zinc/75/86/95/463758695.db2.gz FWPCTQOBIJNLGJ-HNNXBMFYSA-N 2 2 349.442 2.355 40 0 EEABLP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000257202841 244122986 /nfs/dbraw/zinc/12/29/86/244122986.db2.gz ANQVLACVJKHVKQ-KRWDZBQOSA-N 2 2 342.443 2.017 40 0 EEABLP Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000095421409 218363597 /nfs/dbraw/zinc/36/35/97/218363597.db2.gz YCIXQDFCTNTDFT-MRXNPFEDSA-N 2 2 342.443 2.373 40 0 EEABLP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000333407947 312142929 /nfs/dbraw/zinc/14/29/29/312142929.db2.gz ZMDBFGURFRMULG-RDJZCZTQSA-N 2 2 343.431 2.085 40 0 EEABLP [NH3+]CC[N@@H+]1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391028 463210800 /nfs/dbraw/zinc/21/08/00/463210800.db2.gz AJZVLDXTSUNOPO-KRWDZBQOSA-N 2 2 331.460 2.458 40 0 EEABLP [NH3+]CC[N@H+]1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391028 463210804 /nfs/dbraw/zinc/21/08/04/463210804.db2.gz AJZVLDXTSUNOPO-KRWDZBQOSA-N 2 2 331.460 2.458 40 0 EEABLP C[N@H+](CCc1ccccc1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257305064 463770751 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346.475 2.426 40 0 EEABLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095429622 218372903 /nfs/dbraw/zinc/37/29/03/218372903.db2.gz HHTKKTCHXFIKJL-LZWOXQAQSA-N 2 2 346.475 2.426 40 0 EEABLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000175777933 207159117 /nfs/dbraw/zinc/15/91/17/207159117.db2.gz ZAWLXCPLRJIFGI-INIZCTEOSA-N 2 2 342.447 2.027 40 0 EEABLP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000333407943 312142876 /nfs/dbraw/zinc/14/28/76/312142876.db2.gz ZMDBFGURFRMULG-DOTOQJQBSA-N 2 2 343.431 2.085 40 0 EEABLP C[NH+]1CCN(c2ncc(-c3[nH]cc[nH+]3)c(-c3ccc(F)cc3)n2)CC1 ZINC000012221365 462846451 /nfs/dbraw/zinc/84/64/51/462846451.db2.gz JGSQIRLENFOFPW-UHFFFAOYSA-N 2 2 338.390 2.425 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccccc1 ZINC000022075084 463045581 /nfs/dbraw/zinc/04/55/81/463045581.db2.gz IAPMJXUEIIJCEC-INIZCTEOSA-N 2 2 344.455 2.334 40 0 EEABLP Cc1cccn2cc(CC[NH2+][C@H]3CCCC[C@@H]3S(C)(=O)=O)[nH+]c12 ZINC000096491684 463287272 /nfs/dbraw/zinc/28/72/72/463287272.db2.gz AYSWSKFUXZGFIL-HOTGVXAUSA-N 2 2 335.473 2.131 40 0 EEABLP Nc1cc(CC[C@@H]2C[N@H+](CCOc3ccccc3)CCO2)cc[nH+]1 ZINC000257337800 463783872 /nfs/dbraw/zinc/78/38/72/463783872.db2.gz YULSXCVZPJGRBC-GOSISDBHSA-N 2 2 327.428 2.376 40 0 EEABLP Nc1cc(CC[C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)cc[nH+]1 ZINC000257337800 463783880 /nfs/dbraw/zinc/78/38/80/463783880.db2.gz YULSXCVZPJGRBC-GOSISDBHSA-N 2 2 327.428 2.376 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1)C2 ZINC000195561612 464077973 /nfs/dbraw/zinc/07/79/73/464077973.db2.gz DGRXODPOKJJDIO-JKSUJKDBSA-N 2 2 347.484 2.267 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C ZINC000252570846 464982338 /nfs/dbraw/zinc/98/23/38/464982338.db2.gz XKJAKVLUUFGBRG-XOYOTBSWSA-N 2 2 340.475 2.161 40 0 EEABLP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1nnnn1C ZINC000252570846 464982343 /nfs/dbraw/zinc/98/23/43/464982343.db2.gz XKJAKVLUUFGBRG-XOYOTBSWSA-N 2 2 340.475 2.161 40 0 EEABLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193902 243390878 /nfs/dbraw/zinc/39/08/78/243390878.db2.gz OJMPNOPMCFXEOE-KGLIPLIRSA-N 2 2 331.420 2.406 40 0 EEABLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193902 243390888 /nfs/dbraw/zinc/39/08/88/243390888.db2.gz OJMPNOPMCFXEOE-KGLIPLIRSA-N 2 2 331.420 2.406 40 0 EEABLP C[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)n1cc[nH+]c1 ZINC000078774624 217118220 /nfs/dbraw/zinc/11/82/20/217118220.db2.gz KLWYZSKWARCBAO-AWEZNQCLSA-N 2 2 339.399 2.375 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)o1 ZINC000096062323 463161406 /nfs/dbraw/zinc/16/14/06/463161406.db2.gz PLGWTUIXMFUEFM-IBGZPJMESA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[NH+](C4CCOCC4)C3)C2)o1 ZINC000096062323 463161410 /nfs/dbraw/zinc/16/14/10/463161410.db2.gz PLGWTUIXMFUEFM-IBGZPJMESA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@@H+](C4CCOCC4)C3)C2)o1 ZINC000096062323 463161419 /nfs/dbraw/zinc/16/14/19/463161419.db2.gz PLGWTUIXMFUEFM-IBGZPJMESA-N 2 2 334.460 2.291 40 0 EEABLP Cc1ccc(C[NH+]2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)o1 ZINC000096062323 463161424 /nfs/dbraw/zinc/16/14/24/463161424.db2.gz PLGWTUIXMFUEFM-IBGZPJMESA-N 2 2 334.460 2.291 40 0 EEABLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC000096503171 463292289 /nfs/dbraw/zinc/29/22/89/463292289.db2.gz MVHKOOXHWHXKAK-CQSZACIVSA-N 2 2 347.488 2.113 40 0 EEABLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099720 468968824 /nfs/dbraw/zinc/96/88/24/468968824.db2.gz ZOVOFPDWRLTYIH-LJQANCHMSA-N 2 2 330.476 2.425 40 0 EEABLP Cn1c[nH+]cc1C[N@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099720 468968830 /nfs/dbraw/zinc/96/88/30/468968830.db2.gz ZOVOFPDWRLTYIH-LJQANCHMSA-N 2 2 330.476 2.425 40 0 EEABLP Cn1c[nH+]c(CNC(=O)C2(Cc3cccc(F)c3)CC[NH+](C)CC2)c1 ZINC000257248760 244263134 /nfs/dbraw/zinc/26/31/34/244263134.db2.gz JFBWLCQFLVSGKL-UHFFFAOYSA-N 2 2 344.434 2.130 40 0 EEABLP C[N@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+]([C@H]1CCOC1)C2 ZINC000107211430 463561421 /nfs/dbraw/zinc/56/14/21/463561421.db2.gz IDGHYPXJCVGYNL-IBGZPJMESA-N 2 2 338.455 2.256 40 0 EEABLP C[N@@H+](Cc1cccnc1)Cc1cncc2c1CC[NH+]([C@H]1CCOC1)C2 ZINC000107211430 463561424 /nfs/dbraw/zinc/56/14/24/463561424.db2.gz IDGHYPXJCVGYNL-IBGZPJMESA-N 2 2 338.455 2.256 40 0 EEABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@@H+]([C@H]1CCOC1)C2 ZINC000107211430 463561430 /nfs/dbraw/zinc/56/14/30/463561430.db2.gz IDGHYPXJCVGYNL-IBGZPJMESA-N 2 2 338.455 2.256 40 0 EEABLP C[NH+](Cc1cccnc1)Cc1cncc2c1CC[N@H+]([C@H]1CCOC1)C2 ZINC000107211430 463561433 /nfs/dbraw/zinc/56/14/33/463561433.db2.gz IDGHYPXJCVGYNL-IBGZPJMESA-N 2 2 338.455 2.256 40 0 EEABLP Cc1cn(-c2cc[nH+]c([C@@H]3CCCN(S(C)(=O)=O)C3)c2)c(C)[nH+]1 ZINC000257287698 463763655 /nfs/dbraw/zinc/76/36/55/463763655.db2.gz PRCZJQNJPBITIP-CQSZACIVSA-N 2 2 334.445 2.023 40 0 EEABLP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[NH+]2CCCCC2)CO3)nc[nH+]1 ZINC000248084384 464727766 /nfs/dbraw/zinc/72/77/66/464727766.db2.gz DJBCJSWLZHCHNU-INIZCTEOSA-N 2 2 345.491 2.014 40 0 EEABLP CN(C)c1cc(N2CC3(C2)CC[C@@H](C[NH+]2CCCCC2)CO3)[nH+]cn1 ZINC000248084384 464727771 /nfs/dbraw/zinc/72/77/71/464727771.db2.gz DJBCJSWLZHCHNU-INIZCTEOSA-N 2 2 345.491 2.014 40 0 EEABLP COc1cc(C[N@H+]2Cc3ccnn3[C@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248102369 464729335 /nfs/dbraw/zinc/72/93/35/464729335.db2.gz HVOYGVPLRAPIPC-QGZVFWFLSA-N 2 2 344.459 2.409 40 0 EEABLP COc1cc(C[N@@H+]2Cc3ccnn3[C@H](CC[NH+](C)C)C2)cc(OC)c1 ZINC000248102369 464729342 /nfs/dbraw/zinc/72/93/42/464729342.db2.gz HVOYGVPLRAPIPC-QGZVFWFLSA-N 2 2 344.459 2.409 40 0 EEABLP Cc1cc(CCC(=O)NCc2[nH+]ccn2C)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072360569 216167234 /nfs/dbraw/zinc/16/72/34/216167234.db2.gz FHNKHKSJEQHABH-QGZVFWFLSA-N 2 2 341.459 2.139 40 0 EEABLP Cc1cc(CCC(=O)NCc2[nH+]ccn2C)cc([C@H]2CCC[N@H+]2C)n1 ZINC000072360569 216167237 /nfs/dbraw/zinc/16/72/37/216167237.db2.gz FHNKHKSJEQHABH-QGZVFWFLSA-N 2 2 341.459 2.139 40 0 EEABLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193919 243388725 /nfs/dbraw/zinc/38/87/25/243388725.db2.gz OJMPNOPMCFXEOE-ZIAGYGMSSA-N 2 2 331.420 2.406 40 0 EEABLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)no2)C1 ZINC000247193919 243388727 /nfs/dbraw/zinc/38/87/27/243388727.db2.gz OJMPNOPMCFXEOE-ZIAGYGMSSA-N 2 2 331.420 2.406 40 0 EEABLP O[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@]12CCC[N@@H+]2CCc1ccccc1 ZINC000257236659 244229875 /nfs/dbraw/zinc/22/98/75/244229875.db2.gz HDCVFIVMTSXCOI-ICSRJNTNSA-N 2 2 340.471 2.054 40 0 EEABLP O[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@]12CCC[N@H+]2CCc1ccccc1 ZINC000257236659 244229878 /nfs/dbraw/zinc/22/98/78/244229878.db2.gz HDCVFIVMTSXCOI-ICSRJNTNSA-N 2 2 340.471 2.054 40 0 EEABLP Cc1c(C[N@@H+]2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cnn1C ZINC000257275502 244392104 /nfs/dbraw/zinc/39/21/04/244392104.db2.gz NPRCEYPGKSPHIE-SFHVURJKSA-N 2 2 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ZINC000079351842 217212422 /nfs/dbraw/zinc/21/24/22/217212422.db2.gz NQOCCJMCQPITBV-QGZVFWFLSA-N 2 2 344.434 2.441 40 0 EEABLP COc1ccc(OC)c(C[NH+]2CCC(O)(Cn3cc[nH+]c3C)CC2)c1 ZINC000019287962 463016222 /nfs/dbraw/zinc/01/62/22/463016222.db2.gz RMZGNMHPOKGBGW-UHFFFAOYSA-N 2 2 345.443 2.236 40 0 EEABLP Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096057929 463160092 /nfs/dbraw/zinc/16/00/92/463160092.db2.gz UYXCZMYSDNNIDQ-IPMKNSEASA-N 2 2 349.475 2.136 40 0 EEABLP Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21 ZINC000096057929 463160098 /nfs/dbraw/zinc/16/00/98/463160098.db2.gz UYXCZMYSDNNIDQ-IPMKNSEASA-N 2 2 349.475 2.136 40 0 EEABLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446533 463270886 /nfs/dbraw/zinc/27/08/86/463270886.db2.gz SKHCVBCOFDGGTC-MRXNPFEDSA-N 2 2 330.407 2.230 40 0 EEABLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446533 463270888 /nfs/dbraw/zinc/27/08/88/463270888.db2.gz SKHCVBCOFDGGTC-MRXNPFEDSA-N 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c1coc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC000096185658 463197704 /nfs/dbraw/zinc/19/77/04/463197704.db2.gz VMKHYHMBOGAVJJ-AOIWGVFYSA-N 2 2 341.459 2.246 40 0 EEABLP c1coc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC000096185658 463197708 /nfs/dbraw/zinc/19/77/08/463197708.db2.gz VMKHYHMBOGAVJJ-AOIWGVFYSA-N 2 2 341.459 2.246 40 0 EEABLP c1coc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)c1 ZINC000096185658 463197712 /nfs/dbraw/zinc/19/77/12/463197712.db2.gz VMKHYHMBOGAVJJ-AOIWGVFYSA-N 2 2 341.459 2.246 40 0 EEABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096196885 463202701 /nfs/dbraw/zinc/20/27/01/463202701.db2.gz IBWAICLZTUGFCH-UHFFFAOYSA-N 2 2 325.460 2.322 40 0 EEABLP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1ccccn1)CC2 ZINC000096196885 463202703 /nfs/dbraw/zinc/20/27/03/463202703.db2.gz IBWAICLZTUGFCH-UHFFFAOYSA-N 2 2 325.460 2.322 40 0 EEABLP O=C(NCc1c[nH+]c2n1CC[N@@H+](Cc1ccsc1)CC2)C1CCC1 ZINC000096197060 463203344 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Cn1cc[nH+]c1CN1CC[C@@]2(C1)COCC[N@H+](Cc1cccs1)C2 ZINC000096202068 463207670 /nfs/dbraw/zinc/20/76/70/463207670.db2.gz OYURLGJTLZEYGI-SFHVURJKSA-N 2 2 346.500 2.206 40 0 EEABLP Cn1cc[nH+]c1CN1CC[C@@]2(C1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096202068 463207672 /nfs/dbraw/zinc/20/76/72/463207672.db2.gz OYURLGJTLZEYGI-SFHVURJKSA-N 2 2 346.500 2.206 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257251280 244270574 /nfs/dbraw/zinc/27/05/74/244270574.db2.gz JQCFBKAWBCITKI-MRXNPFEDSA-N 2 2 341.459 2.313 40 0 EEABLP c1csc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccn2)CCO3)n1 ZINC000096158836 463191262 /nfs/dbraw/zinc/19/12/62/463191262.db2.gz ZXXHDRGMZWWPRD-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP c1csc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccn2)CCO3)n1 ZINC000096158836 463191269 /nfs/dbraw/zinc/19/12/69/463191269.db2.gz ZXXHDRGMZWWPRD-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP Cc1cn2c(cccc2[C@@H]2CCC[N@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257336870 463784435 /nfs/dbraw/zinc/78/44/35/463784435.db2.gz YQIYQVJWYJROKC-MRXNPFEDSA-N 2 2 329.444 2.364 40 0 EEABLP Cc1cn2c(cccc2[C@@H]2CCC[N@@H+](CC3(O)CCOCC3)C2)[nH+]1 ZINC000257336870 463784438 /nfs/dbraw/zinc/78/44/38/463784438.db2.gz YQIYQVJWYJROKC-MRXNPFEDSA-N 2 2 329.444 2.364 40 0 EEABLP c1ccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000252503090 464972622 /nfs/dbraw/zinc/97/26/22/464972622.db2.gz UYFMRHRPVQDOOA-FQEVSTJZSA-N 2 2 329.488 2.452 40 0 EEABLP Cc1nc[nH]c1C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327161 216152739 /nfs/dbraw/zinc/15/27/39/216152739.db2.gz ZKWURXBXRXZAMM-UHFFFAOYSA-N 2 2 336.443 2.198 40 0 EEABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072378586 216181895 /nfs/dbraw/zinc/18/18/95/216181895.db2.gz GYMGAEHNDLWMSU-HNNXBMFYSA-N 2 2 342.447 2.011 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccccc1F ZINC000022075284 212276907 /nfs/dbraw/zinc/27/69/07/212276907.db2.gz NMYWTKXWSVGNMH-UHFFFAOYSA-N 2 2 348.418 2.085 40 0 EEABLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@H]3S(C)(=O)=O)[nH+]c12 ZINC000096491685 463286619 /nfs/dbraw/zinc/28/66/19/463286619.db2.gz AYSWSKFUXZGFIL-HZPDHXFCSA-N 2 2 335.473 2.131 40 0 EEABLP Cc1nc2ccc(C(=O)NCC3([NH+](C)C)CC[NH+](C)CC3)cc2s1 ZINC000043277975 463631441 /nfs/dbraw/zinc/63/14/41/463631441.db2.gz NOIAJMBFDALETM-UHFFFAOYSA-N 2 2 346.500 2.361 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2cnn(C)c2)C3)nc[nH+]1 ZINC000257295159 463766359 /nfs/dbraw/zinc/76/63/59/463766359.db2.gz QXFDEVAGWBJURM-UHFFFAOYSA-N 2 2 326.448 2.009 40 0 EEABLP Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2cnn(C)c2)C3)nc[nH+]1 ZINC000257295159 463766362 /nfs/dbraw/zinc/76/63/62/463766362.db2.gz QXFDEVAGWBJURM-UHFFFAOYSA-N 2 2 326.448 2.009 40 0 EEABLP Cc1c(C[N@@H+]2CCC[C@H]2c2cncc(C[NH+]3CCCC3)n2)cnn1C ZINC000257305445 463770088 /nfs/dbraw/zinc/77/00/88/463770088.db2.gz SPZSQJJDPUIACE-IBGZPJMESA-N 2 2 340.475 2.451 40 0 EEABLP Cc1c(C[N@H+]2CCC[C@H]2c2cncc(C[NH+]3CCCC3)n2)cnn1C ZINC000257305445 463770093 /nfs/dbraw/zinc/77/00/93/463770093.db2.gz SPZSQJJDPUIACE-IBGZPJMESA-N 2 2 340.475 2.451 40 0 EEABLP C[NH+](C)Cc1ccnc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000257229229 536050124 /nfs/dbraw/zinc/05/01/24/536050124.db2.gz FXGVSKZIPHZWGY-SFHVURJKSA-N 2 2 326.444 2.154 40 0 EEABLP C[NH+](C)Cc1ccnc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000257229229 536050130 /nfs/dbraw/zinc/05/01/30/536050130.db2.gz FXGVSKZIPHZWGY-SFHVURJKSA-N 2 2 326.444 2.154 40 0 EEABLP Cc1nnc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1C ZINC000189955417 237436569 /nfs/dbraw/zinc/43/65/69/237436569.db2.gz MPTYZCMSSRRXMF-HUUCEWRRSA-N 2 2 327.476 2.370 40 0 EEABLP Cc1[nH+]c2ccccn2c1CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257209501 244146389 /nfs/dbraw/zinc/14/63/89/244146389.db2.gz BQQXSABFOSUYGH-GOSISDBHSA-N 2 2 334.423 2.358 40 0 EEABLP CNc1cc(CC[C@H]2C[N@H+](Cc3cnc(C)cn3)CCO2)cc[nH+]1 ZINC000257229200 244207204 /nfs/dbraw/zinc/20/72/04/244207204.db2.gz FXDDJCAJJMVXSW-KRWDZBQOSA-N 2 2 327.432 2.055 40 0 EEABLP CNc1cc(CC[C@H]2C[N@@H+](Cc3cnc(C)cn3)CCO2)cc[nH+]1 ZINC000257229200 244207207 /nfs/dbraw/zinc/20/72/07/244207207.db2.gz FXDDJCAJJMVXSW-KRWDZBQOSA-N 2 2 327.432 2.055 40 0 EEABLP Cc1ccnc(NC(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1 ZINC000096493097 463287952 /nfs/dbraw/zinc/28/79/52/463287952.db2.gz YXLPRBLZXWQCIM-UHFFFAOYSA-N 2 2 327.432 2.327 40 0 EEABLP CC(C)n1cc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cn1 ZINC000247988382 464720717 /nfs/dbraw/zinc/72/07/17/464720717.db2.gz JJEMPXAESBCKHG-RCCFBDPRSA-N 2 2 341.459 2.418 40 0 EEABLP CC(C)n1cc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cn1 ZINC000247988382 464720722 /nfs/dbraw/zinc/72/07/22/464720722.db2.gz JJEMPXAESBCKHG-RCCFBDPRSA-N 2 2 341.459 2.418 40 0 EEABLP Cn1cncc1C[N@@H+]1CCC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096073730 463167168 /nfs/dbraw/zinc/16/71/68/463167168.db2.gz LPSMTTFQSYKDPX-YJBOKZPZSA-N 2 2 327.432 2.051 40 0 EEABLP Cn1cncc1C[N@H+]1CCC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096073730 463167175 /nfs/dbraw/zinc/16/71/75/463167175.db2.gz LPSMTTFQSYKDPX-YJBOKZPZSA-N 2 2 327.432 2.051 40 0 EEABLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096444046 463269890 /nfs/dbraw/zinc/26/98/90/463269890.db2.gz WYUGOOUOZJZIOG-OAHLLOKOSA-N 2 2 330.436 2.284 40 0 EEABLP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccco1 ZINC000044871385 463697072 /nfs/dbraw/zinc/69/70/72/463697072.db2.gz JEZSULIUWCWYRV-KRWDZBQOSA-N 2 2 327.428 2.102 40 0 EEABLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccco1 ZINC000044871385 463697074 /nfs/dbraw/zinc/69/70/74/463697074.db2.gz JEZSULIUWCWYRV-KRWDZBQOSA-N 2 2 327.428 2.102 40 0 EEABLP C[NH+](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000044871385 463697078 /nfs/dbraw/zinc/69/70/78/463697078.db2.gz JEZSULIUWCWYRV-KRWDZBQOSA-N 2 2 327.428 2.102 40 0 EEABLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccco1 ZINC000044871385 463697079 /nfs/dbraw/zinc/69/70/79/463697079.db2.gz JEZSULIUWCWYRV-KRWDZBQOSA-N 2 2 327.428 2.102 40 0 EEABLP Cc1c(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257303570 463770836 /nfs/dbraw/zinc/77/08/36/463770836.db2.gz SHSWSUIQTWDBDZ-GOSISDBHSA-N 2 2 343.475 2.023 40 0 EEABLP Cc1c(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257303570 463770841 /nfs/dbraw/zinc/77/08/41/463770841.db2.gz SHSWSUIQTWDBDZ-GOSISDBHSA-N 2 2 343.475 2.023 40 0 EEABLP CCCn1cc[nH+]c1CN1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257215690 244166703 /nfs/dbraw/zinc/16/67/03/244166703.db2.gz CRFVKZKWZPLZPA-INIZCTEOSA-N 2 2 328.464 2.482 40 0 EEABLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257231807 244216140 /nfs/dbraw/zinc/21/61/40/244216140.db2.gz GIHBRESHGFVRBI-INIZCTEOSA-N 2 2 327.432 2.186 40 0 EEABLP Cc1cc(N2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)nc[nH+]1 ZINC000257272888 244383712 /nfs/dbraw/zinc/38/37/12/244383712.db2.gz NEFQFCMDYPHLBS-MRXNPFEDSA-N 2 2 327.432 2.084 40 0 EEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000022075533 463044939 /nfs/dbraw/zinc/04/49/39/463044939.db2.gz URQZGDXUJJZXMT-HNNXBMFYSA-N 2 2 332.419 2.465 40 0 EEABLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000096503107 463292574 /nfs/dbraw/zinc/29/25/74/463292574.db2.gz KDAKVUXMYPJRCJ-HNNXBMFYSA-N 2 2 347.488 2.423 40 0 EEABLP O[C@H]1CN(Cc2c[nH+]c[nH]2)CC[C@@]12CCC[N@@H+]2CCc1ccccc1 ZINC000257316003 463775101 /nfs/dbraw/zinc/77/51/01/463775101.db2.gz VDRZBRLIBUGYHL-PMACEKPBSA-N 2 2 340.471 2.054 40 0 EEABLP O[C@H]1CN(Cc2c[nH+]c[nH]2)CC[C@@]12CCC[N@H+]2CCc1ccccc1 ZINC000257316003 463775104 /nfs/dbraw/zinc/77/51/04/463775104.db2.gz VDRZBRLIBUGYHL-PMACEKPBSA-N 2 2 340.471 2.054 40 0 EEABLP O[C@H]1CN(Cc2c[nH]c[nH+]2)CC[C@@]12CCC[N@@H+]2CCc1ccccc1 ZINC000257316003 463775106 /nfs/dbraw/zinc/77/51/06/463775106.db2.gz VDRZBRLIBUGYHL-PMACEKPBSA-N 2 2 340.471 2.054 40 0 EEABLP O[C@H]1CN(Cc2c[nH]c[nH+]2)CC[C@@]12CCC[N@H+]2CCc1ccccc1 ZINC000257316003 463775109 /nfs/dbraw/zinc/77/51/09/463775109.db2.gz VDRZBRLIBUGYHL-PMACEKPBSA-N 2 2 340.471 2.054 40 0 EEABLP Cn1c2ccccc2[nH+]c1NCc1cccnc1N1CC[NH+](C)CC1 ZINC000241231173 464450474 /nfs/dbraw/zinc/45/04/74/464450474.db2.gz KSTXTIGZVLKEQQ-UHFFFAOYSA-N 2 2 336.443 2.332 40 0 EEABLP Cc1[nH+]cc(C[NH2+]C[C@H](C)N2CCOC[C@H]2C)n1-c1ccccc1 ZINC000247976942 464719498 /nfs/dbraw/zinc/71/94/98/464719498.db2.gz VNJSLQRABNJJMJ-JKSUJKDBSA-N 2 2 328.460 2.380 40 0 EEABLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257209235 244144302 /nfs/dbraw/zinc/14/43/02/244144302.db2.gz BPNLWXQCGBXTCX-PMACEKPBSA-N 2 2 340.471 2.022 40 0 EEABLP Cn1c[nH+]cc1CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)[C@@H](O)C1 ZINC000257209235 244144308 /nfs/dbraw/zinc/14/43/08/244144308.db2.gz BPNLWXQCGBXTCX-PMACEKPBSA-N 2 2 340.471 2.022 40 0 EEABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257229259 244206806 /nfs/dbraw/zinc/20/68/06/244206806.db2.gz FXJQAMOJMWAUNG-HZPDHXFCSA-N 2 2 326.444 2.335 40 0 EEABLP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257269079 244369054 /nfs/dbraw/zinc/36/90/54/244369054.db2.gz MOMBPTMCEIYQND-QGZVFWFLSA-N 2 2 328.464 2.226 40 0 EEABLP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257269079 244369062 /nfs/dbraw/zinc/36/90/62/244369062.db2.gz MOMBPTMCEIYQND-QGZVFWFLSA-N 2 2 328.464 2.226 40 0 EEABLP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)c1 ZINC000093017054 218186507 /nfs/dbraw/zinc/18/65/07/218186507.db2.gz DHASBNZUAWYGLA-IBGZPJMESA-N 2 2 340.471 2.417 40 0 EEABLP c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)c2)c1 ZINC000093017054 218186509 /nfs/dbraw/zinc/18/65/09/218186509.db2.gz DHASBNZUAWYGLA-IBGZPJMESA-N 2 2 340.471 2.417 40 0 EEABLP CC[NH+]1CCC(O)(c2csc(C[N@@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225422665 257845136 /nfs/dbraw/zinc/84/51/36/257845136.db2.gz UZWFIOPBMSCBEN-CQSZACIVSA-N 2 2 339.505 2.057 40 0 biogenic,in-vitro EEABLP CC[NH+]1CCC(O)(c2csc(C[N@H+]3CCC[C@@H]3COC)n2)CC1 ZINC000225422665 257845137 /nfs/dbraw/zinc/84/51/37/257845137.db2.gz UZWFIOPBMSCBEN-CQSZACIVSA-N 2 2 339.505 2.057 40 0 biogenic,in-vitro EEABLP Cc1ccc2c([nH+]1)N(CC[NH+](C)C)CCN(C(=O)c1ccco1)C2 ZINC000096069217 281137121 /nfs/dbraw/zinc/13/71/21/281137121.db2.gz IEXRHUGIXYUWSA-UHFFFAOYSA-N 2 2 328.416 2.007 40 0 EEABLP CCOc1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000096443354 463268663 /nfs/dbraw/zinc/26/86/63/463268663.db2.gz LPROCNOTXGUYLM-GOSISDBHSA-N 2 2 347.503 2.176 40 0 EEABLP CCOc1ccccc1OCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000096443354 463268667 /nfs/dbraw/zinc/26/86/67/463268667.db2.gz LPROCNOTXGUYLM-GOSISDBHSA-N 2 2 347.503 2.176 40 0 EEABLP O=C(NCCCn1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000042645615 463582912 /nfs/dbraw/zinc/58/29/12/463582912.db2.gz YKBVOYAIUDYLCS-UHFFFAOYSA-N 2 2 326.444 2.302 40 0 EEABLP CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257322091 463778619 /nfs/dbraw/zinc/77/86/19/463778619.db2.gz WENZQIAJODZCMK-QGZVFWFLSA-N 2 2 328.464 2.482 40 0 EEABLP CCCn1cc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cn1 ZINC000257322091 463778625 /nfs/dbraw/zinc/77/86/25/463778625.db2.gz WENZQIAJODZCMK-QGZVFWFLSA-N 2 2 328.464 2.482 40 0 EEABLP Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000095421410 218363256 /nfs/dbraw/zinc/36/32/56/218363256.db2.gz YCIXQDFCTNTDFT-INIZCTEOSA-N 2 2 342.443 2.373 40 0 EEABLP Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257345099 293146733 /nfs/dbraw/zinc/14/67/33/293146733.db2.gz ZZZIDVRQVJFEFH-QGZVFWFLSA-N 2 2 326.448 2.406 40 0 EEABLP Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257345099 293146734 /nfs/dbraw/zinc/14/67/34/293146734.db2.gz ZZZIDVRQVJFEFH-QGZVFWFLSA-N 2 2 326.448 2.406 40 0 EEABLP CC(C)[NH2+]CCN(C(=[NH2+])C(=[NH2+])N(CC[NH2+]C(C)C)C(C)C)C(C)C ZINC000005187780 462649417 /nfs/dbraw/zinc/64/94/17/462649417.db2.gz GIRLDBKGDGWDKJ-UHFFFAOYSA-N 4 2 340.560 2.358 40 0 EEABLP Nc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]c2ccccc12 ZINC000095449329 463087395 /nfs/dbraw/zinc/08/73/95/463087395.db2.gz QHHCMRFQOMGIHC-UHFFFAOYSA-N 2 2 341.459 2.151 40 0 EEABLP C[NH+](C)CC[C@H](Nc1nc[nH+]c2c1NC(=O)CN2)c1ccc(F)cc1 ZINC000041121567 463468606 /nfs/dbraw/zinc/46/86/06/463468606.db2.gz DPKOSCQBMZNTOV-ZDUSSCGKSA-N 2 2 344.394 2.085 40 0 EEABLP C[NH+](C)CC[C@H](Nc1[nH+]cnc2c1NC(=O)CN2)c1ccc(F)cc1 ZINC000041121567 463468611 /nfs/dbraw/zinc/46/86/11/463468611.db2.gz DPKOSCQBMZNTOV-ZDUSSCGKSA-N 2 2 344.394 2.085 40 0 EEABLP O[C@@]1(C[NH2+]Cc2ccc(OCCF)cc2)CCN(c2cccc[nH+]2)C1 ZINC000585271206 468997458 /nfs/dbraw/zinc/99/74/58/468997458.db2.gz UADVQTPWLGBZKR-LJQANCHMSA-N 2 2 345.418 2.161 40 0 EEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257253955 244276303 /nfs/dbraw/zinc/27/63/03/244276303.db2.gz KBABREPZGPGOFN-HNNXBMFYSA-N 2 2 327.432 2.270 40 0 EEABLP c1csc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000096038475 463142843 /nfs/dbraw/zinc/14/28/43/463142843.db2.gz SNLVQSTVFGWBKJ-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP c1csc(C[N@H+]2CCOC3(CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000096038475 463142847 /nfs/dbraw/zinc/14/28/47/463142847.db2.gz SNLVQSTVFGWBKJ-UHFFFAOYSA-N 2 2 344.484 2.405 40 0 EEABLP Cc1cccn2cc(CC[NH2+][C@@H]3CCCC[C@@H]3S(C)(=O)=O)[nH+]c12 ZINC000096491683 463286724 /nfs/dbraw/zinc/28/67/24/463286724.db2.gz AYSWSKFUXZGFIL-CVEARBPZSA-N 2 2 335.473 2.131 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000107738949 463580316 /nfs/dbraw/zinc/58/03/16/463580316.db2.gz OACJGUNKKLGUIH-FUHWJXTLSA-N 2 2 331.416 2.092 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000107738949 463580319 /nfs/dbraw/zinc/58/03/19/463580319.db2.gz OACJGUNKKLGUIH-FUHWJXTLSA-N 2 2 331.416 2.092 40 0 EEABLP CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000107738649 463580834 /nfs/dbraw/zinc/58/08/34/463580834.db2.gz JPEAGYOGYHJYDX-NVXWUHKLSA-N 2 2 339.505 2.091 40 0 EEABLP CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCC[NH+](Cc1nccs1)C2 ZINC000107738649 463580838 /nfs/dbraw/zinc/58/08/38/463580838.db2.gz JPEAGYOGYHJYDX-NVXWUHKLSA-N 2 2 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C[C@H](CCn1cncn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000096477494 463281278 /nfs/dbraw/zinc/28/12/78/463281278.db2.gz APALFOYIULYOSU-MRXNPFEDSA-N 2 2 337.537 2.398 40 0 EEABLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000096486207 463284179 /nfs/dbraw/zinc/28/41/79/463284179.db2.gz HIATWEVIZJVSRJ-GDBMZVCRSA-N 2 2 342.418 2.431 40 0 EEABLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)Cn3cc[nH+]c3)CC2)[nH+]c1 ZINC000081798316 463494679 /nfs/dbraw/zinc/49/46/79/463494679.db2.gz AAHCRORPOCONCL-MRXNPFEDSA-N 2 2 341.459 2.255 40 0 EEABLP CN(C)c1cc([C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257297478 463766858 /nfs/dbraw/zinc/76/68/58/463766858.db2.gz RHKBGVZHNWCNLE-INIZCTEOSA-N 2 2 327.432 2.140 40 0 EEABLP COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)C[NH+]1CCCC1 ZINC000257318806 463776596 /nfs/dbraw/zinc/77/65/96/463776596.db2.gz VPLVVZMAFQBNQL-MRXNPFEDSA-N 2 2 340.427 2.071 40 0 EEABLP COc1ccc(C[C@H]2C[N@H+](C)CC[C@H]2[NH2+]C2CC2)c(OC)c1OC ZINC000242723222 257683711 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CCn1cc(C[N@@H+]2Cc3ccnn3[C@H](CC[NH+](CC)CC)C2)cn1 ZINC000585112542 468975264 /nfs/dbraw/zinc/97/52/64/468975264.db2.gz SGFJSEWMEALMSS-GOSISDBHSA-N 2 2 330.480 2.388 40 0 EEABLP CCc1[nH]c(C[N@@H+]2CC[C@@H](OC)[C@H](CC(=O)N3CCCC3)C2)c(C)[nH+]1 ZINC000585279202 469004458 /nfs/dbraw/zinc/00/44/58/469004458.db2.gz XAENQBATYBUOBS-NVXWUHKLSA-N 2 2 348.491 2.130 40 0 EEABLP CCc1[nH]c(C[N@H+]2CC[C@@H](OC)[C@H](CC(=O)N3CCCC3)C2)c(C)[nH+]1 ZINC000585279202 469004463 /nfs/dbraw/zinc/00/44/63/469004463.db2.gz XAENQBATYBUOBS-NVXWUHKLSA-N 2 2 348.491 2.130 40 0 EEABLP Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)n1 ZINC000257221903 244189247 /nfs/dbraw/zinc/18/92/47/244189247.db2.gz DRAPQHMBQUHIAK-KRWDZBQOSA-N 2 2 340.475 2.417 40 0 EEABLP Cc1cc(-c2nccn2C)nc([C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)n1 ZINC000257221903 244189252 /nfs/dbraw/zinc/18/92/52/244189252.db2.gz DRAPQHMBQUHIAK-KRWDZBQOSA-N 2 2 340.475 2.417 40 0 EEABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000096052066 463154589 /nfs/dbraw/zinc/15/45/89/463154589.db2.gz OACJGUNKKLGUIH-SJLPKXTDSA-N 2 2 331.416 2.092 40 0 EEABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4cc[nH+]c4)CO3)C2)o1 ZINC000096052066 463154592 /nfs/dbraw/zinc/15/45/92/463154592.db2.gz OACJGUNKKLGUIH-SJLPKXTDSA-N 2 2 331.416 2.092 40 0 EEABLP CC(C)[N@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096188321 463200443 /nfs/dbraw/zinc/20/04/43/463200443.db2.gz PKJFRAWLGCETEQ-SFHVURJKSA-N 2 2 340.471 2.424 40 0 EEABLP CC(C)[N@@H+](C)C[C@H]1Cn2cc[nH+]c2CN(C(=O)Cc2ccccc2)C1 ZINC000096188321 463200446 /nfs/dbraw/zinc/20/04/46/463200446.db2.gz PKJFRAWLGCETEQ-SFHVURJKSA-N 2 2 340.471 2.424 40 0 EEABLP Cc1noc(C)c1C[N@H+]1CCN(CC[NH+](C)C)c2nc(C)ccc2C1 ZINC000096199014 463204764 /nfs/dbraw/zinc/20/47/64/463204764.db2.gz YSKVDLAJQGZYAZ-UHFFFAOYSA-N 2 2 343.475 2.379 40 0 EEABLP Cc1noc(C)c1C[N@@H+]1CCN(CC[NH+](C)C)c2nc(C)ccc2C1 ZINC000096199014 463204769 /nfs/dbraw/zinc/20/47/69/463204769.db2.gz YSKVDLAJQGZYAZ-UHFFFAOYSA-N 2 2 343.475 2.379 40 0 EEABLP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)on2)cn1 ZINC000185008108 463735455 /nfs/dbraw/zinc/73/54/55/463735455.db2.gz OJHPWIPXAKCNHB-AWEZNQCLSA-N 2 2 338.415 2.404 40 0 EEABLP Cn1cc(-c2cc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)on2)cn1 ZINC000185008108 463735461 /nfs/dbraw/zinc/73/54/61/463735461.db2.gz OJHPWIPXAKCNHB-AWEZNQCLSA-N 2 2 338.415 2.404 40 0 EEABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(C(=O)CCc2ccccc2)C1 ZINC000096188264 282128805 /nfs/dbraw/zinc/12/88/05/282128805.db2.gz DNBNSBLOQJWESD-QGZVFWFLSA-N 2 2 326.444 2.036 40 0 EEABLP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000096434568 463261864 /nfs/dbraw/zinc/26/18/64/463261864.db2.gz QRWLXPDSVDHIGL-UHFFFAOYSA-N 2 2 348.491 2.493 40 0 EEABLP COc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000096434568 463261870 /nfs/dbraw/zinc/26/18/70/463261870.db2.gz QRWLXPDSVDHIGL-UHFFFAOYSA-N 2 2 348.491 2.493 40 0 EEABLP Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2cc[nH+]c2C(C)C)[nH+]1 ZINC000257213190 463756139 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EEABLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000095429621 218372429 /nfs/dbraw/zinc/37/24/29/218372429.db2.gz HHTKKTCHXFIKJL-IJEWVQPXSA-N 2 2 346.475 2.426 40 0 EEABLP Cc1cc(N2CC[NH+](Cc3nc(N)c4ccccc4n3)CC2)cc[nH+]1 ZINC000274311102 256373409 /nfs/dbraw/zinc/37/34/09/256373409.db2.gz AVFRECWAJAYWKB-UHFFFAOYSA-N 2 2 334.427 2.238 40 0 EEABLP C[NH+]1CCN([C@@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096048847 463153170 /nfs/dbraw/zinc/15/31/70/463153170.db2.gz DIUUISAIHRPCCU-IBGZPJMESA-N 2 2 347.478 2.197 40 0 EEABLP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2c[nH+]cn21 ZINC000248148929 464733977 /nfs/dbraw/zinc/73/39/77/464733977.db2.gz WSFWWWXTJYIBJN-QGZVFWFLSA-N 2 2 335.411 2.190 40 0 EEABLP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794581 216306057 /nfs/dbraw/zinc/30/60/57/216306057.db2.gz DNFFQAMQNYBFBN-SQUITACLSA-N 2 2 327.472 2.186 40 0 EEABLP C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000072794581 216306060 /nfs/dbraw/zinc/30/60/60/216306060.db2.gz DNFFQAMQNYBFBN-SQUITACLSA-N 2 2 327.472 2.186 40 0 EEABLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257231808 244215618 /nfs/dbraw/zinc/21/56/18/244215618.db2.gz GIHBRESHGFVRBI-MRXNPFEDSA-N 2 2 327.432 2.186 40 0 EEABLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000097376112 219019108 /nfs/dbraw/zinc/01/91/08/219019108.db2.gz SXOHCPOZPLNKRR-SFHVURJKSA-N 2 2 326.444 2.335 40 0 EEABLP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCc2ccccc21 ZINC000090795792 462809226 /nfs/dbraw/zinc/80/92/26/462809226.db2.gz LLGXABUTIFTFKV-OAQYLSRUSA-N 2 2 337.467 2.470 40 0 EEABLP Cc1[nH+]c[nH]c1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096073162 463166872 /nfs/dbraw/zinc/16/68/72/463166872.db2.gz ZBTBAMNJVHAGCJ-KRWDZBQOSA-N 2 2 342.443 2.453 40 0 EEABLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)C3CC3)cn2)CC1 ZINC000096489602 463285544 /nfs/dbraw/zinc/28/55/44/463285544.db2.gz FAPBSMLAUZVTKA-UHFFFAOYSA-N 2 2 337.471 2.393 40 0 EEABLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)C3CC3)cn2)CC1 ZINC000096489602 463285552 /nfs/dbraw/zinc/28/55/52/463285552.db2.gz FAPBSMLAUZVTKA-UHFFFAOYSA-N 2 2 337.471 2.393 40 0 EEABLP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)nc(N2CCCC2)n1 ZINC000057823271 463520723 /nfs/dbraw/zinc/52/07/23/463520723.db2.gz ZOPDEUNGAOEXKJ-KRWDZBQOSA-N 2 2 329.492 2.385 40 0 EEABLP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC3)C2)nc(N2CCCC2)n1 ZINC000057823271 463520726 /nfs/dbraw/zinc/52/07/26/463520726.db2.gz ZOPDEUNGAOEXKJ-KRWDZBQOSA-N 2 2 329.492 2.385 40 0 EEABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](Cc3cnccn3)CC2)n1C ZINC000257311438 463773420 /nfs/dbraw/zinc/77/34/20/463773420.db2.gz UJLREEMMFXJEBN-UHFFFAOYSA-N 2 2 349.442 2.355 40 0 EEABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccccc1C ZINC000023254511 212364354 /nfs/dbraw/zinc/36/43/54/212364354.db2.gz XSXFQPMWRMHVBA-UHFFFAOYSA-N 2 2 344.455 2.254 40 0 EEABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccccc1 ZINC000022075353 212276649 /nfs/dbraw/zinc/27/66/49/212276649.db2.gz YMILZBNZHDQUIW-UHFFFAOYSA-N 2 2 344.455 2.336 40 0 EEABLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257210823 244149438 /nfs/dbraw/zinc/14/94/38/244149438.db2.gz BWIKYVPGSATDSU-INIZCTEOSA-N 2 2 327.432 2.059 40 0 EEABLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000078925066 217149124 /nfs/dbraw/zinc/14/91/24/217149124.db2.gz MNYUTMIMAZQVLM-IAGOWNOFSA-N 2 2 341.459 2.188 40 0 EEABLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000078925066 217149126 /nfs/dbraw/zinc/14/91/26/217149126.db2.gz MNYUTMIMAZQVLM-IAGOWNOFSA-N 2 2 341.459 2.188 40 0 EEABLP Fc1ccccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCOCC3)CCO[C@@H]2C1 ZINC000096108007 463175155 /nfs/dbraw/zinc/17/51/55/463175155.db2.gz XUHQRIMJWKWIJI-AZUAARDMSA-N 2 2 348.462 2.385 40 0 EEABLP Fc1ccccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)CCO[C@@H]2C1 ZINC000096108007 463175160 /nfs/dbraw/zinc/17/51/60/463175160.db2.gz XUHQRIMJWKWIJI-AZUAARDMSA-N 2 2 348.462 2.385 40 0 EEABLP Fc1ccccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)CCO[C@@H]2C1 ZINC000096108007 463175165 /nfs/dbraw/zinc/17/51/65/463175165.db2.gz XUHQRIMJWKWIJI-AZUAARDMSA-N 2 2 348.462 2.385 40 0 EEABLP Fc1ccccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)CCO[C@@H]2C1 ZINC000096108007 463175169 /nfs/dbraw/zinc/17/51/69/463175169.db2.gz XUHQRIMJWKWIJI-AZUAARDMSA-N 2 2 348.462 2.385 40 0 EEABLP C[NH+](C)C[C@H]1CN(C(=O)c2ccc3ncccc3c2)Cc2c[nH+]cn21 ZINC000248148924 464734375 /nfs/dbraw/zinc/73/43/75/464734375.db2.gz WSFWWWXTJYIBJN-KRWDZBQOSA-N 2 2 335.411 2.190 40 0 EEABLP