smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002009695 204023575 /nfs/dbraw/zinc/02/35/75/204023575.db2.gz CCHIICCEKRYUNR-UHFFFAOYSA-N 1 0 351.450 2.824 1 0 FFAFRO COc1ccc(C(=O)N[C@@H]2C3CC[NH+](CC3)[C@H]2Cc2cccnc2)cc1 ZINC000095571729 205788421 /nfs/dbraw/zinc/78/84/21/205788421.db2.gz IKXYPVOSZVQOPI-VQTJNVASSA-N 1 0 351.450 2.526 1 0 FFAFRO Cc1cccc(S(=O)(=O)n2cc3c4c2cccc4N2CC[NH2+]C[C@@H]2C3)c1 ZINC000169351341 206253512 /nfs/dbraw/zinc/25/35/12/206253512.db2.gz MIIIQNSWBUGKEY-INIZCTEOSA-N 1 0 367.474 2.521 1 0 FFAFRO Nc1ccccc1NC(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000028824518 136153481 /nfs/dbraw/zinc/15/34/81/136153481.db2.gz AHCWVEIHIWKIES-MRXNPFEDSA-N 1 0 351.454 2.591 1 0 FFAFRO [NH3+]CCCCNC(=O)c1cccc(Nc2nccc(-c3cccnc3)n2)c1 ZINC000042190869 205094803 /nfs/dbraw/zinc/09/48/03/205094803.db2.gz IHMRQAKZJBZCIN-UHFFFAOYSA-N 1 0 362.437 2.751 1 0 FFAFRO O=C1N(CCCc2ccccc2)CCC[C@]1(O)C[NH2+]Cc1ccccc1 ZINC000067490346 205373586 /nfs/dbraw/zinc/37/35/86/205373586.db2.gz SKHBFTJAZMYZRG-QFIPXVFZSA-N 1 0 352.478 2.763 1 0 FFAFRO O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH2+]C[C@H]1CCc2ccccc2O1 ZINC000073197697 205568426 /nfs/dbraw/zinc/56/84/26/205568426.db2.gz URQVZPKHIUYIDP-MSOLQXFVSA-N 1 0 371.481 2.567 1 0 FFAFRO O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@H]1CCCC[NH2+]1 ZINC000169302637 206249184 /nfs/dbraw/zinc/24/91/84/206249184.db2.gz LNOUDWPQEHYKOB-HZPDHXFCSA-N 1 0 360.408 2.786 1 0 FFAFRO COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CC[N@H+](C)C[C@H]32)cc(OC)c1OC ZINC000169341324 206252140 /nfs/dbraw/zinc/25/21/40/206252140.db2.gz WKIBVCUQGIAFNQ-FVQBIDKESA-N 1 0 363.454 2.990 1 0 FFAFRO C[C@@H](Cn1c2cccnc2oc1=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000028264659 132377948 /nfs/dbraw/zinc/37/79/48/132377948.db2.gz XCZBNGUIOWXWTF-OAHLLOKOSA-N 1 0 370.428 2.587 1 0 FFAFRO [NH3+][C@H]1CN(c2cnc3cccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F ZINC000028707342 132919128 /nfs/dbraw/zinc/91/91/28/132919128.db2.gz MRIUJCURPDUJHH-BMIGLBTASA-N 1 0 359.355 2.763 1 0 FFAFRO O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CC[NH+](C2CCCCC2)CC1 ZINC000103009289 222317867 /nfs/dbraw/zinc/31/78/67/222317867.db2.gz UZFUCLLTNNGIJF-GOSISDBHSA-N 1 0 373.472 2.576 1 0 FFAFRO CC(C)Oc1cccc(C=C2SC(=O)NC2=O)c1N1CCC[C@@H]([NH3+])C1 ZINC000084670254 535029097 /nfs/dbraw/zinc/02/90/97/535029097.db2.gz ULMRMVZQMKZWKJ-MLJKTZRHSA-N 1 0 361.467 2.725 1 0 in-vitro FFAFRO C[C@@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC[NH2+]1 ZINC000064527117 205298665 /nfs/dbraw/zinc/29/86/65/205298665.db2.gz WUMYVNAGGQHXJW-MRVPVSSYSA-N 1 0 374.655 2.611 1 0 FFAFRO O=C(NCC[NH+]1CCCC1)c1ccc(-n2sc3ccccc3c2=O)cc1 ZINC000064693646 205303561 /nfs/dbraw/zinc/30/35/61/205303561.db2.gz RLRAGKGBFIOSKB-UHFFFAOYSA-N 1 0 367.474 2.878 1 0 FFAFRO COc1cc2nc3c(c(C)nn3C)c(NCCC[NH+](C)C)c2cc1OC ZINC000169328115 206252009 /nfs/dbraw/zinc/25/20/09/206252009.db2.gz YOAMTNXDWRWPJS-UHFFFAOYSA-N 1 0 357.458 2.811 1 0 FFAFRO O=c1oc2ncccc2n1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000028264075 132377960 /nfs/dbraw/zinc/37/79/60/132377960.db2.gz NWWIANVERZWOLK-UHFFFAOYSA-N 1 0 370.428 2.731 1 0 FFAFRO COc1cc(CCC[C@@H]2CCc3[nH+]c(N)nc(N)c32)cc(OC)c1OC ZINC000005888655 204229784 /nfs/dbraw/zinc/22/97/84/204229784.db2.gz KMGSMVQZXMWFBL-GFCCVEGCSA-N 1 0 358.442 2.720 1 0 FFAFRO COc1ccc2c(c1)[C@@H](CC[NH+](C)C)CN2S(=O)(=O)c1ccccc1 ZINC000013864765 204557411 /nfs/dbraw/zinc/55/74/11/204557411.db2.gz LWEWWHJJZIXSLB-HNNXBMFYSA-N 1 0 360.479 2.939 1 0 FFAFRO Nc1ccc(S(=O)(=O)n2cc(C[C@@H]3CCC[NH2+]3)c3ccccc32)cc1 ZINC000028526360 204883653 /nfs/dbraw/zinc/88/36/53/204883653.db2.gz QDSCCNYUEDYRQW-INIZCTEOSA-N 1 0 355.463 2.755 1 0 FFAFRO Cc1cccc(C(=O)NN2CC[NH+](CCc3c[nH]c4ccccc34)CC2)c1 ZINC000039219485 205045146 /nfs/dbraw/zinc/04/51/46/205045146.db2.gz CWHZIJFVOXLKTJ-UHFFFAOYSA-N 1 0 362.477 2.981 1 0 FFAFRO CNC(=O)Cn1c2ccccc2n(C2CC[NH+](CCC(C)(C)C)CC2)c1=O ZINC000049067332 205169293 /nfs/dbraw/zinc/16/92/93/205169293.db2.gz DOGYUXXGMZAOPV-UHFFFAOYSA-N 1 0 372.513 2.622 1 0 FFAFRO CC(C)Nc1nccc(N(CCCC[NH3+])C(=O)c2ccc3c(c2)CCO3)n1 ZINC000049125104 205169769 /nfs/dbraw/zinc/16/97/69/205169769.db2.gz CTOTVRZVWQNAST-UHFFFAOYSA-N 1 0 369.469 2.618 1 0 FFAFRO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(N)c(Br)c1)[N@@H+]2C ZINC000056727965 205232973 /nfs/dbraw/zinc/23/29/73/205232973.db2.gz LDJPMOIHMAEPSX-HKCMKHECSA-N 1 0 353.260 2.771 1 0 FFAFRO CC(C)c1n[nH]cc1-c1ccnc(Nc2ccc(N3CC[NH2+]CC3)cn2)n1 ZINC000064513178 136133239 /nfs/dbraw/zinc/13/32/39/136133239.db2.gz MKJQNJOYGXZGII-UHFFFAOYSA-N 1 0 364.457 2.538 1 0 FFAFRO COc1ccccc1N1CC[NH+](CCc2ccc3[nH]c(=O)sc3c2)CC1 ZINC000000604740 524554386 /nfs/dbraw/zinc/55/43/86/524554386.db2.gz WLRGRIASWLNOKV-UHFFFAOYSA-N 1 0 369.490 2.963 1 0 FFAFRO CC[NH+](CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000005022374 204184487 /nfs/dbraw/zinc/18/44/87/204184487.db2.gz PXUWZYDSVLVVOV-UHFFFAOYSA-N 1 0 357.479 2.825 3 0 FFAFRO Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2CC[C@H]1CCC[NH2+]C1 ZINC000008581947 204335040 /nfs/dbraw/zinc/33/50/40/204335040.db2.gz TXZDVQGUIJKUMP-LLVKDONJSA-N 1 0 372.860 2.824 1 0 FFAFRO Cc1cccc(C2=C(c3cn(CCC[NH3+])c4ccccc34)C(=O)NC2=O)c1 ZINC000029124635 204895411 /nfs/dbraw/zinc/89/54/11/204895411.db2.gz UTOZGOKIINQHQY-UHFFFAOYSA-N 1 0 359.429 2.866 1 0 FFAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@H]2CCC=C2C(=O)Nc2ccccc2)cc1 ZINC000037858450 205033496 /nfs/dbraw/zinc/03/34/96/205033496.db2.gz PJEBPBYKRIOZCA-KRWDZBQOSA-N 1 0 362.433 2.562 1 0 FFAFRO Cc1[nH]c2ccccc2c1CC[NH+]1CCN(NC(=O)c2ccccc2)CC1 ZINC000039219496 205044062 /nfs/dbraw/zinc/04/40/62/205044062.db2.gz NOIYBDVJLSYTJB-UHFFFAOYSA-N 1 0 362.477 2.981 1 0 FFAFRO NC(=O)Nc1sc(-c2ccccc2F)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000040861142 205082652 /nfs/dbraw/zinc/08/26/52/205082652.db2.gz ZYITZPCUXXBBIN-JTQLQIEISA-N 1 0 362.430 2.527 1 0 FFAFRO COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCC[NH2+]1 ZINC000066252088 205365225 /nfs/dbraw/zinc/36/52/25/205365225.db2.gz OFLGSFKBBRGLOC-CHWSQXEVSA-N 1 0 359.207 2.690 1 0 FFAFRO Nc1c(Br)c([C@H]2CCC[NH2+]C2)nc2c(-c3ccoc3)cnn21 ZINC000060328035 221129138 /nfs/dbraw/zinc/12/91/38/221129138.db2.gz UUXLORHYMYNKFC-VIFPVBQESA-N 1 0 362.231 2.801 1 0 FFAFRO CCCC[N@H+](CC)CC(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000002497648 132383573 /nfs/dbraw/zinc/38/35/73/132383573.db2.gz QKDPJAWNPPAUAP-UHFFFAOYSA-N 1 0 358.438 2.900 1 0 FFAFRO C[NH+]1CCN(c2ccc(-c3cnc(N)nc3-c3ccccc3O)cc2)CC1 ZINC000071296615 136138857 /nfs/dbraw/zinc/13/88/57/136138857.db2.gz SSGOXZZURAYZGL-UHFFFAOYSA-N 1 0 361.449 2.850 1 0 FFAFRO CCOC(=O)c1[nH]c2ccc(CCN3CCCC3=O)cc2c1CC[NH+](C)C ZINC000013605913 204540059 /nfs/dbraw/zinc/54/00/59/204540059.db2.gz VQTJTDJXYRNLSQ-UHFFFAOYSA-N 1 0 371.481 2.614 1 0 FFAFRO Cc1cc2n[nH]c(=O)n2c2cc(-c3cccc(CN4CC[NH2+]CC4)c3)ccc12 ZINC000038825774 205043322 /nfs/dbraw/zinc/04/33/22/205043322.db2.gz XKYDSGQTSKYYNE-UHFFFAOYSA-N 1 0 373.460 2.556 1 0 FFAFRO CC1(C)NC(=[NH2+])NC(=N)N1OCOc1cc(Cl)c(Cl)cc1Cl ZINC000045167830 205117407 /nfs/dbraw/zinc/11/74/07/205117407.db2.gz GCQTWOBVKUXCCM-UHFFFAOYSA-N 1 0 366.636 2.805 1 0 FFAFRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(NC(=O)N3CCN(C)CC3)cc2)C1 ZINC000059260601 205279901 /nfs/dbraw/zinc/27/99/01/205279901.db2.gz WGDBSIUKEGGNAD-YLJYHZDGSA-N 1 0 371.529 2.529 1 0 FFAFRO CN1N=C(c2ccc(OC3CC[NH+](C4CCC4)CC3)cc2)[C@@H]2C[C@@H]2C1=O ZINC000103260455 205990469 /nfs/dbraw/zinc/99/04/69/205990469.db2.gz QLBYNJNJSAHWFL-MOPGFXCFSA-N 1 0 353.466 2.895 1 0 FFAFRO Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCCCC[NH+](C)C)[C@@H]1O2 ZINC000169323926 206249942 /nfs/dbraw/zinc/24/99/42/206249942.db2.gz QOFLBKRDMVQFLC-FKBYEOEOSA-N 1 0 372.509 2.983 1 0 FFAFRO COc1cc2nc3c(c(C)nn3C)c(NCCC[NH+](C)C)c2c(OC)c1 ZINC000169328570 206252407 /nfs/dbraw/zinc/25/24/07/206252407.db2.gz HNPGTGWQOKEROL-UHFFFAOYSA-N 1 0 357.458 2.811 1 0 FFAFRO C[C@@]1(C[NH2+]CC2CCN(c3ncccn3)CC2)COc2ccccc2O1 ZINC000013799859 132871547 /nfs/dbraw/zinc/87/15/47/132871547.db2.gz LDDHERVSSWYDKG-HXUWFJFHSA-N 1 0 354.454 2.513 1 0 FFAFRO NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F ZINC000013444369 581096709 /nfs/dbraw/zinc/09/67/09/581096709.db2.gz YLUBBMAMBPRAKF-JTQLQIEISA-N 1 0 370.384 2.916 1 0 FFAFRO COC(=O)[C@@]12C[C@@H](O)CC[C@@H]1C[N@@H+]1CCc3c4ccccc4[nH]c3[C@@H]1C2 ZINC000033829907 291060663 /nfs/dbraw/zinc/06/06/63/291060663.db2.gz DJYUVQHOELNJST-VOJYLLLMSA-N 1 0 354.450 2.791 1 0 biogenic,in-vitro FFAFRO C[C@@]1(O)C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)[C@H]4OCC[N@@H+]4[C@@H]5[C@H]2C[C@H]1C[C@H]36 ZINC000095918718 291063366 /nfs/dbraw/zinc/06/33/66/291063366.db2.gz ADWWSTLDHHDKTM-DYGTYFQGSA-N 1 0 357.494 2.590 1 0 biogenic,in-vitro FFAFRO CC(C)[NH+](CCCNC(=O)CN1C[C@@H](c2ccccc2)CC1=O)C(C)C ZINC000027752608 204867970 /nfs/dbraw/zinc/86/79/70/204867970.db2.gz VGLXIOYNWVFQPC-IBGZPJMESA-N 1 0 359.514 2.628 1 0 FFAFRO CS(=O)(=O)N1CCCc2cc(OCCC[NH+]3CCCCC3)ccc2C1 ZINC000036289077 205009337 /nfs/dbraw/zinc/00/93/37/205009337.db2.gz KEECVFYIAQVONM-UHFFFAOYSA-N 1 0 366.527 2.649 1 0 FFAFRO NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000040897222 205084550 /nfs/dbraw/zinc/08/45/50/205084550.db2.gz GJKQWBXWRRIYFO-GFCCVEGCSA-N 1 0 358.467 2.635 1 0 FFAFRO C[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCCC[C@H]2C(=O)NCc1ccccc1 ZINC000045245888 205119081 /nfs/dbraw/zinc/11/90/81/205119081.db2.gz VQEHUSZRPBZZLV-GXTWGEPZSA-N 1 0 372.494 2.555 1 0 FFAFRO CCOC[C@@]1(C[NH+]2CCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089705 205169084 /nfs/dbraw/zinc/16/90/84/205169084.db2.gz CKPMOWXBASFJMZ-NRFANRHFSA-N 1 0 371.433 2.795 1 0 FFAFRO O=C([C@H]1CCCN(c2cc[nH+]cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033128840 136117512 /nfs/dbraw/zinc/11/75/12/136117512.db2.gz PPBXERHBLGQSKB-KRWDZBQOSA-N 1 0 368.456 2.786 1 0 FFAFRO O=C1c2ccccc2CCCN1CCC[NH+]1CCN(c2ccccn2)CC1 ZINC000040917729 136120511 /nfs/dbraw/zinc/12/05/11/136120511.db2.gz MWUMXOQHNPRQCI-UHFFFAOYSA-N 1 0 364.493 2.682 1 0 FFAFRO CN1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O ZINC000012075623 506814224 /nfs/dbraw/zinc/81/42/24/506814224.db2.gz FMXYJXWFDOJFQQ-IBGZPJMESA-N 1 0 358.873 2.970 1 0 FFAFRO COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(N(C)C)cc1[C@@H]([NH3+])CC2 ZINC000006437317 204248547 /nfs/dbraw/zinc/24/85/47/204248547.db2.gz RUQXXMUWOBJEQX-HNNXBMFYSA-N 1 0 370.449 2.752 1 0 FFAFRO NC(=O)[C@H]([NH3+])c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 ZINC000029127731 204895952 /nfs/dbraw/zinc/89/59/52/204895952.db2.gz LQRQDIIPLDMQEU-QGZVFWFLSA-N 1 0 366.446 2.735 1 0 FFAFRO CN(Cc1nc2c(cccc2CNCC[NH3+])[nH]1)[C@@H]1CCCc2cccnc21 ZINC000045255352 205118530 /nfs/dbraw/zinc/11/85/30/205118530.db2.gz KZTWYBMMGBUMJF-GOSISDBHSA-N 1 0 364.497 2.516 1 0 FFAFRO C[NH+]1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)CC1 ZINC000043196748 205101582 /nfs/dbraw/zinc/10/15/82/205101582.db2.gz QEYZDQKYDMAJAJ-UHFFFAOYSA-N 1 0 369.490 2.626 1 0 FFAFRO C[N@H+](CCCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)Cc1ccccc1 ZINC000049073059 205169152 /nfs/dbraw/zinc/16/91/52/205169152.db2.gz PRRCKHKYWTUVDE-UHFFFAOYSA-N 1 0 357.841 2.865 1 0 FFAFRO [NH3+]CCNc1ccc2c(c1)[nH]nc2S(=O)(=O)c1cccc2ccccc21 ZINC000066103531 205364306 /nfs/dbraw/zinc/36/43/06/205364306.db2.gz QXPWRAXEWDBKHX-UHFFFAOYSA-N 1 0 366.446 2.920 1 0 FFAFRO O=C1[C@H]2[C@H]3CC[C@H](C3[NH2+]Cc3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013136269 206301640 /nfs/dbraw/zinc/30/16/40/206301640.db2.gz RAKHRCAHNDHPHV-MLVLIFOTSA-N 1 0 360.457 2.986 1 0 FFAFRO O=C(c1ccccn1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000061969200 136132687 /nfs/dbraw/zinc/13/26/87/136132687.db2.gz UQBUXXIHBYSWHP-IBGZPJMESA-N 1 0 350.466 2.508 3 0 FFAFRO CS(=O)(=O)Nc1cc(OCC[NH2+]Cc2cccs2)ccc1Cl ZINC000026823792 581096100 /nfs/dbraw/zinc/09/61/00/581096100.db2.gz RGVJFPMOLSXLGJ-UHFFFAOYSA-N 1 0 360.888 2.942 1 0 FFAFRO COc1ccc(-n2ncc(C(=O)N3CCCCC3)c2C2CC[NH2+]CC2)cc1 ZINC000007000423 207182728 /nfs/dbraw/zinc/18/27/28/207182728.db2.gz TYDLPBWTIIOQCU-UHFFFAOYSA-N 1 0 368.481 2.974 1 0 FFAFRO CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]CCOc2ccc(C)cc2)cc1 ZINC000007785765 207207596 /nfs/dbraw/zinc/20/75/96/207207596.db2.gz KBRFDAWLCOPJCL-HXUWFJFHSA-N 1 0 371.477 2.925 3 0 FFAFRO COc1ccc(NC(=O)N[C@@H]2C3CC[NH+](CC3)[C@@H]2Cc2cccnc2)cc1 ZINC000028522582 207964156 /nfs/dbraw/zinc/96/41/56/207964156.db2.gz XOCXGISRYQTMMC-WOJBJXKFSA-N 1 0 366.465 2.917 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[C@H]2CCCC[N@@H+]2C1 ZINC000039438943 208209806 /nfs/dbraw/zinc/20/98/06/208209806.db2.gz VTFNJDHZVZDGIG-QWHCGFSZSA-N 1 0 351.878 2.925 1 0 FFAFRO COc1ccccc1S(=O)(=O)n1c2ccccc2c2c1CC[NH2+]CC2 ZINC000040934086 208275258 /nfs/dbraw/zinc/27/52/58/208275258.db2.gz PBVVAYNTOZMIGX-UHFFFAOYSA-N 1 0 356.447 2.575 1 0 FFAFRO CCOC(=O)C[C@@H]1C[C@@H](n2cc(-c3ccccc3)c3c2ncnc3N)C[NH2+]1 ZINC000040395075 208251238 /nfs/dbraw/zinc/25/12/38/208251238.db2.gz NSBNFOWYPJTLFF-LSDHHAIUSA-N 1 0 365.437 2.537 1 0 FFAFRO Cn1nc(-c2ccc(OC3CC[NH+](C4CCCC4)CC3)nc2)ccc1=O ZINC000082150110 208950020 /nfs/dbraw/zinc/95/00/20/208950020.db2.gz HTFPNFFVMNUPNX-UHFFFAOYSA-N 1 0 354.454 2.628 1 0 FFAFRO O=C1C[C@@H]2[N@@H+](CC3CC3)CC[C@]34CC(O)=C1C[C@]23Cc1ccc(O)cc14 ZINC000095560148 209080634 /nfs/dbraw/zinc/08/06/34/209080634.db2.gz WWZJATZYCGKHLQ-FBEWHJACSA-N 1 0 351.446 2.609 1 0 FFAFRO O=C1[C@H]2CCCCN2C(=O)N1CCCC[NH2+]C[C@@H]1CCc2ccccc2O1 ZINC000073197700 221560812 /nfs/dbraw/zinc/56/08/12/221560812.db2.gz URQVZPKHIUYIDP-ZWKOTPCHSA-N 1 0 371.481 2.567 1 0 FFAFRO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004164073 207005405 /nfs/dbraw/zinc/00/54/05/207005405.db2.gz ZPZXBSYRQXXUMN-AYOQOUSVSA-N 1 0 369.465 2.932 1 0 FFAFRO O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1C[NH2+]CCO ZINC000040917305 208275069 /nfs/dbraw/zinc/27/50/69/208275069.db2.gz KXWMIMXRSRSFNJ-UHFFFAOYSA-N 1 0 357.413 2.660 1 0 FFAFRO C[NH2+]C[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2cccc(F)c21 ZINC000043009520 208298196 /nfs/dbraw/zinc/29/81/96/208298196.db2.gz DONMCIZYEUHXSH-MSOLQXFVSA-N 1 0 357.429 2.693 1 0 FFAFRO CCCn1c2ccc(F)cc2n([C@@H](c2ccccc2)[C@H](O)C[NH2+]C)c1=O ZINC000043020761 208301472 /nfs/dbraw/zinc/30/14/72/208301472.db2.gz ZOPKRUALFVBFRZ-MOPGFXCFSA-N 1 0 357.429 2.522 1 0 FFAFRO C[NH2+]C[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C2CCC2)c1=O ZINC000043122726 208302835 /nfs/dbraw/zinc/30/28/35/208302835.db2.gz IWVPGLLZAJONSB-UXHICEINSA-N 1 0 351.450 2.698 1 0 FFAFRO C[C@H](CON1C(=N)NC(=[NH2+])NC1(C)C)Cc1ccc(Cl)cc1Cl ZINC000045192188 208328255 /nfs/dbraw/zinc/32/82/55/208328255.db2.gz BHDZOHITMCDRIX-VIFPVBQESA-N 1 0 358.273 2.785 1 0 FFAFRO Cc1ccc(S(=O)(=O)n2cc3c4c2cccc4N2CC[NH2+]C[C@H]2C3)cc1 ZINC000118362910 132248089 /nfs/dbraw/zinc/24/80/89/132248089.db2.gz XDPLLMUFCKSYAJ-MRXNPFEDSA-N 1 0 367.474 2.521 1 0 FFAFRO COc1cc2c(c(OC)c1OC)[C@@H](OC)O[C@@H]1CC=C3CC[N@H+](C)[C@H]3[C@H]21 ZINC000095564100 209080604 /nfs/dbraw/zinc/08/06/04/209080604.db2.gz LPEKOSCSUJGQQB-PCFVDWANSA-N 1 0 361.438 2.874 1 0 FFAFRO NC(=[NH2+])c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 ZINC000003778392 581097186 /nfs/dbraw/zinc/09/71/86/581097186.db2.gz QMRJOIUGPCVZPH-UHFFFAOYSA-N 1 0 373.416 2.714 1 0 in-man FFAFRO COc1cc2[nH+]c3c(c(N)c2cc1OC)C[C@H](CNC(=O)c1ccoc1)C3 ZINC000103218939 209249585 /nfs/dbraw/zinc/24/95/85/209249585.db2.gz MXFRFAKAWOQMMJ-NSHDSACASA-N 1 0 367.405 2.572 1 0 FFAFRO COc1c(O)ccc2c1[C@@]13CC[N@H+](CC4CC4)[C@@H](C2)[C@]1(OC)CCC(=O)C3 ZINC000034137071 208103500 /nfs/dbraw/zinc/10/35/00/208103500.db2.gz HHLFEKGPFKSEJX-YUXAGFNASA-N 1 0 371.477 2.817 1 0 FFAFRO O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2CC(=O)c3cncnc3C2)CC1 ZINC000045299987 208330109 /nfs/dbraw/zinc/33/01/09/208330109.db2.gz APGISPPDWLSWQA-CQSZACIVSA-N 1 0 367.424 2.956 1 0 FFAFRO CN(C)c1nc2[nH]c(-c3ccc(F)cc3)cc2c(N2CC[NH+](C)CC2)n1 ZINC000095595115 132215925 /nfs/dbraw/zinc/21/59/25/132215925.db2.gz ICYXOXQWSOQPPE-UHFFFAOYSA-N 1 0 354.433 2.582 1 0 FFAFRO C[C@@H](CCn1c2cccnc2oc1=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000028263849 132917962 /nfs/dbraw/zinc/91/79/62/132917962.db2.gz JBLLITFWSLLWJG-HNNXBMFYSA-N 1 0 370.428 2.729 1 0 FFAFRO Nc1cc(-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)ccn1 ZINC000073129476 136149864 /nfs/dbraw/zinc/14/98/64/136149864.db2.gz MOZROMRMFAGZKC-UHFFFAOYSA-N 1 0 371.448 2.679 1 0 FFAFRO CC(C)C[C@H]([NH3+])C(=O)Nc1cc(NC(=O)/C=C/c2ccco2)ccc1O ZINC000103178801 209246428 /nfs/dbraw/zinc/24/64/28/209246428.db2.gz PDXPUILNDBSZBP-VFADXPBXSA-N 1 0 357.410 2.949 1 0 FFAFRO O=C1[C@H]2[C@@H](C(=O)N1CC1CC[NH2+]CC1)C1c3ccccc3C2c2ccccc21 ZINC000098082196 209205177 /nfs/dbraw/zinc/20/51/77/209205177.db2.gz AZNTUSCWIJJAIH-JQBYJRRVSA-N 1 0 372.468 2.878 1 0 FFAFRO O=C(c1cccnc1F)C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000096273568 209149199 /nfs/dbraw/zinc/14/91/99/209149199.db2.gz KRLKCIZEBPFNDM-RTBURBONSA-N 1 0 354.425 2.644 1 0 FFAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OCC[C@H](C)OC ZINC000001542263 206887957 /nfs/dbraw/zinc/88/79/57/206887957.db2.gz MNHYAKKTEVCZLI-ZDUSSCGKSA-N 1 0 371.909 2.798 1 0 FFAFRO Cc1nn(-c2ncccn2)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000040894488 208274530 /nfs/dbraw/zinc/27/45/30/208274530.db2.gz BINOXUJJDNEMFH-UHFFFAOYSA-N 1 0 361.449 2.992 1 0 FFAFRO COc1ccc(S(=O)(=O)n2c3ccccc3c3c2CC[NH2+]CC3)cc1 ZINC000040935343 208275360 /nfs/dbraw/zinc/27/53/60/208275360.db2.gz OBLRVYFAEFJDHJ-UHFFFAOYSA-N 1 0 356.447 2.575 1 0 FFAFRO [NH3+]CCNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc32)s1 ZINC000040394854 208250030 /nfs/dbraw/zinc/25/00/30/208250030.db2.gz JWMDMQGOJLNOPE-UHFFFAOYSA-N 1 0 365.256 2.742 1 0 FFAFRO COC(=O)C1=C[C@@]23C=CC[N@H+]4CC[C@@]5(c6cccc(OC)c6N[C@]15CC2)[C@@H]43 ZINC000014827760 291060045 /nfs/dbraw/zinc/06/00/45/291060045.db2.gz ODBHRWMYWUAHLS-DXBBTUNJSA-N 1 0 364.445 2.635 1 0 biogenic,in-vitro FFAFRO C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@@H]3CCC[C@@H]3[NH2+]2)[C@@]2(O)CN12 ZINC000085547790 291063627 /nfs/dbraw/zinc/06/36/27/291063627.db2.gz YXDQYQYESXZUJA-SVWSVNDESA-N 1 0 354.494 2.916 1 0 biogenic,in-vitro FFAFRO CC[NH+](CC)[C@H](C)CCN1C(=O)C[C@]2(CCCc3ccc(O)cc32)C1=O ZINC000027561961 207932761 /nfs/dbraw/zinc/93/27/61/207932761.db2.gz LBOJQBIKUHKFSE-VFNWGFHPSA-N 1 0 358.482 2.846 1 0 FFAFRO CC[C@@H](C)C(=O)C(=O)NCC[n+]1c2ccccc2n(C)c1-c1ccccc1 ZINC000029470099 207992048 /nfs/dbraw/zinc/99/20/48/207992048.db2.gz GTJAGPSIVCMDOY-MRXNPFEDSA-O 1 0 364.469 2.864 1 0 FFAFRO CCOC(=O)C[C@@H]1C[C@H](n2cc(-c3ccccc3)c3c2ncnc3N)C[NH2+]1 ZINC000040899241 208275107 /nfs/dbraw/zinc/27/51/07/208275107.db2.gz NSBNFOWYPJTLFF-GJZGRUSLSA-N 1 0 365.437 2.537 1 0 FFAFRO COc1ccc(CCn2nnn[n+]2C2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000040575585 208256977 /nfs/dbraw/zinc/25/69/77/208256977.db2.gz YVYDOEIFNPYSGZ-UHFFFAOYSA-N 1 0 370.864 2.793 1 0 FFAFRO C[C@H](Cn1c2cccnc2oc1=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000028264654 132377946 /nfs/dbraw/zinc/37/79/46/132377946.db2.gz XCZBNGUIOWXWTF-HNNXBMFYSA-N 1 0 370.428 2.587 1 0 FFAFRO Cc1cc(-c2ccccc2)cc(C)[n+]1Cc1ccc(S(N)(=O)=O)cc1 ZINC000027989479 581091305 /nfs/dbraw/zinc/09/13/05/581091305.db2.gz QCHONQLKYKFIRT-UHFFFAOYSA-N 1 0 353.467 2.954 1 0 FFAFRO CC(=O)N[C@@H](CCCC[NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000005663018 207110954 /nfs/dbraw/zinc/11/09/54/207110954.db2.gz DYIBVFCKZKUGRF-NRFANRHFSA-N 1 0 367.493 2.768 1 0 FFAFRO CC[NH+](CC)CCCCN1C(=O)C[C@@]2(CCCc3cc(O)ccc32)C1=O ZINC000027617634 207935662 /nfs/dbraw/zinc/93/56/62/207935662.db2.gz ICFVIORGSMWJHS-OAQYLSRUSA-N 1 0 358.482 2.847 1 0 FFAFRO CCC[NH2+]CC(=O)Nc1ccc([C@@H]2NC(=O)[C@H](C)c3ccccc32)cc1 ZINC000033823673 208099719 /nfs/dbraw/zinc/09/97/19/208099719.db2.gz RQORVHNEKKGADI-VLIAUNLRSA-N 1 0 351.450 2.947 1 0 FFAFRO NC(=O)Nc1sc(-c2cccc(F)c2)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000040861144 208273138 /nfs/dbraw/zinc/27/31/38/208273138.db2.gz QMTYJSSGHPNPDY-LBPRGKRZSA-N 1 0 362.430 2.527 1 0 FFAFRO [NH3+]CCC(=O)N1CCc2c3cc(F)ccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000045337370 208331228 /nfs/dbraw/zinc/33/12/28/208331228.db2.gz UPRAPYOVWHBPCL-HXUWFJFHSA-N 1 0 353.397 2.836 1 0 FFAFRO C[NH2+][C@H]1C[C@H]2c3cc(-c4ccccc4)ccc3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061923983 208600577 /nfs/dbraw/zinc/60/05/77/208600577.db2.gz DAGISASTOSKSAN-CXTHYWKRSA-N 1 0 350.462 2.768 3 0 FFAFRO O=C1CN(CC2CC[NH2+]CC2)C(=O)c2ccccc2N1Cc1ccccc1 ZINC000095562777 209080586 /nfs/dbraw/zinc/08/05/86/209080586.db2.gz DOXMCTZUFFGNCV-UHFFFAOYSA-N 1 0 363.461 2.675 1 0 FFAFRO CCOC(=O)N1CCC(C[N@@H+]2CC[C@@H](N3C(=O)Cc4ccccc43)C2)CC1 ZINC000095591578 209083670 /nfs/dbraw/zinc/08/36/70/209083670.db2.gz BPIMWCPHYBQONW-GOSISDBHSA-N 1 0 371.481 2.519 1 0 FFAFRO Cc1cc(C)n(-c2n[nH]c(N3CC[NH+](C)CC3)c3c4ccccc4nc2-3)n1 ZINC000100860330 209219053 /nfs/dbraw/zinc/21/90/53/209219053.db2.gz YCJFUAKPNBLZCL-UHFFFAOYSA-N 1 0 361.453 2.617 1 0 FFAFRO CCCCCCOc1c(OC)cc(C[C@@H]2CNC(=[NH2+])N=C2N)cc1OC ZINC000013757744 207483817 /nfs/dbraw/zinc/48/38/17/207483817.db2.gz RCAKBZPOARPETR-CQSZACIVSA-N 1 0 362.474 2.926 1 0 FFAFRO COc1cc2c(cc1OC)[C@H]1C[C@@H]([NH3+])[C@H](c3cc(C)ccn3)CN1CC2 ZINC000034461890 208104577 /nfs/dbraw/zinc/10/45/77/208104577.db2.gz XAYJELCFFHREMD-ZHALLVOQSA-N 1 0 353.466 2.821 1 0 FFAFRO NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000040897225 208274301 /nfs/dbraw/zinc/27/43/01/208274301.db2.gz KNTWZURKOIFGHV-CYBMUJFWSA-N 1 0 358.467 2.778 1 0 FFAFRO COc1cccc(S(=O)(=O)n2ccc3cc4c(cc32)CC[NH2+]CC4)c1 ZINC000040917277 208274652 /nfs/dbraw/zinc/27/46/52/208274652.db2.gz XPTXBBCZWWFNRD-UHFFFAOYSA-N 1 0 356.447 2.575 1 0 FFAFRO Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CC[N@@H+]3C2)cc1 ZINC000003825236 132385724 /nfs/dbraw/zinc/38/57/24/132385724.db2.gz QXWNESOGWFJDFR-PBHICJAKSA-N 1 0 360.408 2.734 1 0 in-vivo FFAFRO [NH3+][C@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1 ZINC000013588774 581096729 /nfs/dbraw/zinc/09/67/29/581096729.db2.gz CCVLFWJUTCIGQQ-INIZCTEOSA-N 1 0 372.428 2.850 1 0 FFAFRO CN1C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=NC(N)=[NH2+] ZINC000013734199 581098830 /nfs/dbraw/zinc/09/88/30/581098830.db2.gz ODJUKFKDSPPDFS-UVTDQMKNSA-N 1 0 371.485 2.639 1 0 FFAFRO CC[NH2+]C[C@H]1[C@H]2C=C[C@@H]3N([C@H]2[C@@H](c2ccc(C=O)cc2)C2CCCC2)[C@@]31O ZINC000085547858 291059317 /nfs/dbraw/zinc/05/93/17/291059317.db2.gz RJRXULCIAXWXHS-GWOSEBQGSA-N 1 0 366.505 2.940 1 0 biogenic,in-vitro FFAFRO COc1cc2nc(N3CCC[N@H+](C)CC3)nc(NC(C)C)c2cc1OC ZINC000036382501 208159532 /nfs/dbraw/zinc/15/95/32/208159532.db2.gz BWYAJHPZOGUXHA-UHFFFAOYSA-N 1 0 359.474 2.609 1 0 FFAFRO COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)[NH2+]2 ZINC000036270853 208151887 /nfs/dbraw/zinc/15/18/87/208151887.db2.gz GPTFOAJWBIXTMY-YIYPIFLZSA-N 1 0 371.218 2.688 1 0 FFAFRO C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)COCC(=[NH2+])N1 ZINC000068248416 208745188 /nfs/dbraw/zinc/74/51/88/208745188.db2.gz BBTMSQSMAGSWCB-KRWDZBQOSA-N 1 0 362.792 2.729 1 0 FFAFRO Cn1c2ccc(S(=O)(=O)c3ccccn3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082154284 208949975 /nfs/dbraw/zinc/94/99/75/208949975.db2.gz ICSWGEYUPVMDJL-DOMZBBRYSA-N 1 0 353.447 2.755 1 0 FFAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1ccc(Cl)cn1 ZINC000095578755 209082115 /nfs/dbraw/zinc/08/21/15/209082115.db2.gz OFTPVHUJNOOXJO-ZWKOTPCHSA-N 1 0 356.857 2.565 1 0 FFAFRO O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015065507 211117364 /nfs/dbraw/zinc/11/73/64/211117364.db2.gz OQSBVBNENOAZQE-INIZCTEOSA-N 1 0 354.454 2.906 1 0 FFAFRO CC[NH+](CC)C[C@H](O)COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000002272587 210387867 /nfs/dbraw/zinc/38/78/67/210387867.db2.gz DLYMFOLYIKQMOC-PZJWPPBQSA-N 1 0 363.498 2.700 3 0 FFAFRO CC(C)C[C@@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc43)n2)CC[NH2+]1 ZINC000095583160 132215754 /nfs/dbraw/zinc/21/57/54/132215754.db2.gz MCQPMCDEXWCMDM-CYBMUJFWSA-N 1 0 354.433 2.983 1 0 FFAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c[nH]nc2C1 ZINC000040877201 136120595 /nfs/dbraw/zinc/12/05/95/136120595.db2.gz MNBXINPRAIZJNI-NRFANRHFSA-N 1 0 367.541 2.801 1 0 FFAFRO COc1cccnc1C(=O)C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000096273573 222108577 /nfs/dbraw/zinc/10/85/77/222108577.db2.gz PMCMBOOIDHLTGJ-RTBURBONSA-N 1 0 366.461 2.513 1 0 FFAFRO Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CC[N@@H+]3C2)cc1 ZINC000000601673 526357154 /nfs/dbraw/zinc/35/71/54/526357154.db2.gz QXWNESOGWFJDFR-WMLDXEAASA-N 1 0 360.408 2.734 1 0 FFAFRO C[NH+](C)Cc1cc2nc(-c3cccc(O)c3)nc(N3CCOCC3)c2s1 ZINC000040956416 535992661 /nfs/dbraw/zinc/99/26/61/535992661.db2.gz VHSCMHRRZRZLFR-UHFFFAOYSA-N 1 0 370.478 2.962 1 0 FFAFRO CC[N@@H+]1CCCCCCC[C@H](NC(=O)c2cc3n[nH]nc3cc2OC)C1 ZINC000000578169 210250935 /nfs/dbraw/zinc/25/09/35/210250935.db2.gz KFPRPCFGUGLTDN-AWEZNQCLSA-N 1 0 359.474 2.741 1 0 FFAFRO CO[C@H]1O[C@@H]2c3cc4c(cc3CC[NH2+][C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000034582186 291060906 /nfs/dbraw/zinc/06/09/06/291060906.db2.gz XXNNKVDBGXCFHP-GGPKGHCWSA-N 1 0 369.373 2.747 1 0 biogenic,in-vitro FFAFRO NS(=O)(=O)c1ccc(Nc2nc([C@@H]([NH3+])c3ccccc3)cs2)cc1 ZINC000061930627 212028809 /nfs/dbraw/zinc/02/88/09/212028809.db2.gz KXMLZYLDFUFORY-HNNXBMFYSA-N 1 0 360.464 2.582 3 0 FFAFRO COc1ccc(C2=NN(CC[NH+](C)C)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000026566964 211450822 /nfs/dbraw/zinc/45/08/22/211450822.db2.gz XBAAJWHLDYXCQR-CVEARBPZSA-N 1 0 359.470 2.618 1 0 FFAFRO CCCc1cc(OC)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1O ZINC000013821895 211062153 /nfs/dbraw/zinc/06/21/53/211062153.db2.gz XGLIHZCJAFMECG-AWEZNQCLSA-N 1 0 350.459 2.576 1 0 FFAFRO O=C(CCC[NH+]1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1 ZINC000013536339 211038403 /nfs/dbraw/zinc/03/84/03/211038403.db2.gz AKDIWVSXUDYBMF-UHFFFAOYSA-N 1 0 353.466 2.679 1 0 FFAFRO C[NH+]1CCN(c2cccc(NC(=O)n3sc4ccccc4c3=O)c2)CC1 ZINC000169311123 132261422 /nfs/dbraw/zinc/26/14/22/132261422.db2.gz NTFDHIOBCNIACN-UHFFFAOYSA-N 1 0 368.462 2.895 1 0 FFAFRO O=C1NN=C(c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)[C@H]2C[C@@H]12 ZINC000103260420 222329299 /nfs/dbraw/zinc/32/92/99/222329299.db2.gz HIOMOGJGDYPGSP-RBUKOAKNSA-N 1 0 353.466 2.942 1 0 FFAFRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC ZINC000005650379 210229918 /nfs/dbraw/zinc/22/99/18/210229918.db2.gz CRDCKDWZBHLFAS-OAHLLOKOSA-N 1 0 352.450 2.820 1 0 FFAFRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N[C@@H](CN(C)c1ccccc1)CN2 ZINC000001559599 210227243 /nfs/dbraw/zinc/22/72/43/210227243.db2.gz JPRNYYRJWRLWGZ-GFCCVEGCSA-N 1 0 356.430 2.575 1 0 FFAFRO CN1CCC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C2)C1=O ZINC000012075626 210180908 /nfs/dbraw/zinc/18/09/08/210180908.db2.gz FMXYJXWFDOJFQQ-LJQANCHMSA-N 1 0 358.873 2.970 1 0 FFAFRO CN1CC(=[NH2+])N[C@@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1 ZINC000096929118 222141259 /nfs/dbraw/zinc/14/12/59/222141259.db2.gz YDTKBAVBHFZIQT-GOSISDBHSA-N 1 0 357.845 2.505 1 0 FFAFRO CCCc1cc(=O)[nH]c(-c2cccc(CN3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000020536145 521341230 /nfs/dbraw/zinc/34/12/30/521341230.db2.gz PIFBHUYNBOSBTN-LJQANCHMSA-N 1 0 352.482 2.669 1 0 FFAFRO COC(=O)c1nc2nc(C)c(C[NH3+])c(-c3ccc(Cl)cc3Cl)n2n1 ZINC000058511723 212011861 /nfs/dbraw/zinc/01/18/61/212011861.db2.gz OAUKJLMQNWFXRT-UHFFFAOYSA-N 1 0 366.208 2.652 1 0 FFAFRO CC(C)(C)c1ccc2c(c1)C(=O)c1ccc(C3=[NH+]CCN3)cc1S2(=O)=O ZINC000013755808 211057639 /nfs/dbraw/zinc/05/76/39/211057639.db2.gz DGHNFIBCAGFIJL-UHFFFAOYSA-N 1 0 368.458 2.711 1 0 FFAFRO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000066263516 221243726 /nfs/dbraw/zinc/24/37/26/221243726.db2.gz YHZSTPLUXFUXIB-BLLLJJGKSA-N 1 0 367.852 2.798 1 0 FFAFRO FCCn1ccc2ccc(-c3nnc(N4CC[NH+]5CCC4CC5)o3)cc21 ZINC000068245922 221313977 /nfs/dbraw/zinc/31/39/77/221313977.db2.gz ZRTUGMRLPXGKGZ-UHFFFAOYSA-N 1 0 355.417 2.945 1 0 FFAFRO C[C@@H](Nc1c(=O)c(=O)c1Nc1ccnc(Nc2cc[nH+]cc2)n1)C(C)(C)C ZINC000101595715 222279094 /nfs/dbraw/zinc/27/90/94/222279094.db2.gz GZKFPWYJXLPJBT-LLVKDONJSA-N 1 0 366.425 2.801 1 0 FFAFRO CC(C)[NH2+]C[C@H](O)COc1cccc2[nH]cc(I)c21 ZINC000005760486 210231328 /nfs/dbraw/zinc/23/13/28/210231328.db2.gz LOMQONAZKMLAOB-JTQLQIEISA-N 1 0 374.222 2.510 1 0 FFAFRO COc1cc(C(=O)N[C@H]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1OC ZINC000002012423 210226051 /nfs/dbraw/zinc/22/60/51/210226051.db2.gz QZGOPRYNEGQTLA-BPUTZDHNSA-N 1 0 362.470 2.563 1 0 FFAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@@H]1NCc2ccccc2[C@@H]1c1ccccc1 ZINC000061389380 212025705 /nfs/dbraw/zinc/02/57/05/212025705.db2.gz IGCKSKSSHBPKHO-FDFHNCONSA-N 1 0 362.473 2.928 3 0 in-man FFAFRO Brc1cnn2cc(-c3ccc(N4CC[NH2+]CC4)cc3)cnc12 ZINC000096927000 132226542 /nfs/dbraw/zinc/22/65/42/132226542.db2.gz FDIYMCZJRDDQJK-UHFFFAOYSA-N 1 0 358.243 2.568 1 0 FFAFRO CN(CCc1ccc(I)cc1)CC[NH+]1CCCC1 ZINC000022872587 210235422 /nfs/dbraw/zinc/23/54/22/210235422.db2.gz FHHSUJBNYZMYEI-UHFFFAOYSA-N 1 0 358.267 2.861 1 0 FFAFRO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)c1cc2cc[nH]c2c(C(N)=O)c1 ZINC000006020676 210230298 /nfs/dbraw/zinc/23/02/98/210230298.db2.gz DEXHZSZLIVQAPC-LIRRHRJNSA-N 1 0 351.450 2.911 1 0 FFAFRO CCCCNC(=O)c1ccc2nc(CC)c(N(CC)CC[NH+](C)C)n2c1 ZINC000061908317 212026785 /nfs/dbraw/zinc/02/67/85/212026785.db2.gz OFCDASAQWSHLLP-UHFFFAOYSA-N 1 0 359.518 2.815 3 0 FFAFRO [NH3+][C@H]1CN(c2cc(-c3cccnc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000028823848 211499468 /nfs/dbraw/zinc/49/94/68/211499468.db2.gz MTSSNGDBYNDLCZ-DYVFJYSZSA-N 1 0 371.366 2.887 1 0 FFAFRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)s1 ZINC000012019891 211292525 /nfs/dbraw/zinc/29/25/25/211292525.db2.gz BJQJAHMKCPEHID-QGZVFWFLSA-N 1 0 368.466 2.635 1 0 FFAFRO Cc1ccc(C[NH2+]C[C@H]2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1 ZINC000013775978 211058040 /nfs/dbraw/zinc/05/80/40/211058040.db2.gz DPKPCJJKKOEQBE-GOSISDBHSA-N 1 0 360.479 2.850 1 0 FFAFRO [NH3+][C@@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1 ZINC000013588773 211040447 /nfs/dbraw/zinc/04/04/47/211040447.db2.gz CCVLFWJUTCIGQQ-MRXNPFEDSA-N 1 0 372.428 2.850 1 0 FFAFRO O=C(NCC[N@@H+]1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 ZINC000013443399 211033602 /nfs/dbraw/zinc/03/36/02/211033602.db2.gz CSZLRTXLHDVGDH-WOJBJXKFSA-N 1 0 365.452 2.790 1 0 FFAFRO Cn1cc(-c2cnn3c2nc([C@H]2CCC[NH2+]C2)cc3NC(C)(C)C)cn1 ZINC000066105084 221241908 /nfs/dbraw/zinc/24/19/08/221241908.db2.gz QOXFISGIIGUASU-ZDUSSCGKSA-N 1 0 353.474 2.807 1 0 FFAFRO COc1ccc2sc(N3CC[NH2+]C[C@H]3COc3cccnc3)nc2c1 ZINC000114579450 222502437 /nfs/dbraw/zinc/50/24/37/222502437.db2.gz SDUABLPTWFDAHS-ZDUSSCGKSA-N 1 0 356.451 2.557 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000033895559 210246514 /nfs/dbraw/zinc/24/65/14/210246514.db2.gz NRDFDFBBHZSEKP-BLLLJJGKSA-N 1 0 351.878 2.925 1 0 FFAFRO O=C(c1ccccc1)N1CCC([N@H+]2CCc3cc(O)ccc3[C@H](O)C2)CC1 ZINC000064559385 212040959 /nfs/dbraw/zinc/04/09/59/212040959.db2.gz XZQGWQIWLXSEBC-OAQYLSRUSA-N 1 0 366.461 2.589 1 0 FFAFRO CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4c(c5ccccc5n4[C@@H]2O)CC[NH2+][C@@H]13 ZINC000028368938 211487552 /nfs/dbraw/zinc/48/75/52/211487552.db2.gz JRMOEWHIBBNYTF-RNYDRNSESA-N 1 0 354.450 2.507 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)[C@@]12CC[C@@H]2C ZINC000027744352 211472124 /nfs/dbraw/zinc/47/21/24/211472124.db2.gz PERXRZUOQHGJMN-HLWJFVEESA-N 1 0 351.878 2.827 1 0 FFAFRO Cc1nc(N2CC[NH+](CC[C@H]3NC(=O)c4ccccc43)CC2)sc1C ZINC000013916748 211063098 /nfs/dbraw/zinc/06/30/98/211063098.db2.gz RTOJYNJWSUUREU-QGZVFWFLSA-N 1 0 356.495 2.757 1 0 FFAFRO CC(=O)OCC[S@](=O)C[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013584846 211040515 /nfs/dbraw/zinc/04/05/15/211040515.db2.gz ZUHFHBFMBYNBLT-QDOIMOTRSA-N 1 0 357.903 2.687 1 0 FFAFRO COc1ccccc1C[NH+]1CC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC000003956032 210502219 /nfs/dbraw/zinc/50/22/19/210502219.db2.gz ISVXLZQEJGSTJN-UHFFFAOYSA-N 1 0 351.450 2.828 1 0 FFAFRO CC[NH+]1CCC(n2cc(-c3nnc(-c4cccc(OC)c4)o3)nn2)CC1 ZINC000066103069 221241128 /nfs/dbraw/zinc/24/11/28/221241128.db2.gz DBQHGWPHPUINOK-UHFFFAOYSA-N 1 0 354.414 2.661 1 0 FFAFRO CCn1c(=O)n(C)nc1[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000067934203 221305537 /nfs/dbraw/zinc/30/55/37/221305537.db2.gz MUFICTHCEAOWMU-QGZVFWFLSA-N 1 0 351.454 2.530 1 0 FFAFRO CC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc43)n2)CC[NH2+]1 ZINC000095582416 132215677 /nfs/dbraw/zinc/21/56/77/132215677.db2.gz MCQPMCDEXWCMDM-ZDUSSCGKSA-N 1 0 354.433 2.983 1 0 FFAFRO Cn1c2ccc(S(=O)(=O)c3cccnc3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082154290 221707318 /nfs/dbraw/zinc/70/73/18/221707318.db2.gz XGOQVTSRPAIGHL-WBMJQRKESA-N 1 0 353.447 2.755 1 0 FFAFRO CN1N=C(c2ccc(OC3CC[NH+](C4CCC4)CC3)cc2)[C@H]2C[C@H]2C1=O ZINC000103260448 222329144 /nfs/dbraw/zinc/32/91/44/222329144.db2.gz QLBYNJNJSAHWFL-RBUKOAKNSA-N 1 0 353.466 2.895 1 0 FFAFRO CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)[C@H]3CCC[NH2+]3)c2)nc1N ZINC000103267331 222330999 /nfs/dbraw/zinc/33/09/99/222330999.db2.gz PDHUICBUQPZDFK-CQSZACIVSA-N 1 0 371.441 2.606 1 0 FFAFRO Fc1cccc([C@]2(C[NH+]3CCC(Oc4ncccn4)CC3)CCOC2)c1 ZINC000020821544 526398914 /nfs/dbraw/zinc/39/89/14/526398914.db2.gz GQSRALPCGPABHC-FQEVSTJZSA-N 1 0 357.429 2.817 1 0 FFAFRO NC(=O)c1cc([C@H](O)[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000006093926 210231628 /nfs/dbraw/zinc/23/16/28/210231628.db2.gz SFSYYHIAWBPIFK-DOMZBBRYSA-N 1 0 353.344 2.528 1 0 FFAFRO Cc1ccc(S(=O)(=O)n2cc3c4c2cccc4[C@H](O)[C@@H]([NH+](C)C)C3)cc1 ZINC000013864770 211062970 /nfs/dbraw/zinc/06/29/70/211062970.db2.gz OVDROBGSEQOKQB-ICSRJNTNSA-N 1 0 370.474 2.706 1 0 FFAFRO CCOC(=O)C1(c2ccc(I)cc2)CC[NH+](C)CC1 ZINC000013610051 211042614 /nfs/dbraw/zinc/04/26/14/211042614.db2.gz BNYWEVINFWDOAV-UHFFFAOYSA-N 1 0 373.234 2.818 1 0 FFAFRO c1nc2ncnc(N3CCC4(CC3)C[C@@H](Cc3ccccc3)CC[NH2+]4)c2[nH]1 ZINC000096910996 132226219 /nfs/dbraw/zinc/22/62/19/132226219.db2.gz LJIMRHWLWFNRRU-QGZVFWFLSA-N 1 0 362.481 2.934 1 0 FFAFRO CC[C@H]1Oc2ccccc2N(CC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000004078125 132386345 /nfs/dbraw/zinc/38/63/45/132386345.db2.gz MTUQHNGGEFFKKD-XYJFISCASA-N 1 0 373.497 2.570 1 0 FFAFRO Cc1cc(C)c2[nH]c(C[NH+]3CCC(N4CCOCC4)CC3)cc(=O)c2c1 ZINC000091987147 221822101 /nfs/dbraw/zinc/82/21/01/221822101.db2.gz MKSQWUHHZXPDNY-UHFFFAOYSA-N 1 0 355.482 2.854 1 0 FFAFRO CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCn2cccn2)CC1 ZINC000000603904 219305403 /nfs/dbraw/zinc/30/54/03/219305403.db2.gz DOERHXQKDUFFRK-UHFFFAOYSA-N 1 0 370.497 2.807 1 0 FFAFRO c1cc(-c2nnc(CN3CC[NH+](C4CCCCC4)CC3)o2)cc2c1OCO2 ZINC000020177834 220318600 /nfs/dbraw/zinc/31/86/00/220318600.db2.gz BHNPTPXHTGHFCD-UHFFFAOYSA-N 1 0 370.453 2.916 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)[C@@]12CC[C@@H]2C ZINC000027744335 220547105 /nfs/dbraw/zinc/54/71/05/220547105.db2.gz PERXRZUOQHGJMN-ZKBKOZIGSA-N 1 0 351.878 2.827 1 0 FFAFRO CC1=C(C(=O)N2CCCC2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000057994818 221096520 /nfs/dbraw/zinc/09/65/20/221096520.db2.gz VBLUNVKWAZNGKL-UHFFFAOYSA-N 1 0 354.450 2.517 1 0 FFAFRO NS(=O)(=O)c1ccc(Nc2nc([C@H]([NH3+])c3ccccc3)cs2)cc1 ZINC000061930629 221137488 /nfs/dbraw/zinc/13/74/88/221137488.db2.gz KXMLZYLDFUFORY-OAHLLOKOSA-N 1 0 360.464 2.582 3 0 FFAFRO O=C(c1ccccc1)N1CCC([N@H+]2CCc3cc(O)ccc3[C@@H](O)C2)CC1 ZINC000064559386 221147156 /nfs/dbraw/zinc/14/71/56/221147156.db2.gz XZQGWQIWLXSEBC-NRFANRHFSA-N 1 0 366.461 2.589 1 0 FFAFRO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](NC(=O)c3ccc(C)cc3)C2)CC1 ZINC000068245536 221314519 /nfs/dbraw/zinc/31/45/19/221314519.db2.gz JKJPQSZAVSDSPV-GOSISDBHSA-N 1 0 373.497 2.810 1 0 FFAFRO CCOc1ccc2c(NNS(=O)(=O)c3ccccc3)cc(C)[nH+]c2c1 ZINC000071405062 221346183 /nfs/dbraw/zinc/34/61/83/221346183.db2.gz IRDSKKMPRKTECO-UHFFFAOYSA-N 1 0 357.435 2.669 1 0 FFAFRO Nc1nc2c(oc3ccc(Cl)c(Cl)c32)c(N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000073161864 221559516 /nfs/dbraw/zinc/55/95/16/221559516.db2.gz AATSAEOJLFKJRS-BQBZGAKWSA-N 1 0 350.209 2.816 1 0 FFAFRO C[NH+](C)CCCNC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc21 ZINC000096930086 222142929 /nfs/dbraw/zinc/14/29/29/222142929.db2.gz XIFLODDZTOJMOK-UHFFFAOYSA-N 1 0 354.429 2.910 1 0 FFAFRO CCc1nc2ccccc2n1CCCN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000019851242 522501403 /nfs/dbraw/zinc/50/14/03/522501403.db2.gz GZYOWZPLPMBCST-SFTDATJTSA-N 1 0 370.541 2.910 1 0 FFAFRO O=C(CCc1nc(Cl)n[nH]1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072172583 728210315 /nfs/dbraw/zinc/21/03/15/728210315.db2.gz ZJXJOOWYHQGPCC-CQSZACIVSA-N 1 0 353.898 2.552 1 0 FFAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C(=O)OC)cc2)C1C(=O)OC ZINC000000631161 219306706 /nfs/dbraw/zinc/30/67/06/219306706.db2.gz VFGZNHKDNVFSCL-IYWFSZBXSA-N 1 0 359.378 2.894 1 0 FFAFRO COc1cccc(S(=O)(=O)N2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c1 ZINC000013531267 220072756 /nfs/dbraw/zinc/07/27/56/220072756.db2.gz SIGPAXROBLPQJS-QGZVFWFLSA-N 1 0 366.527 2.970 1 0 FFAFRO C[C@@H](O)[C@H]1C[NH2+]CCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022929254 220404443 /nfs/dbraw/zinc/40/44/43/220404443.db2.gz HEEAFEFXEKSWBC-QMTHXVAHSA-N 1 0 370.337 2.921 3 0 FFAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc(C[S@@](=O)CC2CCCC2)cc1 ZINC000025968992 220502679 /nfs/dbraw/zinc/50/26/79/220502679.db2.gz NEWTVTARTFDJKI-HOYKHHGWSA-N 1 0 353.528 2.863 1 0 FFAFRO COc1cccc2c1c(CC[NH+](C)C)cn2S(=O)(=O)c1ccccc1 ZINC000036093378 220801976 /nfs/dbraw/zinc/80/19/76/220801976.db2.gz GEORPUVVXOBYHO-UHFFFAOYSA-N 1 0 358.463 2.991 1 0 FFAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]C[C@@H]1c1cccnc1 ZINC000049110382 221018887 /nfs/dbraw/zinc/01/88/87/221018887.db2.gz FPYSFTPLUFNAKW-HUUCEWRRSA-N 1 0 368.824 2.518 1 0 FFAFRO C[NH2+]CC1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 ZINC000045368358 132951682 /nfs/dbraw/zinc/95/16/82/132951682.db2.gz VSJIBTMWOISLSW-UHFFFAOYSA-N 1 0 352.486 2.575 1 0 FFAFRO O=C1[C@H]2[C@H](C(=O)N1CC[NH+]1CCCC1)C1c3ccccc3C2c2ccccc21 ZINC000098084142 222227861 /nfs/dbraw/zinc/22/78/61/222227861.db2.gz PJEVYNWMKMULAE-LIKPIUCQSA-N 1 0 372.468 2.974 1 0 FFAFRO O=C1[C@@H]2[C@@H](C(=O)N1CC[NH+]1CCCC1)C1c3ccccc3C2c2ccccc21 ZINC000098084144 222228000 /nfs/dbraw/zinc/22/80/00/222228000.db2.gz PJEVYNWMKMULAE-UJKMTWAASA-N 1 0 372.468 2.974 1 0 FFAFRO O=C1C(=C([O-])c2ccccc2)CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000102988757 222317264 /nfs/dbraw/zinc/31/72/64/222317264.db2.gz JCRNIQHNKNXICD-UTBUEMAESA-N 1 0 352.478 2.981 1 0 FFAFRO CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc1 ZINC000040421640 220907539 /nfs/dbraw/zinc/90/75/39/220907539.db2.gz VGUVLZRMZIOJFF-UHFFFAOYSA-N 1 0 371.384 2.671 1 0 FFAFRO [NH3+]C[C@@H]1CCCc2cc(S(=O)(=O)c3cc(F)cc4nc[nH]c43)ccc21 ZINC000049052208 221017696 /nfs/dbraw/zinc/01/76/96/221017696.db2.gz GEGRUTUYLJXAAU-LBPRGKRZSA-N 1 0 359.426 2.913 1 0 FFAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000049036481 221017793 /nfs/dbraw/zinc/01/77/93/221017793.db2.gz SLRTUQXBTOKZDJ-CABCVRRESA-N 1 0 368.824 2.518 1 0 FFAFRO Cc1nc(N2CC[NH+](CC[C@@H]3NC(=O)c4ccccc43)CC2)sc1C ZINC000053150616 221043083 /nfs/dbraw/zinc/04/30/83/221043083.db2.gz RTOJYNJWSUUREU-KRWDZBQOSA-N 1 0 356.495 2.757 1 0 FFAFRO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3cncc(C(=O)N4CCCCC4)n3)c2O1 ZINC000067872606 221297765 /nfs/dbraw/zinc/29/77/65/221297765.db2.gz ODGPOTUAKZFXCW-AWEZNQCLSA-N 1 0 372.856 2.685 1 0 FFAFRO COc1cccc2c1CCC[C@H]2[NH2+]CCN1CCN(c2ccccn2)CC1 ZINC000022859272 132906927 /nfs/dbraw/zinc/90/69/27/132906927.db2.gz WMEXYJKBXVWCOJ-HXUWFJFHSA-N 1 0 366.509 2.879 1 0 FFAFRO O=C1[C@H]2CCCN2C(=O)N1CCCCC[NH2+]C[C@@H]1CCc2ccccc2O1 ZINC000073277206 221563196 /nfs/dbraw/zinc/56/31/96/221563196.db2.gz ZWHWNKJCWDLNRI-ZWKOTPCHSA-N 1 0 371.481 2.567 1 0 FFAFRO [NH3+][C@H]1C[C@@H](N2Cc3c[nH]nc3C2)CO[C@@H]1c1cc(F)c(Cl)cc1F ZINC000096284064 222110933 /nfs/dbraw/zinc/11/09/33/222110933.db2.gz XIVCZWBCPGNTEN-WKFLNTIRSA-N 1 0 354.788 2.514 1 0 FFAFRO CC[N@@H+]1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@H]1C[C@H](OC)[C@H]2C[C@H]4[C@@H]1C2=O ZINC000085493122 291059313 /nfs/dbraw/zinc/05/93/13/291059313.db2.gz CWTDIQWAPGCRFL-DFNWTWBSSA-N 1 0 359.510 2.608 1 0 biogenic,in-vitro FFAFRO CCOc1ccc(OCC)c(N(C)C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)c1 ZINC000005845197 219702104 /nfs/dbraw/zinc/70/21/04/219702104.db2.gz MFXYIYYEAGBYLS-CYBMUJFWSA-N 1 0 371.485 2.680 1 0 FFAFRO O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CC[NH2+]CC1 ZINC000013588772 220076754 /nfs/dbraw/zinc/07/67/54/220076754.db2.gz BFXROLSTCOFFGC-UHFFFAOYSA-N 1 0 372.428 2.722 1 0 FFAFRO CCCCOc1c(OC)cc(C(=O)NCC(C)(C)[NH+](C)C)cc1OC ZINC000013863598 220098102 /nfs/dbraw/zinc/09/81/02/220098102.db2.gz NLRLSYMMEPIOIP-UHFFFAOYSA-N 1 0 352.475 2.953 1 0 FFAFRO C[N@@H+]1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 ZINC000064539312 221147559 /nfs/dbraw/zinc/14/75/59/221147559.db2.gz NFXFNBIPWUYEIM-WXFUMESZSA-N 1 0 372.468 2.968 1 0 FFAFRO Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)cc3Nc2ccccn2)cn1 ZINC000066101697 221241757 /nfs/dbraw/zinc/24/17/57/221241757.db2.gz JABANGKXVZEAJQ-CQSZACIVSA-N 1 0 374.452 2.735 1 0 FFAFRO Cc1csc2ncnc(N3CCC(Cn4cc(C(C)(C)[NH3+])nn4)CC3)c12 ZINC000048501651 136123682 /nfs/dbraw/zinc/12/36/82/136123682.db2.gz HREJRIXIVPZNFL-UHFFFAOYSA-N 1 0 371.514 2.702 1 0 FFAFRO C[C@@H](c1ccccc1)n1c2ccccc2n2c1nc(N1CC[NH2+]CC1)cc2=O ZINC000095587568 136151098 /nfs/dbraw/zinc/15/10/98/136151098.db2.gz XOILFTDAJVOQGJ-INIZCTEOSA-N 1 0 373.460 2.668 1 0 FFAFRO C[C@]1(c2nc3c(cccc3C(N)=O)[nH]2)CC[N@H+](Cc2ccccc2F)C1 ZINC000040424264 581092467 /nfs/dbraw/zinc/09/24/67/581092467.db2.gz BCCUYXQTHHGUHR-FQEVSTJZSA-N 1 0 352.413 2.965 1 0 FFAFRO COc1cc2c(cc1O)[C@@H]1O[C@@H](OC)c3c4c(ccc3[C@H]1[NH2+]CC2)OCO4 ZINC000033833246 291061912 /nfs/dbraw/zinc/06/19/12/291061912.db2.gz YLUOVOKBMSLYGX-WSTZPKSXSA-N 1 0 371.389 2.733 1 0 biogenic,in-vitro FFAFRO CC(C)(C)c1cc(C=C2OC(NC(N)=[NH2+])=NC2=O)cc(C(C)(C)C)c1O ZINC000013734193 220090849 /nfs/dbraw/zinc/09/08/49/220090849.db2.gz FDKQQLIDPCZUFH-LCYFTJDESA-N 1 0 358.442 2.724 1 0 FFAFRO NC(=O)Nc1sc(-c2ccc(C[NH+]3CCCCC3)cc2)cc1C(N)=O ZINC000034227695 220755799 /nfs/dbraw/zinc/75/57/99/220755799.db2.gz JYHYTJMGGOSNTG-UHFFFAOYSA-N 1 0 358.467 2.991 1 0 FFAFRO COc1cccc(C(=O)Nc2ccc(OCC[NH3+])c(-c3ccnn3C)c2)c1 ZINC000049037342 221017751 /nfs/dbraw/zinc/01/77/51/221017751.db2.gz IKKJKPILQDHCDI-UHFFFAOYSA-N 1 0 366.421 2.686 1 0 FFAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3cccnc3)sc21 ZINC000064559432 221148749 /nfs/dbraw/zinc/14/87/49/221148749.db2.gz JMOTYSUHSWRMJS-LBPRGKRZSA-N 1 0 353.451 2.621 1 0 FFAFRO O=c1[nH]c(CCC[NH+]2CCN(c3ccc(F)cc3)CC2)nc2ccccc21 ZINC000096258420 132224475 /nfs/dbraw/zinc/22/44/75/132224475.db2.gz VKRLDSMSRYWBJD-UHFFFAOYSA-N 1 0 366.440 2.817 1 0 FFAFRO CC1CC[NH+](CCC(=O)N2CCCc3c4cc(O)ccc4oc(=O)c32)CC1 ZINC000003903664 132385978 /nfs/dbraw/zinc/38/59/78/132385978.db2.gz SXMYOKFZRAJOQD-UHFFFAOYSA-N 1 0 370.449 2.900 3 0 FFAFRO O=C(NCC[NH+]1CCCCC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 ZINC000103176210 222323229 /nfs/dbraw/zinc/32/32/29/222323229.db2.gz NUOLCLUVCHILQU-UHFFFAOYSA-N 1 0 371.506 2.533 1 0 FFAFRO CN(CCc1cccc(I)c1)CC[NH+]1CCCC1 ZINC000022872593 220401417 /nfs/dbraw/zinc/40/14/17/220401417.db2.gz ZEXAWTKRIHYTFO-UHFFFAOYSA-N 1 0 358.267 2.861 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000058529308 221120739 /nfs/dbraw/zinc/12/07/39/221120739.db2.gz NRDFDFBBHZSEKP-WBMJQRKESA-N 1 0 351.878 2.925 1 0 FFAFRO Cc1ccccc1Nc1nc(NC(C)(C)C)nc(N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000032523834 220664104 /nfs/dbraw/zinc/66/41/04/220664104.db2.gz IDCDMFSGFJEZAY-KBPBESRZSA-N 1 0 353.474 2.685 1 0 FFAFRO Cc1[nH+]c2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(-n3cncn3)cn2c1C ZINC000040974431 220925791 /nfs/dbraw/zinc/92/57/91/220925791.db2.gz FTQWKXRWLDQPEE-OALUTQOASA-N 1 0 360.421 2.602 1 0 FFAFRO COC(=O)[C@H]1CS[C@H](c2ccc(OCCC[NH+]3CCCCC3)cc2)N1 ZINC000049035765 221017575 /nfs/dbraw/zinc/01/75/75/221017575.db2.gz FVPMMSSRRBTXRI-QZTJIDSGSA-N 1 0 364.511 2.818 1 0 FFAFRO CCOC(OCC)c1cn(C[C@@H]2Cc3c4ccccc4[nH]c3C[NH2+]2)nn1 ZINC000064512091 221147536 /nfs/dbraw/zinc/14/75/36/221147536.db2.gz NUIBQYHQYLVWKR-ZDUSSCGKSA-N 1 0 355.442 2.546 1 0 FFAFRO c1nc2ncnc(N3CCC4(CC[C@H](Cc5ccccc5)C[NH2+]4)CC3)c2[nH]1 ZINC000096910998 132226231 /nfs/dbraw/zinc/22/62/31/132226231.db2.gz YKKDWWUEJJZKOW-QGZVFWFLSA-N 1 0 362.481 2.934 1 0 FFAFRO Nc1cc(N2CCC(C[NH3+])(c3ccc(Cl)c(Cl)c3)CC2)ncn1 ZINC000103238971 132237417 /nfs/dbraw/zinc/23/74/17/132237417.db2.gz COSCWMOBFOBSAO-UHFFFAOYSA-N 1 0 352.269 2.863 1 0 FFAFRO O=C1[C@@H]2CCCCN2C(=O)N1CCCC[NH2+]C[C@@H]1CCc2ccccc2O1 ZINC000073197698 221561034 /nfs/dbraw/zinc/56/10/34/221561034.db2.gz URQVZPKHIUYIDP-ROUUACIJSA-N 1 0 371.481 2.567 1 0 FFAFRO CN1CC(=[NH2+])N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1 ZINC000096929119 222140824 /nfs/dbraw/zinc/14/08/24/222140824.db2.gz YDTKBAVBHFZIQT-SFHVURJKSA-N 1 0 357.845 2.505 1 0 FFAFRO CCCCCC(=O)C[C@@H]1C=CC[C@H]2CC(=O)NCCCC[NH2+]CCCN12 ZINC000013383028 291058922 /nfs/dbraw/zinc/05/89/22/291058922.db2.gz RKTWGMYTKBSCLV-OALUTQOASA-N 1 0 363.546 2.805 1 0 biogenic,in-vitro FFAFRO CC[C@H](c1nnnn1Cc1cccs1)N1CC[NH+](C2CCCC2)CC1 ZINC000019500693 220263819 /nfs/dbraw/zinc/26/38/19/220263819.db2.gz ATAPSLWJMJTOLG-QGZVFWFLSA-N 1 0 360.531 2.794 3 0 FFAFRO C[NH+](C)CCc1c(Br)[nH]c2ccc(C[C@@H]3COC(=O)N3)cc21 ZINC000026396164 220510200 /nfs/dbraw/zinc/51/02/00/220510200.db2.gz PYGMMJMIGDWLCY-LLVKDONJSA-N 1 0 366.259 2.685 1 0 FFAFRO CC[NH+](CC)CC(=O)N[C@H]1c2cccnc2COc2ccc(OC)cc21 ZINC000026830995 220525065 /nfs/dbraw/zinc/52/50/65/220525065.db2.gz WPFOKSDUXZHRMO-FQEVSTJZSA-N 1 0 355.438 2.530 1 0 FFAFRO Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c3N)cn1 ZINC000060327276 221129515 /nfs/dbraw/zinc/12/95/15/221129515.db2.gz BPTHRKUALRLORQ-OAHLLOKOSA-N 1 0 373.464 2.846 1 0 FFAFRO Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4[nH+]ccn4c3)CC2)c1 ZINC000095567582 132215424 /nfs/dbraw/zinc/21/54/24/132215424.db2.gz VUCLMZUURJYABZ-UHFFFAOYSA-N 1 0 366.494 2.865 1 0 FFAFRO C[NH+]1CCN(c2ccc(NC(=O)n3sc4ccccc4c3=O)cc2)CC1 ZINC000169311124 132261582 /nfs/dbraw/zinc/26/15/82/132261582.db2.gz NIUOGTJWGTVIAX-UHFFFAOYSA-N 1 0 368.462 2.895 1 0 FFAFRO Cn1cc(-c2ccc(CN3c4ccccc4[C@](C)([NH3+])C3=O)c(F)c2)cn1 ZINC000095594030 221967527 /nfs/dbraw/zinc/96/75/27/221967527.db2.gz HNLZRNCTZZQAHS-FQEVSTJZSA-N 1 0 350.397 2.947 1 0 FFAFRO CC(C)NC(=O)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000096064910 222010965 /nfs/dbraw/zinc/01/09/65/222010965.db2.gz FORATGYRGRHDRG-NSISKUIASA-N 1 0 353.466 2.739 1 0 FFAFRO Cc1cccc(C)c1NC(=O)C1(N(C)C)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000001846433 204021492 /nfs/dbraw/zinc/02/14/92/204021492.db2.gz MFKCGXDCHAFQQZ-OALUTQOASA-N 1 0 373.541 2.942 1 0 in-man FFAFRO Cc1ccc(C[NH2+]C[C@@H]2CCc3ccc(NS(C)(=O)=O)cc3O2)cc1 ZINC000013775977 204553756 /nfs/dbraw/zinc/55/37/56/204553756.db2.gz DPKPCJJKKOEQBE-SFHVURJKSA-N 1 0 360.479 2.850 1 0 FFAFRO O=C(NN1CC[NH+](CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 ZINC000039219484 205045117 /nfs/dbraw/zinc/04/51/17/205045117.db2.gz JXSCKPQRVQGVHV-UHFFFAOYSA-N 1 0 366.440 2.812 1 0 FFAFRO Nc1cccc2c1C[C@@H](O)[C@H]([NH+]1CCC(C(=O)c3cccs3)CC1)C2 ZINC000049073114 205169398 /nfs/dbraw/zinc/16/93/98/205169398.db2.gz RAGSKQFVYVAEMF-QZTJIDSGSA-N 1 0 356.491 2.753 1 0 FFAFRO O=C1C[C@@H]2CCc3cc(OC4CC[NH+](C5CCC5)CC4)ccc3C2=NN1 ZINC000084670691 205658986 /nfs/dbraw/zinc/65/89/86/205658986.db2.gz HATYSQMZVOJUBT-HNNXBMFYSA-N 1 0 353.466 2.869 1 0 FFAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(N4CCSCC4)cc(c32)C1=O ZINC000040862562 136120591 /nfs/dbraw/zinc/12/05/91/136120591.db2.gz SFJSJTXGOGHESG-UHFFFAOYSA-N 1 0 369.490 2.551 1 0 FFAFRO [NH3+]CCn1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000003927100 204116340 /nfs/dbraw/zinc/11/63/40/204116340.db2.gz GHFZBISJZYICNU-UHFFFAOYSA-N 1 0 369.368 2.847 1 0 FFAFRO CC[NH+](CC)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O ZINC000013644870 204541947 /nfs/dbraw/zinc/54/19/47/204541947.db2.gz TWNRXMZBBMQYIO-UHFFFAOYSA-N 1 0 354.458 2.985 1 0 FFAFRO CNC(=O)c1ccc(-c2noc(-c3ccc4[nH]cc(CC[NH3+])c4c3)n2)cc1 ZINC000013827471 204554724 /nfs/dbraw/zinc/55/47/24/204554724.db2.gz UYWUGXNJCFVCQO-UHFFFAOYSA-N 1 0 361.405 2.746 1 0 FFAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(/C=C/CO)cc1Br ZINC000040465872 205071559 /nfs/dbraw/zinc/07/15/59/205071559.db2.gz QRUKZUGKPVCVEB-MUBLQREKSA-N 1 0 358.276 2.582 1 0 FFAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]C[C@H]1c1ccccn1 ZINC000049036803 205169316 /nfs/dbraw/zinc/16/93/16/205169316.db2.gz IKQJYEKVFJCZMM-ZIAGYGMSSA-N 1 0 368.824 2.518 1 0 FFAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]1C[NH2+]C[C@H]1c1cccnc1 ZINC000049110376 205170861 /nfs/dbraw/zinc/17/08/61/205170861.db2.gz FPYSFTPLUFNAKW-GJZGRUSLSA-N 1 0 368.824 2.518 1 0 FFAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@H]1NCc2ccccc2[C@@H]1c1ccccc1 ZINC000061389373 205286870 /nfs/dbraw/zinc/28/68/70/205286870.db2.gz IGCKSKSSHBPKHO-FKBYEOEOSA-N 1 0 362.473 2.928 3 0 in-man FFAFRO CC(C)C[C@H]1CNC(=O)C(=O)N1CC1CC[NH+](CCC(C)(C)C)CC1 ZINC000061936100 205289330 /nfs/dbraw/zinc/28/93/30/205289330.db2.gz ZGAKKXXDDSEZHD-KRWDZBQOSA-N 1 0 351.535 2.508 3 0 FFAFRO CN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2([NH3+])Cc1c2ccccc2[nH]c1[C@@H]3O5 ZINC000058482426 205275974 /nfs/dbraw/zinc/27/59/74/205275974.db2.gz WWWFZTYANOYXAV-LMDOGRNLSA-N 1 0 373.456 2.759 1 0 FFAFRO Nc1c(Br)c([C@@H]2CCC[NH2+]C2)nc2c(-c3ccoc3)cnn21 ZINC000060328034 221129256 /nfs/dbraw/zinc/12/92/56/221129256.db2.gz UUXLORHYMYNKFC-SECBINFHSA-N 1 0 362.231 2.801 1 0 FFAFRO c1nc2ncnc(N3CCC4(CC3)C[C@H](Cc3ccccc3)CC[NH2+]4)c2[nH]1 ZINC000096910995 132226359 /nfs/dbraw/zinc/22/63/59/132226359.db2.gz LJIMRHWLWFNRRU-KRWDZBQOSA-N 1 0 362.481 2.934 1 0 FFAFRO COc1cc(C[C@@H]2CNC(=[NH2+])N=C2N)cc(OC)c1OCc1ccccc1 ZINC000013757766 581096223 /nfs/dbraw/zinc/09/62/23/581096223.db2.gz SYIHNGNHJAJYQL-OAHLLOKOSA-N 1 0 368.437 2.546 1 0 FFAFRO [NH3+]CCn1cc(S(=O)(=O)c2cccc3ccccc32)c2cccnc21 ZINC000003927097 204116498 /nfs/dbraw/zinc/11/64/98/204116498.db2.gz IQEJNMFCUWSNIB-UHFFFAOYSA-N 1 0 351.431 2.981 1 0 FFAFRO COc1cc(Br)cc2c1O[C@H]1C(=O)C[C@H]3C[C@@]21CC[N@@H+]3C ZINC000006018034 204233674 /nfs/dbraw/zinc/23/36/74/204233674.db2.gz GRTJJLDQBHAIRY-HNHYXYPQSA-N 1 0 352.228 2.524 1 0 FFAFRO COc1cc2c(c(OC)c1OC)-c1ccc(N(C)C)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000006437359 204248378 /nfs/dbraw/zinc/24/83/78/204248378.db2.gz QLWPRMAGTWQOGJ-HNNXBMFYSA-N 1 0 370.449 2.752 1 0 FFAFRO NC(=[NH2+])Nc1ccc([C@@H]2CC/C(=C\I)OC2=O)cc1 ZINC000013651062 204541193 /nfs/dbraw/zinc/54/11/93/204541193.db2.gz CGPGVVPPKRKSTH-HUYFXPKMSA-N 1 0 371.178 2.689 1 0 FFAFRO Oc1ccc2c(c1)OC[C@@H]([NH+]1CCC(O)(CCc3ccccc3)CC1)[C@H]2O ZINC000013779262 204553598 /nfs/dbraw/zinc/55/35/98/204553598.db2.gz PPHXECRMOFFCMH-CTNGQTDRSA-N 1 0 369.461 2.646 1 0 FFAFRO CNc1nc(N2CCC[C@@H]2C[NH+]2CCN(C)CC2)nc2ccc(Cl)cc21 ZINC000040828842 205081887 /nfs/dbraw/zinc/08/18/87/205081887.db2.gz WCLMWQNKAQWYQD-OAHLLOKOSA-N 1 0 374.920 2.541 1 0 FFAFRO CC(C)(C)[NH2+]C[C@H](O)COc1ccc(/C=C/CO)cc1Br ZINC000040465871 205072284 /nfs/dbraw/zinc/07/22/84/205072284.db2.gz QRUKZUGKPVCVEB-IHVVCDCBSA-N 1 0 358.276 2.582 1 0 FFAFRO [NH3+]CCNc1cccc2c(S(=O)(=O)c3cccc4ccccc43)n[nH]c21 ZINC000066111578 205364758 /nfs/dbraw/zinc/36/47/58/205364758.db2.gz QYCVGIKLACULSQ-UHFFFAOYSA-N 1 0 366.446 2.920 1 0 FFAFRO CC[NH+](CC)C[C@H](O)COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000002272589 204030923 /nfs/dbraw/zinc/03/09/23/204030923.db2.gz DLYMFOLYIKQMOC-FPOVZHCZSA-N 1 0 363.498 2.700 3 0 FFAFRO COc1ccc2c(c1)c(CC[NH+](C)C)c1n2S(=O)(=O)c2ccccc2-1 ZINC000038895000 205044705 /nfs/dbraw/zinc/04/47/05/205044705.db2.gz QNPXKWNLROHCNC-UHFFFAOYSA-N 1 0 356.447 2.971 1 0 FFAFRO FC(F)(F)c1cccc(-c2nnc3ccc(N[C@H]4CCC[NH2+]C4)nn32)c1 ZINC000040955901 205085937 /nfs/dbraw/zinc/08/59/37/205085937.db2.gz RZPHTCAOYGPVSZ-ZDUSSCGKSA-N 1 0 362.359 2.974 1 0 FFAFRO C[C@@H](CON1C(=N)NC(=[NH2+])NC1(C)C)Cc1ccc(Cl)cc1Cl ZINC000045192191 205117674 /nfs/dbraw/zinc/11/76/74/205117674.db2.gz BHDZOHITMCDRIX-SECBINFHSA-N 1 0 358.273 2.785 1 0 FFAFRO Nc1cccc2c1C[C@@H]([NH+]1CCC(C(=O)c3ccc(F)cc3)CC1)[C@H](O)C2 ZINC000049072092 205168226 /nfs/dbraw/zinc/16/82/26/205168226.db2.gz UJVVWLDFOHEJIT-NHCUHLMSSA-N 1 0 368.452 2.831 1 0 FFAFRO O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@@H]1C[NH2+]C[C@@H]1c1ccncc1 ZINC000049036479 205169059 /nfs/dbraw/zinc/16/90/59/205169059.db2.gz SLRTUQXBTOKZDJ-HUUCEWRRSA-N 1 0 368.824 2.518 1 0 FFAFRO Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CC[NH2+]CC4)cc3)ccc12 ZINC000058590580 205277474 /nfs/dbraw/zinc/27/74/74/205277474.db2.gz OOJBJQUQEZPXMG-UHFFFAOYSA-N 1 0 373.460 2.556 1 0 FFAFRO C[NH+]1CCN(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)CC1 ZINC000066259600 205365858 /nfs/dbraw/zinc/36/58/58/205365858.db2.gz SFBGOEWONWATMZ-UHFFFAOYSA-N 1 0 355.463 2.630 1 0 FFAFRO CCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Br)cc1 ZINC000072106330 205467235 /nfs/dbraw/zinc/46/72/35/205467235.db2.gz WBWFDFRZXABYFZ-QGZVFWFLSA-N 1 0 363.279 2.987 1 0 FFAFRO CNC(=O)c1ccc(Oc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)nn1 ZINC000103242306 205990244 /nfs/dbraw/zinc/99/02/44/205990244.db2.gz VBSPBTHOEWKBCA-UHFFFAOYSA-N 1 0 352.438 2.582 1 0 FFAFRO CC[NH+](CC)CC(=O)Nc1ccc([C@H]2NC(=O)Cc3ccccc32)cc1 ZINC000169338238 206251542 /nfs/dbraw/zinc/25/15/42/206251542.db2.gz OLUXLGVTBBWECY-OAQYLSRUSA-N 1 0 351.450 2.729 1 0 FFAFRO CC(C)[NH+]1CCN(c2nc(N)nc3[nH]c(-c4ccc(F)cc4)cc32)CC1 ZINC000095593339 132215934 /nfs/dbraw/zinc/21/59/34/132215934.db2.gz MUQZYZOPNWVRRI-UHFFFAOYSA-N 1 0 354.433 2.877 1 0 FFAFRO C[NH+](C)CCCC(=O)Nc1nnc2[n-][nH+]c(-c3cccc(F)c3F)cc1-2 ZINC000013489662 204532889 /nfs/dbraw/zinc/53/28/89/204532889.db2.gz KPVCGFZWGAYXMV-UHFFFAOYSA-N 1 0 360.368 2.578 1 0 FFAFRO Cn1cc2c(n1)Nc1ccc(F)cc1N=C2N1CC[NH+](CC2CC2)CC1 ZINC000026576073 204853429 /nfs/dbraw/zinc/85/34/29/204853429.db2.gz ZEBMXWFZKAPFND-UHFFFAOYSA-N 1 0 354.433 2.722 1 0 FFAFRO CNc1nc(N2CCC[C@H]2C[NH+]2CCN(C)CC2)nc2ccc(Cl)cc21 ZINC000040828844 205081507 /nfs/dbraw/zinc/08/15/07/205081507.db2.gz WCLMWQNKAQWYQD-HNNXBMFYSA-N 1 0 374.920 2.541 1 0 FFAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000040465124 205072215 /nfs/dbraw/zinc/07/22/15/205072215.db2.gz RJPAZWDGQKZNNL-PZJWPPBQSA-N 1 0 355.409 2.699 1 0 FFAFRO COc1ccc(-c2cc(=O)c3cc(CN4CC[NH2+]CC4)ccc3o2)cc1 ZINC000045245477 205119336 /nfs/dbraw/zinc/11/93/36/205119336.db2.gz VGXSTGHOAOPDBY-UHFFFAOYSA-N 1 0 350.418 2.874 1 0 FFAFRO CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CC[NH2+]CC3)cn1 ZINC000049014028 205167976 /nfs/dbraw/zinc/16/79/76/205167976.db2.gz OQBHXYORJFPRAU-UHFFFAOYSA-N 1 0 374.506 2.779 1 0 FFAFRO CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2[C@@H]2CCC[NH2+]2)n[nH]1 ZINC000049050828 205168181 /nfs/dbraw/zinc/16/81/81/205168181.db2.gz BOCYZSUKEUEUKP-LBPRGKRZSA-N 1 0 368.466 2.769 1 0 FFAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(Br)c(C)cc(O)c1OC ZINC000064453432 205299030 /nfs/dbraw/zinc/29/90/30/205299030.db2.gz WPPXGSPIOUEOGW-NSHDSACASA-N 1 0 371.275 2.686 1 0 FFAFRO O=C(O[C@H]1CC(=O)N2C[C@@H]3CCC[N@H+]4CCC[C@H]([C@H]2C1)[C@H]34)c1ccccc1 ZINC000066078300 205362962 /nfs/dbraw/zinc/36/29/62/205362962.db2.gz FEUJGSXHEUINDU-MERXZDIISA-N 1 0 368.477 2.707 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000169300960 206249166 /nfs/dbraw/zinc/24/91/66/206249166.db2.gz NRDFDFBBHZSEKP-LRDDRELGSA-N 1 0 351.878 2.925 1 0 FFAFRO CC[N@H+](CCO)[C@@H]1c2ccccc2N(C(=O)c2ccc(C)cc2)[C@H](C)[C@@H]1O ZINC000096941841 132226917 /nfs/dbraw/zinc/22/69/17/132226917.db2.gz IZOARWHJKXCMQB-HBGVWJBISA-N 1 0 368.477 2.760 1 0 FFAFRO C[C@H](c1ccccc1)n1c2ccccc2n2c1nc(N1CC[NH2+]CC1)cc2=O ZINC000095587569 136151068 /nfs/dbraw/zinc/15/10/68/136151068.db2.gz XOILFTDAJVOQGJ-MRXNPFEDSA-N 1 0 373.460 2.668 1 0 FFAFRO CC(=O)c1cccc(-c2ccc3c(c2)nc(N)nc3N2CC[NH+](C)CC2)c1 ZINC000073223157 534883444 /nfs/dbraw/zinc/88/34/44/534883444.db2.gz HBESLNGLGWHLLL-UHFFFAOYSA-N 1 0 361.449 2.833 1 0 FFAFRO O=C(CCc1nc(Cl)n[nH]1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000072172582 728210122 /nfs/dbraw/zinc/21/01/22/728210122.db2.gz ZJXJOOWYHQGPCC-AWEZNQCLSA-N 1 0 353.898 2.552 1 0 FFAFRO CC[C@H]1N(C)C(=O)COC12CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC000027989126 204871259 /nfs/dbraw/zinc/87/12/59/204871259.db2.gz XPOYPEGICVZFLM-LJQANCHMSA-N 1 0 355.482 2.812 1 0 FFAFRO NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000040401193 205069177 /nfs/dbraw/zinc/06/91/77/205069177.db2.gz MUMLSZXBXFEQAV-HNNXBMFYSA-N 1 0 370.478 2.730 1 0 FFAFRO COc1ccc([C@H](O)[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000040563722 205071506 /nfs/dbraw/zinc/07/15/06/205071506.db2.gz KLRIVPGGWAEQKR-PMACEKPBSA-N 1 0 359.422 2.641 1 0 FFAFRO O=S1(=O)N(CC[NH+]2CCCCCC2)CCN1c1cccc(Cl)c1 ZINC000049110670 205170923 /nfs/dbraw/zinc/17/09/23/205170923.db2.gz VRQBYXDBZXNLRA-UHFFFAOYSA-N 1 0 357.907 2.583 1 0 FFAFRO O[C@H](c1cn(C[C@@H]2Cc3c4ccccc4[nH]c3C[NH2+]2)nn1)c1ccccc1 ZINC000064527325 205299609 /nfs/dbraw/zinc/29/96/09/205299609.db2.gz HHWGAUPNJVJTKG-BTYIYWSLSA-N 1 0 359.433 2.556 1 0 FFAFRO CC(C)c1cc(C(=O)N2Cc3ccc(OCC[NH3+])cc3C2)c(O)cc1O ZINC000058547931 205276745 /nfs/dbraw/zinc/27/67/45/205276745.db2.gz AOPZUOIZRHXLCT-UHFFFAOYSA-N 1 0 356.422 2.715 1 0 FFAFRO COc1ccc2nc(N3CC[NH2+]C[C@@H]3COc3cccnc3)sc2c1 ZINC000114573480 206094011 /nfs/dbraw/zinc/09/40/11/206094011.db2.gz OVJTVDMKFSMIMQ-CYBMUJFWSA-N 1 0 356.451 2.557 1 0 FFAFRO O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1F)[C@@H]1CCCC[NH2+]1 ZINC000169302635 206248892 /nfs/dbraw/zinc/24/88/92/206248892.db2.gz LNOUDWPQEHYKOB-CVEARBPZSA-N 1 0 360.408 2.786 1 0 FFAFRO O=c1c2ccccc2nc(CSC2=[NH+]CCN2)n1-c1ccccc1F ZINC000169316425 206250440 /nfs/dbraw/zinc/25/04/40/206250440.db2.gz IBFLDECNNQXWNU-UHFFFAOYSA-N 1 0 354.410 2.717 1 0 FFAFRO CCCCC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000169334052 206251655 /nfs/dbraw/zinc/25/16/55/206251655.db2.gz QTEQBQFVPQQSDK-INIZCTEOSA-N 1 0 350.459 2.756 1 0 FFAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(N4CCCCC4)cc(c32)C1=O ZINC000040859897 136120612 /nfs/dbraw/zinc/12/06/12/136120612.db2.gz HJKSZQRXLYAOCL-UHFFFAOYSA-N 1 0 351.450 2.988 1 0 FFAFRO O[C@@H](C[NH+]1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 ZINC000103464864 728497126 /nfs/dbraw/zinc/49/71/26/728497126.db2.gz OKSUXSKEZHORAD-INIZCTEOSA-N 1 0 362.271 2.700 1 0 FFAFRO COCC[C@@H]1C[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000003951608 204117525 /nfs/dbraw/zinc/11/75/25/204117525.db2.gz DTJQBBHYRQYDEG-RLHIPHHXSA-N 1 0 368.477 2.882 1 0 FFAFRO O=C(Cc1ccccn1)N1CC[C@@H](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012387807 204841638 /nfs/dbraw/zinc/84/16/38/204841638.db2.gz JHLZFZFMVNLURA-HXUWFJFHSA-N 1 0 364.493 2.780 1 0 FFAFRO Cc1cnc2c(NCC[NH3+])nc3cc(-c4ccc(CO)cc4)sc3n12 ZINC000028950727 204892765 /nfs/dbraw/zinc/89/27/65/204892765.db2.gz OMEUMFAZGUZQCO-UHFFFAOYSA-N 1 0 353.451 2.782 1 0 FFAFRO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4nccs4)n[nH]c2-3)CC1 ZINC000040565943 205071889 /nfs/dbraw/zinc/07/18/89/205071889.db2.gz XXTICJCISXSXOC-UHFFFAOYSA-N 1 0 351.479 2.852 1 0 FFAFRO Cn1c2ccc(S(=O)(=O)c3cccc(N)c3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000073198750 205568471 /nfs/dbraw/zinc/56/84/71/205568471.db2.gz FMGVKMYXCXDASO-DYVFJYSZSA-N 1 0 367.474 2.943 1 0 FFAFRO O=C1c2cccc3c2c(nn3CCN2CC[NH2+]CC2)-c2cccc(Cl)c21 ZINC000082153970 205646401 /nfs/dbraw/zinc/64/64/01/205646401.db2.gz YGZMSSQJSOSLPO-UHFFFAOYSA-N 1 0 366.852 2.806 1 0 FFAFRO O=c1oc2cccnc2n1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001855833 132377558 /nfs/dbraw/zinc/37/75/58/132377558.db2.gz GCOPOUOKRHYMGX-UHFFFAOYSA-N 1 0 352.438 2.592 1 0 FFAFRO O=C1C(=C([O-])c2ccccc2)CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000102988755 222316694 /nfs/dbraw/zinc/31/66/94/222316694.db2.gz JCRNIQHNKNXICD-YHDCXSKOSA-N 1 0 352.478 2.981 1 0 FFAFRO CC[C@@](O)(CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1 ZINC000013730906 536022843 /nfs/dbraw/zinc/02/28/43/536022843.db2.gz YYTBMHOKZFPJNJ-HXUWFJFHSA-N 1 0 358.461 2.816 1 0 FFAFRO COc1ccc(-c2nc(N3CC[NH2+]CC3)nc3ccccc32)c(OC)c1 ZINC000040875252 536525037 /nfs/dbraw/zinc/52/50/37/536525037.db2.gz CXOPQFMERMSLHZ-UHFFFAOYSA-N 1 0 350.422 2.724 1 0 FFAFRO C[NH2+]Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)nc2)c1 ZINC000043128445 205101025 /nfs/dbraw/zinc/10/10/25/205101025.db2.gz ILSSYGYBMIPSAV-UHFFFAOYSA-N 1 0 357.435 2.515 1 0 FFAFRO NC(=O)c1cc([C@H](O)C[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000169334898 206252184 /nfs/dbraw/zinc/25/21/84/206252184.db2.gz KAJMGOVCKGGONI-MEBBXXQBSA-N 1 0 367.371 2.918 1 0 FFAFRO CCCC(O)=C1C[C@@H]2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CC[N@@H+]3C)[C@@H](O5)C1=O ZINC000195064165 206329820 /nfs/dbraw/zinc/32/98/20/206329820.db2.gz XXYXPBFLSNTPKS-DJTPWJCASA-N 1 0 369.461 2.529 1 0 FFAFRO Cc1ccc(S(=O)(=O)n2cc3c4c2cccc4N2CC[NH2+]C[C@@H]2C3)cc1 ZINC000118362912 132248021 /nfs/dbraw/zinc/24/80/21/132248021.db2.gz XDPLLMUFCKSYAJ-INIZCTEOSA-N 1 0 367.474 2.521 1 0 FFAFRO C[NH+]1CCN(c2ccccc2NC(=O)n2sc3ccccc3c2=O)CC1 ZINC000169311122 536424217 /nfs/dbraw/zinc/42/42/17/536424217.db2.gz UDLCAAPHUXGYDD-UHFFFAOYSA-N 1 0 368.462 2.895 1 0 FFAFRO COc1cc2[nH+]c3c(c(N)c2cc1OC)C[C@@H](CNC(=O)c1ccoc1)C3 ZINC000103218941 209249248 /nfs/dbraw/zinc/24/92/48/209249248.db2.gz MXFRFAKAWOQMMJ-LLVKDONJSA-N 1 0 367.405 2.572 1 0 FFAFRO CCOc1ccc(OCC)c(NC[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)c1 ZINC000005845211 207118655 /nfs/dbraw/zinc/11/86/55/207118655.db2.gz HGKWDWXLYOQMCF-GFCCVEGCSA-N 1 0 357.458 2.655 1 0 FFAFRO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000012225231 207349891 /nfs/dbraw/zinc/34/98/91/207349891.db2.gz JLCSYEGSHHPTKD-FQEVSTJZSA-N 1 0 363.454 2.655 1 0 FFAFRO COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000039438941 208210895 /nfs/dbraw/zinc/21/08/95/208210895.db2.gz VTFNJDHZVZDGIG-STQMWFEESA-N 1 0 351.878 2.925 1 0 FFAFRO Cc1ccccc1S(=O)(=O)n1cc2c3c1cccc3N1CC[NH2+]C[C@@H]1C2 ZINC000169350410 132261773 /nfs/dbraw/zinc/26/17/73/132261773.db2.gz VXWKZRBIKLRWCS-INIZCTEOSA-N 1 0 367.474 2.521 1 0 FFAFRO Nc1ccc(-c2ccc3c(n[nH]c3-c3ccc(N4CC[NH2+]CC4)cc3)n2)cn1 ZINC000073129474 136149890 /nfs/dbraw/zinc/14/98/90/136149890.db2.gz VCQDBNAIHKPRHL-UHFFFAOYSA-N 1 0 371.448 2.679 1 0 FFAFRO C[N@@H+]1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2nccnc2c1=O ZINC000095561249 209081137 /nfs/dbraw/zinc/08/11/37/209081137.db2.gz DGZLHXBKGBELTQ-OAHLLOKOSA-N 1 0 369.856 2.525 1 0 FFAFRO C[NH+](C)Cc1ccc2c(c1)N(c1nc3c(s1)C(=O)NC(C)(C)C3)CCO2 ZINC000040395591 536021594 /nfs/dbraw/zinc/02/15/94/536021594.db2.gz WBZSSAWCKRYULA-UHFFFAOYSA-N 1 0 372.494 2.800 1 0 FFAFRO CC(=O)Nc1ccc2nc3c(c(C)nn3C)c(NCCC[NH+](C)C)c2c1 ZINC000146401306 209381645 /nfs/dbraw/zinc/38/16/45/209381645.db2.gz KLWHEHHBYXFKHV-UHFFFAOYSA-N 1 0 354.458 2.752 1 0 FFAFRO NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000040862432 208273306 /nfs/dbraw/zinc/27/33/06/208273306.db2.gz OCLKNWCGOVQNMO-LBPRGKRZSA-N 1 0 362.430 2.527 1 0 FFAFRO COc1ccc([C@H](O)[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC ZINC000040563728 208256354 /nfs/dbraw/zinc/25/63/54/208256354.db2.gz KLRIVPGGWAEQKR-UXHICEINSA-N 1 0 359.422 2.641 1 0 FFAFRO O=C(c1ccccn1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000061969199 136132716 /nfs/dbraw/zinc/13/27/16/136132716.db2.gz UQBUXXIHBYSWHP-LJQANCHMSA-N 1 0 350.466 2.508 3 0 FFAFRO COc1cc2c(cc1O)[C@@H]1O[C@H](OC)c3c4c(ccc3[C@H]1[NH2+]CC2)OCO4 ZINC000033833248 291062452 /nfs/dbraw/zinc/06/24/52/291062452.db2.gz YLUOVOKBMSLYGX-HBFSDRIKSA-N 1 0 371.389 2.733 1 0 biogenic,in-vitro FFAFRO CC[NH+](CC)[C@@H](C)CN1CCc2c3cc(OC)c(OC)cc3oc(=O)c2C1 ZINC000027746025 207940882 /nfs/dbraw/zinc/94/08/82/207940882.db2.gz KLVLQWBDRZLXSP-AWEZNQCLSA-N 1 0 374.481 2.899 1 0 FFAFRO O[C@](Cc1ccccc1Br)(c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000036093136 208144649 /nfs/dbraw/zinc/14/46/49/208144649.db2.gz IXXMPCPWTWLRBY-ZWKOTPCHSA-N 1 0 362.267 2.868 1 0 FFAFRO CS(=O)(=O)N1C[C@@H]2CC=C(c3ccc(CC[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000040894888 208275191 /nfs/dbraw/zinc/27/51/91/208275191.db2.gz YITYYVMGNRMBSO-AZUAARDMSA-N 1 0 360.523 2.620 1 0 FFAFRO COC(=O)[C@@]12CC[C@]3(C=CC[N@@H+]4CC[C@@]5(c6ccc(OC)cc6N[C@@H]15)[C@@H]43)C2 ZINC000095912650 291060652 /nfs/dbraw/zinc/06/06/52/291060652.db2.gz GVHHWISFNJFBGN-HJWIKWMHSA-N 1 0 366.461 2.715 1 0 biogenic,in-vitro FFAFRO CCN([C@H]1CC[C@H]([C@H]([NH3+])Cc2cc(F)ccc2F)CC1)S(C)(=O)=O ZINC000101403184 209224671 /nfs/dbraw/zinc/22/46/71/209224671.db2.gz HTQUXMHARCVJED-ISTRZQFTSA-N 1 0 360.470 2.675 1 0 FFAFRO Cn1cccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000003955886 206995900 /nfs/dbraw/zinc/99/59/00/206995900.db2.gz OBKBGTZPICBCBT-UHFFFAOYSA-N 1 0 352.482 2.939 1 0 FFAFRO C[NH+]1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1 ZINC000026725886 207920709 /nfs/dbraw/zinc/92/07/09/207920709.db2.gz SVRAGOOKTLUHES-UHFFFAOYSA-N 1 0 352.417 2.995 1 0 FFAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(I)c1)[NH2+]2 ZINC000036270851 208152231 /nfs/dbraw/zinc/15/22/31/208152231.db2.gz GPTFOAJWBIXTMY-MQYQWHSLSA-N 1 0 371.218 2.688 1 0 FFAFRO C[NH+]1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289032 208152452 /nfs/dbraw/zinc/15/24/52/208152452.db2.gz UZJBMSVTHSAMOG-UHFFFAOYSA-N 1 0 351.410 2.589 1 0 FFAFRO CC(=O)OCC[S@@](=O)C[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000036271559 208152582 /nfs/dbraw/zinc/15/25/82/208152582.db2.gz ZUHFHBFMBYNBLT-JCEJCQQGSA-N 1 0 357.903 2.687 1 0 FFAFRO NC(=O)c1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000040873580 208273210 /nfs/dbraw/zinc/27/32/10/208273210.db2.gz OUOLOWFYQLLGNP-BAGYTPMASA-N 1 0 354.494 2.759 1 0 FFAFRO NC(=[NH2+])c1ccc(Cn2c3ccc(C(=O)c4ccccc4)cc3[nH]c2=O)cc1 ZINC000040584865 208256990 /nfs/dbraw/zinc/25/69/90/208256990.db2.gz LNESRRKWAJIYNK-UHFFFAOYSA-N 1 0 370.412 2.893 1 0 FFAFRO C[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCCC[C@@H]2C(=O)NCc1ccccc1 ZINC000045245887 208329160 /nfs/dbraw/zinc/32/91/60/208329160.db2.gz VQEHUSZRPBZZLV-JSGCOSHPSA-N 1 0 372.494 2.555 1 0 FFAFRO Cc1cccc(Nc2nc(N[C@@H]3CCC[NH2+]C3)nc3cc[nH]c(=O)c32)c1 ZINC000045324203 208329903 /nfs/dbraw/zinc/32/99/03/208329903.db2.gz AHCXENWSIKCTSI-CQSZACIVSA-N 1 0 350.426 2.534 1 0 FFAFRO CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CC[NH2+]1 ZINC000084758313 132199024 /nfs/dbraw/zinc/19/90/24/132199024.db2.gz FDFNBRWULOMEEQ-ZDUSSCGKSA-N 1 0 373.888 2.768 1 0 FFAFRO C[NH+](C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 ZINC000003040608 535889946 /nfs/dbraw/zinc/88/99/46/535889946.db2.gz RQDBLQLYVNVNTB-UHFFFAOYSA-N 1 0 369.490 2.617 1 0 FFAFRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1 ZINC000013588775 581098083 /nfs/dbraw/zinc/09/80/83/581098083.db2.gz XINNQVHBRVROQD-MRXNPFEDSA-N 1 0 372.428 2.768 1 0 FFAFRO CCC[N@@H+]1C[C@@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224207 209249770 /nfs/dbraw/zinc/24/97/70/209249770.db2.gz DUNOZWJTXYEGAT-KVSKMBFKSA-N 1 0 361.873 2.889 1 0 FFAFRO CCOc1ccc(OCC)c(NC[C@H]2CCc3[nH+]c(N)nc(N)c3C2)c1 ZINC000005845224 207119653 /nfs/dbraw/zinc/11/96/53/207119653.db2.gz HGKWDWXLYOQMCF-LBPRGKRZSA-N 1 0 357.458 2.655 1 0 FFAFRO Nc1nonc1-c1nc2c(ccnc2-c2ccccc2)n1C1CC[NH2+]CC1 ZINC000006718923 207156026 /nfs/dbraw/zinc/15/60/26/207156026.db2.gz OLFZIZSWSTWVDA-UHFFFAOYSA-N 1 0 361.409 2.655 1 0 FFAFRO CC[NH+](CC)CCCCN1C(=O)C[C@]2(CCCc3cc(O)ccc32)C1=O ZINC000027617641 207936029 /nfs/dbraw/zinc/93/60/29/207936029.db2.gz ICFVIORGSMWJHS-NRFANRHFSA-N 1 0 358.482 2.847 1 0 FFAFRO COCCNc1nc(C)nc2c(-c3c(C)cc(N(C)C)[nH+]c3C)c(C)nn21 ZINC000040913619 208274919 /nfs/dbraw/zinc/27/49/19/208274919.db2.gz KPAYJFLMBSTEAN-UHFFFAOYSA-N 1 0 369.473 2.544 1 0 FFAFRO CC(C)n1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2 ZINC000040374651 208249438 /nfs/dbraw/zinc/24/94/38/208249438.db2.gz KPYLTXHXALSGPG-VDZJLULYSA-N 1 0 356.466 2.718 1 0 FFAFRO [NH3+][C@@H](C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1)c1ccc(Cl)cc1 ZINC000028891630 136153536 /nfs/dbraw/zinc/15/35/36/136153536.db2.gz GFJJIBKQWYQEJL-GOSISDBHSA-N 1 0 369.856 2.565 1 0 FFAFRO NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCCO4)c3O)nc2cc1F ZINC000013444372 581096640 /nfs/dbraw/zinc/09/66/40/581096640.db2.gz YLUBBMAMBPRAKF-SNVBAGLBSA-N 1 0 370.384 2.916 1 0 FFAFRO CO[C@H]1O[C@H]2c3cc4c(cc3CC[NH2+][C@@H]2c2ccc3c(c21)OCO3)OCO4 ZINC000085837379 291061293 /nfs/dbraw/zinc/06/12/93/291061293.db2.gz XXNNKVDBGXCFHP-HBFSDRIKSA-N 1 0 369.373 2.747 1 0 biogenic,in-vitro FFAFRO O=C1[C@@H]2[C@@H](C(=O)N1CC1CC[NH2+]CC1)C1c3ccccc3C2c2ccccc21 ZINC000098082197 209204942 /nfs/dbraw/zinc/20/49/42/209204942.db2.gz AZNTUSCWIJJAIH-UJKMTWAASA-N 1 0 372.468 2.878 1 0 FFAFRO CC[C@H](NC(=O)c1c(OC)ccc(Br)c1OC)[C@@H]1CCC[NH2+]1 ZINC000005923156 207123728 /nfs/dbraw/zinc/12/37/28/207123728.db2.gz JFRVWLWCXBTSHH-RYUDHWBXSA-N 1 0 371.275 2.727 3 0 in-vitro FFAFRO Cc1cc(CNCc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)on1 ZINC000012440915 207378817 /nfs/dbraw/zinc/37/88/17/207378817.db2.gz QLHCHBQAZKIPKY-IBGZPJMESA-N 1 0 373.497 2.889 1 0 FFAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cn1 ZINC000034089683 208102295 /nfs/dbraw/zinc/10/22/95/208102295.db2.gz RGRWYCYUUQCYCB-LLVKDONJSA-N 1 0 358.364 2.618 1 0 FFAFRO CC[C@@]1(O)c2ccc(C(=O)N3CCN(C)CC3)cc2Oc2ccc(F)cc21 ZINC000045367584 208331831 /nfs/dbraw/zinc/33/18/31/208331831.db2.gz LPEOCEBBOVEJDF-OAQYLSRUSA-N 1 0 370.424 2.965 1 0 FFAFRO Cc1ccccc1[C@H]1CC[N@H+](C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O ZINC000045498036 208333727 /nfs/dbraw/zinc/33/37/27/208333727.db2.gz UECVBKMBWUTOOU-DBOLQNLKSA-N 1 0 352.478 2.836 1 0 FFAFRO Cc1ccccc1S(=O)(=O)n1cc2c3c1cccc3N1CC[NH2+]C[C@H]1C2 ZINC000169350411 132261744 /nfs/dbraw/zinc/26/17/44/132261744.db2.gz VXWKZRBIKLRWCS-MRXNPFEDSA-N 1 0 367.474 2.521 1 0 FFAFRO O=C(N[C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1)c1cccc(Cl)n1 ZINC000095578137 209081907 /nfs/dbraw/zinc/08/19/07/209081907.db2.gz OVWAOLNXIDXPGM-FUHWJXTLSA-N 1 0 356.857 2.565 1 0 FFAFRO O[C@H](C[NH+]1CCN(c2ccccn2)CC1)c1ccc(Br)cc1 ZINC000103464865 728497266 /nfs/dbraw/zinc/49/72/66/728497266.db2.gz OKSUXSKEZHORAD-MRXNPFEDSA-N 1 0 362.271 2.700 1 0 FFAFRO Clc1cnc2nc(N3CC[NH2+]C[C@@H]3COc3cccnc3)sc2c1 ZINC000114581098 209340314 /nfs/dbraw/zinc/34/03/14/209340314.db2.gz OEEVLYURDVGDRZ-GFCCVEGCSA-N 1 0 361.858 2.597 1 0 FFAFRO COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cn1 ZINC000103260625 209250700 /nfs/dbraw/zinc/25/07/00/209250700.db2.gz CWSMIDDZDWUJJY-UHFFFAOYSA-N 1 0 351.410 2.868 1 0 FFAFRO Cc1cc(C(=O)N2C[C@H]3[C@H](C[N@H+](C)CCc4ccccn4)[C@H]3C2)c(C)o1 ZINC000102674006 209239068 /nfs/dbraw/zinc/23/90/68/209239068.db2.gz ZGPVOWVCJTTXJF-OWZKRDHZSA-N 1 0 353.466 2.784 1 0 FFAFRO NC1=[NH+][C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)C[C@H]2COC1 ZINC000096929369 209162594 /nfs/dbraw/zinc/16/25/94/209162594.db2.gz HOPLUAKMYRGQPD-YPMLDQLKSA-N 1 0 374.803 2.729 1 0 FFAFRO CC(=O)Nc1nc(CCc2ccc(CCc3c[nH]c(N)[nH+]3)cc2)cs1 ZINC000096271639 209148594 /nfs/dbraw/zinc/14/85/94/209148594.db2.gz AEIIDPFLJZBBFK-UHFFFAOYSA-N 1 0 355.467 2.977 1 0 FFAFRO [NH3+]CCn1cc(S(=O)(=O)c2ccccc2C(F)(F)F)c2cccnc21 ZINC000003927098 206997075 /nfs/dbraw/zinc/99/70/75/206997075.db2.gz COKJEENNHXAWIT-UHFFFAOYSA-N 1 0 369.368 2.847 1 0 FFAFRO COc1ccc2c(c1)OC[C@@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O ZINC000036011792 208139550 /nfs/dbraw/zinc/13/95/50/208139550.db2.gz GMWLCSUIZDDHPL-QUCCMNQESA-N 1 0 373.424 2.612 1 0 FFAFRO C[NH2+]C[C@@H](O)[C@H](c1ccccc1)n1c2ccccc2n(C(C)(C)C)c1=O ZINC000043120047 208302877 /nfs/dbraw/zinc/30/28/77/208302877.db2.gz IZHREGYJHUWQHR-MOPGFXCFSA-N 1 0 353.466 2.728 1 0 FFAFRO CN(CC[NH3+])CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000045284423 208329448 /nfs/dbraw/zinc/32/94/48/208329448.db2.gz DYCKRAROOWWZRW-UHFFFAOYSA-N 1 0 354.841 2.792 1 0 FFAFRO [NH3+][C@H](C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1)c1ccc(Cl)cc1 ZINC000028891635 136153518 /nfs/dbraw/zinc/15/35/18/136153518.db2.gz GFJJIBKQWYQEJL-SFHVURJKSA-N 1 0 369.856 2.565 1 0 FFAFRO CCCN1CC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)OCC1=O ZINC000027979454 207944194 /nfs/dbraw/zinc/94/41/94/207944194.db2.gz SWUIOIMFTISPRN-UHFFFAOYSA-N 1 0 355.482 2.814 1 0 FFAFRO COc1ccc(CCn2nnn[n+]2C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000038149897 208197698 /nfs/dbraw/zinc/19/76/98/208197698.db2.gz JIIFXXCFPWAGOZ-UHFFFAOYSA-N 1 0 364.473 2.838 1 0 FFAFRO Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)cc3NC(C)(C)C)cn1 ZINC000066105081 208696559 /nfs/dbraw/zinc/69/65/59/208696559.db2.gz QOXFISGIIGUASU-CYBMUJFWSA-N 1 0 353.474 2.807 1 0 FFAFRO Cc1cccc(C)c1NC(=O)C1(N(C)C)CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000095564687 209080781 /nfs/dbraw/zinc/08/07/81/209080781.db2.gz MFKCGXDCHAFQQZ-RBUKOAKNSA-N 1 0 373.541 2.942 1 0 in-man FFAFRO CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2cc[nH+]cc2)n1 ZINC000095594905 209084145 /nfs/dbraw/zinc/08/41/45/209084145.db2.gz NCBDOQFSGNRAHL-AWEZNQCLSA-N 1 0 355.446 2.975 1 0 FFAFRO CC(=O)c1cccc(-c2cccc3c2nc(N)nc3N2CC[NH+](C)CC2)c1 ZINC000073220157 534883906 /nfs/dbraw/zinc/88/39/06/534883906.db2.gz DSTNEAOJRGCBHS-UHFFFAOYSA-N 1 0 361.449 2.833 1 0 FFAFRO CC[C@H](NC(=O)c1c(OC)ccc(Br)c1OC)[C@H]1CCC[NH2+]1 ZINC000005923181 210232009 /nfs/dbraw/zinc/23/20/09/210232009.db2.gz JFRVWLWCXBTSHH-NWDGAFQWSA-N 1 0 371.275 2.727 3 0 in-vitro FFAFRO O=C(NCCCC[NH2+]CCCNC(=O)c1ccccc1)c1ccccc1 ZINC000005834317 210180334 /nfs/dbraw/zinc/18/03/34/210180334.db2.gz LMCPFFPDMJWFKE-UHFFFAOYSA-N 1 0 353.466 2.606 3 0 FFAFRO C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2C[NH2+]C1CCCC1 ZINC000085547849 291063625 /nfs/dbraw/zinc/06/36/25/291063625.db2.gz DULRAFVTZYWWOW-JXGGLGGMSA-N 1 0 352.478 2.692 1 0 biogenic,in-vitro FFAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)c(Br)cc(O)c1OC ZINC000064436705 212037383 /nfs/dbraw/zinc/03/73/83/212037383.db2.gz JBTWIOSSOYSZSK-NSHDSACASA-N 1 0 371.275 2.686 1 0 FFAFRO C[NH2+][C@@H]1CCN(c2nc(N)nc3c2oc2cccc(C(F)(F)F)c23)C1 ZINC000073165499 221559229 /nfs/dbraw/zinc/55/92/29/221559229.db2.gz UAVONERZWNDZBW-MRVPVSSYSA-N 1 0 351.332 2.775 1 0 FFAFRO CC1(C)[C@@H]2CC[C@@]1([C@@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C(=O)C2 ZINC000169333723 535037600 /nfs/dbraw/zinc/03/76/00/535037600.db2.gz VDGABWROYPUGDF-JJXUHFIVSA-N 1 0 360.473 2.704 1 0 FFAFRO C[N@@H+]1CCC=C([C@H]2CN(C(=S)Nc3ccc(Cl)cc3)CCO2)C1 ZINC000040875874 211762711 /nfs/dbraw/zinc/76/27/11/211762711.db2.gz ZSLAVOGAFBWDPB-MRXNPFEDSA-N 1 0 351.903 3.000 1 0 FFAFRO COc1ccc(C(=O)c2c3cc(OC)c(OC)c(OC)c3cc[n+]2C)cc1 ZINC000001628777 210361976 /nfs/dbraw/zinc/36/19/76/210361976.db2.gz HBDHLAUGMWWGET-UHFFFAOYSA-N 1 0 368.409 2.930 1 0 FFAFRO C[NH+](C)CCCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21 ZINC000001532995 210358756 /nfs/dbraw/zinc/35/87/56/210358756.db2.gz OLIZFKQQLAJDBF-UHFFFAOYSA-N 1 0 371.872 2.820 1 0 FFAFRO COc1cccc2c1CCC[C@@H]2[NH2+]CCN1CCN(c2ccccn2)CC1 ZINC000022778519 132906637 /nfs/dbraw/zinc/90/66/37/132906637.db2.gz WMEXYJKBXVWCOJ-FQEVSTJZSA-N 1 0 366.509 2.879 1 0 FFAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000040893895 136120487 /nfs/dbraw/zinc/12/04/87/136120487.db2.gz LHOJVHKKDRWEEV-OAQYLSRUSA-N 1 0 367.541 2.801 1 0 in-vivo FFAFRO [NH3+][C@@H](C(=O)N1CCN(c2ccc3n[nH]cc3c2)CC1)c1cccc(Cl)c1 ZINC000028891639 136153495 /nfs/dbraw/zinc/15/34/95/136153495.db2.gz VVJKDHDXWRSOBK-GOSISDBHSA-N 1 0 369.856 2.565 1 0 FFAFRO Nc1nc2c(c(NCc3nccs3)n1)CC[N@H+](CC1CCCC1)CC2 ZINC000072470748 728210707 /nfs/dbraw/zinc/21/07/07/728210707.db2.gz SPTJBYSDDWEIMI-UHFFFAOYSA-N 1 0 358.515 2.718 1 0 FFAFRO C[NH2+][C@H]1CCc2cc(OC)c(O)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000006068336 210178715 /nfs/dbraw/zinc/17/87/15/210178715.db2.gz KEOVUWFJHROWNK-AWEZNQCLSA-N 1 0 357.406 2.652 1 0 FFAFRO Cc1cc2c(cc1C)CC([NH2+]C[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 ZINC000049073202 211884143 /nfs/dbraw/zinc/88/41/43/211884143.db2.gz PWAAGHQFYYZZAX-FQEVSTJZSA-N 1 0 364.445 2.641 1 0 FFAFRO [NH3+]CCNc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc43)c2c1 ZINC000035000155 211628120 /nfs/dbraw/zinc/62/81/20/211628120.db2.gz RQOKMHCTFHXXMM-UHFFFAOYSA-N 1 0 366.446 2.920 1 0 FFAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2ccc[nH]2)n1 ZINC000084671479 132199173 /nfs/dbraw/zinc/19/91/73/132199173.db2.gz ZKCVRCSUKUWOBG-UHFFFAOYSA-N 1 0 353.451 2.800 1 0 FFAFRO C[NH2+][C@@H]1CCN(c2nc(N)nc3c4cc(C(F)(F)F)ccc4oc32)C1 ZINC000073169507 221560580 /nfs/dbraw/zinc/56/05/80/221560580.db2.gz SGVHAMXFQVQZHT-SECBINFHSA-N 1 0 351.332 2.775 1 0 FFAFRO COc1ccc(C(=O)C2CC[NH+]([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 ZINC000096273574 222108524 /nfs/dbraw/zinc/10/85/24/222108524.db2.gz GSCBLXZNTKMGDD-WOJBJXKFSA-N 1 0 366.461 2.513 1 0 FFAFRO O[C@@H]1[C@@H](OCC2CCC2)C=C2CC[N@@H+]3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103268981 222331082 /nfs/dbraw/zinc/33/10/82/222331082.db2.gz CBNLHJHICAYIHR-UWHLTILDSA-N 1 0 355.434 2.573 1 0 FFAFRO CC(C)Nc1cc(-c2cc(-c3cn[nH]c3)cc(N3CC[NH2+]CC3)n2)ccn1 ZINC000058575883 535291219 /nfs/dbraw/zinc/29/12/19/535291219.db2.gz VWVQWSIGDZWPIL-UHFFFAOYSA-N 1 0 363.469 2.764 1 0 FFAFRO C[N@H+](CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1 ZINC000027096606 581097373 /nfs/dbraw/zinc/09/73/73/581097373.db2.gz AWVBRIUURRAPDO-UHFFFAOYSA-N 1 0 351.454 2.665 1 0 FFAFRO O=S(=O)(c1cn([C@@H]2CCC[NH2+]C2)c2ncccc12)c1ccccc1F ZINC000028862355 211499875 /nfs/dbraw/zinc/49/98/75/211499875.db2.gz RBISNFWRLAJWTP-CYBMUJFWSA-N 1 0 359.426 2.933 1 0 FFAFRO CCCc1cc(=O)[nH]c(-c2ccccc2C[N@H+](C)CCn2cccn2)n1 ZINC000023581076 211391425 /nfs/dbraw/zinc/39/14/25/211391425.db2.gz FYWAMCSDTNOXQK-UHFFFAOYSA-N 1 0 351.454 2.718 1 0 FFAFRO Cc1ccccc1-n1cc(C2=CC[N@H+](CCN3CCOCC3)CC2)cn1 ZINC000065403313 221212493 /nfs/dbraw/zinc/21/24/93/221212493.db2.gz XPVGDLYRPAJBOZ-UHFFFAOYSA-N 1 0 352.482 2.602 1 0 FFAFRO Cn1c2ccc(S(=O)(=O)c3ccncc3)cc2c2c1C[C@H]1CC[C@@H]2[NH2+]1 ZINC000082154300 221707083 /nfs/dbraw/zinc/70/70/83/221707083.db2.gz ZYXCONLULJQDHW-WBMJQRKESA-N 1 0 353.447 2.755 1 0 FFAFRO COC(=O)c1cc(NC(C)=O)cnc1N1CCC([NH2+]C2CCCCC2)CC1 ZINC000169304601 536564866 /nfs/dbraw/zinc/56/48/66/536564866.db2.gz BOZWSLSLVQFFIA-UHFFFAOYSA-N 1 0 374.485 2.718 1 0 FFAFRO COc1c2ccoc2c(OC)c(OCC[NH+]2CCCCC2)c1NC(N)=O ZINC000029405214 210242081 /nfs/dbraw/zinc/24/20/81/210242081.db2.gz WGVNQYROYYMDFQ-UHFFFAOYSA-N 1 0 363.414 2.805 1 0 FFAFRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC ZINC000005650383 210228690 /nfs/dbraw/zinc/22/86/90/210228690.db2.gz CRDCKDWZBHLFAS-HNNXBMFYSA-N 1 0 352.450 2.820 1 0 FFAFRO O=C1CCOC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372637 211218942 /nfs/dbraw/zinc/21/89/42/211218942.db2.gz LNDJJHHAZNLXBY-FPOVZHCZSA-N 1 0 354.425 2.700 1 0 FFAFRO C[C@H](C[NH+]1CCC(n2cc(C(=O)N3CCCC3)nn2)CC1)c1ccccc1 ZINC000014992422 211112289 /nfs/dbraw/zinc/11/22/89/211112289.db2.gz JXJZWZRJDNQKPT-QGZVFWFLSA-N 1 0 367.497 2.955 1 0 FFAFRO COc1ccc2c(c1)[C@H](CC[NH+](C)C)CN2S(=O)(=O)c1ccccc1 ZINC000013864764 211064137 /nfs/dbraw/zinc/06/41/37/211064137.db2.gz LWEWWHJJZIXSLB-OAHLLOKOSA-N 1 0 360.479 2.939 1 0 FFAFRO C[C@H](O)[C@H]1C[NH+]=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662163 211046079 /nfs/dbraw/zinc/04/60/79/211046079.db2.gz JMZJFYUZEADBKF-QPUJVOFHSA-N 1 0 369.309 2.646 3 0 FFAFRO C[NH+](C)CCc1c(Br)[nH]c2ccc(C[C@H]3COC(=O)N3)cc21 ZINC000013605882 211042642 /nfs/dbraw/zinc/04/26/42/211042642.db2.gz PYGMMJMIGDWLCY-NSHDSACASA-N 1 0 366.259 2.685 1 0 FFAFRO Nc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cc[nH+]cc2)c1 ZINC000095596957 132216002 /nfs/dbraw/zinc/21/60/02/132216002.db2.gz ZALJAJYXGAILHE-UHFFFAOYSA-N 1 0 374.448 2.652 1 0 FFAFRO Nc1nc2c(oc3cccc(C(F)(F)F)c32)c(N2CCC[C@H]([NH3+])C2)n1 ZINC000073165788 136149953 /nfs/dbraw/zinc/14/99/53/136149953.db2.gz BNAXSGLGACVHDB-QMMMGPOBSA-N 1 0 351.332 2.905 1 0 FFAFRO [NH2+]=C1COC[C@@H]2C[C@]2(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N1 ZINC000096929106 222141578 /nfs/dbraw/zinc/14/15/78/222141578.db2.gz DRVIBCIMXKJHGG-KPZWWZAWSA-N 1 0 356.813 2.590 1 0 FFAFRO C/C=C1\C[N@H+]2CC[C@]34c5ccccc5-n5c3c(cc(C(=O)OC)c5=O)[C@H]1C[C@H]24 ZINC000103227600 222326152 /nfs/dbraw/zinc/32/61/52/222326152.db2.gz HSXBTRCQXBSTBV-XBPOLAHKSA-N 1 0 374.440 2.745 1 0 FFAFRO CC[NH+](CC)C[C@@H](O)Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000103253505 222328768 /nfs/dbraw/zinc/32/87/68/222328768.db2.gz RVXYJDHJRGVGDC-OAHLLOKOSA-N 1 0 357.479 2.828 1 0 FFAFRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H](CCc3ccccc3C)C2)CC1 ZINC000020167865 521673261 /nfs/dbraw/zinc/67/32/61/521673261.db2.gz XXSYTWNGCLAEQA-FQEVSTJZSA-N 1 0 357.542 2.804 1 0 FFAFRO O[C@@H]1CN(Cc2cccn2-c2cccnc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000011818639 210101855 /nfs/dbraw/zinc/10/18/55/210101855.db2.gz JDSXIMIGDRPHME-NHCUHLMSSA-N 1 0 354.498 2.684 1 0 FFAFRO O=S(=O)(c1n[nH]c2ccc(NC3CC[NH2+]CC3)cc21)c1cccc(F)c1 ZINC000035278977 211630565 /nfs/dbraw/zinc/63/05/65/211630565.db2.gz CPKIICBVUILMAR-UHFFFAOYSA-N 1 0 374.441 2.699 1 0 FFAFRO O=C(CCC[NH+]1CCCC1)Nc1nnc2[n-][nH+]c(-c3ccccc3)cc1-2 ZINC000013489657 211035722 /nfs/dbraw/zinc/03/57/22/211035722.db2.gz FVWBAHQOQFMWPU-UHFFFAOYSA-N 1 0 350.426 2.834 1 0 FFAFRO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc(OC)c1OC ZINC000004388431 210528622 /nfs/dbraw/zinc/52/86/22/210528622.db2.gz DPZUOKSTXUEZST-ZXFUBFMLSA-N 1 0 374.481 2.990 3 0 FFAFRO O=c1oc2ncccc2n1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000001534102 132377611 /nfs/dbraw/zinc/37/76/11/132377611.db2.gz GYRCQIYMEWZSFZ-UHFFFAOYSA-N 1 0 352.438 2.592 1 0 FFAFRO O=C([C@@H]1CCCN(c2cc[nH+]cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000033128839 136117464 /nfs/dbraw/zinc/11/74/64/136117464.db2.gz PPBXERHBLGQSKB-QGZVFWFLSA-N 1 0 368.456 2.786 1 0 FFAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2c[nH]nc2C1 ZINC000040877197 136120629 /nfs/dbraw/zinc/12/06/29/136120629.db2.gz MNBXINPRAIZJNI-OAQYLSRUSA-N 1 0 367.541 2.801 1 0 FFAFRO CC(C)c1cccc(NC(=O)c2cncc(N3C[C@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000073166343 221560140 /nfs/dbraw/zinc/56/01/40/221560140.db2.gz STEGDORTCWIWKF-IYBDPMFKSA-N 1 0 351.454 2.508 1 0 FFAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3cccc(N)c3)sc21 ZINC000064559256 212040800 /nfs/dbraw/zinc/04/08/00/212040800.db2.gz KQSPUGNLKRGKDL-ZDUSSCGKSA-N 1 0 367.478 2.808 1 0 FFAFRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc(Cl)c1OC ZINC000012204137 249317132 /nfs/dbraw/zinc/31/71/32/249317132.db2.gz HLQYKWWOQUTYBR-SFHVURJKSA-N 1 0 352.862 2.802 1 0 FFAFRO Cc1cnc2c(NCC[NH3+])nc3cc(-c4ccccc4CO)sc3n12 ZINC000028950724 211503053 /nfs/dbraw/zinc/50/30/53/211503053.db2.gz XGFBARHKTYXMCA-UHFFFAOYSA-N 1 0 353.451 2.782 1 0 FFAFRO [NH3+]CCOCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2 ZINC000028377023 211488433 /nfs/dbraw/zinc/48/84/33/211488433.db2.gz PHMHLMDLVDNVJG-UHFFFAOYSA-N 1 0 353.850 2.989 1 0 FFAFRO CC(C)[NH2+]C[C@@H](O)COc1ccc(OCCn2cnc3ccccc32)cc1 ZINC000027559473 211467260 /nfs/dbraw/zinc/46/72/60/211467260.db2.gz RORZNHPFFOHRHS-QGZVFWFLSA-N 1 0 369.465 2.853 1 0 FFAFRO Cc1cc(C)n(-c2cc(NC(=O)CC[NH+](C)C)nc(-c3ccc(C)o3)n2)n1 ZINC000014975582 211111072 /nfs/dbraw/zinc/11/10/72/211111072.db2.gz AACWUFIIMOHGSO-UHFFFAOYSA-N 1 0 368.441 2.738 1 0 FFAFRO CCOC(=O)CC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OC)C1 ZINC000013475008 211036344 /nfs/dbraw/zinc/03/63/44/211036344.db2.gz DBQZRVQSIMTCRY-CVEARBPZSA-N 1 0 353.846 2.872 1 0 FFAFRO [NH3+]Cc1cc(=O)oc2cc(OS(=O)(=O)c3cccc(Cl)c3)ccc12 ZINC000095581781 221962954 /nfs/dbraw/zinc/96/29/54/221962954.db2.gz UIHTWLPAFBPXMI-UHFFFAOYSA-N 1 0 365.794 2.673 1 0 FFAFRO Cc1ccc(C(=O)C2CC[NH+]([C@@H]3Cc4ccccc4C[C@H]3O)CC2)cn1 ZINC000096273575 222108946 /nfs/dbraw/zinc/10/89/46/222108946.db2.gz UFQVFENMKGBUDA-NHCUHLMSSA-N 1 0 350.462 2.813 1 0 FFAFRO O=C([O-])COc1ccc(Cl)cc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072165540 728210146 /nfs/dbraw/zinc/21/01/46/728210146.db2.gz OLYJMNALFPMJKE-UHFFFAOYSA-N 1 0 352.862 2.769 1 0 FFAFRO NC(=O)c1cc([C@@H](O)[C@H]2CCCC[NH2+]2)c2cccc(C(F)(F)F)c2n1 ZINC000006093931 210232121 /nfs/dbraw/zinc/23/21/21/210232121.db2.gz SFSYYHIAWBPIFK-IUODEOHRSA-N 1 0 353.344 2.528 1 0 FFAFRO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1cc2cc[nH]c2c(C(N)=O)c1 ZINC000006036496 210231227 /nfs/dbraw/zinc/23/12/27/210231227.db2.gz DEXHZSZLIVQAPC-KUHUBIRLSA-N 1 0 351.450 2.911 1 0 FFAFRO NC(=O)c1cnc(N[C@H]2CCC[NH2+]C2)c2cc(-c3ccncc3)sc21 ZINC000064550084 212038849 /nfs/dbraw/zinc/03/88/49/212038849.db2.gz BFNCPOVPMNPESI-LBPRGKRZSA-N 1 0 353.451 2.621 1 0 FFAFRO COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCC[NH2+]1 ZINC000038987023 211706822 /nfs/dbraw/zinc/70/68/22/211706822.db2.gz KYFGACYORZGXNM-CHWSQXEVSA-N 1 0 359.207 2.690 1 0 FFAFRO Fc1cccc([C@@]2(C[NH+]3CCN(Cc4ccncc4)CC3)CCOC2)c1 ZINC000019789732 211255697 /nfs/dbraw/zinc/25/56/97/211255697.db2.gz DSCABZWAXJUBNP-OAQYLSRUSA-N 1 0 355.457 2.697 1 0 FFAFRO CCCCCCOc1c(OC)cc(C[C@H]2CNC(=[NH2+])N=C2N)cc1OC ZINC000013757747 211058414 /nfs/dbraw/zinc/05/84/14/211058414.db2.gz RCAKBZPOARPETR-AWEZNQCLSA-N 1 0 362.474 2.507 1 0 FFAFRO [NH3+]C1CCN(c2nc(-c3ccnc4[nH]ccc43)cnc2N2CCCC2)CC1 ZINC000045356125 132951897 /nfs/dbraw/zinc/95/18/97/132951897.db2.gz PCXZUHDSZDJCNG-UHFFFAOYSA-N 1 0 363.469 2.548 1 0 FFAFRO O=c1c2ccccc2ncn1CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000028866106 136153507 /nfs/dbraw/zinc/15/35/07/136153507.db2.gz XRXVZFVFIDKFOR-UHFFFAOYSA-N 1 0 362.477 2.999 1 0 FFAFRO C[NH+](C)CCCNCc1cc(O)c(Br)cc1Br ZINC000103269971 222330589 /nfs/dbraw/zinc/33/05/89/222330589.db2.gz WOZVLBMIKCZADT-UHFFFAOYSA-N 1 0 366.097 2.959 1 0 FFAFRO COc1cc2[nH+]c3c(c(N)c2cc1OC)C[C@H](CNC(=O)c1ccco1)C3 ZINC000013528631 220072406 /nfs/dbraw/zinc/07/24/06/220072406.db2.gz XFNOYNVDQOQPCY-NSHDSACASA-N 1 0 367.405 2.572 1 0 FFAFRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc(Cl)c1OC ZINC000012204140 249317204 /nfs/dbraw/zinc/31/72/04/249317204.db2.gz HLQYKWWOQUTYBR-GOSISDBHSA-N 1 0 352.862 2.802 1 0 FFAFRO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](C3CCOCC3)C1)CC2 ZINC000022919812 220404078 /nfs/dbraw/zinc/40/40/78/220404078.db2.gz KDGONKJIBJFTKR-LJQANCHMSA-N 1 0 360.498 2.705 1 0 FFAFRO CC(C)[NH+](CCCNC(=O)CN1C[C@H](c2ccccc2)CC1=O)C(C)C ZINC000027752617 220546790 /nfs/dbraw/zinc/54/67/90/220546790.db2.gz VGLXIOYNWVFQPC-LJQANCHMSA-N 1 0 359.514 2.628 1 0 FFAFRO CN(CC[NH+](C)C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049089444 221019531 /nfs/dbraw/zinc/01/95/31/221019531.db2.gz WUIPOKWUCKPSLZ-UHFFFAOYSA-N 1 0 373.460 2.935 1 0 FFAFRO [NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3nc[nH]c32)CC1 ZINC000029052241 136153630 /nfs/dbraw/zinc/15/36/30/136153630.db2.gz ZJJCEVJPCBDRSR-UHFFFAOYSA-N 1 0 356.861 2.794 1 0 FFAFRO O=C1[C@H]2[C@@H](C(=O)N1CC[NH+]1CCCC1)C1c3ccccc3C2c2ccccc21 ZINC000098084143 222228102 /nfs/dbraw/zinc/22/81/02/222228102.db2.gz PJEVYNWMKMULAE-JQBYJRRVSA-N 1 0 372.468 2.974 1 0 FFAFRO CC[NH+]1CCN(CC(=O)N2CCC[C@H](CCc3ccccc3C)C2)CC1 ZINC000020167869 521673190 /nfs/dbraw/zinc/67/31/90/521673190.db2.gz XXSYTWNGCLAEQA-HXUWFJFHSA-N 1 0 357.542 2.804 1 0 FFAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@H]2C[C@H](c1ccccc1)[C@H](O)[C@@H]3O5 ZINC000013780679 220094896 /nfs/dbraw/zinc/09/48/96/220094896.db2.gz ZLDWSBNUJAMVSC-SJBGRVAXSA-N 1 0 363.457 2.816 1 0 FFAFRO CC(C)[NH2+]C[C@H](O)COc1ccc(Cc2nc(Br)c[nH]2)cc1 ZINC000026019685 220502329 /nfs/dbraw/zinc/50/23/29/220502329.db2.gz GSYRQGVSSCQGOF-ZDUSSCGKSA-N 1 0 368.275 2.501 1 0 FFAFRO COc1cc2ncn(-c3cccc(NC4CC[NH2+]CC4)n3)c2cc1OC ZINC000029044960 220593212 /nfs/dbraw/zinc/59/32/12/220593212.db2.gz BKIZATACJFMGCX-UHFFFAOYSA-N 1 0 353.426 2.602 1 0 FFAFRO c1nc2ncnc(N3CCC4(CC[C@@H](Cc5ccccc5)C[NH2+]4)CC3)c2[nH]1 ZINC000096910997 132226129 /nfs/dbraw/zinc/22/61/29/132226129.db2.gz YKKDWWUEJJZKOW-KRWDZBQOSA-N 1 0 362.481 2.934 1 0 FFAFRO Cn1c2ccc(S(=O)(=O)c3ccncc3)cc2c2c1C[C@@H]1CC[C@H]2[NH2+]1 ZINC000082154301 221707283 /nfs/dbraw/zinc/70/72/83/221707283.db2.gz ZYXCONLULJQDHW-BLLLJJGKSA-N 1 0 353.447 2.755 1 0 FFAFRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cnccn4)C3)C2)c1 ZINC000012478361 220000402 /nfs/dbraw/zinc/00/04/02/220000402.db2.gz VFENEHUNINHEJR-OAQYLSRUSA-N 1 0 366.465 2.614 1 0 FFAFRO [NH3+]CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 ZINC000013534265 220072345 /nfs/dbraw/zinc/07/23/45/220072345.db2.gz ZUHDKSXKMLQBAW-APWZRJJASA-N 1 0 352.425 2.507 1 0 FFAFRO CCCn1c(=O)cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000013731406 220090544 /nfs/dbraw/zinc/09/05/44/220090544.db2.gz XOUOEUATRAFRCX-MQVJKMGUSA-N 1 0 353.466 2.767 1 0 FFAFRO CCN(CC)CC1(C[NH+](CC)CC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295168 221044662 /nfs/dbraw/zinc/04/46/62/221044662.db2.gz AQFQYHOCZRDZBP-UHFFFAOYSA-N 1 0 364.486 2.701 1 0 FFAFRO O=C(c1cncc(F)c1)C1CC[NH+]([C@@H]2Cc3ccccc3C[C@H]2O)CC1 ZINC000096273572 222108023 /nfs/dbraw/zinc/10/80/23/222108023.db2.gz HOTVFJCXEBPMNH-WOJBJXKFSA-N 1 0 354.425 2.644 1 0 FFAFRO c1nc2ccc(NC3CC[NH2+]CC3)nn2c1-c1cnn(-c2ccccc2)c1 ZINC000096937458 222144001 /nfs/dbraw/zinc/14/40/01/222144001.db2.gz RUELNBPHROFCEJ-UHFFFAOYSA-N 1 0 359.437 2.746 1 0 FFAFRO CC1(C)[C@@H]2CC[C@@]1([C@H](O)C[NH+]1CCN(c3ccc(F)cc3)CC1)C(=O)C2 ZINC000169333726 535038101 /nfs/dbraw/zinc/03/81/01/535038101.db2.gz VDGABWROYPUGDF-VMRPVKRXSA-N 1 0 360.473 2.704 1 0 FFAFRO C[C@@H](O)[C@H]1C[NH+]=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013662161 220081520 /nfs/dbraw/zinc/08/15/20/220081520.db2.gz JMZJFYUZEADBKF-PRHODGIISA-N 1 0 369.309 2.646 3 0 FFAFRO Cn1cc(-c2cnn3c2nc([C@H]2CCC[NH2+]C2)c(-c2ccccc2)c3N)cn1 ZINC000060327277 221129206 /nfs/dbraw/zinc/12/92/06/221129206.db2.gz BPTHRKUALRLORQ-HNNXBMFYSA-N 1 0 373.464 2.846 1 0 FFAFRO CCN1c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2OCC1=O ZINC000103249208 132237161 /nfs/dbraw/zinc/23/71/61/132237161.db2.gz YDDHPYODGSUXJV-UHFFFAOYSA-N 1 0 351.450 2.754 1 0 FFAFRO CCC[N@@H+]1C[C@H](Cn2cc(Cl)cn2)O[C@@H]2Cc3c(O)cccc3C[C@H]21 ZINC000103224192 222326690 /nfs/dbraw/zinc/32/66/90/222326690.db2.gz DUNOZWJTXYEGAT-SZVBFZGTSA-N 1 0 361.873 2.889 1 0 FFAFRO Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)[N@@H+](C2CCCCC2)CC[C@]314 ZINC000169347665 222565222 /nfs/dbraw/zinc/56/52/22/222565222.db2.gz NTRNFOZMJHPTHK-HIFDQRORSA-N 1 0 353.462 2.901 1 0 FFAFRO CC1(C)O[C@@]2([C@@H]3C[C@H](Cc4ccc(N)nc4)C[C@H](CO)C3)CC[C@@H]1[C@@H]([NH3+])C2 ZINC000085543246 291057842 /nfs/dbraw/zinc/05/78/42/291057842.db2.gz ZVWAIVBUSQDSJF-PFGOBXOBSA-N 1 0 373.541 2.906 1 0 biogenic,in-vitro FFAFRO CCC[NH2+]Cc1cc(NC(=O)Nc2cccc3c2[C@@H]2CCCN2C3=O)n[nH]1 ZINC000013471126 220068599 /nfs/dbraw/zinc/06/85/99/220068599.db2.gz WADJTGRQJNOIJS-HNNXBMFYSA-N 1 0 368.441 2.844 1 0 FFAFRO Cc1cccc(CN2CCC[C@@](O)(C[N@@H+]3CCc4ccccc4C3)C2=O)c1 ZINC000019795044 220299233 /nfs/dbraw/zinc/29/92/33/220299233.db2.gz OTUXOWFFWOIXKM-HSZRJFAPSA-N 1 0 364.489 2.907 1 0 FFAFRO Fc1cccc([C@@]2(C[NH+]3CCC(Oc4ncccn4)CC3)CCOC2)c1 ZINC000020821541 263382775 /nfs/dbraw/zinc/38/27/75/263382775.db2.gz GQSRALPCGPABHC-HXUWFJFHSA-N 1 0 357.429 2.817 1 0 FFAFRO Fc1cccc([C@]2(C[NH+]3CCN(Cc4ccncc4)CC3)CCOC2)c1 ZINC000019789733 526399107 /nfs/dbraw/zinc/39/91/07/526399107.db2.gz DSCABZWAXJUBNP-NRFANRHFSA-N 1 0 355.457 2.697 1 0 FFAFRO O=C(N[C@H]1CC[NH2+]C1)c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1 ZINC000013588776 220076962 /nfs/dbraw/zinc/07/69/62/220076962.db2.gz XINNQVHBRVROQD-INIZCTEOSA-N 1 0 372.428 2.768 1 0 FFAFRO COC(=O)C1=CO[C@@H](C)[C@H]2C=[N+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000013826677 220096655 /nfs/dbraw/zinc/09/66/55/220096655.db2.gz GLAUMTZDPSIAGG-XJTZBENFSA-N 1 0 351.426 2.960 1 0 FFAFRO CNC(=O)Nc1c(OC)c2ccoc2c(OC)c1OCCC[NH+](C)C ZINC000029406643 220604463 /nfs/dbraw/zinc/60/44/63/220604463.db2.gz GOFGGKDGGPVRFA-UHFFFAOYSA-N 1 0 351.403 2.532 1 0 FFAFRO O=C1[C@H]2CCCN2C(=O)N1CCCCC[NH2+]C[C@H]1CCc2ccccc2O1 ZINC000073277201 221563576 /nfs/dbraw/zinc/56/35/76/221563576.db2.gz ZWHWNKJCWDLNRI-QZTJIDSGSA-N 1 0 371.481 2.567 1 0 FFAFRO C[NH+]1CCC(Cn2nc(-c3ccc4ccccc4c3)c(C(N)=O)c2N)CC1 ZINC000103252515 222329209 /nfs/dbraw/zinc/32/92/09/222329209.db2.gz VZGULHBHJBIHDH-UHFFFAOYSA-N 1 0 363.465 2.726 1 0 FFAFRO C[C@@]1(c2nc3c(cccc3C(N)=O)[nH]2)CC[N@H+](Cc2ccccc2F)C1 ZINC000040424265 581092439 /nfs/dbraw/zinc/09/24/39/581092439.db2.gz BCCUYXQTHHGUHR-HXUWFJFHSA-N 1 0 352.413 2.965 1 0 FFAFRO COC(=O)[C@@]12C[C@@H](O)CC[C@H]1C[N@@H+]1CCc3c4ccccc4[nH]c3[C@@H]1C2 ZINC000095098756 291060667 /nfs/dbraw/zinc/06/06/67/291060667.db2.gz DJYUVQHOELNJST-RTXMHDOLSA-N 1 0 354.450 2.791 1 0 biogenic,in-vitro FFAFRO O=C(c1ccoc1)N1CCCCN[C@@H](c2ccccc2)CC(=O)NCCC1 ZINC000014652487 291064255 /nfs/dbraw/zinc/06/42/55/291064255.db2.gz CNJPJUFFFBTCBZ-LJQANCHMSA-N 1 0 369.465 2.743 1 0 biogenic,in-vitro FFAFRO [NH3+][C@@H](C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1 ZINC000028456679 220576852 /nfs/dbraw/zinc/57/68/52/220576852.db2.gz MRDSKNIFGPJOPB-GOEBONIOSA-N 1 0 357.479 2.988 1 0 FFAFRO O=C(Nc1ccccc1N1CC[NH2+]CC1)c1csc(-c2cc[nH]c2)n1 ZINC000084670489 132199246 /nfs/dbraw/zinc/19/92/46/132199246.db2.gz GPWJKVHNRZOLKW-UHFFFAOYSA-N 1 0 353.451 2.800 1 0 FFAFRO CNc1nc2c(cc(-c3ccc(F)cc3)n2C)c(N2CC[NH+](C)CC2)n1 ZINC000095597993 132215849 /nfs/dbraw/zinc/21/58/49/132215849.db2.gz LFLWAGUKOBXGQS-UHFFFAOYSA-N 1 0 354.433 2.568 1 0 FFAFRO CCC[N@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2n[nH]cc2C1 ZINC000040893898 136120575 /nfs/dbraw/zinc/12/05/75/136120575.db2.gz LHOJVHKKDRWEEV-NRFANRHFSA-N 1 0 367.541 2.801 1 0 in-vivo FFAFRO O=C(Nc1ccnc(NC(=O)C2C[NH2+]C2)c1)c1c(Cl)cccc1Cl ZINC000096282839 222110521 /nfs/dbraw/zinc/11/05/21/222110521.db2.gz MMBLAAATOOQWJF-UHFFFAOYSA-N 1 0 365.220 2.799 1 0 FFAFRO O=C1[C@H]2[C@H](C(=O)N1CC1CC[NH2+]CC1)C1c3ccccc3C2c2ccccc21 ZINC000098082195 222226967 /nfs/dbraw/zinc/22/69/67/222226967.db2.gz AZNTUSCWIJJAIH-LIKPIUCQSA-N 1 0 372.468 2.878 1 0 FFAFRO Cc1[nH]n(-c2ccccc2)c2nc(C(C)(C)C[NH+]3CCN(C)CC3)nc1-2 ZINC000019885597 220303151 /nfs/dbraw/zinc/30/31/51/220303151.db2.gz PXOBUPZNARVDPQ-UHFFFAOYSA-N 1 0 352.486 2.582 1 0 FFAFRO CCC(CC)C[NH+]1CCC(CN2C(=O)C(=O)NC[C@@H]2[C@@H](C)CC)CC1 ZINC000061936128 221137656 /nfs/dbraw/zinc/13/76/56/221137656.db2.gz BCWKZZRLCCSXSP-MAUKXSAKSA-N 1 0 351.535 2.508 3 0 FFAFRO CCOc1ccc(-n2nc3c(c2C)c(C)nnc3N2CC[NH+](C)CC2)cc1 ZINC000072108755 136141880 /nfs/dbraw/zinc/14/18/80/136141880.db2.gz JCYSWCIWXSTHOB-UHFFFAOYSA-N 1 0 366.469 2.583 1 0 FFAFRO